A0A077ZAA8_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZAA8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,009 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
1M26.2Very low35.1Very low249 Ų24988.8 Ų88.8100%1.22743%0.431SS*.  087.50-67.4178.5179.300108.8
2R25.7Very low35.6Very low236 Ų23685.1 Ų85.189%0.89142%0.415SS*.  trans-11717.5-175-101.8-170.9-174.7-178.21.9113.7
3Y29.4Very low36Very low181 Ų18179.5 Ų79.571%0.7139%0.389SS*.  trans-129.682.6177.1-67.5-85.4000111.1S5 S6Y3-S5 VanDerWaalsContact C-N 3.33Å; Y3-S6 WeakPolarHBondContact CB-OG 3.23Å; Y3-S6 PolarHBondContact O-OG 3.23Å
4P33Very low36.4Very low71 Ų7174.4 Ų74.446%0.46137%0.366SS..SBendtrans-78.3-12.9173.827.8-30.8000113.6S7P4-S7 PolarHBondContact O-OG 3.41Å
5S33.2Very low36.8Very low75 Ų7571.3 Ų71.352%0.52435%0.351SS..Hα-helixtrans-73.1-32.7171.148.20000112.6Y3 H9Y3-S5 VanDerWaalsContact C-N 3.33Å; S5-H9 WeakPolarHBondContact O-CB 3.45Å; S5-H9 PolarHBondContact O-N 3.36Å
6S36.6Very low36.9Very low28 Ų2869.2 Ų69.220%0.19635%0.348CS..Hα-helixtrans-76.9-21.6-176.946.60000114.4Y3 F10Y3-S6 WeakPolarHBondContact CB-OG 3.23Å; Y3-S6 PolarHBondContact O-OG 3.23Å; S6-F10 VanDerWaalsContact O-CB 3.32Å; S6-F10 WeakPolarHBondContact O-CB 3.46Å; S6-F10 PolarHBondContact O-N 3.02Å
7S37.6Very low37.1Very low34 Ų3468.2 Ų68.224%0.23834%0.342CS..Hα-helixtrans-76.8-36.7176.549.60000112.6P4 H9 F10 V11P4-S7 PolarHBondContact O-OG 3.41Å; S7-H9 VanDerWaalsContact C-N 3.35Å; S7-F10 WeakPolarHBondContact O-CB 3.41Å; S7-F10 PolarHBondContact O-N 2.87Å; S7-V11 WeakPolarHBondContact O-CG2 3.49Å; S7-V11 PolarHBondContact O-N 3.3Å
8L38.5Very low37.2Very low5 Ų568.4 Ų68.43%0.02634%0.344CS..Hα-helixtrans-70.5-36.5172.9-133.8107.3000111.3F10 V11 N12 F340 K343 Q362L8-F10 VanDerWaalsContact C-N 3.34Å; L8-V11 PolarHBondContact O-N 3.23Å; L8-N12 WeakPolarHBondContact O-CB 3.42Å; L8-N12 PolarHBondContact O-N 3.31Å; L8-F340 HydrophobicContact CD1-CD1 3.66Å; L8-F340 HydrophobicContact CD1-CE1 3.55Å; L8-F340 HydrophobicContact CD1-CG 4.32Å; L8-F340 HydrophobicContact CD1-CZ 4.09Å; L8-F340 HydrophobicContact CD2-CD1 4.49Å; L8-F340 HydrophobicContact CD2-CE1 3.64Å; L8-F340 HydrophobicContact CD2-CZ 4.09Å; L8-F340 HydrophobicContact CG-CE1 4Å; L8-F340 HydrophobicContact CG-CZ 4.28Å; L8-K343 HydrophobicContact CD1-CD 4.38Å; L8-Q362 HydrophobicContact CD2-CG 4.35Å
9H41.9Very low37.1Very low44 Ų4466.8 Ų66.820%0.20434%0.336CS..Hα-helixtrans-65-39170.8-173.770.7000111.3S5 S7 N12 V13 Y150 G151 Y153S5-H9 WeakPolarHBondContact O-CB 3.45Å; S5-H9 PolarHBondContact O-N 3.36Å; S7-H9 VanDerWaalsContact C-N 3.35Å; H9-N12 PolarHBondContact O-N 3.48Å; H9-V13 VanDerWaalsContact CE1-CG2 3.43Å; H9-V13 WeakPolarHBondContact CE1-CG2 3.4Å; H9-V13 WeakPolarHBondContact NE2-CG2 3.13Å; H9-V13 WeakPolarHBondContact O-CB 3.24Å; H9-V13 WeakPolarHBondContact O-CG2 3.41Å; H9-V13 PolarHBondContact O-N 3.3Å; H9-Y150 PolarHBondContact NE2-O 2.82Å; H9-G151 WeakPolarHBondContact NE2-CA 3.31Å; H9-Y153 AromaticContact CE1-CE2 3.73Å
10F41.5Very low37.1Very low36 Ų3664.4 Ų64.416%0.15833%0.325CS..Hα-helixtrans-60.7-45172.1179.1-92.7000111.9S6 S7 L8 V13 A14 F81 H82S6-F10 VanDerWaalsContact O-CB 3.32Å; S6-F10 WeakPolarHBondContact O-CB 3.46Å; S6-F10 PolarHBondContact O-N 3.02Å; S7-F10 WeakPolarHBondContact O-CB 3.41Å; S7-F10 PolarHBondContact O-N 2.87Å; L8-F10 VanDerWaalsContact C-N 3.34Å; F10-V13 PolarHBondContact O-N 3Å; F10-A14 HydrophobicContact CE1-CB 4.29Å; F10-A14 HydrophobicContact CZ-CB 4.43Å; F10-A14 WeakPolarHBondContact O-CA 3.41Å; F10-A14 WeakPolarHBondContact O-CB 3.48Å; F10-A14 PolarHBondContact O-N 3.46Å; F10-F81 HydrophobicContact CD2-CE1 4.08Å; F10-F81 AromaticContact CE2-CD1 3.62Å; F10-F81 HydrophobicContact CE2-CD1 3.62Å; F10-F81 AromaticContact CE2-CE1 3.61Å; F10-F81 HydrophobicContact CE2-CE1 3.61Å; F10-F81 HydrophobicContact CZ-CD1 4.31Å; F10-H82 AromaticContact CD2-CE1 3.73Å; F10-H82 AromaticContact CD2-ND1 3.84Å; F10-H82 AromaticContact CE1-CE1 3.42Å; F10-H82 VanDerWaalsContact CE1-CE1 3.42Å; F10-H82 WeakPolarHBondContact CE1-CE1 3.43Å; F10-H82 AromaticContact CE1-NE2 3.79Å; F10-H82 AromaticContact CE2-CE1 3.05Å; F10-H82 WeakPolarHBondContact CE2-CE1 3.15Å; F10-H82 AromaticContact CE2-CG 4Å; F10-H82 AromaticContact CE2-ND1 3.25Å; F10-H82 VanDerWaalsContact CE2-ND1 3.25Å; F10-H82 WeakPolarHBondContact CE2-ND1 3.26Å; F10-H82 AromaticContact CE2-NE2 3.67Å; F10-H82 AromaticContact CZ-CE1 2.91Å; F10-H82 WeakPolarHBondContact CZ-CE1 3.17Å; F10-H82 AromaticContact CZ-ND1 3.62Å; F10-H82 AromaticContact CZ-NE2 3.17Å; F10-H82 WeakPolarHBondContact CZ-NE2 3.33Å
11V43Very low37Very low18 Ų1864.4 Ų64.411%0.10932%0.324CS..Hα-helixtrans-64.6-43.6175.1168.80000111.3S7 L8 L15 C336 L339S7-V11 WeakPolarHBondContact O-CG2 3.49Å; S7-V11 PolarHBondContact O-N 3.3Å; L8-V11 PolarHBondContact O-N 3.23Å; V11-L15 HydrophobicContact CG1-CD1 3.68Å; V11-L15 HydrophobicContact CG1-CG 4.38Å; V11-L15 WeakPolarHBondContact O-CA 3.37Å; V11-L15 WeakPolarHBondContact O-CB 3.46Å; V11-L15 VanDerWaalsContact O-CG 3.23Å; V11-L15 WeakPolarHBondContact O-CG 3.17Å; V11-L15 PolarHBondContact O-N 3.45Å; V11-C336 VanDerWaalsContact CG1-SG 3.53Å; V11-L339 HydrophobicContact CG2-CD1 3.96Å
12N40.7Very low37.6Very low44 Ų4455.2 Ų55.224%0.23528%0.28CS..Hα-helixtrans-68.6-34.5177.9-78.91000112.8L8 H9 A16 Q362L8-N12 WeakPolarHBondContact O-CB 3.42Å; L8-N12 PolarHBondContact O-N 3.31Å; H9-N12 PolarHBondContact O-N 3.48Å; N12-A16 WeakPolarHBondContact O-CA 3.16Å; N12-A16 WeakPolarHBondContact O-CB 3.43Å; N12-A16 PolarHBondContact O-N 3.47Å; N12-Q362 PolarHBondContact ND2-NE2 2.95Å
13V40.8Very low38.1Very low12 Ų1249.4 Ų49.47%0.07326%0.263CS..Hα-helixtrans-78.1-40.1176.5169.60000110.5H9 F10 A16 Q17 F81H9-V13 VanDerWaalsContact CE1-CG2 3.43Å; H9-V13 WeakPolarHBondContact CE1-CG2 3.4Å; H9-V13 WeakPolarHBondContact NE2-CG2 3.13Å; H9-V13 WeakPolarHBondContact O-CB 3.24Å; H9-V13 WeakPolarHBondContact O-CG2 3.41Å; H9-V13 PolarHBondContact O-N 3.3Å; F10-V13 PolarHBondContact O-N 3Å; V13-A16 PolarHBondContact O-N 2.93Å; V13-Q17 HydrophobicContact CG1-CG 4.23Å; V13-Q17 WeakPolarHBondContact O-CB 3.24Å; V13-Q17 WeakPolarHBondContact O-CG 3.39Å; V13-Q17 PolarHBondContact O-N 2.92Å; V13-F81 HydrophobicContact CG1-CZ 3.98Å
14A42.1Very low38.4Very low8 Ų842.6 Ų42.67%0.06624%0.238CC..Hα-helixtrans-64.9-46174.100000110.5F10 I18 I76F10-A14 HydrophobicContact CE1-CB 4.29Å; F10-A14 HydrophobicContact CZ-CB 4.43Å; F10-A14 WeakPolarHBondContact O-CA 3.41Å; F10-A14 WeakPolarHBondContact O-CB 3.48Å; F10-A14 PolarHBondContact O-N 3.46Å; A14-I18 WeakPolarHBondContact O-CB 3.3Å; A14-I18 VanDerWaalsContact O-CD1 3.29Å; A14-I18 WeakPolarHBondContact O-CD1 3.39Å; A14-I18 WeakPolarHBondContact O-CG1 3.5Å; A14-I18 PolarHBondContact O-N 3.3Å; A14-I76 HydrophobicContact CB-CG2 3.68Å
15L42.1Very low38.4Very low29 Ų2942.3 Ų42.315%0.15224%0.235CC..Hα-helixtrans-60.4-58.7169.4-74.4167.2000108.9V11 Q17 I18 L19 L332 L365V11-L15 HydrophobicContact CG1-CD1 3.68Å; V11-L15 HydrophobicContact CG1-CG 4.38Å; V11-L15 WeakPolarHBondContact O-CA 3.37Å; V11-L15 WeakPolarHBondContact O-CB 3.46Å; V11-L15 VanDerWaalsContact O-CG 3.23Å; V11-L15 WeakPolarHBondContact O-CG 3.17Å; V11-L15 PolarHBondContact O-N 3.45Å; L15-Q17 PolarHBondContact O-N 3.32Å; L15-Q17 VanDerWaalsContact O-N 3.08Å; L15-I18 CarbonylContact O-C 3.59Å; L15-I18 WeakPolarHBondContact O-CA 3.36Å; L15-I18 WeakPolarHBondContact O-CB 3.43Å; L15-I18 PolarHBondContact O-N 2.72Å; L15-L19 HydrophobicContact CB-CD1 4.48Å; L15-L19 HydrophobicContact CB-CD2 4.44Å; L15-L19 HydrophobicContact CD2-CD2 4.43Å; L15-L19 WeakPolarHBondContact O-CD2 3.4Å; L15-L19 WeakPolarHBondContact O-CG 3.48Å; L15-L19 PolarHBondContact O-N 3.38Å; L15-L332 HydrophobicContact CD2-CD2 4.42Å; L15-L365 HydrophobicContact CD1-CD1 4.07Å; L15-L365 HydrophobicContact CD1-CD2 3.71Å
16A38Very low38.3Very low37 Ų3741.8 Ų41.831%0.30623%0.231SC..Hα-helixtrans-54.7-32.9-179.400000114.3N12 V13 L19 V20N12-A16 WeakPolarHBondContact O-CA 3.16Å; N12-A16 WeakPolarHBondContact O-CB 3.43Å; N12-A16 PolarHBondContact O-N 3.47Å; V13-A16 PolarHBondContact O-N 2.93Å; A16-L19 PolarHBondContact O-N 3.23Å; A16-V20 WeakPolarHBondContact O-CA 3.4Å; A16-V20 WeakPolarHBondContact O-CB 3.35Å; A16-V20 PolarHBondContact O-N 2.95Å
17Q39.8Very low38.2Very low52 Ų5242.4 Ų42.424%0.24323%0.23CC..Hα-helixtrans-76.6-24.5172.3-75.2175.8-10.300113.2V13 L15V13-Q17 HydrophobicContact CG1-CG 4.23Å; V13-Q17 WeakPolarHBondContact O-CB 3.24Å; V13-Q17 WeakPolarHBondContact O-CG 3.39Å; V13-Q17 PolarHBondContact O-N 2.92Å; L15-Q17 PolarHBondContact O-N 3.32Å; L15-Q17 VanDerWaalsContact O-N 3.08Å
18I38.7Very low38Very low72 Ų7248.3 Ų48.337%0.36926%0.259SS..Hα-helixtrans-72.9-40.5163.8-67.4158.8000110.8A14 L15 I76A14-I18 WeakPolarHBondContact O-CB 3.3Å; A14-I18 VanDerWaalsContact O-CD1 3.29Å; A14-I18 WeakPolarHBondContact O-CD1 3.39Å; A14-I18 WeakPolarHBondContact O-CG1 3.5Å; A14-I18 PolarHBondContact O-N 3.3Å; L15-I18 CarbonylContact O-C 3.59Å; L15-I18 WeakPolarHBondContact O-CA 3.36Å; L15-I18 WeakPolarHBondContact O-CB 3.43Å; L15-I18 PolarHBondContact O-N 2.72Å; I18-I76 HydrophobicContact CB-CD1 4.42Å; I18-I76 HydrophobicContact CD1-CB 4.37Å; I18-I76 HydrophobicContact CD1-CD1 4.08Å; I18-I76 HydrophobicContact CD1-CG1 4.15Å; I18-I76 HydrophobicContact CD1-CG2 4.17Å; I18-I76 HydrophobicContact CG1-CB 4.37Å; I18-I76 HydrophobicContact CG1-CD1 3.25Å; I18-I76 HydrophobicContact CG1-CG1 3.64Å
19L35.9Very low37.8Very low39 Ų3950.6 Ų50.620%0.20427%0.268CS..Hα-helixtrans-84.3-25.4-171.9-37-178.5000112.6L15 A16 V267 Y299L15-L19 HydrophobicContact CB-CD1 4.48Å; L15-L19 HydrophobicContact CB-CD2 4.44Å; L15-L19 HydrophobicContact CD2-CD2 4.43Å; L15-L19 WeakPolarHBondContact O-CD2 3.4Å; L15-L19 WeakPolarHBondContact O-CG 3.48Å; L15-L19 PolarHBondContact O-N 3.38Å; A16-L19 PolarHBondContact O-N 3.23Å; L19-V267 HydrophobicContact CD1-CG1 3.86Å; L19-Y299 HydrophobicContact CB-CE1 3.99Å; L19-Y299 HydrophobicContact CB-CE2 4.01Å; L19-Y299 VanDerWaalsContact CD1-OH 3.26Å; L19-Y299 WeakPolarHBondContact CD1-OH 3.47Å; L19-Y299 HydrophobicContact CD2-CD2 4.21Å; L19-Y299 HydrophobicContact CD2-CE2 3.16Å; L19-Y299 WeakPolarHBondContact CD2-OH 3.45Å; L19-Y299 HydrophobicContact CG-CE2 4Å; L19-Y299 WeakPolarHBondContact CG-OH 3.31Å
20V36.9Very low37.4Very low17 Ų1750.8 Ų50.810%0.10328%0.281CS..  trans-135101.8179.5-173.30000105.8A16 D22A16-V20 WeakPolarHBondContact O-CA 3.4Å; A16-V20 WeakPolarHBondContact O-CB 3.35Å; A16-V20 PolarHBondContact O-N 2.95Å; V20-D22 PolarHBondContact O-N 3.38Å
21E36.4Very low37.1Very low65 Ų6553 Ų5330%0.30429%0.289SS..  trans-59.584.5155.2-80.7-178.4156.300105.9E23 S295E21-E23 PolarHBondContact O-N 2.62Å; E21-S295 VanDerWaalsContact OE2-CB 3.28Å; E21-S295 WeakPolarHBondContact OE2-CB 3.38Å; E21-S295 PolarHBondContact OE2-OG 3.06Å
22D38.4Very low36.5Very low56 Ų5656 Ų5630%0.29931%0.309SS..  trans-62.491.2163.1-85.6-45.1000105.3V20 L24 R187V20-D22 PolarHBondContact O-N 3.38Å; D22-L24 PolarHBondContact O-N 3.29Å; D22-R187 IonicContact OD1-CZ 2.64Å; D22-R187 IonicContact OD1-NH1 3.99Å; D22-R187 PolarHBondContact OD1-NH1 2.88Å; D22-R187 IonicContact OD1-NH2 2.88Å; D22-R187 IonicContact OD2-CZ 3.09Å; D22-R187 IonicContact OD2-NH1 3.95Å; D22-R187 PolarHBondContact OD2-NH1 2.54Å; D22-R187 IonicContact OD2-NH2 2.71Å; D22-R187 PolarHBondContact OD2-NH2 2.8Å
23E35.8Very low36.1Very low115 Ų11561.4 Ų61.454%0.53734%0.337SS..  -52.779.9125.9-73.9-171.5174.100105.3E21 V25E21-E23 PolarHBondContact O-N 2.62Å; E23-V25 PolarHBondContact O-N 3.34Å
24L34.6Very low35.7Very low37 Ų3763.2 Ų63.219%0.19435%0.351CS..  trans-49100.8143.5-97163.4000101.3D22 C26 T145 Q149D22-L24 PolarHBondContact O-N 3.29Å; L24-C26 PolarHBondContact O-N 3.18Å; L24-T145 HydrophobicContact CD1-CG2 4.26Å; L24-T145 HydrophobicContact CD2-CG2 3.96Å; L24-Q149 HydrophobicContact CD1-CB 3.82Å; L24-Q149 HydrophobicContact CD1-CG 3.75Å
25V33.9Very low35.3Very low66 Ų6665.5 Ų65.540%0.436%0.361SS..  trans-50.6104.9172.8178.70000102.1E23 F27E23-V25 PolarHBondContact O-N 3.34Å; V25-F27 HydrophobicContact CB-CD2 3.55Å; V25-F27 HydrophobicContact CB-CE1 4.43Å; V25-F27 HydrophobicContact CB-CE2 3.43Å; V25-F27 VanDerWaalsContact CB-CE2 3.43Å; V25-F27 HydrophobicContact CB-CG 4.14Å; V25-F27 HydrophobicContact CB-CZ 3.9Å; V25-F27 HydrophobicContact CG1-CB 4.42Å; V25-F27 HydrophobicContact CG1-CD1 3.57Å; V25-F27 HydrophobicContact CG1-CD2 3.46Å; V25-F27 VanDerWaalsContact CG1-CD2 3.46Å; V25-F27 HydrophobicContact CG1-CE1 3.59Å; V25-F27 HydrophobicContact CG1-CE2 3.49Å; V25-F27 VanDerWaalsContact CG1-CE2 3.49Å; V25-F27 HydrophobicContact CG1-CG 3.51Å; V25-F27 HydrophobicContact CG1-CZ 3.55Å; V25-F27 HydrophobicContact CG2-CE2 4.12Å; V25-F27 HydrophobicContact CG2-CZ 4.31Å; V25-F27 VanDerWaalsContact O-CD2 3.32Å; V25-F27 WeakPolarHBondContact O-CD2 2.78Å; V25-F27 PolarHBondContact O-N 3.24Å
26C31.9Very low35Very low64 Ų6471.3 Ų71.343%0.43239%0.388SS..  trans-65.976.8167.1-79.40000101.9L24 D28L24-C26 PolarHBondContact O-N 3.18Å; C26-D28 PolarHBondContact O-N 3.47Å
27F33.6Very low34.8Very low41 Ų4180.3 Ų80.318%0.1841%0.414CS..  trans-63.3106.8172.1-78.7-77.3000101.9V25 Y29 C180V25-F27 HydrophobicContact CB-CD2 3.55Å; V25-F27 HydrophobicContact CB-CE1 4.43Å; V25-F27 HydrophobicContact CB-CE2 3.43Å; V25-F27 VanDerWaalsContact CB-CE2 3.43Å; V25-F27 HydrophobicContact CB-CG 4.14Å; V25-F27 HydrophobicContact CB-CZ 3.9Å; V25-F27 HydrophobicContact CG1-CB 4.42Å; V25-F27 HydrophobicContact CG1-CD1 3.57Å; V25-F27 HydrophobicContact CG1-CD2 3.46Å; V25-F27 VanDerWaalsContact CG1-CD2 3.46Å; V25-F27 HydrophobicContact CG1-CE1 3.59Å; V25-F27 HydrophobicContact CG1-CE2 3.49Å; V25-F27 VanDerWaalsContact CG1-CE2 3.49Å; V25-F27 HydrophobicContact CG1-CG 3.51Å; V25-F27 HydrophobicContact CG1-CZ 3.55Å; V25-F27 HydrophobicContact CG2-CE2 4.12Å; V25-F27 HydrophobicContact CG2-CZ 4.31Å; V25-F27 VanDerWaalsContact O-CD2 3.32Å; V25-F27 WeakPolarHBondContact O-CD2 2.78Å; V25-F27 PolarHBondContact O-N 3.24Å; F27-Y29 WeakPolarHBondContact O-CD2 3.22Å; F27-Y29 PolarHBondContact O-N 3.03Å; F27-C180 HydrophobicContact CB-CB 4.44Å; F27-C180 WeakPolarHBondContact CB-SG 3.45Å; F27-C180 HydrophobicContact CD2-CB 4.15Å; F27-C180 WeakPolarHBondContact CD2-SG 3.42Å; F27-C180 HydrophobicContact CG-CB 4.46Å; F27-C180 WeakPolarHBondContact CG-SG 3.46Å
28D34.1Very low34.7Very low157 Ų15782 Ų8284%0.8442%0.424SS*.  trans-51100.1172.3-137.4-11.4000104.4C26 G30C26-D28 PolarHBondContact O-N 3.47Å; D28-G30 PolarHBondContact O-N 3.22Å
29Y34.6Very low34.4Very low54 Ų5486 Ų8621%0.21244%0.441CS..  trans-74.147.8-173.8-83.4-80.8000108.2F27 Y31 P141 T145 P177 C180F27-Y29 WeakPolarHBondContact O-CD2 3.22Å; F27-Y29 PolarHBondContact O-N 3.03Å; Y29-Y31 WeakPolarHBondContact O-CA 3.32Å; Y29-Y31 PolarHBondContact O-N 2.94Å; Y29-P141 HydrophobicContact CD1-CB 4.37Å; Y29-P141 HydrophobicContact CE1-CB 4.03Å; Y29-T145 PolarHBondContact OH-OG1 2.63Å; Y29-P177 HydrophobicContact CD1-CB 4.33Å; Y29-C180 HydrophobicContact CE1-CB 3.72Å
30G32.8Very low34.3Very low48 Ų4886.7 Ų86.750%0.49546%0.457SS..  trans19.758.8-176.800000112.2D28 P32D28-G30 PolarHBondContact O-N 3.22Å; G30-P32 WeakPolarHBondContact O-CD 3.39Å
31Y34.8Very low34.2Very low82 Ų8298.1 Ų98.132%0.32250%0.498SS..  trans-73.6120.3-174.3-134.3-92.4000105Y29 L33 L35 L56 L138Y29-Y31 WeakPolarHBondContact O-CA 3.32Å; Y29-Y31 PolarHBondContact O-N 2.94Å; Y31-L33 PolarHBondContact O-N 3.34Å; Y31-L35 HydrophobicContact CE1-CD1 3.79Å; Y31-L56 HydrophobicContact CE1-CD1 4.49Å; Y31-L56 VanDerWaalsContact OH-CD1 3.26Å; Y31-L56 WeakPolarHBondContact OH-CD1 3.42Å; Y31-L138 WeakPolarHBondContact OH-CB 3.49Å
32P30Very low34.2Very low81 Ų81100.1 Ų100.153%0.52651%0.511SS..  trans-62.6132.1175.327.4-30.7000106.1G30 S34G30-P32 WeakPolarHBondContact O-CD 3.39Å; P32-S34 WeakPolarHBondContact CB-OG 3.49Å; P32-S34 VanDerWaalsContact CG-OG 3.24Å; P32-S34 WeakPolarHBondContact CG-OG 3.5Å; P32-S34 PolarHBondContact O-N 3.24Å
33L32Very low34.4Very low157 Ų157102.2 Ų102.282%0.82253%0.53SS*.THydrogen-bonded Turntrans-53.521.9161.4-78.1146.5000113Y31Y31-L33 PolarHBondContact O-N 3.34Å
34S33Very low34.6Very low51 Ų51106.5 Ų106.536%0.35754%0.542SS..THydrogen-bonded Turntrans-92.5-8-172.565.10000114.1P32 E36 R37P32-S34 WeakPolarHBondContact CB-OG 3.49Å; P32-S34 VanDerWaalsContact CG-OG 3.24Å; P32-S34 WeakPolarHBondContact CG-OG 3.5Å; P32-S34 PolarHBondContact O-N 3.24Å; S34-E36 PolarHBondContact O-N 3.41Å; S34-R37 PolarHBondContact O-N 2.96Å
35L34.8Very low34.9Very low55 Ų55110.3 Ų110.329%0.28855%0.554SS.*THydrogen-bonded Turntrans-70.1-23173.6-117.5139.6000112.5Y31 R37 T49 L56Y31-L35 HydrophobicContact CE1-CD1 3.79Å; L35-R37 VanDerWaalsContact C-N 3.3Å; L35-T49 HydrophobicContact CD2-CG2 4.38Å; L35-L56 HydrophobicContact CD1-CD1 4.45Å
36E34.3Very low35.1Very low151 Ų151116.1 Ų116.171%0.70657%0.569SS**G310 helixtrans-69.9-25.8168-70.9-169.415300112.7S34S34-E36 PolarHBondContact O-N 3.41Å
37R34.8Very low35.7Very low227 Ų227118.2 Ų118.286%0.85758%0.58SS**G310 helixtrans-84.1-8.6-178.8-72.8-174-179.7179.11.2114.7S34 L35 Q39S34-R37 PolarHBondContact O-N 2.96Å; L35-R37 VanDerWaalsContact C-N 3.3Å; R37-Q39 VanDerWaalsContact C-N 3.28Å; R37-Q39 PolarHBondContact O-N 3.04Å
38I37Very low36.5Very low88 Ų88119.7 Ų119.745%0.45158%0.584SS.*G310 helixtrans-88.68175.7-57.8174.7000111.7G40 T49I38-G40 PolarHBondContact O-N 3.4Å; I38-T49 HydrophobicContact CG2-CG2 4.2Å
39Q32.8Very low37.4Very low155 Ų155113.7 Ų113.772%0.72455%0.553SS**  trans-73.838.4170.2-63.5-166.15.700113.9R37 R41R37-Q39 VanDerWaalsContact C-N 3.28Å; R37-Q39 PolarHBondContact O-N 3.04Å; Q39-R41 PolarHBondContact O-N 3.46Å
40G33.6Very low38.7Very low54 Ų54119.6 Ų119.656%0.55758%0.575SS**  trans-76106.4173.600000112.3I38 N42I38-G40 PolarHBondContact O-N 3.4Å; G40-N42 VanDerWaalsContact C-N 3.26Å; G40-N42 PolarHBondContact O-N 3.42Å
41R34.7Very low40.3Very low256 Ų256121.4 Ų121.497%0.96657%0.569SS**SBendtrans15.120.2155.3-74.8-172.9178.6-179.30.4123.6Q39Q39-R41 PolarHBondContact O-N 3.46Å
42N37.2Very low41.5Very low107 Ų107117.9 Ų117.957%0.57256%0.556SS**  trans-121.9120.5171.9-91.4-30.3000111.3G40 R44 Y45G40-N42 VanDerWaalsContact C-N 3.26Å; G40-N42 PolarHBondContact O-N 3.42Å; N42-R44 PolarHBondContact O-N 2.92Å; N42-R44 VanDerWaalsContact O-N 3.13Å; N42-Y45 HydrophobicContact CB-CD2 3.84Å; N42-Y45 PolarHBondContact O-N 3.23Å
43S42.3Very low43.1Very low100 Ų100116.1 Ų116.170%0.69955%0.546SS*.Hα-helixtrans-57.4-27.1-179.355.90000113.7
44R40.7Very low45Very low205 Ų205113.1 Ų113.177%0.77453%0.53SS*.Hα-helixtrans-69.8-26.5173.4-72.7-174.2-175.1178.21.9114.1N42 R48N42-R44 PolarHBondContact O-N 2.92Å; N42-R44 VanDerWaalsContact O-N 3.13Å; R44-R48 WeakPolarHBondContact O-CG 3.33Å
45Y39.4Very low46.7Very low117 Ų117111.1 Ų111.146%0.45952%0.516SS..Hα-helixtrans-79.5-32.2176.3-83.7-91.6000112.2N42 V47 R48 T49N42-Y45 HydrophobicContact CB-CD2 3.84Å; N42-Y45 PolarHBondContact O-N 3.23Å; Y45-V47 PolarHBondContact O-N 3.32Å; Y45-R48 PolarHBondContact O-N 3.49Å; Y45-T49 PolarHBondContact O-N 3.4Å; Y45-T49 VanDerWaalsContact O-N 3.1Å; Y45-T49 PolarHBondContact O-OG1 3.47Å
46R38.4Very low48.2Very low188 Ų188109 Ų10971%0.70951%0.505SS*.Hα-helixtrans-61.3-38.2179.6-88.6-174.9175175.8-2114.4R48 R50R46-R48 VanDerWaalsContact C-N 3.35Å; R46-R50 WeakPolarHBondContact O-CB 3.37Å; R46-R50 PolarHBondContact O-N 3.4Å
47V45.1Very low49.8Very low109 Ų109105.1 Ų105.166%0.66149%0.487SS*.Hα-helixtrans-70.7-37.1178.2-178.30000110.5Y45 R50Y45-V47 PolarHBondContact O-N 3.32Å; V47-R50 PolarHBondContact O-N 3.37Å
48R49.6Very low51.6Low72 Ų7295.9 Ų95.927%0.27246%0.459SS..Hα-helixtrans-67.1-43.4-178.4-68178.4175.6-161.7-9.7112R44 Y45 R46 N128 Y131R44-R48 WeakPolarHBondContact O-CG 3.33Å; Y45-R48 PolarHBondContact O-N 3.49Å; R46-R48 VanDerWaalsContact C-N 3.35Å; R48-N128 VanDerWaalsContact CZ-OD1 3.24Å; R48-N128 PolarHBondContact NH1-OD1 3.09Å; R48-N128 PolarHBondContact NH2-OD1 2.96Å; R48-Y131 HydrophobicContact CB-CE1 3.76Å; R48-Y131 WeakPolarHBondContact CB-OH 3.47Å; R48-Y131 HydrophobicContact CG-CE1 4.27Å; R48-Y131 PolarHBondContact O-OH 2.97Å
49T53.2Low53Low30 Ų3091.7 Ų91.718%0.18444%0.438CS..Hα-helixtrans-72.8-23.9175.231.30000114.1L35 I38 Y45 I52 S53 Y131L35-T49 HydrophobicContact CD2-CG2 4.38Å; I38-T49 HydrophobicContact CG2-CG2 4.2Å; Y45-T49 PolarHBondContact O-N 3.4Å; Y45-T49 VanDerWaalsContact O-N 3.1Å; Y45-T49 PolarHBondContact O-OG1 3.47Å; T49-I52 PolarHBondContact O-N 3.07Å; T49-S53 WeakPolarHBondContact O-CB 3.35Å; T49-S53 PolarHBondContact O-N 2.94Å; T49-Y131 PolarHBondContact N-OH 3.34Å
50R63Low54.7Low178 Ų17888.5 Ų88.567%0.67242%0.423SS*.Hα-helixtrans-69.1-38.8-176.1-165.1169.1-173.5176.40.8113.4R46 V47 S53 L54R46-R50 WeakPolarHBondContact O-CB 3.37Å; R46-R50 PolarHBondContact O-N 3.4Å; V47-R50 PolarHBondContact O-N 3.37Å; R50-S53 PolarHBondContact O-N 3.26Å; R50-L54 HydrophobicContact CG-CD1 4.02Å; R50-L54 HydrophobicContact CG-CG 4.38Å; R50-L54 WeakPolarHBondContact O-CB 3.44Å; R50-L54 WeakPolarHBondContact O-CG 3.33Å; R50-L54 PolarHBondContact O-N 3.34Å
51F65.5Low56.3Low87 Ų8794.4 Ų94.438%0.38243%0.429SS..Hα-helixtrans-62.7-45.4175.6176.1-97.9000111.5L54 A55 F94 L95 L98 I139F51-L54 PolarHBondContact O-N 2.81Å; F51-A55 WeakPolarHBondContact O-CB 3.42Å; F51-A55 PolarHBondContact O-N 3.07Å; F51-F94 HydrophobicContact CE2-CE1 4.14Å; F51-F94 HydrophobicContact CZ-CE1 4.16Å; F51-L95 HydrophobicContact CZ-CD2 4.37Å; F51-L98 HydrophobicContact CE1-CD2 3.73Å; F51-L98 HydrophobicContact CE2-CD2 4.36Å; F51-L98 HydrophobicContact CZ-CD2 3.41Å; F51-L98 VanDerWaalsContact CZ-CD2 3.41Å; F51-I139 HydrophobicContact CE1-CD1 4.46Å
52I60.9Low57.7Low8 Ų883 Ų834%0.04139%0.386CS..Hα-helixtrans-64.4-46179-56.2166.8000110.3T49 L54 A55 L56 Y131 S135 I139T49-I52 PolarHBondContact O-N 3.07Å; I52-L54 VanDerWaalsContact C-N 3.33Å; I52-L54 PolarHBondContact O-N 3.25Å; I52-A55 PolarHBondContact O-N 3.31Å; I52-L56 HydrophobicContact CG2-CD1 3.7Å; I52-L56 HydrophobicContact CG2-CG 4.19Å; I52-L56 VanDerWaalsContact O-CB 3.3Å; I52-L56 WeakPolarHBondContact O-CB 3.02Å; I52-L56 WeakPolarHBondContact O-CG 3.37Å; I52-L56 PolarHBondContact O-N 3.36Å; I52-Y131 HydrophobicContact CD1-CE1 4.46Å; I52-Y131 VanDerWaalsContact CD1-OH 3.27Å; I52-Y131 WeakPolarHBondContact CD1-OH 3.36Å; I52-S135 WeakPolarHBondContact CD1-OG 3.32Å; I52-I139 HydrophobicContact CG2-CD1 4.25Å; I52-I139 HydrophobicContact CG2-CG1 4.16Å
53S62.8Low58.9Low44 Ų4478.7 Ų78.731%0.30836%0.364SS..Hα-helixtrans-56.7-47.3175.3-163.60000111.3T49 R50 L56 E57T49-S53 WeakPolarHBondContact O-CB 3.35Å; T49-S53 PolarHBondContact O-N 2.94Å; R50-S53 PolarHBondContact O-N 3.26Å; S53-L56 PolarHBondContact O-N 2.99Å; S53-E57 VanDerWaalsContact O-CB 3.29Å; S53-E57 WeakPolarHBondContact O-CB 3.45Å; S53-E57 VanDerWaalsContact O-CG 3.22Å; S53-E57 WeakPolarHBondContact O-CG 3.5Å; S53-E57 PolarHBondContact O-N 3.12Å; S53-E57 PolarHBondContact OG-OE1 2.94Å
54L72Confident59.6Low94 Ų9477.4 Ų77.449%0.49236%0.355SS..Hα-helixtrans-66.7-40.6179.8-72.7170000112.6R50 F51 I52 A58R50-L54 HydrophobicContact CG-CD1 4.02Å; R50-L54 HydrophobicContact CG-CG 4.38Å; R50-L54 WeakPolarHBondContact O-CB 3.44Å; R50-L54 WeakPolarHBondContact O-CG 3.33Å; R50-L54 PolarHBondContact O-N 3.34Å; F51-L54 PolarHBondContact O-N 2.81Å; I52-L54 VanDerWaalsContact C-N 3.33Å; I52-L54 PolarHBondContact O-N 3.25Å; L54-A58 WeakPolarHBondContact O-CB 3.27Å; L54-A58 PolarHBondContact O-N 3.42Å
55A67.8Low60.1Low8 Ų873.8 Ų73.87%0.06635%0.345CS..Hα-helixtrans-66.6-42.2176.700000111.4F51 I52 A58 L59 I139F51-A55 WeakPolarHBondContact O-CB 3.42Å; F51-A55 PolarHBondContact O-N 3.07Å; I52-A55 PolarHBondContact O-N 3.31Å; A55-A58 PolarHBondContact O-N 3.48Å; A55-L59 WeakPolarHBondContact O-CB 3.18Å; A55-L59 VanDerWaalsContact O-CG 3.29Å; A55-L59 WeakPolarHBondContact O-CG 3.43Å; A55-L59 PolarHBondContact O-N 2.93Å; A55-I139 HydrophobicContact CB-CD1 3.83Å; A55-I139 HydrophobicContact CB-CG1 4.36Å; A55-I139 HydrophobicContact CB-CG2 4.41Å
56L66.6Low60.2Low11 Ų1174.4 Ų74.46%0.05836%0.356CS..Hα-helixtrans-64.2-48174.5-72.6171.2000111.4Y31 L35 I52 S53 A58 L59 Q60 I139 L142Y31-L56 HydrophobicContact CE1-CD1 4.49Å; Y31-L56 VanDerWaalsContact OH-CD1 3.26Å; Y31-L56 WeakPolarHBondContact OH-CD1 3.42Å; L35-L56 HydrophobicContact CD1-CD1 4.45Å; I52-L56 HydrophobicContact CG2-CD1 3.7Å; I52-L56 HydrophobicContact CG2-CG 4.19Å; I52-L56 VanDerWaalsContact O-CB 3.3Å; I52-L56 WeakPolarHBondContact O-CB 3.02Å; I52-L56 WeakPolarHBondContact O-CG 3.37Å; I52-L56 PolarHBondContact O-N 3.36Å; S53-L56 PolarHBondContact O-N 2.99Å; L56-A58 VanDerWaalsContact C-N 3.31Å; L56-A58 PolarHBondContact O-N 3.11Å; L56-L59 PolarHBondContact O-N 2.72Å; L56-Q60 VanDerWaalsContact O-CB 3.24Å; L56-Q60 WeakPolarHBondContact O-CB 3.25Å; L56-Q60 VanDerWaalsContact O-CG 3.23Å; L56-Q60 WeakPolarHBondContact O-CG 3.46Å; L56-Q60 PolarHBondContact O-N 3.38Å; L56-I139 HydrophobicContact CD2-CG1 4.22Å; L56-I139 HydrophobicContact CG-CG1 4.26Å; L56-L142 HydrophobicContact CD2-CD1 3.45Å; L56-L142 VanDerWaalsContact CD2-CD1 3.45Å
57E69.2Low60.1Low69 Ų6967.4 Ų67.432%0.32234%0.336SS..Hα-helixtrans-60.1-41.7176.3-77.2168.7-137.500111.6S53 R61S53-E57 VanDerWaalsContact O-CB 3.29Å; S53-E57 WeakPolarHBondContact O-CB 3.45Å; S53-E57 VanDerWaalsContact O-CG 3.22Å; S53-E57 WeakPolarHBondContact O-CG 3.5Å; S53-E57 PolarHBondContact O-N 3.12Å; S53-E57 PolarHBondContact OG-OE1 2.94Å; E57-R61 WeakPolarHBondContact O-CB 3.5Å; E57-R61 VanDerWaalsContact O-CG 3.26Å; E57-R61 WeakPolarHBondContact O-CG 3.4Å; E57-R61 PolarHBondContact O-N 3.4Å; E57-R61 IonicContact OE2-NH2 3.62Å
58A71.1Confident59.6Low34 Ų3466.9 Ų66.928%0.28134%0.335SS..Hα-helixtrans-64.7-44.9177.500000111.7L54 A55 L56 L62 L91L54-A58 WeakPolarHBondContact O-CB 3.27Å; L54-A58 PolarHBondContact O-N 3.42Å; A55-A58 PolarHBondContact O-N 3.48Å; L56-A58 VanDerWaalsContact C-N 3.31Å; L56-A58 PolarHBondContact O-N 3.11Å; A58-L62 WeakPolarHBondContact O-CG 3.18Å; A58-L62 PolarHBondContact O-N 3.16Å; A58-L91 HydrophobicContact CB-CD2 4.09Å
59L67Low58.8Low0 Ų066.4 Ų66.40%034%0.343CS..Hα-helixtrans-70.1-40.2177.2-70.8170.2000112.2A55 L56 R61 L62 V63 L91 L92 L95 I139 L142 A143 C146A55-L59 WeakPolarHBondContact O-CB 3.18Å; A55-L59 VanDerWaalsContact O-CG 3.29Å; A55-L59 WeakPolarHBondContact O-CG 3.43Å; A55-L59 PolarHBondContact O-N 2.93Å; L56-L59 PolarHBondContact O-N 2.72Å; L59-R61 PolarHBondContact O-N 3.19Å; L59-L62 CarbonylContact O-C 3.59Å; L59-L62 WeakPolarHBondContact O-CA 3.35Å; L59-L62 WeakPolarHBondContact O-CB 3.43Å; L59-L62 PolarHBondContact O-N 2.92Å; L59-V63 WeakPolarHBondContact O-CG2 3.5Å; L59-V63 PolarHBondContact O-N 3.33Å; L59-L91 HydrophobicContact CD2-CD2 3.8Å; L59-L91 HydrophobicContact CG-CD2 4.16Å; L59-L92 HydrophobicContact CD2-CD2 4.46Å; L59-L95 HydrophobicContact CD1-CD1 4.17Å; L59-I139 HydrophobicContact CD1-CG2 3.41Å; L59-I139 VanDerWaalsContact CD1-CG2 3.41Å; L59-L142 HydrophobicContact CB-CB 4.11Å; L59-L142 HydrophobicContact CD1-CB 4.12Å; L59-A143 HydrophobicContact CD1-CB 4.2Å; L59-C146 HydrophobicContact CD2-CB 3.96Å
60Q68.6Low57.9Low88 Ų8868 Ų6841%0.41135%0.35SS..Hα-helixtrans-60.5-45.8175.6-78.5176.1-17.400110.7L56 L62 V63 S64 L142L56-Q60 VanDerWaalsContact O-CB 3.24Å; L56-Q60 WeakPolarHBondContact O-CB 3.25Å; L56-Q60 VanDerWaalsContact O-CG 3.23Å; L56-Q60 WeakPolarHBondContact O-CG 3.46Å; L56-Q60 PolarHBondContact O-N 3.38Å; Q60-L62 PolarHBondContact O-N 2.93Å; Q60-L62 VanDerWaalsContact O-N 3.16Å; Q60-V63 PolarHBondContact O-N 2.69Å; Q60-S64 WeakPolarHBondContact O-CB 3.39Å; Q60-S64 PolarHBondContact O-N 2.93Å; Q60-S64 PolarHBondContact O-OG 3.31Å; Q60-L142 HydrophobicContact CG-CD1 4.18Å; Q60-L142 HydrophobicContact CG-CD2 4.06Å
61R67.1Low56.5Low178 Ų17867.5 Ų67.567%0.67236%0.355SS*.Hα-helixtrans-59.8-26.1174-75.9178-173145.410.9113.7E57 L59E57-R61 WeakPolarHBondContact O-CB 3.5Å; E57-R61 VanDerWaalsContact O-CG 3.26Å; E57-R61 WeakPolarHBondContact O-CG 3.4Å; E57-R61 PolarHBondContact O-N 3.4Å; E57-R61 IonicContact OE2-NH2 3.62Å; L59-R61 PolarHBondContact O-N 3.19Å
62L65.2Low55.2Low15 Ų1565 Ų658%0.07935%0.348CS..Hα-helixtrans-82.4-27.1176.1-72.1171000112.6A58 L59 Q60 R84 L91 Q149 Y150A58-L62 WeakPolarHBondContact O-CG 3.18Å; A58-L62 PolarHBondContact O-N 3.16Å; L59-L62 CarbonylContact O-C 3.59Å; L59-L62 WeakPolarHBondContact O-CA 3.35Å; L59-L62 WeakPolarHBondContact O-CB 3.43Å; L59-L62 PolarHBondContact O-N 2.92Å; Q60-L62 PolarHBondContact O-N 2.93Å; Q60-L62 VanDerWaalsContact O-N 3.16Å; L62-R84 HydrophobicContact CD2-CB 3.98Å; L62-R84 HydrophobicContact CD2-CG 4.06Å; L62-L91 HydrophobicContact CD1-CD2 3.93Å; L62-Q149 PolarHBondContact O-OE1 3.38Å; L62-Y150 HydrophobicContact CB-CE2 4.02Å; L62-Y150 HydrophobicContact CD2-CE2 4.35Å; L62-Y150 PolarHBondContact O-OH 3.09Å
63V61.9Low54Low17 Ų1767.5 Ų67.510%0.10337%0.37CS..Hα-helixtrans-97.1-41.6-175.7174.70000113L59 Q60 F65 L142 T145 C146L59-V63 WeakPolarHBondContact O-CG2 3.5Å; L59-V63 PolarHBondContact O-N 3.33Å; Q60-V63 PolarHBondContact O-N 2.69Å; V63-F65 PolarHBondContact O-N 3.16Å; V63-L142 HydrophobicContact CG2-CD2 4.43Å; V63-T145 HydrophobicContact CG1-CG2 3.89Å; V63-T145 HydrophobicContact CG2-CG2 4.31Å; V63-C146 HydrophobicContact CG2-CB 3.96Å
64S57.1Low52.8Low74 Ų7469.3 Ų69.352%0.51739%0.388SS..  trans-75.291.3-17465.50000111.4Q60Q60-S64 WeakPolarHBondContact O-CB 3.39Å; Q60-S64 PolarHBondContact O-N 2.93Å; Q60-S64 PolarHBondContact O-OG 3.31Å
65F50.6Low51.3Low129 Ų12969.8 Ų69.857%0.56639%0.388SS*.  trans-134.581.3164.1-146.9-91.5000108.9V63 S67V63-F65 PolarHBondContact O-N 3.16Å; F65-S67 WeakPolarHBondContact CD1-OG 3.41Å; F65-S67 VanDerWaalsContact CE1-OG 3.28Å; F65-S67 WeakPolarHBondContact CE1-OG 3.45Å
66D41Very low50Low129 Ų12970.5 Ų70.569%0.6939%0.39SS*.  trans-8796.6164.2-72.5-27000107.5
67S37Very low48.8Very low41 Ų4177 Ų7729%0.28742%0.418SS..  trans-123.2103164.360.50000109F65 S69F65-S67 WeakPolarHBondContact CD1-OG 3.41Å; F65-S67 VanDerWaalsContact CE1-OG 3.28Å; F65-S67 WeakPolarHBondContact CE1-OG 3.45Å; S67-S69 PolarHBondContact O-N 2.71Å
68P34.2Very low47.7Very low99 Ų9975.2 Ų75.264%0.64341%0.412SS*.  trans-7924.1-178.132.8-35000113.2
69S33.2Very low46.5Very low61 Ų6178.3 Ų78.343%0.42743%0.43SS..  trans-122.3121.5-173.7590000112.6S67 E71 S72S67-S69 PolarHBondContact O-N 2.71Å; S69-E71 PolarHBondContact O-N 3.13Å; S69-S72 PolarHBondContact O-OG 3.13Å
70L34.5Very low45.9Very low63 Ų6382.8 Ų82.833%0.3345%0.454SS..G310 helixtrans-59.4-12.2-177.8-145.992.5000115.6S72 A73 P294L70-S72 PolarHBondContact O-N 3.05Å; L70-A73 PolarHBondContact O-N 2.93Å; L70-P294 HydrophobicContact CD1-CB 4.03Å; L70-P294 HydrophobicContact CD1-CG 4.2Å; L70-P294 HydrophobicContact CD2-CB 4.14Å
71E32.7Very low45.2Very low168 Ų16879.3 Ų79.379%0.78544%0.437SS*.G310 helixtrans-62.5-6.2177.3-70.2-176.9162.600113.3S69S69-E71 PolarHBondContact O-N 3.13Å
72S38.8Very low44.7Very low34 Ų3475 Ų7524%0.23842%0.424CS..G310 helixtrans-96.4-4-176.557.50000115.7S69 L70 A74 H75S69-S72 PolarHBondContact O-OG 3.13Å; L70-S72 PolarHBondContact O-N 3.05Å; S72-A74 PolarHBondContact O-N 3.09Å; S72-H75 WeakPolarHBondContact O-CA 3.34Å; S72-H75 VanDerWaalsContact O-CB 3.27Å; S72-H75 WeakPolarHBondContact O-CB 3.41Å; S72-H75 PolarHBondContact O-N 3.19Å
73A35.9Very low44.7Very low61 Ų6178.4 Ų78.450%0.50444%0.44SS..G310 helixtrans-63.5-30.9170.300000111.8L70 H75 I76L70-A73 PolarHBondContact O-N 2.93Å; A73-H75 PolarHBondContact O-N 3.47Å; A73-I76 WeakPolarHBondContact O-CD1 3.39Å
74A37.3Very low44.8Very low83 Ų8380 Ų8069%0.68644%0.444SS*.G310 helixtrans-70.8-7.2169.500000113.4S72S72-A74 PolarHBondContact O-N 3.09Å
75H39.8Very low45.3Very low104 Ų10478.9 Ų78.948%0.48143%0.428SS..G310 helixtrans-101.74.1-178.4-70.9-40000115S72 A73 F77 T78S72-H75 WeakPolarHBondContact O-CA 3.34Å; S72-H75 VanDerWaalsContact O-CB 3.27Å; S72-H75 WeakPolarHBondContact O-CB 3.41Å; S72-H75 PolarHBondContact O-N 3.19Å; A73-H75 PolarHBondContact O-N 3.47Å; H75-F77 PolarHBondContact O-N 3.07Å; H75-T78 HydrophobicContact CB-CG2 3.54Å; H75-T78 WeakPolarHBondContact ND1-CG2 3.47Å; H75-T78 WeakPolarHBondContact O-CB 3.47Å; H75-T78 WeakPolarHBondContact O-CG2 3.21Å; H75-T78 PolarHBondContact O-N 3.37Å; H75-T78 PolarHBondContact O-OG1 3.48Å
76I41.5Very low46.2Very low22 Ų2274.9 Ų74.911%0.11342%0.419CS..THydrogen-bonded Turntrans-57.5-29166.9-77.597.8000111.3A14 I18 A73 T78A14-I76 HydrophobicContact CB-CG2 3.68Å; I18-I76 HydrophobicContact CB-CD1 4.42Å; I18-I76 HydrophobicContact CD1-CB 4.37Å; I18-I76 HydrophobicContact CD1-CD1 4.08Å; I18-I76 HydrophobicContact CD1-CG1 4.15Å; I18-I76 HydrophobicContact CD1-CG2 4.17Å; I18-I76 HydrophobicContact CG1-CB 4.37Å; I18-I76 HydrophobicContact CG1-CD1 3.25Å; I18-I76 HydrophobicContact CG1-CG1 3.64Å; A73-I76 WeakPolarHBondContact O-CD1 3.39Å; I76-T78 VanDerWaalsContact C-N 3.31Å; I76-T78 PolarHBondContact O-N 3.21Å
77F41.2Very low47.9Very low147 Ų14775 Ų7565%0.64541%0.41SS*.THydrogen-bonded Turntrans-84.88.8172.1-70.7-75.4000115H75 L332H75-F77 PolarHBondContact O-N 3.07Å; F77-L332 HydrophobicContact CE1-CD1 4.34Å; F77-L332 HydrophobicContact CE2-CD1 4.33Å; F77-L332 HydrophobicContact CZ-CD1 3.5Å; F77-L332 VanDerWaalsContact CZ-CD1 3.5Å
78T46.2Very low49.7Very low32 Ų3273 Ų7320%0.19640%0.396CS..  trans-69135.3175.552.60000110.7H75 I76 N80 F81H75-T78 HydrophobicContact CB-CG2 3.54Å; H75-T78 WeakPolarHBondContact ND1-CG2 3.47Å; H75-T78 WeakPolarHBondContact O-CB 3.47Å; H75-T78 WeakPolarHBondContact O-CG2 3.21Å; H75-T78 PolarHBondContact O-N 3.37Å; H75-T78 PolarHBondContact O-OG1 3.48Å; I76-T78 VanDerWaalsContact C-N 3.31Å; I76-T78 PolarHBondContact O-N 3.21Å; T78-N80 PolarHBondContact O-N 3.11Å; T78-F81 PolarHBondContact O-N 2.69Å; T78-F81 VanDerWaalsContact O-N 3.09Å
79P44.9Very low51.8Low100 Ų10070.5 Ų70.565%0.64938%0.376SS*.Hα-helixtrans-55.9-19.3177.120.1-31.3000113.3E83P79-E83 WeakPolarHBondContact O-CB 3.5Å; P79-E83 PolarHBondContact O-N 3.39Å
80N54.8Low54.2Low94 Ų9474 Ų7450%0.50339%0.389SS..Hα-helixtrans-70.7-26.9178.6-70.1-13.1000114.4T78 R84T78-N80 PolarHBondContact O-N 3.11Å; N80-R84 WeakPolarHBondContact O-CB 3.33Å; N80-R84 WeakPolarHBondContact O-CG 3.18Å; N80-R84 PolarHBondContact O-N 3.04Å; N80-R84 VanDerWaalsContact O-N 3.14Å; N80-R84 PolarHBondContact O-NE 3.26Å
81F54.5Low56.5Low14 Ų1472.8 Ų72.86%0.06138%0.383CS..Hα-helixtrans-75.2-48.4176.9180-104.4000111.5F10 V13 T78 E83 R84 W85 Y150F10-F81 HydrophobicContact CD2-CE1 4.08Å; F10-F81 AromaticContact CE2-CD1 3.62Å; F10-F81 HydrophobicContact CE2-CD1 3.62Å; F10-F81 AromaticContact CE2-CE1 3.61Å; F10-F81 HydrophobicContact CE2-CE1 3.61Å; F10-F81 HydrophobicContact CZ-CD1 4.31Å; V13-F81 HydrophobicContact CG1-CZ 3.98Å; T78-F81 PolarHBondContact O-N 2.69Å; T78-F81 VanDerWaalsContact O-N 3.09Å; F81-E83 VanDerWaalsContact C-N 3.27Å; F81-E83 PolarHBondContact O-N 2.91Å; F81-R84 PolarHBondContact O-N 3.44Å; F81-R84 VanDerWaalsContact O-N 3.13Å; F81-W85 WeakPolarHBondContact O-CB 3.23Å; F81-W85 PolarHBondContact O-N 3.27Å; F81-Y150 HydrophobicContact CE2-CD1 4.29Å; F81-Y150 HydrophobicContact CE2-CE1 4Å
82H56.5Low59Low87 Ų8764.8 Ų64.840%0.40335%0.345SS..Hα-helixtrans-55.9-42173.8-75.9-73.6000112.5F10 A86F10-H82 AromaticContact CD2-CE1 3.73Å; F10-H82 AromaticContact CD2-ND1 3.84Å; F10-H82 AromaticContact CE1-CE1 3.42Å; F10-H82 VanDerWaalsContact CE1-CE1 3.42Å; F10-H82 WeakPolarHBondContact CE1-CE1 3.43Å; F10-H82 AromaticContact CE1-NE2 3.79Å; F10-H82 AromaticContact CE2-CE1 3.05Å; F10-H82 WeakPolarHBondContact CE2-CE1 3.15Å; F10-H82 AromaticContact CE2-CG 4Å; F10-H82 AromaticContact CE2-ND1 3.25Å; F10-H82 VanDerWaalsContact CE2-ND1 3.25Å; F10-H82 WeakPolarHBondContact CE2-ND1 3.26Å; F10-H82 AromaticContact CE2-NE2 3.67Å; F10-H82 AromaticContact CZ-CE1 2.91Å; F10-H82 WeakPolarHBondContact CZ-CE1 3.17Å; F10-H82 AromaticContact CZ-ND1 3.62Å; F10-H82 AromaticContact CZ-NE2 3.17Å; F10-H82 WeakPolarHBondContact CZ-NE2 3.33Å; H82-A86 VanDerWaalsContact O-CB 3.28Å; H82-A86 WeakPolarHBondContact O-CB 3.41Å; H82-A86 PolarHBondContact O-N 2.94Å
83E64.3Low61.3Low88 Ų8865.6 Ų65.641%0.41135%0.35SS..Hα-helixtrans-66.2-41.3177.5-168.2-178.1-160.300111.9P79 F81 A86 R87P79-E83 WeakPolarHBondContact O-CB 3.5Å; P79-E83 PolarHBondContact O-N 3.39Å; F81-E83 VanDerWaalsContact C-N 3.27Å; F81-E83 PolarHBondContact O-N 2.91Å; E83-A86 PolarHBondContact O-N 3.42Å; E83-R87 VanDerWaalsContact CD-CZ 3.42Å; E83-R87 WeakPolarHBondContact O-CB 3.29Å; E83-R87 VanDerWaalsContact O-CG 3.24Å; E83-R87 WeakPolarHBondContact O-CG 2.93Å; E83-R87 PolarHBondContact O-N 3.26Å; E83-R87 IonicContact OE1-CZ 3.5Å; E83-R87 VanDerWaalsContact OE1-CZ 3.29Å; E83-R87 IonicContact OE1-NE 3.02Å; E83-R87 IonicContact OE1-NH2 3.61Å; E83-R87 PolarHBondContact OE1-NH2 2.73Å; E83-R87 IonicContact OE2-CZ 2.68Å; E83-R87 IonicContact OE2-NH1 3.3Å; E83-R87 IonicContact OE2-NH2 3.47Å; E83-R87 PolarHBondContact OE2-NH2 2.74Å
84R63.8Low63.8Low49 Ų4968 Ų6819%0.18535%0.349CS..Hα-helixtrans-64.1-45.3175.1-78.8-178.8-74177.1-0.7112.1L62 N80 F81 R87 S88 Y150L62-R84 HydrophobicContact CD2-CB 3.98Å; L62-R84 HydrophobicContact CD2-CG 4.06Å; N80-R84 WeakPolarHBondContact O-CB 3.33Å; N80-R84 WeakPolarHBondContact O-CG 3.18Å; N80-R84 PolarHBondContact O-N 3.04Å; N80-R84 VanDerWaalsContact O-N 3.14Å; N80-R84 PolarHBondContact O-NE 3.26Å; F81-R84 PolarHBondContact O-N 3.44Å; F81-R84 VanDerWaalsContact O-N 3.13Å; R84-R87 PolarHBondContact O-N 3.06Å; R84-S88 PolarHBondContact O-N 3.17Å; R84-Y150 HydrophobicContact CB-CE1 3.99Å
85W69.2Low66.1Low51 Ų5164.3 Ų64.319%0.19332%0.318CS..Hα-helixtrans-59.6-48.6174.1179.987.5000110.9F81 R87 S88 Q89 Y150F81-W85 WeakPolarHBondContact O-CB 3.23Å; F81-W85 PolarHBondContact O-N 3.27Å; W85-R87 VanDerWaalsContact C-N 3.27Å; W85-R87 PolarHBondContact O-N 2.63Å; W85-S88 PolarHBondContact O-N 3.04Å; W85-S88 VanDerWaalsContact O-N 3.14Å; W85-S88 PolarHBondContact O-OG 3.17Å; W85-Q89 HydrophobicContact CD2-CG 3.96Å; W85-Q89 HydrophobicContact CE3-CG 4.17Å; W85-Q89 HydrophobicContact CH2-CG 3.97Å; W85-Q89 HydrophobicContact CZ2-CG 3.76Å; W85-Q89 HydrophobicContact CZ3-CG 4.17Å; W85-Q89 VanDerWaalsContact O-CG 3.24Å; W85-Q89 WeakPolarHBondContact O-CG 3.38Å; W85-Q89 PolarHBondContact O-N 3.24Å; W85-Y150 HydrophobicContact CB-CD1 3.99Å; W85-Y150 HydrophobicContact CB-CE1 4.44Å; W85-Y150 HydrophobicContact CG-CD1 4.43Å; W85-Y150 PolarHBondContact NE1-O 3Å
86A69.2Low68.3Low45 Ų4563.5 Ų63.537%0.37231%0.311SS..Hα-helixtrans-60.3-36.4177.400000112.6H82 E83 L90H82-A86 VanDerWaalsContact O-CB 3.28Å; H82-A86 WeakPolarHBondContact O-CB 3.41Å; H82-A86 PolarHBondContact O-N 2.94Å; E83-A86 PolarHBondContact O-N 3.42Å; A86-L90 PolarHBondContact O-N 3.49Å
87R76.3Confident70.5Confident131 Ų13166.1 Ų66.149%0.49432%0.322SS..Hα-helixtrans-69.3-39.5175.2-73.6170.3-178.4166.6-0.5112.5E83 R84 W85 Q89 L90 L91E83-R87 VanDerWaalsContact CD-CZ 3.42Å; E83-R87 WeakPolarHBondContact O-CB 3.29Å; E83-R87 VanDerWaalsContact O-CG 3.24Å; E83-R87 WeakPolarHBondContact O-CG 2.93Å; E83-R87 PolarHBondContact O-N 3.26Å; E83-R87 IonicContact OE1-CZ 3.5Å; E83-R87 VanDerWaalsContact OE1-CZ 3.29Å; E83-R87 IonicContact OE1-NE 3.02Å; E83-R87 IonicContact OE1-NH2 3.61Å; E83-R87 PolarHBondContact OE1-NH2 2.73Å; E83-R87 IonicContact OE2-CZ 2.68Å; E83-R87 IonicContact OE2-NH1 3.3Å; E83-R87 IonicContact OE2-NH2 3.47Å; E83-R87 PolarHBondContact OE2-NH2 2.74Å; R84-R87 PolarHBondContact O-N 3.06Å; W85-R87 VanDerWaalsContact C-N 3.27Å; W85-R87 PolarHBondContact O-N 2.63Å; R87-Q89 VanDerWaalsContact C-N 3.3Å; R87-Q89 PolarHBondContact O-N 2.83Å; R87-L90 PolarHBondContact O-N 3.42Å; R87-L91 WeakPolarHBondContact O-CB 3.49Å; R87-L91 PolarHBondContact O-N 3.12Å
88S75.6Confident72.6Confident0 Ų061.7 Ų61.70%031%0.305CS..Hα-helixtrans-65.1-37.4176.570.70000111.5R84 W85 L90 L91 L92 Y150R84-S88 PolarHBondContact O-N 3.17Å; W85-S88 PolarHBondContact O-N 3.04Å; W85-S88 VanDerWaalsContact O-N 3.14Å; W85-S88 PolarHBondContact O-OG 3.17Å; S88-L90 PolarHBondContact O-N 2.84Å; S88-L91 PolarHBondContact O-N 2.8Å; S88-L92 WeakPolarHBondContact O-CG 3.21Å; S88-L92 PolarHBondContact O-N 3.37Å; S88-Y150 WeakPolarHBondContact OG-CB 3.29Å; S88-Y150 VanDerWaalsContact OG-CG 3.29Å
89Q78.3Confident74.4Confident47 Ų4760.9 Ų60.922%0.2230%0.302CS..Hα-helixtrans-62.3-19.2174-68.1-62.7-27.600114.2W85 R87 P93 E152W85-Q89 HydrophobicContact CD2-CG 3.96Å; W85-Q89 HydrophobicContact CE3-CG 4.17Å; W85-Q89 HydrophobicContact CH2-CG 3.97Å; W85-Q89 HydrophobicContact CZ2-CG 3.76Å; W85-Q89 HydrophobicContact CZ3-CG 4.17Å; W85-Q89 VanDerWaalsContact O-CG 3.24Å; W85-Q89 WeakPolarHBondContact O-CG 3.38Å; W85-Q89 PolarHBondContact O-N 3.24Å; R87-Q89 VanDerWaalsContact C-N 3.3Å; R87-Q89 PolarHBondContact O-N 2.83Å; Q89-P93 VanDerWaalsContact O-CD 3.27Å; Q89-P93 WeakPolarHBondContact O-CD 3.4Å; Q89-P93 VanDerWaalsContact O-CG 3.27Å; Q89-P93 WeakPolarHBondContact O-CG 3.22Å; Q89-E152 VanDerWaalsContact CD-OE1 3.26Å; Q89-E152 VanDerWaalsContact NE2-CG 3.34Å; Q89-E152 PolarHBondContact NE2-OE1 2.66Å; Q89-E152 PolarHBondContact OE1-OE1 3.08Å
90L82.1Confident76.3Confident133 Ų13359.8 Ų59.870%0.69629%0.287SS*.Hα-helixtrans-95.9-42.1172.8-66.9172.6000112A86 R87 S88 F94A86-L90 PolarHBondContact O-N 3.49Å; R87-L90 PolarHBondContact O-N 3.42Å; S88-L90 PolarHBondContact O-N 2.84Å; L90-F94 WeakPolarHBondContact O-CB 3.38Å; L90-F94 PolarHBondContact O-N 3.37Å
91L83.9Confident77.6Confident39 Ų3959.6 Ų59.620%0.20428%0.283CS..Hα-helixtrans-70.9-44.6-173.3-177.261.6000112.5A58 L59 L62 R87 S88 F94 L95A58-L91 HydrophobicContact CB-CD2 4.09Å; L59-L91 HydrophobicContact CD2-CD2 3.8Å; L59-L91 HydrophobicContact CG-CD2 4.16Å; L62-L91 HydrophobicContact CD1-CD2 3.93Å; R87-L91 WeakPolarHBondContact O-CB 3.49Å; R87-L91 PolarHBondContact O-N 3.12Å; S88-L91 PolarHBondContact O-N 2.8Å; L91-F94 PolarHBondContact O-N 3.44Å; L91-L95 HydrophobicContact CD1-CD1 4.48Å; L91-L95 HydrophobicContact CD1-CG 4.43Å; L91-L95 HydrophobicContact CG-CD1 4.28Å; L91-L95 WeakPolarHBondContact O-CG 3.45Å; L91-L95 PolarHBondContact O-N 3.13Å
92L84.8Confident78.9Confident0 Ų059.8 Ų59.80%029%0.285CS..Hα-helixtrans-65.4-47.5-176.8-64.8169.2000112.2L59 S88 F94 L95 R96 A143 C146 A147 E152 M155 F159L59-L92 HydrophobicContact CD2-CD2 4.46Å; S88-L92 WeakPolarHBondContact O-CG 3.21Å; S88-L92 PolarHBondContact O-N 3.37Å; L92-F94 VanDerWaalsContact C-N 3.3Å; L92-F94 PolarHBondContact O-N 3Å; L92-L95 PolarHBondContact O-N 3.03Å; L92-R96 PolarHBondContact O-N 3.08Å; L92-A143 HydrophobicContact CD2-CB 4.25Å; L92-C146 HydrophobicContact CD2-CB 4.49Å; L92-A147 HydrophobicContact CD1-CB 3.86Å; L92-A147 HydrophobicContact CD2-CB 4.35Å; L92-E152 HydrophobicContact CD1-CB 4.05Å; L92-E152 HydrophobicContact CD1-CG 4.2Å; L92-M155 HydrophobicContact CB-CE 3.57Å; L92-M155 HydrophobicContact CB-SD 3.91Å; L92-M155 HydrophobicContact CD1-CE 4.31Å; L92-F159 HydrophobicContact CD2-CE2 4.23Å
93P87.5Confident80.1Confident51 Ų5162.1 Ų62.133%0.33129%0.291SS..Hα-helixtrans-63.3-34.6175.2-25.137.5000113.3Q89 R96 Q97 M155Q89-P93 VanDerWaalsContact O-CD 3.27Å; Q89-P93 WeakPolarHBondContact O-CD 3.4Å; Q89-P93 VanDerWaalsContact O-CG 3.27Å; Q89-P93 WeakPolarHBondContact O-CG 3.22Å; P93-R96 WeakPolarHBondContact O-CB 3.48Å; P93-R96 PolarHBondContact O-N 3.08Å; P93-Q97 PolarHBondContact O-N 3.31Å; P93-M155 HydrophobicContact CG-CE 3.88Å; P93-M155 HydrophobicContact CG-SD 4.07Å
94F88.4Confident81Confident110 Ų11058.3 Ų58.348%0.48227%0.274SS..Hα-helixtrans-61.4-48.7174.8171.8-97.7000111.6F51 L90 L91 L92 R96 Q97 L98F51-F94 HydrophobicContact CE2-CE1 4.14Å; F51-F94 HydrophobicContact CZ-CE1 4.16Å; L90-F94 WeakPolarHBondContact O-CB 3.38Å; L90-F94 PolarHBondContact O-N 3.37Å; L91-F94 PolarHBondContact O-N 3.44Å; L92-F94 VanDerWaalsContact C-N 3.3Å; L92-F94 PolarHBondContact O-N 3Å; F94-R96 VanDerWaalsContact C-N 3.3Å; F94-R96 PolarHBondContact O-N 2.93Å; F94-Q97 PolarHBondContact O-N 2.59Å; F94-L98 HydrophobicContact CE1-CD2 4.4Å; F94-L98 WeakPolarHBondContact O-CB 3.38Å; F94-L98 PolarHBondContact O-N 3.38Å
95L84.6Confident81.8Confident7 Ų756.2 Ų56.24%0.03727%0.267CS..Hα-helixtrans-60.4-41.1177-70.1174.9000111.7F51 L59 L91 L92 L98 A99 I139 F159F51-L95 HydrophobicContact CZ-CD2 4.37Å; L59-L95 HydrophobicContact CD1-CD1 4.17Å; L91-L95 HydrophobicContact CD1-CD1 4.48Å; L91-L95 HydrophobicContact CD1-CG 4.43Å; L91-L95 HydrophobicContact CG-CD1 4.28Å; L91-L95 WeakPolarHBondContact O-CG 3.45Å; L91-L95 PolarHBondContact O-N 3.13Å; L92-L95 PolarHBondContact O-N 3.03Å; L95-L98 PolarHBondContact O-N 3.29Å; L95-A99 PolarHBondContact O-N 3.49Å; L95-I139 HydrophobicContact CD1-CG2 4.15Å; L95-F159 HydrophobicContact CB-CZ 4.47Å
96R87.1Confident82.2Confident86 Ų8654 Ų5433%0.32526%0.259SS..Hα-helixtrans-59.1-48.8175.4-174.1-174.9-177-170.25.4112L92 P93 F94 A99 K100 E158 F159L92-R96 PolarHBondContact O-N 3.08Å; P93-R96 WeakPolarHBondContact O-CB 3.48Å; P93-R96 PolarHBondContact O-N 3.08Å; F94-R96 VanDerWaalsContact C-N 3.3Å; F94-R96 PolarHBondContact O-N 2.93Å; R96-A99 PolarHBondContact O-N 3.49Å; R96-K100 PolarHBondContact O-N 3.17Å; R96-E158 IonicContact CZ-OE2 3.7Å; R96-E158 VanDerWaalsContact NE-CD 3.33Å; R96-E158 IonicContact NE-OE1 3.34Å; R96-E158 PolarHBondContact NE-OE1 3.37Å; R96-E158 IonicContact NE-OE2 2.67Å; R96-E158 PolarHBondContact NE-OE2 3.49Å; R96-E158 IonicContact NH2-OE2 3.6Å; R96-E158 PolarHBondContact NH2-OE2 3.08Å; R96-F159 HydrophobicContact CB-CE1 4.25Å; R96-F159 HydrophobicContact CB-CZ 3.97Å
97Q87.8Confident82.7Confident78 Ų7855.1 Ų55.136%0.36426%0.261SS..Hα-helixtrans-70.2-36-178.1-17056.826.900112.2P93 F94 A99 K100 H101P93-Q97 PolarHBondContact O-N 3.31Å; F94-Q97 PolarHBondContact O-N 2.59Å; Q97-A99 VanDerWaalsContact C-N 3.35Å; Q97-A99 PolarHBondContact O-N 2.92Å; Q97-K100 PolarHBondContact O-N 2.72Å; Q97-H101 PolarHBondContact NE2-CD2 3.27Å; Q97-H101 PolarHBondContact NE2-NE2 3.41Å; Q97-H101 PolarHBondContact O-CD2 3.11Å; Q97-H101 VanDerWaalsContact O-CD2 3.31Å; Q97-H101 PolarHBondContact O-N 3.2Å
98L85.4Confident82.7Confident53 Ų5350.1 Ų50.128%0.27725%0.25SC..Hα-helixtrans-58.3-47.3173.1-179.664.2000111.1F51 F94 L95 K100 H101 V102F51-L98 HydrophobicContact CE1-CD2 3.73Å; F51-L98 HydrophobicContact CE2-CD2 4.36Å; F51-L98 HydrophobicContact CZ-CD2 3.41Å; F51-L98 VanDerWaalsContact CZ-CD2 3.41Å; F94-L98 HydrophobicContact CE1-CD2 4.4Å; F94-L98 WeakPolarHBondContact O-CB 3.38Å; F94-L98 PolarHBondContact O-N 3.38Å; L95-L98 PolarHBondContact O-N 3.29Å; L98-K100 VanDerWaalsContact C-N 3.33Å; L98-K100 PolarHBondContact O-N 3.05Å; L98-H101 PolarHBondContact O-N 3.06Å; L98-V102 HydrophobicContact CD1-CG2 4.25Å; L98-V102 HydrophobicContact CG-CG2 4.45Å; L98-V102 VanDerWaalsContact O-CG2 3.29Å; L98-V102 WeakPolarHBondContact O-CG2 3.47Å; L98-V102 PolarHBondContact O-N 2.88Å
99A82.9Confident82.9Confident15 Ų1552.3 Ų52.312%0.12426%0.264CS..Hα-helixtrans-58.8-43.3178.100000112.2L95 R96 Q97 V102 Y103 L136L95-A99 PolarHBondContact O-N 3.49Å; R96-A99 PolarHBondContact O-N 3.49Å; Q97-A99 VanDerWaalsContact C-N 3.35Å; Q97-A99 PolarHBondContact O-N 2.92Å; A99-V102 PolarHBondContact O-N 2.91Å; A99-Y103 WeakPolarHBondContact O-CB 3.01Å; A99-Y103 PolarHBondContact O-N 3.36Å; A99-L136 HydrophobicContact CB-CD1 4.13Å; A99-L136 HydrophobicContact CB-CD2 4.46Å
100K84.9Confident82.7Confident78 Ų7854.2 Ų54.234%0.33929%0.287SS..Hα-helixtrans-63.6-42.9177.3-69.8177.3-179178.30112.7R96 Q97 L98 Y103 N104R96-K100 PolarHBondContact O-N 3.17Å; Q97-K100 PolarHBondContact O-N 2.72Å; L98-K100 VanDerWaalsContact C-N 3.33Å; L98-K100 PolarHBondContact O-N 3.05Å; K100-Y103 PolarHBondContact O-N 3.23Å; K100-N104 WeakPolarHBondContact O-CB 3.41Å; K100-N104 PolarHBondContact O-N 3.49Å
101H83.2Confident82.2Confident90 Ų9057.6 Ų57.642%0.41730%0.296SS..Hα-helixtrans-69.7-38.7178.1-79.3-62.7000113Q97 L98 Y103 N104 A105Q97-H101 PolarHBondContact NE2-CD2 3.27Å; Q97-H101 PolarHBondContact NE2-NE2 3.41Å; Q97-H101 PolarHBondContact O-CD2 3.11Å; Q97-H101 VanDerWaalsContact O-CD2 3.31Å; Q97-H101 PolarHBondContact O-N 3.2Å; L98-H101 PolarHBondContact O-N 3.06Å; H101-Y103 VanDerWaalsContact C-N 3.32Å; H101-N104 PolarHBondContact O-N 3.35Å; H101-A105 WeakPolarHBondContact O-CB 3.27Å; H101-A105 PolarHBondContact O-N 2.91Å
102V80.9Confident81.7Confident18 Ų1860 Ų6011%0.10932%0.322CS..Hα-helixtrans-61.1-44.8173171.40000110L98 A99 N104 A105 C106 Y125 C132L98-V102 HydrophobicContact CD1-CG2 4.25Å; L98-V102 HydrophobicContact CG-CG2 4.45Å; L98-V102 VanDerWaalsContact O-CG2 3.29Å; L98-V102 WeakPolarHBondContact O-CG2 3.47Å; L98-V102 PolarHBondContact O-N 2.88Å; A99-V102 PolarHBondContact O-N 2.91Å; V102-N104 PolarHBondContact O-N 2.96Å; V102-A105 PolarHBondContact O-N 3.45Å; V102-C106 PolarHBondContact O-N 3.44Å; V102-C106 PolarHBondContact O-SG 2.84Å; V102-Y125 HydrophobicContact CG1-CD1 4.43Å; V102-Y125 HydrophobicContact CG2-CE1 4.33Å; V102-C132 HydrophobicContact CG1-CB 3.85Å
103Y82.2Confident81.4Confident136 Ų13662.6 Ų62.653%0.53334%0.336SS..Hα-helixtrans-61-44.7175.7-176-92.1000112.4A99 K100 H101 A105 C106 V107 G108A99-Y103 WeakPolarHBondContact O-CB 3.01Å; A99-Y103 PolarHBondContact O-N 3.36Å; K100-Y103 PolarHBondContact O-N 3.23Å; H101-Y103 VanDerWaalsContact C-N 3.32Å; Y103-A105 VanDerWaalsContact C-N 3.27Å; Y103-A105 PolarHBondContact O-N 3.1Å; Y103-C106 PolarHBondContact O-N 2.91Å; Y103-V107 HydrophobicContact CD2-CG2 4.15Å; Y103-V107 HydrophobicContact CE1-CB 4.15Å; Y103-V107 HydrophobicContact CE1-CG1 4.39Å; Y103-V107 HydrophobicContact CE2-CB 4.19Å; Y103-V107 HydrophobicContact CE2-CG2 3.79Å; Y103-V107 PolarHBondContact O-N 3.05Å; Y103-G108 PolarHBondContact O-N 2.89Å
104N83.5Confident80.6Confident8 Ų865.2 Ų65.24%0.04336%0.355CS..Hα-helixtrans-63.4-32.6176.1-169.850000112.4K100 H101 V102 G108 T109 L113 S114K100-N104 WeakPolarHBondContact O-CB 3.41Å; K100-N104 PolarHBondContact O-N 3.49Å; H101-N104 PolarHBondContact O-N 3.35Å; V102-N104 PolarHBondContact O-N 2.96Å; N104-G108 WeakPolarHBondContact O-CA 3.36Å; N104-G108 PolarHBondContact O-N 3.34Å; N104-G108 VanDerWaalsContact O-N 3.12Å; N104-T109 HydrophobicContact CB-CG2 4.33Å; N104-T109 WeakPolarHBondContact OD1-CG2 3.17Å; N104-T109 PolarHBondContact OD1-N 3.05Å; N104-T109 VanDerWaalsContact OD1-N 3.07Å; N104-T109 PolarHBondContact OD1-OG1 3.4Å; N104-L113 HydrophobicContact CB-CD1 4Å; N104-S114 PolarHBondContact ND2-O 3.4Å
105A80.2Confident79.6Confident5 Ų564.8 Ų64.84%0.04137%0.366CS..Hα-helixtrans-75.1-34.917600000113.1H101 V102 Y103 T116 Y125H101-A105 WeakPolarHBondContact O-CB 3.27Å; H101-A105 PolarHBondContact O-N 2.91Å; V102-A105 PolarHBondContact O-N 3.45Å; Y103-A105 VanDerWaalsContact C-N 3.27Å; Y103-A105 PolarHBondContact O-N 3.1Å; A105-T116 HydrophobicContact CB-CG2 3.93Å; A105-Y125 HydrophobicContact CB-CD1 4.28Å; A105-Y125 HydrophobicContact CB-CD2 3.72Å; A105-Y125 HydrophobicContact CB-CE2 4.29Å; A105-Y125 HydrophobicContact CB-CG 3.71Å
106C76.7Confident78.6Confident5 Ų566.8 Ų66.83%0.03438%0.378CS..Hα-helixtrans-79.7-49.5178.5-65.60000112.8V102 Y103 Y125 E126 N129V102-C106 PolarHBondContact O-N 3.44Å; V102-C106 PolarHBondContact O-SG 2.84Å; Y103-C106 PolarHBondContact O-N 2.91Å; C106-Y125 PolarHBondContact SG-O 3.22Å; C106-Y125 VanDerWaalsContact SG-O 3.39Å; C106-E126 WeakPolarHBondContact O-CG 3.44Å; C106-N129 HydrophobicContact CB-CB 4.49Å; C106-N129 PolarHBondContact SG-OD1 2.63Å
107V79.6Confident77.5Confident68 Ų6867 Ų6741%0.41239%0.389SS..THydrogen-bonded Turntrans-106.8-39.5-169.2-176.90000111.2Y103 R122Y103-V107 HydrophobicContact CD2-CG2 4.15Å; Y103-V107 HydrophobicContact CE1-CB 4.15Å; Y103-V107 HydrophobicContact CE1-CG1 4.39Å; Y103-V107 HydrophobicContact CE2-CB 4.19Å; Y103-V107 HydrophobicContact CE2-CG2 3.79Å; Y103-V107 PolarHBondContact O-N 3.05Å; V107-R122 PolarHBondContact O-NH2 2.84Å
108G77Confident76.2Confident25 Ų2568.8 Ų68.826%0.25841%0.411SS..  trans89.7158.9-170.300000112.6Y103 N104Y103-G108 PolarHBondContact O-N 2.89Å; N104-G108 WeakPolarHBondContact O-CA 3.36Å; N104-G108 PolarHBondContact O-N 3.34Å; N104-G108 VanDerWaalsContact O-N 3.12Å
109T79.5Confident75.1Confident47 Ų4772.8 Ų72.829%0.28843%0.432SS..  trans-123.1147.1172.762.30000109.7N104 L113N104-T109 HydrophobicContact CB-CG2 4.33Å; N104-T109 WeakPolarHBondContact OD1-CG2 3.17Å; N104-T109 PolarHBondContact OD1-N 3.05Å; N104-T109 VanDerWaalsContact OD1-N 3.07Å; N104-T109 PolarHBondContact OD1-OG1 3.4Å; T109-L113 PolarHBondContact OG1-N 3.48Å; T109-L113 VanDerWaalsContact OG1-N 3.13Å; T109-L113 PolarHBondContact OG1-O 3.05Å; T109-L113 VanDerWaalsContact OG1-O 3.13Å
110A73.9Confident74.3Confident86 Ų8674.5 Ų74.571%0.71144%0.441SS*.SBendtrans-74.2-40.2-173.600000113.1
111F73Confident73.3Confident204 Ų20474.2 Ų74.290%0.89545%0.447SS*.SBendtrans-147.4-7.5-175.2-60.2-72.9000115.1
112A73.4Confident72.6Confident89 Ų8975.6 Ų75.674%0.73645%0.449SS*.SBendtrans-87.6-36.3-16900000113.5
113L76.9Confident72.3Confident56 Ų5680.3 Ų80.329%0.29347%0.473SS..SBendtrans-128.3143.9175.3-67.5166000108.4N104 T109N104-L113 HydrophobicContact CB-CD1 4Å; T109-L113 PolarHBondContact OG1-N 3.48Å; T109-L113 VanDerWaalsContact OG1-N 3.13Å; T109-L113 PolarHBondContact OG1-O 3.05Å; T109-L113 VanDerWaalsContact OG1-O 3.13Å
114S72.2Confident72.1Confident105 Ų10578.3 Ų78.373%0.73447%0.467SS*.PPolyproline II helixtrans-57.8142.4171.954.80000110N104 T116N104-S114 PolarHBondContact ND2-O 3.4Å; S114-T116 PolarHBondContact O-N 3.47Å
115S67.1Low71.6Confident102 Ų10281.1 Ų81.171%0.71348%0.478SS*.PPolyproline II helixtrans-53.2140.6169.453.20000109.7T117S115-T117 PolarHBondContact O-N 2.85Å
116T64.2Low71.4Confident48 Ų4885 Ų8529%0.29450%0.495SS..PPolyproline II helixtrans-55.1136.717848.70000110.6A105 S114A105-T116 HydrophobicContact CB-CG2 3.93Å; S114-T116 PolarHBondContact O-N 3.47Å
117T63.9Low71.5Confident91 Ų9189.9 Ų89.956%0.55853%0.525SS*.PPolyproline II helixtrans-62.3159.8177.253.90000110.5S115 D119 V120S115-T117 PolarHBondContact O-N 2.85Å; T117-D119 PolarHBondContact O-N 3.41Å; T117-V120 PolarHBondContact O-N 3.29Å
118S60.3Low71.5Confident116 Ų11687.9 Ų87.981%0.81151%0.512SS*.THydrogen-bonded Turntrans-52.7-21.9179.9510000114.5V120S118-V120 VanDerWaalsContact C-N 3.27Å; S118-V120 PolarHBondContact O-N 2.88Å
119D62.8Low71.6Confident137 Ų13789.8 Ų89.873%0.73352%0.516SS*.THydrogen-bonded Turntrans-76-14.2-178.6-54.8-31.8000113.3T117 P121T117-D119 PolarHBondContact O-N 3.41Å; D119-P121 VanDerWaalsContact O-CD 3.3Å; D119-P121 WeakPolarHBondContact O-CD 3.41Å
120V64.5Low71.5Confident50 Ų5091.2 Ų91.230%0.30353%0.533SS..SBendtrans-110.292.2174.4-175.50000108.3T117 S118 R122 Y125T117-V120 PolarHBondContact O-N 3.29Å; S118-V120 VanDerWaalsContact C-N 3.27Å; S118-V120 PolarHBondContact O-N 2.88Å; V120-R122 PolarHBondContact O-N 3.42Å; V120-Y125 HydrophobicContact CG1-CD2 3.77Å; V120-Y125 HydrophobicContact CG1-CE2 3.49Å; V120-Y125 VanDerWaalsContact CG1-CE2 3.49Å
121P64.5Low71.7Confident73 Ų7390 Ų9047%0.47451%0.511SS..  trans-63.4115.4-178.322-30.6000109.6D119 D123 F124D119-P121 VanDerWaalsContact O-CD 3.3Å; D119-P121 WeakPolarHBondContact O-CD 3.41Å; P121-D123 PolarHBondContact O-N 2.81Å; P121-F124 HydrophobicContact CB-CB 4.48Å; P121-F124 HydrophobicContact CG-CB 3.95Å; P121-F124 VanDerWaalsContact O-CB 3.31Å; P121-F124 WeakPolarHBondContact O-CB 3.37Å; P121-F124 PolarHBondContact O-N 3.12Å
122R69.3Low71.8Confident118 Ų11881.4 Ų81.445%0.44548%0.476SS..Hα-helixtrans-49.3-41.7174.4-177.9173177146.912.6111.1V107 V120 F124 Y125 E126V107-R122 PolarHBondContact O-NH2 2.84Å; V120-R122 PolarHBondContact O-N 3.42Å; R122-F124 PolarHBondContact O-N 3.02Å; R122-F124 VanDerWaalsContact O-N 3.14Å; R122-Y125 PolarHBondContact O-N 3.27Å; R122-E126 HydrophobicContact CG-CG 4.03Å; R122-E126 WeakPolarHBondContact CG-OE1 3.11Å; R122-E126 IonicContact CZ-OE1 2.64Å; R122-E126 IonicContact NE-OE1 2.96Å; R122-E126 PolarHBondContact NE-OE1 3.35Å; R122-E126 IonicContact NH2-OE1 3.71Å; R122-E126 PolarHBondContact NH2-OE1 3.3Å; R122-E126 PolarHBondContact O-N 3.35Å
123D73.4Confident71.9Confident117 Ų11778.9 Ų78.963%0.62645%0.45SS*.Hα-helixtrans-52.9-35.9175.8-57.2-4.2000113.2P121 T127P121-D123 PolarHBondContact O-N 2.81Å; D123-T127 VanDerWaalsContact O-CB 3.29Å; D123-T127 WeakPolarHBondContact O-CB 3.15Å; D123-T127 WeakPolarHBondContact O-CG2 3.45Å; D123-T127 PolarHBondContact O-N 3.26Å; D123-T127 PolarHBondContact O-OG1 3.38Å
124F77.6Confident71.8Confident94 Ų9480.7 Ų80.741%0.41246%0.456SS..Hα-helixtrans-66.6-45.5177176.2-90.3000111.2P121 R122 T127 N128P121-F124 HydrophobicContact CB-CB 4.48Å; P121-F124 HydrophobicContact CG-CB 3.95Å; P121-F124 VanDerWaalsContact O-CB 3.31Å; P121-F124 WeakPolarHBondContact O-CB 3.37Å; P121-F124 PolarHBondContact O-N 3.12Å; R122-F124 PolarHBondContact O-N 3.02Å; R122-F124 VanDerWaalsContact O-N 3.14Å; F124-T127 PolarHBondContact O-OG1 2.91Å; F124-N128 WeakPolarHBondContact O-CB 3.26Å; F124-N128 PolarHBondContact O-N 3.48Å; F124-N128 VanDerWaalsContact O-N 3.12Å; F124-N128 PolarHBondContact O-ND2 2.98Å
125Y74.5Confident71.8Confident67 Ų6776.2 Ų76.226%0.26343%0.425SS..Hα-helixtrans-75.6-35.1-178.9-81.7-78.6000111.8V102 A105 C106 V120 R122 N128 N129V102-Y125 HydrophobicContact CG1-CD1 4.43Å; V102-Y125 HydrophobicContact CG2-CE1 4.33Å; A105-Y125 HydrophobicContact CB-CD1 4.28Å; A105-Y125 HydrophobicContact CB-CD2 3.72Å; A105-Y125 HydrophobicContact CB-CE2 4.29Å; A105-Y125 HydrophobicContact CB-CG 3.71Å; C106-Y125 PolarHBondContact SG-O 3.22Å; C106-Y125 VanDerWaalsContact SG-O 3.39Å; V120-Y125 HydrophobicContact CG1-CD2 3.77Å; V120-Y125 HydrophobicContact CG1-CE2 3.49Å; V120-Y125 VanDerWaalsContact CG1-CE2 3.49Å; R122-Y125 PolarHBondContact O-N 3.27Å; Y125-N128 CarbonylContact O-C 3.6Å; Y125-N128 PolarHBondContact O-N 3.02Å; Y125-N129 VanDerWaalsContact O-CA 3.22Å; Y125-N129 WeakPolarHBondContact O-CA 3.26Å; Y125-N129 VanDerWaalsContact O-CB 3.3Å; Y125-N129 WeakPolarHBondContact O-CB 3.33Å; Y125-N129 PolarHBondContact O-N 3.07Å
126E74.7Confident72.2Confident86 Ų8672.9 Ų72.940%0.40240%0.399SS..Hα-helixtrans-63.4-47.6173.1-73.1-175.2168.700111.9C106 R122 N128 N129C106-E126 WeakPolarHBondContact O-CG 3.44Å; R122-E126 HydrophobicContact CG-CG 4.03Å; R122-E126 WeakPolarHBondContact CG-OE1 3.11Å; R122-E126 IonicContact CZ-OE1 2.64Å; R122-E126 IonicContact NE-OE1 2.96Å; R122-E126 PolarHBondContact NE-OE1 3.35Å; R122-E126 IonicContact NH2-OE1 3.71Å; R122-E126 PolarHBondContact NH2-OE1 3.3Å; R122-E126 PolarHBondContact O-N 3.35Å; E126-N128 VanDerWaalsContact C-N 3.27Å; E126-N128 PolarHBondContact O-N 3.49Å; E126-N129 WeakPolarHBondContact O-CB 3.43Å; E126-N129 PolarHBondContact O-N 3.44Å
127T80.2Confident72.6Confident109 Ų10974.5 Ų74.567%0.66940%0.4SS*.Hα-helixtrans-64.8-31.3177.751.10000113D123 F124D123-T127 VanDerWaalsContact O-CB 3.29Å; D123-T127 WeakPolarHBondContact O-CB 3.15Å; D123-T127 WeakPolarHBondContact O-CG2 3.45Å; D123-T127 PolarHBondContact O-N 3.26Å; D123-T127 PolarHBondContact O-OG1 3.38Å; F124-T127 PolarHBondContact O-OG1 2.91Å
128N79.6Confident73Confident25 Ų2572.3 Ų72.313%0.13439%0.385CS..Hα-helixtrans-100.77.6179.3-62.2-78000113.4R48 F124 Y125 E126 A130 Y131 C132R48-N128 VanDerWaalsContact CZ-OD1 3.24Å; R48-N128 PolarHBondContact NH1-OD1 3.09Å; R48-N128 PolarHBondContact NH2-OD1 2.96Å; F124-N128 WeakPolarHBondContact O-CB 3.26Å; F124-N128 PolarHBondContact O-N 3.48Å; F124-N128 VanDerWaalsContact O-N 3.12Å; F124-N128 PolarHBondContact O-ND2 2.98Å; Y125-N128 CarbonylContact O-C 3.6Å; Y125-N128 PolarHBondContact O-N 3.02Å; E126-N128 VanDerWaalsContact C-N 3.27Å; E126-N128 PolarHBondContact O-N 3.49Å; N128-A130 VanDerWaalsContact C-N 3.32Å; N128-A130 PolarHBondContact O-N 3.28Å; N128-Y131 WeakPolarHBondContact O-CA 3.36Å; N128-Y131 WeakPolarHBondContact O-CB 3.5Å; N128-Y131 PolarHBondContact O-N 2.75Å; N128-C132 PolarHBondContact O-N 3.07Å
129N79.4Confident73.7Confident65 Ų6567 Ų6735%0.34835%0.347SS..Hα-helixtrans-59.5-43.7-172.7-173.525.2000111.5C106 Y125 E126 Y131 C132 D133C106-N129 HydrophobicContact CB-CB 4.49Å; C106-N129 PolarHBondContact SG-OD1 2.63Å; Y125-N129 VanDerWaalsContact O-CA 3.22Å; Y125-N129 WeakPolarHBondContact O-CA 3.26Å; Y125-N129 VanDerWaalsContact O-CB 3.3Å; Y125-N129 WeakPolarHBondContact O-CB 3.33Å; Y125-N129 PolarHBondContact O-N 3.07Å; E126-N129 WeakPolarHBondContact O-CB 3.43Å; E126-N129 PolarHBondContact O-N 3.44Å; N129-Y131 PolarHBondContact O-N 2.76Å; N129-C132 PolarHBondContact O-N 3.31Å; N129-D133 VanDerWaalsContact O-CB 3.22Å; N129-D133 WeakPolarHBondContact O-CB 3.29Å; N129-D133 PolarHBondContact O-N 3.46Å
130A76.7Confident74.4Confident78 Ų7861.2 Ų61.265%0.64532%0.316SS*.Hα-helixtrans-57.1-36.6176.600000112.4N128 H134N128-A130 VanDerWaalsContact C-N 3.32Å; N128-A130 PolarHBondContact O-N 3.28Å; A130-H134 VanDerWaalsContact O-CB 3.23Å; A130-H134 WeakPolarHBondContact O-CB 3.32Å; A130-H134 PolarHBondContact O-N 3.21Å
131Y77.2Confident75Confident60 Ų6059.9 Ų59.924%0.23531%0.308CS..Hα-helixtrans-72.5-49.1175.8179.6-97.1000111.7R48 T49 I52 N128 N129 D133 H134 S135R48-Y131 HydrophobicContact CB-CE1 3.76Å; R48-Y131 WeakPolarHBondContact CB-OH 3.47Å; R48-Y131 HydrophobicContact CG-CE1 4.27Å; R48-Y131 PolarHBondContact O-OH 2.97Å; T49-Y131 PolarHBondContact N-OH 3.34Å; I52-Y131 HydrophobicContact CD1-CE1 4.46Å; I52-Y131 VanDerWaalsContact CD1-OH 3.27Å; I52-Y131 WeakPolarHBondContact CD1-OH 3.36Å; N128-Y131 WeakPolarHBondContact O-CA 3.36Å; N128-Y131 WeakPolarHBondContact O-CB 3.5Å; N128-Y131 PolarHBondContact O-N 2.75Å; N129-Y131 PolarHBondContact O-N 2.76Å; Y131-D133 VanDerWaalsContact C-N 3.3Å; Y131-D133 PolarHBondContact O-N 3.09Å; Y131-H134 PolarHBondContact O-N 2.98Å; Y131-S135 VanDerWaalsContact CE1-OG 3.31Å; Y131-S135 WeakPolarHBondContact CE1-OG 3.38Å; Y131-S135 VanDerWaalsContact O-CB 3.32Å; Y131-S135 WeakPolarHBondContact O-CB 3.45Å; Y131-S135 PolarHBondContact O-N 3.46Å; Y131-S135 PolarHBondContact O-OG 3.44Å
132C76.2Confident75.5Confident24 Ų2457.4 Ų57.416%0.16229%0.291CS..Hα-helixtrans-58.6-43.5178.1-69.20000111.5V102 N128 N129 S135 L136V102-C132 HydrophobicContact CG1-CB 3.85Å; N128-C132 PolarHBondContact O-N 3.07Å; N129-C132 PolarHBondContact O-N 3.31Å; C132-S135 WeakPolarHBondContact O-CB 3.47Å; C132-S135 PolarHBondContact O-N 3.32Å; C132-L136 WeakPolarHBondContact O-CG 3.49Å; C132-L136 PolarHBondContact O-N 3.28Å
133D75.7Confident76.1Confident36 Ų3651.9 Ų51.919%0.19327%0.27CS..Hα-helixtrans-65.9-41.2176.6-172.559.5000112.4N129 Y131 R137 K166N129-D133 VanDerWaalsContact O-CB 3.22Å; N129-D133 WeakPolarHBondContact O-CB 3.29Å; N129-D133 PolarHBondContact O-N 3.46Å; Y131-D133 VanDerWaalsContact C-N 3.3Å; Y131-D133 PolarHBondContact O-N 3.09Å; D133-R137 WeakPolarHBondContact O-CB 3.45Å; D133-R137 VanDerWaalsContact O-CG 3.27Å; D133-R137 WeakPolarHBondContact O-CG 3.39Å; D133-R137 PolarHBondContact O-N 3.07Å; D133-R137 VanDerWaalsContact O-N 3.11Å; D133-R137 PolarHBondContact O-NE 3.28Å; D133-R137 VanDerWaalsContact O-NE 3.11Å; D133-R137 IonicContact OD2-CZ 2.97Å; D133-R137 IonicContact OD2-NE 3.29Å; D133-R137 PolarHBondContact OD2-NE 3.17Å; D133-R137 IonicContact OD2-NH1 3.44Å; D133-R137 PolarHBondContact OD2-NH1 2.64Å; D133-R137 IonicContact OD2-NH2 2.99Å; D133-R137 PolarHBondContact OD2-NH2 2.95Å; D133-K166 IonicContact OD1-NZ 3.22Å; D133-K166 PolarHBondContact OD1-NZ 2.98Å; D133-K166 IonicContact OD2-NZ 3.87Å
134H74.8Confident76.5Confident93 Ų9346.3 Ų46.343%0.43124%0.24SC..Hα-helixtrans-63.4-41.5172.5-176.168.3000112.3A130 Y131 R137 L138A130-H134 VanDerWaalsContact O-CB 3.23Å; A130-H134 WeakPolarHBondContact O-CB 3.32Å; A130-H134 PolarHBondContact O-N 3.21Å; Y131-H134 PolarHBondContact O-N 2.98Å; H134-R137 PolarHBondContact O-N 3.42Å; H134-L138 WeakPolarHBondContact O-CG 3.39Å; H134-L138 PolarHBondContact O-N 3.42Å; H134-L138 VanDerWaalsContact O-N 3.13Å
135S72.6Confident76.3Confident12 Ų1242.2 Ų42.28%0.08422%0.223CC..Hα-helixtrans-63.3-45.2-179.4-57.10000112.1I52 Y131 C132 L138 I139I52-S135 WeakPolarHBondContact CD1-OG 3.32Å; Y131-S135 VanDerWaalsContact CE1-OG 3.31Å; Y131-S135 WeakPolarHBondContact CE1-OG 3.38Å; Y131-S135 VanDerWaalsContact O-CB 3.32Å; Y131-S135 WeakPolarHBondContact O-CB 3.45Å; Y131-S135 PolarHBondContact O-N 3.46Å; Y131-S135 PolarHBondContact O-OG 3.44Å; C132-S135 WeakPolarHBondContact O-CB 3.47Å; C132-S135 PolarHBondContact O-N 3.32Å; S135-L138 PolarHBondContact O-N 3.12Å; S135-I139 WeakPolarHBondContact O-CG1 3.39Å
136L75Confident76.5Confident32 Ų3239 Ų3917%0.16821%0.211CC..Hα-helixtrans-64.6-40.8175.7-70.6171.2000111.1A99 C132 L138 I139 Q140A99-L136 HydrophobicContact CB-CD1 4.13Å; A99-L136 HydrophobicContact CB-CD2 4.46Å; C132-L136 WeakPolarHBondContact O-CG 3.49Å; C132-L136 PolarHBondContact O-N 3.28Å; L136-L138 VanDerWaalsContact C-N 3.28Å; L136-L138 PolarHBondContact O-N 3.22Å; L136-I139 PolarHBondContact O-N 3.37Å; L136-I139 VanDerWaalsContact O-N 3.1Å; L136-Q140 WeakPolarHBondContact O-CB 3.42Å; L136-Q140 VanDerWaalsContact O-CG 3.23Å; L136-Q140 WeakPolarHBondContact O-CG 3.5Å; L136-Q140 PolarHBondContact O-N 3.02Å
137R71.8Confident76.8Confident82 Ų8235 Ų3531%0.30919%0.192SC..Hα-helixtrans-61.1-32.6177.6-79.5-179.1-69.1-167.7-2114.1D133 H134 I139 P141D133-R137 WeakPolarHBondContact O-CB 3.45Å; D133-R137 VanDerWaalsContact O-CG 3.27Å; D133-R137 WeakPolarHBondContact O-CG 3.39Å; D133-R137 PolarHBondContact O-N 3.07Å; D133-R137 VanDerWaalsContact O-N 3.11Å; D133-R137 PolarHBondContact O-NE 3.28Å; D133-R137 VanDerWaalsContact O-NE 3.11Å; D133-R137 IonicContact OD2-CZ 2.97Å; D133-R137 IonicContact OD2-NE 3.29Å; D133-R137 PolarHBondContact OD2-NE 3.17Å; D133-R137 IonicContact OD2-NH1 3.44Å; D133-R137 PolarHBondContact OD2-NH1 2.64Å; D133-R137 IonicContact OD2-NH2 2.99Å; D133-R137 PolarHBondContact OD2-NH2 2.95Å; H134-R137 PolarHBondContact O-N 3.42Å; R137-I139 VanDerWaalsContact C-N 3.34Å; R137-P141 WeakPolarHBondContact O-CD 3.47Å
138L72.2Confident76.5Confident45 Ų4530 Ų3024%0.23616%0.162CC..Hα-helixtrans-69.1-34176.1-73.8177.7000112.3Y31 H134 S135 L136Y31-L138 WeakPolarHBondContact OH-CB 3.49Å; H134-L138 WeakPolarHBondContact O-CG 3.39Å; H134-L138 PolarHBondContact O-N 3.42Å; H134-L138 VanDerWaalsContact O-N 3.13Å; S135-L138 PolarHBondContact O-N 3.12Å; L136-L138 VanDerWaalsContact C-N 3.28Å; L136-L138 PolarHBondContact O-N 3.22Å
139I74.8Confident76.1Confident4 Ų430.6 Ų30.62%0.02116%0.164CC..Hα-helixtrans-85.9-33.8-175.8-60.4166.7000111.3F51 I52 A55 L56 L59 L95 S135 L136 R137 L142 A143F51-I139 HydrophobicContact CE1-CD1 4.46Å; I52-I139 HydrophobicContact CG2-CD1 4.25Å; I52-I139 HydrophobicContact CG2-CG1 4.16Å; A55-I139 HydrophobicContact CB-CD1 3.83Å; A55-I139 HydrophobicContact CB-CG1 4.36Å; A55-I139 HydrophobicContact CB-CG2 4.41Å; L56-I139 HydrophobicContact CD2-CG1 4.22Å; L56-I139 HydrophobicContact CG-CG1 4.26Å; L59-I139 HydrophobicContact CD1-CG2 3.41Å; L59-I139 VanDerWaalsContact CD1-CG2 3.41Å; L95-I139 HydrophobicContact CD1-CG2 4.15Å; S135-I139 WeakPolarHBondContact O-CG1 3.39Å; L136-I139 PolarHBondContact O-N 3.37Å; L136-I139 VanDerWaalsContact O-N 3.1Å; R137-I139 VanDerWaalsContact C-N 3.34Å; I139-L142 PolarHBondContact O-N 3.46Å; I139-A143 PolarHBondContact O-N 2.91Å
140Q78.6Confident75.7Confident15 Ų1527.6 Ų27.67%0.0715%0.147CC..Hα-helixtrans-56.1-42.8-171.4-84.1169.8-23.800115.4L136 L142 A143 V144 L163L136-Q140 WeakPolarHBondContact O-CB 3.42Å; L136-Q140 VanDerWaalsContact O-CG 3.23Å; L136-Q140 WeakPolarHBondContact O-CG 3.5Å; L136-Q140 PolarHBondContact O-N 3.02Å; Q140-L142 PolarHBondContact O-N 3.23Å; Q140-A143 WeakPolarHBondContact O-CB 3.12Å; Q140-A143 PolarHBondContact O-N 3.22Å; Q140-A143 VanDerWaalsContact O-N 3.15Å; Q140-V144 WeakPolarHBondContact O-CG2 3.4Å; Q140-V144 PolarHBondContact O-N 3.08Å; Q140-L163 HydrophobicContact CB-CD1 3.84Å; Q140-L163 HydrophobicContact CB-CD2 3.88Å; Q140-L163 HydrophobicContact CB-CG 3.93Å; Q140-L163 VanDerWaalsContact OE1-CD2 3.31Å
141P76.5Confident75.4Confident23 Ų2324.3 Ų24.315%0.14912%0.121CC..Hα-helixtrans-60.2-44.4178.3-24.833.8000112.9Y29 R137 A143 V144 T145 L163 I181Y29-P141 HydrophobicContact CD1-CB 4.37Å; Y29-P141 HydrophobicContact CE1-CB 4.03Å; R137-P141 WeakPolarHBondContact O-CD 3.47Å; P141-A143 VanDerWaalsContact C-N 3.33Å; P141-A143 PolarHBondContact O-N 3.41Å; P141-V144 WeakPolarHBondContact O-CB 3.37Å; P141-V144 PolarHBondContact O-N 2.98Å; P141-T145 PolarHBondContact O-N 3.24Å; P141-T145 PolarHBondContact O-OG1 2.78Å; P141-L163 HydrophobicContact CG-CD1 4.22Å; P141-I181 HydrophobicContact CB-CD1 4.2Å; P141-I181 HydrophobicContact CG-CD1 4.2Å
142L74.2Confident75.5Confident20 Ų2023.8 Ų23.811%0.10512%0.121CC..Hα-helixtrans-66.3-35.7174.6-81.7153.2000111.9L56 L59 Q60 V63 I139 Q140 T145 C146L56-L142 HydrophobicContact CD2-CD1 3.45Å; L56-L142 VanDerWaalsContact CD2-CD1 3.45Å; L59-L142 HydrophobicContact CB-CB 4.11Å; L59-L142 HydrophobicContact CD1-CB 4.12Å; Q60-L142 HydrophobicContact CG-CD1 4.18Å; Q60-L142 HydrophobicContact CG-CD2 4.06Å; V63-L142 HydrophobicContact CG2-CD2 4.43Å; I139-L142 PolarHBondContact O-N 3.46Å; Q140-L142 PolarHBondContact O-N 3.23Å; L142-T145 PolarHBondContact O-N 2.77Å; L142-C146 WeakPolarHBondContact O-CB 3.48Å; L142-C146 PolarHBondContact O-N 3.3Å
143A82.2Confident76Confident2 Ų224.2 Ų24.22%0.01712%0.119CC..Hα-helixtrans-66.2-37.7174.700000112L59 L92 I139 Q140 P141 A147 F159L59-A143 HydrophobicContact CD1-CB 4.2Å; L92-A143 HydrophobicContact CD2-CB 4.25Å; I139-A143 PolarHBondContact O-N 2.91Å; Q140-A143 WeakPolarHBondContact O-CB 3.12Å; Q140-A143 PolarHBondContact O-N 3.22Å; Q140-A143 VanDerWaalsContact O-N 3.15Å; P141-A143 VanDerWaalsContact C-N 3.33Å; P141-A143 PolarHBondContact O-N 3.41Å; A143-A147 WeakPolarHBondContact O-CB 3.49Å; A143-A147 PolarHBondContact O-N 3.46Å; A143-F159 HydrophobicContact CB-CD2 4.06Å; A143-F159 HydrophobicContact CB-CE2 4.22Å
144V81.6Confident76.6Confident0 Ų025.7 Ų25.70%014%0.137CC..Hα-helixtrans-61.8-52.5172.91710000110.1Q140 P141 C146 A147 V148 F159 A160 L163 S184Q140-V144 WeakPolarHBondContact O-CG2 3.4Å; Q140-V144 PolarHBondContact O-N 3.08Å; P141-V144 WeakPolarHBondContact O-CB 3.37Å; P141-V144 PolarHBondContact O-N 2.98Å; V144-C146 PolarHBondContact O-N 2.61Å; V144-A147 PolarHBondContact O-N 3.17Å; V144-V148 WeakPolarHBondContact O-CG2 3.33Å; V144-V148 PolarHBondContact O-N 3.1Å; V144-F159 HydrophobicContact CG2-CB 3.53Å; V144-A160 HydrophobicContact CG1-CB 4.31Å; V144-A160 HydrophobicContact CG2-CB 4Å; V144-L163 HydrophobicContact CG2-CD1 4.34Å; V144-S184 VanDerWaalsContact CG1-CB 3.49Å
145T74.6Confident77.2Confident9 Ų921.7 Ų21.76%0.05512%0.118CC..Hα-helixtrans-60.6-44.7180-59.30000111.9L24 Y29 V63 P141 L142 A147 V148 Q149L24-T145 HydrophobicContact CD1-CG2 4.26Å; L24-T145 HydrophobicContact CD2-CG2 3.96Å; Y29-T145 PolarHBondContact OH-OG1 2.63Å; V63-T145 HydrophobicContact CG1-CG2 3.89Å; V63-T145 HydrophobicContact CG2-CG2 4.31Å; P141-T145 PolarHBondContact O-N 3.24Å; P141-T145 PolarHBondContact O-OG1 2.78Å; L142-T145 PolarHBondContact O-N 2.77Å; T145-A147 PolarHBondContact O-N 3.06Å; T145-V148 PolarHBondContact O-N 3.44Å; T145-Q149 WeakPolarHBondContact O-CB 3.22Å; T145-Q149 PolarHBondContact O-N 3.11Å
146C77.8Confident77.9Confident0 Ų021.1 Ų21.10%011%0.114CC..Hα-helixtrans-60.9-44.1175-176.20000111.5L59 V63 L92 L142 V144 V148 Q149 Y150L59-C146 HydrophobicContact CD2-CB 3.96Å; V63-C146 HydrophobicContact CG2-CB 3.96Å; L92-C146 HydrophobicContact CD2-CB 4.49Å; L142-C146 WeakPolarHBondContact O-CB 3.48Å; L142-C146 PolarHBondContact O-N 3.3Å; V144-C146 PolarHBondContact O-N 2.61Å; C146-V148 PolarHBondContact O-N 3.46Å; C146-Q149 PolarHBondContact O-N 2.78Å; C146-Y150 VanDerWaalsContact O-CD2 3.26Å; C146-Y150 WeakPolarHBondContact O-CD2 3.41Å; C146-Y150 PolarHBondContact O-N 3.43Å; C146-Y150 VanDerWaalsContact O-N 3.1Å
147A81.1Confident78.6Confident0 Ų021.1 Ų21.10%012%0.115CC..Hα-helixtrans-62.1-41177.900000112.2L92 A143 V144 T145 G151 E152 A156L92-A147 HydrophobicContact CD1-CB 3.86Å; L92-A147 HydrophobicContact CD2-CB 4.35Å; A143-A147 WeakPolarHBondContact O-CB 3.49Å; A143-A147 PolarHBondContact O-N 3.46Å; V144-A147 PolarHBondContact O-N 3.17Å; T145-A147 PolarHBondContact O-N 3.06Å; A147-G151 CarbonylContact O-C 3.6Å; A147-G151 WeakPolarHBondContact O-CA 3.4Å; A147-G151 PolarHBondContact O-N 3.23Å; A147-E152 HydrophobicContact CB-CB 4.2Å; A147-E152 CarbonylContact O-C 3.4Å; A147-E152 WeakPolarHBondContact O-CA 3.15Å; A147-E152 PolarHBondContact O-N 3.38Å; A147-A156 HydrophobicContact CB-CB 3.72Å
148V74.3Confident79.5Confident6 Ų618.9 Ų18.94%0.03611%0.109CC..Hα-helixtrans-65.1-44.4174.8175.10000111.6V144 T145 C146 Y150 G151 Y153 A156 S184 R187 A188V144-V148 WeakPolarHBondContact O-CG2 3.33Å; V144-V148 PolarHBondContact O-N 3.1Å; T145-V148 PolarHBondContact O-N 3.44Å; C146-V148 PolarHBondContact O-N 3.46Å; V148-Y150 PolarHBondContact O-N 3.24Å; V148-G151 PolarHBondContact O-N 2.64Å; V148-G151 VanDerWaalsContact O-N 3.15Å; V148-Y153 HydrophobicContact CG1-CE1 4.37Å; V148-A156 HydrophobicContact CG2-CB 3.7Å; V148-S184 WeakPolarHBondContact CG2-O 3.26Å; V148-R187 HydrophobicContact CG1-CG 4.15Å; V148-A188 HydrophobicContact CG2-CB 4.21Å
149Q71.5Confident80.2Confident37 Ų3717 Ų1717%0.17310%0.099CC..Hα-helixtrans-63.7-37.9-176.2-172.4176.63.200113.7L24 L62 T145 C146L24-Q149 HydrophobicContact CD1-CB 3.82Å; L24-Q149 HydrophobicContact CD1-CG 3.75Å; L62-Q149 PolarHBondContact O-OE1 3.38Å; T145-Q149 WeakPolarHBondContact O-CB 3.22Å; T145-Q149 PolarHBondContact O-N 3.11Å; C146-Q149 PolarHBondContact O-N 2.78Å
150Y70.4Confident80.7Confident1 Ų116.9 Ų16.90%0.00410%0.098CC..THydrogen-bonded Turntrans-988.6177.6-62.3-76.6000112.9H9 L62 F81 R84 W85 S88 C146 V148 E152H9-Y150 PolarHBondContact NE2-O 2.82Å; L62-Y150 HydrophobicContact CB-CE2 4.02Å; L62-Y150 HydrophobicContact CD2-CE2 4.35Å; L62-Y150 PolarHBondContact O-OH 3.09Å; F81-Y150 HydrophobicContact CE2-CD1 4.29Å; F81-Y150 HydrophobicContact CE2-CE1 4Å; R84-Y150 HydrophobicContact CB-CE1 3.99Å; W85-Y150 HydrophobicContact CB-CD1 3.99Å; W85-Y150 HydrophobicContact CB-CE1 4.44Å; W85-Y150 HydrophobicContact CG-CD1 4.43Å; W85-Y150 PolarHBondContact NE1-O 3Å; S88-Y150 WeakPolarHBondContact OG-CB 3.29Å; S88-Y150 VanDerWaalsContact OG-CG 3.29Å; C146-Y150 VanDerWaalsContact O-CD2 3.26Å; C146-Y150 WeakPolarHBondContact O-CD2 3.41Å; C146-Y150 PolarHBondContact O-N 3.43Å; C146-Y150 VanDerWaalsContact O-N 3.1Å; V148-Y150 PolarHBondContact O-N 3.24Å; Y150-E152 PolarHBondContact O-N 2.95Å
151G70.1Confident80.9Confident9 Ų918.2 Ų18.29%0.09311%0.109CC..THydrogen-bonded Turntrans66.228.317300000117H9 A147 V148 Y153H9-G151 WeakPolarHBondContact NE2-CA 3.31Å; A147-G151 CarbonylContact O-C 3.6Å; A147-G151 WeakPolarHBondContact O-CA 3.4Å; A147-G151 PolarHBondContact O-N 3.23Å; V148-G151 PolarHBondContact O-N 2.64Å; V148-G151 VanDerWaalsContact O-N 3.15Å; G151-Y153 WeakPolarHBondContact O-CD2 2.97Å; G151-Y153 PolarHBondContact O-N 3Å
152E80.4Confident81.1Confident50 Ų5019.8 Ų19.823%0.23411%0.114CC..  trans-80.757.9163.7-74.4-58.8137.500111.7Q89 L92 A147 Y150 A154 M155 A156Q89-E152 VanDerWaalsContact CD-OE1 3.26Å; Q89-E152 VanDerWaalsContact NE2-CG 3.34Å; Q89-E152 PolarHBondContact NE2-OE1 2.66Å; Q89-E152 PolarHBondContact OE1-OE1 3.08Å; L92-E152 HydrophobicContact CD1-CB 4.05Å; L92-E152 HydrophobicContact CD1-CG 4.2Å; A147-E152 HydrophobicContact CB-CB 4.2Å; A147-E152 CarbonylContact O-C 3.4Å; A147-E152 WeakPolarHBondContact O-CA 3.15Å; A147-E152 PolarHBondContact O-N 3.38Å; Y150-E152 PolarHBondContact O-N 2.95Å; E152-A154 VanDerWaalsContact C-N 3.3Å; E152-A154 PolarHBondContact O-N 3.34Å; E152-M155 HydrophobicContact CB-CB 4.45Å; E152-M155 HydrophobicContact CB-CE 3.67Å; E152-M155 HydrophobicContact CG-CE 3.55Å; E152-M155 PolarHBondContact O-N 3.48Å; E152-M155 VanDerWaalsContact O-N 3.1Å; E152-M155 WeakPolarHBondContact OE2-CE 3.34Å; E152-A156 PolarHBondContact O-N 2.95Å
153Y85.4Confident81.2Confident32 Ų3219.4 Ų19.413%0.12511%0.112CC..Hα-helixtrans-59.1-37-171.6-54.6-58.7000113.3H9 V148 G151 M155 A156 V157 A188 E191H9-Y153 AromaticContact CE1-CE2 3.73Å; V148-Y153 HydrophobicContact CG1-CE1 4.37Å; G151-Y153 WeakPolarHBondContact O-CD2 2.97Å; G151-Y153 PolarHBondContact O-N 3Å; Y153-M155 VanDerWaalsContact C-N 3.32Å; Y153-M155 PolarHBondContact O-N 3.3Å; Y153-A156 WeakPolarHBondContact O-CB 3.41Å; Y153-A156 PolarHBondContact O-N 3.36Å; Y153-A156 VanDerWaalsContact O-N 3.14Å; Y153-V157 WeakPolarHBondContact O-CG2 3.38Å; Y153-V157 PolarHBondContact O-N 2.83Å; Y153-A188 HydrophobicContact CD1-CB 4.12Å; Y153-E191 HydrophobicContact CD1-CB 4.06Å; Y153-E191 HydrophobicContact CD1-CG 4.41Å; Y153-E191 HydrophobicContact CD2-CB 3.54Å; Y153-E191 HydrophobicContact CD2-CG 4.46Å; Y153-E191 HydrophobicContact CE1-CB 3.92Å; Y153-E191 HydrophobicContact CE1-CG 3.86Å; Y153-E191 HydrophobicContact CE2-CB 3.38Å; Y153-E191 HydrophobicContact CE2-CG 3.92Å; Y153-E191 HydrophobicContact CG-CB 3.88Å
154A88.5Confident80.8Confident68 Ų6820.7 Ų20.756%0.56212%0.121SC*.Hα-helixtrans-62.7-39.1178.600000112.2E152 E158E152-A154 VanDerWaalsContact C-N 3.3Å; E152-A154 PolarHBondContact O-N 3.34Å; A154-E158 PolarHBondContact O-N 2.87Å; A154-E158 VanDerWaalsContact O-N 3.12Å
155M88.2Confident80.1Confident8 Ų827.6 Ų27.64%0.03916%0.157CC..Hα-helixtrans-72.3-35.6174-72.4-165.9-76.200111.6L92 P93 E152 Y153 V157 E158 F159L92-M155 HydrophobicContact CB-CE 3.57Å; L92-M155 HydrophobicContact CB-SD 3.91Å; L92-M155 HydrophobicContact CD1-CE 4.31Å; P93-M155 HydrophobicContact CG-CE 3.88Å; P93-M155 HydrophobicContact CG-SD 4.07Å; E152-M155 HydrophobicContact CB-CB 4.45Å; E152-M155 HydrophobicContact CB-CE 3.67Å; E152-M155 HydrophobicContact CG-CE 3.55Å; E152-M155 PolarHBondContact O-N 3.48Å; E152-M155 VanDerWaalsContact O-N 3.1Å; E152-M155 WeakPolarHBondContact OE2-CE 3.34Å; Y153-M155 VanDerWaalsContact C-N 3.32Å; Y153-M155 PolarHBondContact O-N 3.3Å; M155-V157 VanDerWaalsContact C-N 3.34Å; M155-V157 PolarHBondContact O-N 3.41Å; M155-E158 PolarHBondContact O-N 3.46Å; M155-F159 HydrophobicContact CB-CD2 4.37Å; M155-F159 HydrophobicContact CB-CE2 4.06Å; M155-F159 WeakPolarHBondContact O-CD2 3.41Å; M155-F159 WeakPolarHBondContact O-CG 3.24Å; M155-F159 PolarHBondContact O-N 3.21Å
156A86.8Confident79.5Confident0 Ų031.3 Ų31.30%017%0.172CC..Hα-helixtrans-57.9-46.7173.300000111.4A147 V148 E152 Y153 F159 A160 A188A147-A156 HydrophobicContact CB-CB 3.72Å; V148-A156 HydrophobicContact CG2-CB 3.7Å; E152-A156 PolarHBondContact O-N 2.95Å; Y153-A156 WeakPolarHBondContact O-CB 3.41Å; Y153-A156 PolarHBondContact O-N 3.36Å; Y153-A156 VanDerWaalsContact O-N 3.14Å; A156-F159 PolarHBondContact O-N 3.12Å; A156-A160 WeakPolarHBondContact O-CB 3.15Å; A156-A160 PolarHBondContact O-N 3.03Å; A156-A188 HydrophobicContact CB-CB 3.9Å
157V90.6Very high78.1Confident32 Ų3239.3 Ų39.319%0.19421%0.21CC..Hα-helixtrans-62.2-43.3175.9175.60000111.5Y153 M155 A160 S161 L185 A188 L189 I192Y153-V157 WeakPolarHBondContact O-CG2 3.38Å; Y153-V157 PolarHBondContact O-N 2.83Å; M155-V157 VanDerWaalsContact C-N 3.34Å; M155-V157 PolarHBondContact O-N 3.41Å; V157-A160 PolarHBondContact O-N 3.44Å; V157-S161 VanDerWaalsContact O-CB 3.23Å; V157-S161 WeakPolarHBondContact O-CB 3.47Å; V157-S161 PolarHBondContact O-N 3.2Å; V157-S161 PolarHBondContact O-OG 2.76Å; V157-L185 HydrophobicContact CB-CD1 4.19Å; V157-L185 HydrophobicContact CG1-CD1 4.03Å; V157-L185 HydrophobicContact CG2-CD1 4Å; V157-A188 HydrophobicContact CG2-CB 3.86Å; V157-L189 HydrophobicContact CG1-CD2 4.08Å; V157-L189 HydrophobicContact CG2-CD2 3.72Å; V157-L189 HydrophobicContact CG2-CG 3.97Å; V157-I192 HydrophobicContact CG2-CD1 3.74Å
158E89Confident76.6Confident36 Ų3643.1 Ų43.117%0.16823%0.233CC..Hα-helixtrans-62.1-47.8177.2-179173156.700111.9R96 A154 M155 S161 Q162R96-E158 IonicContact CZ-OE2 3.7Å; R96-E158 VanDerWaalsContact NE-CD 3.33Å; R96-E158 IonicContact NE-OE1 3.34Å; R96-E158 PolarHBondContact NE-OE1 3.37Å; R96-E158 IonicContact NE-OE2 2.67Å; R96-E158 PolarHBondContact NE-OE2 3.49Å; R96-E158 IonicContact NH2-OE2 3.6Å; R96-E158 PolarHBondContact NH2-OE2 3.08Å; A154-E158 PolarHBondContact O-N 2.87Å; A154-E158 VanDerWaalsContact O-N 3.12Å; M155-E158 PolarHBondContact O-N 3.46Å; E158-S161 WeakPolarHBondContact CA-OG 3.24Å; E158-S161 PolarHBondContact O-OG 3.32Å; E158-Q162 WeakPolarHBondContact O-CB 3.31Å; E158-Q162 VanDerWaalsContact O-CG 3.24Å; E158-Q162 WeakPolarHBondContact O-CG 3.25Å; E158-Q162 PolarHBondContact O-N 3.49Å; E158-Q162 VanDerWaalsContact O-N 3.08Å
159F87.1Confident75.5Confident6 Ų644.8 Ų44.83%0.02624%0.24CC..Hα-helixtrans-67.1-40.7179.1-65.9-43.5000112.1L92 L95 R96 A143 V144 M155 A156 Q162 L163L92-F159 HydrophobicContact CD2-CE2 4.23Å; L95-F159 HydrophobicContact CB-CZ 4.47Å; R96-F159 HydrophobicContact CB-CE1 4.25Å; R96-F159 HydrophobicContact CB-CZ 3.97Å; A143-F159 HydrophobicContact CB-CD2 4.06Å; A143-F159 HydrophobicContact CB-CE2 4.22Å; V144-F159 HydrophobicContact CG2-CB 3.53Å; M155-F159 HydrophobicContact CB-CD2 4.37Å; M155-F159 HydrophobicContact CB-CE2 4.06Å; M155-F159 WeakPolarHBondContact O-CD2 3.41Å; M155-F159 WeakPolarHBondContact O-CG 3.24Å; M155-F159 PolarHBondContact O-N 3.21Å; A156-F159 PolarHBondContact O-N 3.12Å; F159-Q162 PolarHBondContact O-N 2.98Å; F159-L163 WeakPolarHBondContact O-CG 3.26Å; F159-L163 PolarHBondContact O-N 3.45Å
160A84.9Confident74.4Confident0 Ų046.2 Ų46.20%025%0.248CC..Hα-helixtrans-67.2-43.5177.700000111.9V144 A156 V157 Q162 L163 C164 I181 L185V144-A160 HydrophobicContact CG1-CB 4.31Å; V144-A160 HydrophobicContact CG2-CB 4Å; A156-A160 WeakPolarHBondContact O-CB 3.15Å; A156-A160 PolarHBondContact O-N 3.03Å; V157-A160 PolarHBondContact O-N 3.44Å; A160-Q162 VanDerWaalsContact C-N 3.34Å; A160-Q162 PolarHBondContact O-N 3.27Å; A160-L163 WeakPolarHBondContact O-CB 3.41Å; A160-L163 PolarHBondContact O-N 3.36Å; A160-L163 VanDerWaalsContact O-N 3.11Å; A160-C164 PolarHBondContact O-N 3.27Å; A160-C164 PolarHBondContact O-SG 3.3Å; A160-I181 HydrophobicContact CB-CG2 4.15Å; A160-L185 HydrophobicContact CB-CB 4.01Å; A160-L185 HydrophobicContact CB-CD1 3.92Å; A160-L185 HydrophobicContact CB-CD2 4.49Å; A160-L185 HydrophobicContact CB-CG 4.36Å
161S84Confident73.3Confident44 Ų4453.2 Ų53.231%0.30828%0.279SS..Hα-helixtrans-63-39176.758.30000112.4V157 E158 L163 C164 L165V157-S161 VanDerWaalsContact O-CB 3.23Å; V157-S161 WeakPolarHBondContact O-CB 3.47Å; V157-S161 PolarHBondContact O-N 3.2Å; V157-S161 PolarHBondContact O-OG 2.76Å; E158-S161 WeakPolarHBondContact CA-OG 3.24Å; E158-S161 PolarHBondContact O-OG 3.32Å; S161-L163 VanDerWaalsContact C-N 3.27Å; S161-L163 PolarHBondContact O-N 3.48Å; S161-C164 PolarHBondContact O-N 3.29Å; S161-L165 WeakPolarHBondContact O-CB 3.19Å; S161-L165 WeakPolarHBondContact O-CG 3.33Å; S161-L165 PolarHBondContact O-N 3.08Å
162Q79.8Confident72.2Confident55 Ų5560.9 Ų60.926%0.25731%0.31SS..Hα-helixtrans-61-35.2173.2-74.6174.313.700112.8E158 F159 A160E158-Q162 WeakPolarHBondContact O-CB 3.31Å; E158-Q162 VanDerWaalsContact O-CG 3.24Å; E158-Q162 WeakPolarHBondContact O-CG 3.25Å; E158-Q162 PolarHBondContact O-N 3.49Å; E158-Q162 VanDerWaalsContact O-N 3.08Å; F159-Q162 PolarHBondContact O-N 2.98Å; A160-Q162 VanDerWaalsContact C-N 3.34Å; A160-Q162 PolarHBondContact O-N 3.27Å
163L76.8Confident71Confident13 Ų1360.9 Ų60.97%0.06832%0.323CS..Hα-helixtrans-70.1-43.4173.4-72.8167.8000111.4Q140 P141 V144 F159 A160 S161 F169 I181Q140-L163 HydrophobicContact CB-CD1 3.84Å; Q140-L163 HydrophobicContact CB-CD2 3.88Å; Q140-L163 HydrophobicContact CB-CG 3.93Å; Q140-L163 VanDerWaalsContact OE1-CD2 3.31Å; P141-L163 HydrophobicContact CG-CD1 4.22Å; V144-L163 HydrophobicContact CG2-CD1 4.34Å; F159-L163 WeakPolarHBondContact O-CG 3.26Å; F159-L163 PolarHBondContact O-N 3.45Å; A160-L163 WeakPolarHBondContact O-CB 3.41Å; A160-L163 PolarHBondContact O-N 3.36Å; A160-L163 VanDerWaalsContact O-N 3.11Å; S161-L163 VanDerWaalsContact C-N 3.27Å; S161-L163 PolarHBondContact O-N 3.48Å; L163-F169 WeakPolarHBondContact O-CB 3.34Å; L163-I181 HydrophobicContact CD1-CD1 3.78Å; L163-I181 HydrophobicContact CD1-CG1 4.37Å; L163-I181 HydrophobicContact CD1-CG2 4.47Å
164C72.8Confident69.8Low28 Ų2866 Ų6619%0.18935%0.348CS..Hα-helixtrans-67.4-37.1-178.6-68.50000113.6A160 S161 K166 L170A160-C164 PolarHBondContact O-N 3.27Å; A160-C164 PolarHBondContact O-SG 3.3Å; S161-C164 PolarHBondContact O-N 3.29Å; C164-K166 VanDerWaalsContact C-N 3.28Å; C164-K166 PolarHBondContact O-N 3.36Å; C164-L170 HydrophobicContact CB-CD1 4.17Å; C164-L170 VanDerWaalsContact O-CD1 3.3Å; C164-L170 WeakPolarHBondContact O-CD1 3.4Å
165L67.5Low68.6Low146 Ų14666.5 Ų66.576%0.76434%0.341SS*.THydrogen-bonded Turntrans-70.6-16.2-175.2-76.3169.6000114.8S161S161-L165 WeakPolarHBondContact O-CB 3.19Å; S161-L165 WeakPolarHBondContact O-CG 3.33Å; S161-L165 PolarHBondContact O-N 3.08Å
166K62.3Low67.4Low86 Ų8670.4 Ų70.437%0.37436%0.359SS..SBendtrans-94.5114.7-178.3-69.1-178.9177.5169.30109.8D133 C164 T168 F169D133-K166 IonicContact OD1-NZ 3.22Å; D133-K166 PolarHBondContact OD1-NZ 2.98Å; D133-K166 IonicContact OD2-NZ 3.87Å; C164-K166 VanDerWaalsContact C-N 3.28Å; C164-K166 PolarHBondContact O-N 3.36Å; K166-T168 PolarHBondContact O-N 3.24Å; K166-F169 PolarHBondContact O-N 3.14Å
167E48.1Very low66.5Low168 Ų16871.6 Ų71.679%0.78537%0.367SS*.THydrogen-bonded Turntrans-43.1-13.2-167.8-68.4179.8152.200118F171E167-F171 WeakPolarHBondContact O-CD2 3.37Å
168T50Low65.4Low80 Ų8071.1 Ų71.149%0.49136%0.362SS..Hα-helixtrans-81.7-36.6174.250.70000112.9K166 K172K166-T168 PolarHBondContact O-N 3.24Å; T168-K172 CarbonylContact O-C 3.6Å; T168-K172 VanDerWaalsContact O-CA 3.3Å; T168-K172 WeakPolarHBondContact O-CA 3.45Å; T168-K172 PolarHBondContact O-N 3.08Å
169F51.7Low64.6Low42 Ų4271.5 Ų71.518%0.18436%0.362CS..Hα-helixtrans-75.5-44.3-167.6-168.5-102.2000114L163 K166 P177 K178 I181L163-F169 WeakPolarHBondContact O-CB 3.34Å; K166-F169 PolarHBondContact O-N 3.14Å; F169-P177 HydrophobicContact CE2-CB 4.3Å; F169-P177 HydrophobicContact CZ-CB 4.47Å; F169-K178 HydrophobicContact CD1-CG 4.49Å; F169-K178 HydrophobicContact CE1-CB 4.21Å; F169-K178 HydrophobicContact CE1-CG 4.04Å; F169-K178 HydrophobicContact CE2-CG 4.36Å; F169-K178 VanDerWaalsContact CZ-CA 3.47Å; F169-K178 HydrophobicContact CZ-CB 4.21Å; F169-K178 HydrophobicContact CZ-CG 3.96Å; F169-K178 WeakPolarHBondContact O-CD 3.37Å; F169-K178 WeakPolarHBondContact O-CE 3.26Å; F169-K178 PolarHBondContact O-NZ 3.09Å; F169-I181 HydrophobicContact CE1-CB 4.08Å; F169-I181 HydrophobicContact CE1-CD1 3.82Å; F169-I181 HydrophobicContact CE1-CG2 4.19Å; F169-I181 HydrophobicContact CE2-CD1 3.73Å; F169-I181 HydrophobicContact CZ-CB 4.09Å; F169-I181 HydrophobicContact CZ-CD1 3.19Å; F169-I181 HydrophobicContact CZ-CG1 4.13Å
170L47.5Very low63.9Low66 Ų6671.4 Ų71.435%0.34636%0.362SS..Hα-helixtrans-74.2-32.6177.7-76167.6000112.4C164 K178C164-L170 HydrophobicContact CB-CD1 4.17Å; C164-L170 VanDerWaalsContact O-CD1 3.3Å; C164-L170 WeakPolarHBondContact O-CD1 3.4Å; L170-K178 PolarHBondContact O-NZ 3.42Å
171F47.2Very low63.4Low148 Ų14871.4 Ų71.465%0.64936%0.362SS*.Hα-helixtrans-102.7-22.9-172-58.4-78.5000115E167E167-F171 WeakPolarHBondContact O-CD2 3.37Å
172K48.5Very low63.2Low171 Ų17170 Ų7074%0.74335%0.351SS*.SBendtrans-144.5102.3-175.4-70.5-176.8179175.40113.2T168T168-K172 CarbonylContact O-C 3.6Å; T168-K172 VanDerWaalsContact O-CA 3.3Å; T168-K172 WeakPolarHBondContact O-CA 3.45Å; T168-K172 PolarHBondContact O-N 3.08Å
173G54.9Low63.1Low50 Ų5068.6 Ų68.652%0.51534%0.344SS..SBendtrans170.6169176.800000112.5
174Q58.9Low63.1Low140 Ų14068.6 Ų68.665%0.65435%0.345SS*.  trans-59.1137.9175.2-69.2-177.4-16.500110.3Q176 P177Q174-Q176 VanDerWaalsContact C-N 3.31Å; Q174-Q176 PolarHBondContact O-N 3.23Å; Q174-P177 HydrophobicContact CB-CG 4.28Å; Q174-P177 WeakPolarHBondContact O-CD 2.82Å
175L63.5Low63.7Low77 Ų7767.8 Ų67.840%0.40334%0.339SS..Hα-helixtrans-61.4-36.7-175.9-108.399.3000112.9K178 R179L175-K178 WeakPolarHBondContact O-CB 3.49Å; L175-K178 PolarHBondContact O-N 3.49Å; L175-R179 WeakPolarHBondContact O-CG 3.43Å; L175-R179 PolarHBondContact O-N 3.32Å; L175-R179 VanDerWaalsContact O-N 3.11Å
176Q64.6Low64.6Low90 Ų9060.9 Ų60.942%0.42130%0.303SS..Hα-helixtrans-63.7-52.1-173.3-71.6-64.2-6.500113.2Q174 K178 R179 C180Q174-Q176 VanDerWaalsContact C-N 3.31Å; Q174-Q176 PolarHBondContact O-N 3.23Å; Q176-K178 PolarHBondContact O-N 3.08Å; Q176-R179 WeakPolarHBondContact O-CB 3.49Å; Q176-R179 PolarHBondContact O-N 3.39Å; Q176-R179 VanDerWaalsContact O-N 3.08Å; Q176-C180 PolarHBondContact O-N 3.06Å; Q176-C180 PolarHBondContact O-SG 3.28Å
177P66.2Low65.4Low26 Ų2659.5 Ų59.517%0.16930%0.295CS..Hα-helixtrans-54.5-37.5174.3-28.433.1000114.2Y29 F169 Q174 C180 I181Y29-P177 HydrophobicContact CD1-CB 4.33Å; F169-P177 HydrophobicContact CE2-CB 4.3Å; F169-P177 HydrophobicContact CZ-CB 4.47Å; Q174-P177 HydrophobicContact CB-CG 4.28Å; Q174-P177 WeakPolarHBondContact O-CD 2.82Å; P177-C180 PolarHBondContact O-N 2.76Å; P177-I181 PolarHBondContact O-N 3.42Å; P177-I181 VanDerWaalsContact O-N 3.13Å
178K68.8Low67.2Low21 Ų2151.5 Ų51.59%0.09126%0.258CS..Hα-helixtrans-62.2-46.7176.8-60.7-171.5-161.9-172.70111.6F169 L170 L175 Q176 C180 L182F169-K178 HydrophobicContact CD1-CG 4.49Å; F169-K178 HydrophobicContact CE1-CB 4.21Å; F169-K178 HydrophobicContact CE1-CG 4.04Å; F169-K178 HydrophobicContact CE2-CG 4.36Å; F169-K178 VanDerWaalsContact CZ-CA 3.47Å; F169-K178 HydrophobicContact CZ-CB 4.21Å; F169-K178 HydrophobicContact CZ-CG 3.96Å; F169-K178 WeakPolarHBondContact O-CD 3.37Å; F169-K178 WeakPolarHBondContact O-CE 3.26Å; F169-K178 PolarHBondContact O-NZ 3.09Å; L170-K178 PolarHBondContact O-NZ 3.42Å; L175-K178 WeakPolarHBondContact O-CB 3.49Å; L175-K178 PolarHBondContact O-N 3.49Å; Q176-K178 PolarHBondContact O-N 3.08Å; K178-C180 VanDerWaalsContact C-N 3.34Å; K178-C180 PolarHBondContact O-N 2.91Å; K178-L182 VanDerWaalsContact O-CB 3.26Å; K178-L182 WeakPolarHBondContact O-CB 3.42Å; K178-L182 PolarHBondContact O-N 2.99Å
179R72.3Confident69.1Low45 Ų4548.2 Ų48.217%0.1724%0.237CC..Hα-helixtrans-58.5-47176-69.2175.1-178.8-153.4-7.6110.8L175 Q176 I181 L182 F183 L209 D211 M212L175-R179 WeakPolarHBondContact O-CG 3.43Å; L175-R179 PolarHBondContact O-N 3.32Å; L175-R179 VanDerWaalsContact O-N 3.11Å; Q176-R179 WeakPolarHBondContact O-CB 3.49Å; Q176-R179 PolarHBondContact O-N 3.39Å; Q176-R179 VanDerWaalsContact O-N 3.08Å; R179-I181 PolarHBondContact O-N 2.97Å; R179-L182 CarbonylContact O-C 3.59Å; R179-L182 PolarHBondContact O-N 3.32Å; R179-F183 VanDerWaalsContact C-CD2 3.48Å; R179-F183 HydrophobicContact CB-CD2 4.23Å; R179-F183 HydrophobicContact CB-CE2 3.95Å; R179-F183 WeakPolarHBondContact O-CD2 3.44Å; R179-F183 WeakPolarHBondContact O-CG 3.36Å; R179-F183 PolarHBondContact O-N 3.2Å; R179-L209 HydrophobicContact CG-CD2 4.02Å; R179-D211 IonicContact CZ-OD1 2.93Å; R179-D211 IonicContact CZ-OD2 2.73Å; R179-D211 IonicContact NH1-OD2 2.6Å; R179-D211 PolarHBondContact NH1-OD2 3.25Å; R179-D211 VanDerWaalsContact NH2-CG 3.27Å; R179-D211 IonicContact NH2-OD1 3.72Å; R179-D211 PolarHBondContact NH2-OD1 3.43Å; R179-D211 VanDerWaalsContact NH2-OD1 3.16Å; R179-D211 IonicContact NH2-OD2 3.98Å; R179-D211 PolarHBondContact NH2-OD2 3.38Å; R179-M212 HydrophobicContact CG-SD 4.34Å
180C71.2Confident70.7Confident3 Ų346.8 Ų46.82%0.0223%0.233CC..Hα-helixtrans-59.7-46.4-177.7-55.70000113.4F27 Y29 Q176 P177 K178 L182 F183 S184F27-C180 HydrophobicContact CB-CB 4.44Å; F27-C180 WeakPolarHBondContact CB-SG 3.45Å; F27-C180 HydrophobicContact CD2-CB 4.15Å; F27-C180 WeakPolarHBondContact CD2-SG 3.42Å; F27-C180 HydrophobicContact CG-CB 4.46Å; F27-C180 WeakPolarHBondContact CG-SG 3.46Å; Y29-C180 HydrophobicContact CE1-CB 3.72Å; Q176-C180 PolarHBondContact O-N 3.06Å; Q176-C180 PolarHBondContact O-SG 3.28Å; P177-C180 PolarHBondContact O-N 2.76Å; K178-C180 VanDerWaalsContact C-N 3.34Å; K178-C180 PolarHBondContact O-N 2.91Å; C180-L182 VanDerWaalsContact C-N 3.35Å; C180-F183 PolarHBondContact O-N 3.39Å; C180-S184 WeakPolarHBondContact O-CB 3.49Å; C180-S184 PolarHBondContact O-N 2.91Å; C180-S184 PolarHBondContact O-OG 2.97Å
181I75.4Confident72.4Confident0 Ų047.2 Ų47.20%023%0.233CC..Hα-helixtrans-68.3-39.8178.5-73.6162.2000110.1P141 A160 L163 F169 P177 R179 S184 L185P141-I181 HydrophobicContact CB-CD1 4.2Å; P141-I181 HydrophobicContact CG-CD1 4.2Å; A160-I181 HydrophobicContact CB-CG2 4.15Å; L163-I181 HydrophobicContact CD1-CD1 3.78Å; L163-I181 HydrophobicContact CD1-CG1 4.37Å; L163-I181 HydrophobicContact CD1-CG2 4.47Å; F169-I181 HydrophobicContact CE1-CB 4.08Å; F169-I181 HydrophobicContact CE1-CD1 3.82Å; F169-I181 HydrophobicContact CE1-CG2 4.19Å; F169-I181 HydrophobicContact CE2-CD1 3.73Å; F169-I181 HydrophobicContact CZ-CB 4.09Å; F169-I181 HydrophobicContact CZ-CD1 3.19Å; F169-I181 HydrophobicContact CZ-CG1 4.13Å; P177-I181 PolarHBondContact O-N 3.42Å; P177-I181 VanDerWaalsContact O-N 3.13Å; R179-I181 PolarHBondContact O-N 2.97Å; I181-S184 PolarHBondContact O-N 2.79Å; I181-L185 VanDerWaalsContact O-CB 3.23Å; I181-L185 WeakPolarHBondContact O-CB 3.46Å; I181-L185 PolarHBondContact O-N 3.49Å
182L78.9Confident74.2Confident15 Ų1544.3 Ų44.38%0.07922%0.223CC..Hα-helixtrans-63.7-44.3175.7-175.861.1000111.5K178 R179 C180 S184 L185 M186 I201 L205 L209 M212K178-L182 VanDerWaalsContact O-CB 3.26Å; K178-L182 WeakPolarHBondContact O-CB 3.42Å; K178-L182 PolarHBondContact O-N 2.99Å; R179-L182 CarbonylContact O-C 3.59Å; R179-L182 PolarHBondContact O-N 3.32Å; C180-L182 VanDerWaalsContact C-N 3.35Å; L182-S184 PolarHBondContact O-N 3.35Å; L182-L185 PolarHBondContact O-N 3.1Å; L182-M186 HydrophobicContact CD1-CG 4.16Å; L182-M186 HydrophobicContact CD1-SD 3.92Å; L182-M186 HydrophobicContact CD2-SD 4.34Å; L182-M186 HydrophobicContact CG-CG 4.38Å; L182-M186 HydrophobicContact CG-SD 3.62Å; L182-M186 WeakPolarHBondContact O-CB 2.97Å; L182-M186 WeakPolarHBondContact O-CG 3.46Å; L182-M186 PolarHBondContact O-N 3.46Å; L182-I201 HydrophobicContact CD1-CG2 3.67Å; L182-L205 HydrophobicContact CD2-CD2 3.7Å; L182-L209 HydrophobicContact CD2-CD1 4.39Å; L182-M212 HydrophobicContact CD2-CB 4.2Å; L182-M212 HydrophobicContact CD2-CE 4.04Å; L182-M212 HydrophobicContact CD2-CG 4.25Å; L182-M212 HydrophobicContact CG-CE 4.28Å
183F77.7Confident76.1Confident25 Ų2538.2 Ų38.211%0.1121%0.209CC..Hα-helixtrans-57.2-49.5173-79.6-63.9000112.1R179 C180 L185 M186 R187 M212 L215 L254 H257R179-F183 VanDerWaalsContact C-CD2 3.48Å; R179-F183 HydrophobicContact CB-CD2 4.23Å; R179-F183 HydrophobicContact CB-CE2 3.95Å; R179-F183 WeakPolarHBondContact O-CD2 3.44Å; R179-F183 WeakPolarHBondContact O-CG 3.36Å; R179-F183 PolarHBondContact O-N 3.2Å; C180-F183 PolarHBondContact O-N 3.39Å; F183-L185 VanDerWaalsContact C-N 3.28Å; F183-L185 PolarHBondContact O-N 3.42Å; F183-M186 PolarHBondContact O-N 3.16Å; F183-R187 WeakPolarHBondContact O-CB 3.3Å; F183-R187 PolarHBondContact O-N 3.32Å; F183-M212 HydrophobicContact CD1-CE 3.78Å; F183-M212 HydrophobicContact CD2-CE 4.14Å; F183-M212 HydrophobicContact CE1-CE 3.46Å; F183-M212 VanDerWaalsContact CE1-CE 3.46Å; F183-M212 HydrophobicContact CE1-SD 4.02Å; F183-M212 HydrophobicContact CE2-CE 3.81Å; F183-M212 HydrophobicContact CE2-SD 3.82Å; F183-M212 HydrophobicContact CG-CE 4.09Å; F183-M212 HydrophobicContact CZ-CE 3.42Å; F183-M212 VanDerWaalsContact CZ-CE 3.42Å; F183-M212 HydrophobicContact CZ-SD 3.4Å; F183-M212 WeakPolarHBondContact CZ-SD 3.4Å; F183-L215 HydrophobicContact CE1-CD1 3.4Å; F183-L215 HydrophobicContact CE1-CD2 4.44Å; F183-L215 HydrophobicContact CE1-CG 4.43Å; F183-L215 HydrophobicContact CZ-CD1 3.7Å; F183-L254 HydrophobicContact CE1-CD1 4.41Å; F183-L254 HydrophobicContact CZ-CD1 3.66Å; F183-H257 AromaticContact CD1-CD2 3.83Å; F183-H257 AromaticContact CD1-NE2 3.68Å; F183-H257 AromaticContact CE1-CD2 3.49Å; F183-H257 VanDerWaalsContact CE1-CD2 3.49Å; F183-H257 WeakPolarHBondContact CE1-CD2 3.22Å; F183-H257 AromaticContact CE1-NE2 3.83Å
184S78.1Confident77.9Confident13 Ų1336.8 Ų36.89%0.09119%0.192CC..Hα-helixtrans-63.3-38.9-179.4-58.20000111.2V144 V148 C180 I181 L182 A188V144-S184 VanDerWaalsContact CG1-CB 3.49Å; V148-S184 WeakPolarHBondContact CG2-O 3.26Å; C180-S184 WeakPolarHBondContact O-CB 3.49Å; C180-S184 PolarHBondContact O-N 2.91Å; C180-S184 PolarHBondContact O-OG 2.97Å; I181-S184 PolarHBondContact O-N 2.79Å; L182-S184 PolarHBondContact O-N 3.35Å; S184-A188 VanDerWaalsContact O-CB 3.29Å; S184-A188 WeakPolarHBondContact O-CB 3.44Å; S184-A188 PolarHBondContact O-N 2.69Å
185L85.3Confident79.5Confident11 Ų1131.7 Ų31.76%0.05817%0.172CC..Hα-helixtrans-65.6-47175.4175.761.7000111.6V157 A160 I181 L182 F183 A188 L189 I201V157-L185 HydrophobicContact CB-CD1 4.19Å; V157-L185 HydrophobicContact CG1-CD1 4.03Å; V157-L185 HydrophobicContact CG2-CD1 4Å; A160-L185 HydrophobicContact CB-CB 4.01Å; A160-L185 HydrophobicContact CB-CD1 3.92Å; A160-L185 HydrophobicContact CB-CD2 4.49Å; A160-L185 HydrophobicContact CB-CG 4.36Å; I181-L185 VanDerWaalsContact O-CB 3.23Å; I181-L185 WeakPolarHBondContact O-CB 3.46Å; I181-L185 PolarHBondContact O-N 3.49Å; L182-L185 PolarHBondContact O-N 3.1Å; F183-L185 VanDerWaalsContact C-N 3.28Å; F183-L185 PolarHBondContact O-N 3.42Å; L185-A188 PolarHBondContact O-N 3.44Å; L185-L189 HydrophobicContact CD1-CD1 3.97Å; L185-L189 HydrophobicContact CD1-CG 4.13Å; L185-L189 HydrophobicContact CG-CD1 4Å; L185-L189 WeakPolarHBondContact O-CB 3.23Å; L185-L189 VanDerWaalsContact O-CG 3.31Å; L185-L189 WeakPolarHBondContact O-CG 3.27Å; L185-L189 PolarHBondContact O-N 3.48Å; L185-I201 HydrophobicContact CD2-CD1 3.74Å; L185-I201 HydrophobicContact CG-CD1 4.2Å
186M84.9Confident80.8Confident2 Ų232.2 Ų32.21%0.0118%0.182CC..Hα-helixtrans-65.4-41.4-179.7-68.6165.867.700111.5L182 F183 L189 S190 M212 L215 C216L182-M186 HydrophobicContact CD1-CG 4.16Å; L182-M186 HydrophobicContact CD1-SD 3.92Å; L182-M186 HydrophobicContact CD2-SD 4.34Å; L182-M186 HydrophobicContact CG-CG 4.38Å; L182-M186 HydrophobicContact CG-SD 3.62Å; L182-M186 WeakPolarHBondContact O-CB 2.97Å; L182-M186 WeakPolarHBondContact O-CG 3.46Å; L182-M186 PolarHBondContact O-N 3.46Å; F183-M186 PolarHBondContact O-N 3.16Å; M186-L189 PolarHBondContact O-N 3.28Å; M186-S190 VanDerWaalsContact O-CB 3.27Å; M186-S190 WeakPolarHBondContact O-CB 3.46Å; M186-S190 PolarHBondContact O-N 2.82Å; M186-M212 HydrophobicContact SD-CE 4.2Å; M186-L215 VanDerWaalsContact CE-C 3.42Å; M186-L215 HydrophobicContact CE-CB 4.23Å; M186-L215 VanDerWaalsContact CE-O 3.29Å; M186-L215 WeakPolarHBondContact CE-O 3.33Å; M186-C216 HydrophobicContact CE-CB 3.78Å; M186-C216 VanDerWaalsContact CE-N 3.31Å; M186-C216 WeakPolarHBondContact CE-SG 3.35Å
187R80.9Confident82.1Confident57 Ų5730.7 Ų30.722%0.21518%0.182CC..Hα-helixtrans-61.3-46.1172.8-175.5168.4179.1168.8-1.3111.5D22 V148 F183 L189 S190 E191D22-R187 IonicContact OD1-CZ 2.64Å; D22-R187 IonicContact OD1-NH1 3.99Å; D22-R187 PolarHBondContact OD1-NH1 2.88Å; D22-R187 IonicContact OD1-NH2 2.88Å; D22-R187 IonicContact OD2-CZ 3.09Å; D22-R187 IonicContact OD2-NH1 3.95Å; D22-R187 PolarHBondContact OD2-NH1 2.54Å; D22-R187 IonicContact OD2-NH2 2.71Å; D22-R187 PolarHBondContact OD2-NH2 2.8Å; V148-R187 HydrophobicContact CG1-CG 4.15Å; F183-R187 WeakPolarHBondContact O-CB 3.3Å; F183-R187 PolarHBondContact O-N 3.32Å; R187-L189 PolarHBondContact O-N 3.33Å; R187-S190 PolarHBondContact O-N 2.92Å; R187-E191 WeakPolarHBondContact O-CG 3.19Å; R187-E191 PolarHBondContact O-N 3.11Å
188A84.5Confident83.2Confident0 Ų029.5 Ų29.50%017%0.174CC..Hα-helixtrans-61.9-43.3176.400000112.6V148 Y153 A156 V157 S184 L185 S190 E191 I192V148-A188 HydrophobicContact CG2-CB 4.21Å; Y153-A188 HydrophobicContact CD1-CB 4.12Å; A156-A188 HydrophobicContact CB-CB 3.9Å; V157-A188 HydrophobicContact CG2-CB 3.86Å; S184-A188 VanDerWaalsContact O-CB 3.29Å; S184-A188 WeakPolarHBondContact O-CB 3.44Å; S184-A188 PolarHBondContact O-N 2.69Å; L185-A188 PolarHBondContact O-N 3.44Å; A188-S190 VanDerWaalsContact C-N 3.32Å; A188-E191 PolarHBondContact O-N 3.31Å; A188-I192 WeakPolarHBondContact O-CD1 3.48Å; A188-I192 WeakPolarHBondContact O-CG1 3.38Å; A188-I192 PolarHBondContact O-N 3.48Å
189L89.8Confident84.1Confident10 Ų1032.4 Ų32.45%0.05219%0.19CC..Hα-helixtrans-66.5-35.3177-72.1171.5000112.3V157 L185 M186 R187 I192 G193 A194 I198 I201V157-L189 HydrophobicContact CG1-CD2 4.08Å; V157-L189 HydrophobicContact CG2-CD2 3.72Å; V157-L189 HydrophobicContact CG2-CG 3.97Å; L185-L189 HydrophobicContact CD1-CD1 3.97Å; L185-L189 HydrophobicContact CD1-CG 4.13Å; L185-L189 HydrophobicContact CG-CD1 4Å; L185-L189 WeakPolarHBondContact O-CB 3.23Å; L185-L189 VanDerWaalsContact O-CG 3.31Å; L185-L189 WeakPolarHBondContact O-CG 3.27Å; L185-L189 PolarHBondContact O-N 3.48Å; M186-L189 PolarHBondContact O-N 3.28Å; R187-L189 PolarHBondContact O-N 3.33Å; L189-I192 PolarHBondContact O-N 3.1Å; L189-G193 PolarHBondContact O-N 3.44Å; L189-G193 VanDerWaalsContact O-N 3.13Å; L189-A194 HydrophobicContact CB-CB 4.48Å; L189-A194 HydrophobicContact CD2-CB 3.96Å; L189-A194 PolarHBondContact O-N 2.78Å; L189-I198 HydrophobicContact CB-CD1 3.82Å; L189-I198 HydrophobicContact CB-CG1 3.64Å; L189-I198 HydrophobicContact CD1-CG1 3.92Å; L189-I198 HydrophobicContact CG-CG1 4.43Å; L189-I201 HydrophobicContact CD1-CD1 3.5Å
190S86.5Confident84.8Confident13 Ų1331.9 Ų31.99%0.09120%0.199CC..Hα-helixtrans-63.4-48175.5-175.60000111.5M186 R187 A188 I192 G193 K222M186-S190 VanDerWaalsContact O-CB 3.27Å; M186-S190 WeakPolarHBondContact O-CB 3.46Å; M186-S190 PolarHBondContact O-N 2.82Å; R187-S190 PolarHBondContact O-N 2.92Å; A188-S190 VanDerWaalsContact C-N 3.32Å; S190-I192 VanDerWaalsContact C-N 3.27Å; S190-I192 PolarHBondContact O-N 3.21Å; S190-G193 PolarHBondContact O-N 3.44Å; S190-K222 VanDerWaalsContact OG-CB 3.31Å; S190-K222 WeakPolarHBondContact OG-CB 3.39Å
191E81.8Confident85.4Confident75 Ų7533.8 Ų33.835%0.3521%0.209SC..Hα-helixtrans-69.6-22.3177.9-65.5-64.7156.200113.6Y153 R187 A188 K361Y153-E191 HydrophobicContact CD1-CB 4.06Å; Y153-E191 HydrophobicContact CD1-CG 4.41Å; Y153-E191 HydrophobicContact CD2-CB 3.54Å; Y153-E191 HydrophobicContact CD2-CG 4.46Å; Y153-E191 HydrophobicContact CE1-CB 3.92Å; Y153-E191 HydrophobicContact CE1-CG 3.86Å; Y153-E191 HydrophobicContact CE2-CB 3.38Å; Y153-E191 HydrophobicContact CE2-CG 3.92Å; Y153-E191 HydrophobicContact CG-CB 3.88Å; R187-E191 WeakPolarHBondContact O-CG 3.19Å; R187-E191 PolarHBondContact O-N 3.11Å; A188-E191 PolarHBondContact O-N 3.31Å; E191-K361 IonicContact OE1-NZ 3.69Å
192I86.5Confident85.8Confident86 Ų8634.7 Ų34.744%0.44122%0.215SC..Hα-helixtrans-78.1-21.3170.6-68.7164.8000111.8V157 A188 L189 S190 A194V157-I192 HydrophobicContact CG2-CD1 3.74Å; A188-I192 WeakPolarHBondContact O-CD1 3.48Å; A188-I192 WeakPolarHBondContact O-CG1 3.38Å; A188-I192 PolarHBondContact O-N 3.48Å; L189-I192 PolarHBondContact O-N 3.1Å; S190-I192 VanDerWaalsContact C-N 3.27Å; S190-I192 PolarHBondContact O-N 3.21Å; I192-A194 HydrophobicContact CG2-CB 4.22Å
193G87.4Confident86Confident43 Ų4338.7 Ų38.744%0.44324%0.244SC..THydrogen-bonded Turntrans81.927.9-173.100000114.1L189 S190 S195 A223L189-G193 PolarHBondContact O-N 3.44Å; L189-G193 VanDerWaalsContact O-N 3.13Å; S190-G193 PolarHBondContact O-N 3.44Å; G193-S195 PolarHBondContact O-N 3.39Å; G193-A223 WeakPolarHBondContact CA-O 3.49Å
194A92.3Very high86.1Confident20 Ų2042.7 Ų42.717%0.16527%0.27CS..  trans-98.360.9-174.600000113.3L189 I192 S196 S197 I198L189-A194 HydrophobicContact CB-CB 4.48Å; L189-A194 HydrophobicContact CD2-CB 3.96Å; L189-A194 PolarHBondContact O-N 2.78Å; I192-A194 HydrophobicContact CG2-CB 4.22Å; A194-S196 PolarHBondContact O-N 3.12Å; A194-S197 WeakPolarHBondContact O-CB 3.36Å; A194-S197 PolarHBondContact O-N 3.45Å; A194-S197 VanDerWaalsContact O-N 3.16Å; A194-I198 PolarHBondContact O-N 3.07Å
195S92.4Very high86.1Confident34 Ų3444 Ų4424%0.23828%0.276CS..Hα-helixtrans-55.4-47.8-17757.60000113.6G193 S197 I198 D199G193-S195 PolarHBondContact O-N 3.39Å; S195-S197 PolarHBondContact O-N 3.27Å; S195-S197 VanDerWaalsContact O-N 3.11Å; S195-I198 WeakPolarHBondContact O-CA 3.38Å; S195-I198 WeakPolarHBondContact O-CB 3.01Å; S195-I198 PolarHBondContact O-N 3.08Å; S195-D199 PolarHBondContact O-N 3.32Å
196S92.2Very high85.4Confident88 Ų8846 Ų4662%0.61529%0.289SS*.Hα-helixtrans-58.6-30.3-179.662.40000113.5A194 G200A194-S196 PolarHBondContact O-N 3.12Å; S196-G200 PolarHBondContact O-N 3.48Å
197S91Very high84.7Confident58 Ų5851.5 Ų51.541%0.40632%0.318SS..Hα-helixtrans-71.8-37.3176-61.30000111.5A194 S195 G200 I201A194-S197 WeakPolarHBondContact O-CB 3.36Å; A194-S197 PolarHBondContact O-N 3.45Å; A194-S197 VanDerWaalsContact O-N 3.16Å; S195-S197 PolarHBondContact O-N 3.27Å; S195-S197 VanDerWaalsContact O-N 3.11Å; S197-G200 PolarHBondContact O-N 3.42Å; S197-I201 WeakPolarHBondContact O-CG1 3.29Å; S197-I201 PolarHBondContact O-N 2.87Å
198I89.5Confident84.1Confident0 Ų054.2 Ų54.20%034%0.337CS..Hα-helixtrans-67.9-43.5176.3-59.4173.7000109.8L189 A194 S195 G200 I201 C202 C216 S219 A223L189-I198 HydrophobicContact CB-CD1 3.82Å; L189-I198 HydrophobicContact CB-CG1 3.64Å; L189-I198 HydrophobicContact CD1-CG1 3.92Å; L189-I198 HydrophobicContact CG-CG1 4.43Å; A194-I198 PolarHBondContact O-N 3.07Å; S195-I198 WeakPolarHBondContact O-CA 3.38Å; S195-I198 WeakPolarHBondContact O-CB 3.01Å; S195-I198 PolarHBondContact O-N 3.08Å; I198-G200 VanDerWaalsContact C-N 3.28Å; I198-G200 PolarHBondContact O-N 3.24Å; I198-I201 PolarHBondContact O-N 2.97Å; I198-I201 VanDerWaalsContact O-N 3.14Å; I198-C202 WeakPolarHBondContact O-CB 3.4Å; I198-C202 PolarHBondContact O-N 3.33Å; I198-C216 HydrophobicContact CG2-CB 4.2Å; I198-C216 WeakPolarHBondContact CG2-O 3.48Å; I198-S219 WeakPolarHBondContact CD1-O 3.4Å; I198-A223 HydrophobicContact CD1-CB 3.81Å
199D88.4Confident83.4Confident82 Ų8254.6 Ų54.644%0.43934%0.339SS..Hα-helixtrans-59.7-41.5175.1-63-27.7000111.4S195 C202 S203 S220S195-D199 PolarHBondContact O-N 3.32Å; D199-C202 WeakPolarHBondContact O-CB 3.42Å; D199-C202 PolarHBondContact O-N 3.24Å; D199-S203 PolarHBondContact O-N 3.35Å; D199-S220 VanDerWaalsContact CG-OG 3.28Å; D199-S220 VanDerWaalsContact OD1-CB 3.22Å; D199-S220 WeakPolarHBondContact OD1-CB 3.17Å; D199-S220 PolarHBondContact OD1-OG 2.95Å; D199-S220 PolarHBondContact OD2-OG 3.41Å
200G86.8Confident82.5Confident35 Ų3560.5 Ų60.536%0.36136%0.364SS..Hα-helixtrans-58.5-47.917300000112.4S196 S197 I198 C202 S203 V204S196-G200 PolarHBondContact O-N 3.48Å; S197-G200 PolarHBondContact O-N 3.42Å; I198-G200 VanDerWaalsContact C-N 3.28Å; I198-G200 PolarHBondContact O-N 3.24Å; G200-C202 VanDerWaalsContact C-N 3.34Å; G200-C202 PolarHBondContact O-N 3.07Å; G200-S203 PolarHBondContact O-N 2.93Å; G200-S203 PolarHBondContact O-OG 3.43Å; G200-V204 WeakPolarHBondContact O-CG2 3.37Å; G200-V204 PolarHBondContact O-N 2.75Å
201I83.9Confident81.7Confident43 Ų4362.3 Ų62.322%0.22137%0.373CS..Hα-helixtrans-60.5-45.3175.7-68.6164.3000110.6L182 L185 L189 S197 I198 S203 V204 L205L182-I201 HydrophobicContact CD1-CG2 3.67Å; L185-I201 HydrophobicContact CD2-CD1 3.74Å; L185-I201 HydrophobicContact CG-CD1 4.2Å; L189-I201 HydrophobicContact CD1-CD1 3.5Å; S197-I201 WeakPolarHBondContact O-CG1 3.29Å; S197-I201 PolarHBondContact O-N 2.87Å; I198-I201 PolarHBondContact O-N 2.97Å; I198-I201 VanDerWaalsContact O-N 3.14Å; I201-S203 PolarHBondContact O-N 2.9Å; I201-V204 PolarHBondContact O-N 2.79Å; I201-L205 HydrophobicContact CG2-CD2 4.44Å; I201-L205 PolarHBondContact O-N 3.47Å
202C83.6Confident81.4Confident19 Ų1958.8 Ų58.813%0.12836%0.356CS..Hα-helixtrans-56.5-39.1179.1-169.30000112.1I198 D199 G200 V204 C216I198-C202 WeakPolarHBondContact O-CB 3.4Å; I198-C202 PolarHBondContact O-N 3.33Å; D199-C202 WeakPolarHBondContact O-CB 3.42Å; D199-C202 PolarHBondContact O-N 3.24Å; G200-C202 VanDerWaalsContact C-N 3.34Å; G200-C202 PolarHBondContact O-N 3.07Å; C202-V204 VanDerWaalsContact C-N 3.26Å; C202-V204 PolarHBondContact O-N 2.9Å; C202-C216 HydrophobicContact CB-CB 3.66Å; C202-C216 VanDerWaalsContact SG-CB 3.6Å
203S83.8Confident81.1Confident98 Ų9861.7 Ų61.769%0.68536%0.362SS*.Hα-helixtrans-68.9-21.6178.976.30000114.2D199 G200 I201D199-S203 PolarHBondContact O-N 3.35Å; G200-S203 PolarHBondContact O-N 2.93Å; G200-S203 PolarHBondContact O-OG 3.43Å; I201-S203 PolarHBondContact O-N 2.9Å
204V79.5Confident80.7Confident110 Ų11062 Ų6267%0.66736%0.355SS*.Hα-helixtrans-101.1-6.5-175.6-179.20000112.2G200 I201 C202 T206G200-V204 WeakPolarHBondContact O-CG2 3.37Å; G200-V204 PolarHBondContact O-N 2.75Å; I201-V204 PolarHBondContact O-N 2.79Å; C202-V204 VanDerWaalsContact C-N 3.26Å; C202-V204 PolarHBondContact O-N 2.9Å; V204-T206 PolarHBondContact O-N 3.46Å
205L77.1Confident80.1Confident39 Ų3961 Ų6120%0.20435%0.347CS..  trans-60.7133.8179.1-69.9179.1000111.9L182 I201 L209 M212L182-L205 HydrophobicContact CD2-CD2 3.7Å; I201-L205 HydrophobicContact CG2-CD2 4.44Å; I201-L205 PolarHBondContact O-N 3.47Å; L205-L209 HydrophobicContact CD2-CB 4.34Å; L205-L209 HydrophobicContact CD2-CD1 4.03Å; L205-M212 HydrophobicContact CD1-CB 4.26Å
206T71.6Confident79.8Confident55 Ų5559.4 Ų59.434%0.33734%0.336SS..  trans-76.9163.5176.557.70000111.7V204 D208 L209V204-T206 PolarHBondContact O-N 3.46Å; T206-D208 PolarHBondContact O-N 2.89Å; T206-L209 PolarHBondContact O-N 3.41Å
207D70.3Confident79.7Confident117 Ų11758.8 Ų58.863%0.62632%0.323SS*.G310 helixtrans-54.1-29.6-179.8-77.1-24000113.9L209 K210D207-L209 PolarHBondContact O-N 3.41Å; D207-K210 HydrophobicContact CB-CD 4.49Å; D207-K210 WeakPolarHBondContact O-CD 3.48Å; D207-K210 VanDerWaalsContact O-CG 3.26Å; D207-K210 WeakPolarHBondContact O-CG 3.45Å; D207-K210 PolarHBondContact O-N 2.88Å; D207-K210 WeakPolarHBondContact OD1-CE 3.36Å; D207-K210 IonicContact OD1-NZ 3.37Å; D207-K210 PolarHBondContact OD1-NZ 3.26Å; D207-K210 IonicContact OD2-NZ 3.46Å
208D66.5Low79.5Confident114 Ų11456 Ų5661%0.6130%0.304SS*.G310 helixtrans-70-15.1179.4-58.3-32.4000114.1T206T206-D208 PolarHBondContact O-N 2.89Å
209L71Confident79.4Confident8 Ų856.4 Ų56.44%0.04231%0.306CS..G310 helixtrans-115.521.7179.4-65.6174.4000111.9R179 L182 L205 T206 D207 D211 M212R179-L209 HydrophobicContact CG-CD2 4.02Å; L182-L209 HydrophobicContact CD2-CD1 4.39Å; L205-L209 HydrophobicContact CD2-CB 4.34Å; L205-L209 HydrophobicContact CD2-CD1 4.03Å; T206-L209 PolarHBondContact O-N 3.41Å; D207-L209 PolarHBondContact O-N 3.41Å; L209-D211 PolarHBondContact O-N 2.74Å; L209-D211 VanDerWaalsContact O-N 3.15Å; L209-M212 HydrophobicContact CB-CG 4.42Å; L209-M212 HydrophobicContact CD2-CG 4.29Å; L209-M212 WeakPolarHBondContact O-CB 3.22Å; L209-M212 PolarHBondContact O-N 3.48Å
210K70.4Confident79.6Confident134 Ų13453 Ų5358%0.58329%0.289SS*.G310 helixtrans-54.1-32.7177.9-86.3173.7176159.70113.4D207 M212 R213D207-K210 HydrophobicContact CB-CD 4.49Å; D207-K210 WeakPolarHBondContact O-CD 3.48Å; D207-K210 VanDerWaalsContact O-CG 3.26Å; D207-K210 WeakPolarHBondContact O-CG 3.45Å; D207-K210 PolarHBondContact O-N 2.88Å; D207-K210 WeakPolarHBondContact OD1-CE 3.36Å; D207-K210 IonicContact OD1-NZ 3.37Å; D207-K210 PolarHBondContact OD1-NZ 3.26Å; D207-K210 IonicContact OD2-NZ 3.46Å; K210-M212 PolarHBondContact O-N 3.35Å; K210-R213 VanDerWaalsContact O-CB 3.31Å; K210-R213 WeakPolarHBondContact O-CB 3.31Å; K210-R213 PolarHBondContact O-N 2.94Å
211D70.1Confident79.9Confident51 Ų5152.6 Ų52.627%0.27328%0.281SS..G310 helixtrans-68.3-17.9177.160.7-30.4000113.7R179 L209 L254R179-D211 IonicContact CZ-OD1 2.93Å; R179-D211 IonicContact CZ-OD2 2.73Å; R179-D211 IonicContact NH1-OD2 2.6Å; R179-D211 PolarHBondContact NH1-OD2 3.25Å; R179-D211 VanDerWaalsContact NH2-CG 3.27Å; R179-D211 IonicContact NH2-OD1 3.72Å; R179-D211 PolarHBondContact NH2-OD1 3.43Å; R179-D211 VanDerWaalsContact NH2-OD1 3.16Å; R179-D211 IonicContact NH2-OD2 3.98Å; R179-D211 PolarHBondContact NH2-OD2 3.38Å; L209-D211 PolarHBondContact O-N 2.74Å; L209-D211 VanDerWaalsContact O-N 3.15Å; D211-L254 HydrophobicContact CB-CD2 4.42Å
212M74.9Confident80.1Confident0 Ų050.8 Ų50.80%027%0.271CS..G310 helixtrans-86-9.3174.9-63.4-65.8-58.100113.4R179 L182 F183 M186 L205 L209 K210 L215 C216 L254R179-M212 HydrophobicContact CG-SD 4.34Å; L182-M212 HydrophobicContact CD2-CB 4.2Å; L182-M212 HydrophobicContact CD2-CE 4.04Å; L182-M212 HydrophobicContact CD2-CG 4.25Å; L182-M212 HydrophobicContact CG-CE 4.28Å; F183-M212 HydrophobicContact CD1-CE 3.78Å; F183-M212 HydrophobicContact CD2-CE 4.14Å; F183-M212 HydrophobicContact CE1-CE 3.46Å; F183-M212 VanDerWaalsContact CE1-CE 3.46Å; F183-M212 HydrophobicContact CE1-SD 4.02Å; F183-M212 HydrophobicContact CE2-CE 3.81Å; F183-M212 HydrophobicContact CE2-SD 3.82Å; F183-M212 HydrophobicContact CG-CE 4.09Å; F183-M212 HydrophobicContact CZ-CE 3.42Å; F183-M212 VanDerWaalsContact CZ-CE 3.42Å; F183-M212 HydrophobicContact CZ-SD 3.4Å; F183-M212 WeakPolarHBondContact CZ-SD 3.4Å; M186-M212 HydrophobicContact SD-CE 4.2Å; L205-M212 HydrophobicContact CD1-CB 4.26Å; L209-M212 HydrophobicContact CB-CG 4.42Å; L209-M212 HydrophobicContact CD2-CG 4.29Å; L209-M212 WeakPolarHBondContact O-CB 3.22Å; L209-M212 PolarHBondContact O-N 3.48Å; K210-M212 PolarHBondContact O-N 3.35Å; M212-L215 HydrophobicContact CE-CD1 3.89Å; M212-L215 WeakPolarHBondContact O-CB 3.46Å; M212-L215 PolarHBondContact O-N 2.91Å; M212-L215 HydrophobicContact SD-CD1 3.73Å; M212-C216 PolarHBondContact O-N 2.89Å; M212-C216 PolarHBondContact O-SG 3.48Å; M212-L254 HydrophobicContact SD-CD1 4.1Å
213R80.9Confident80.4Confident148 Ų14850.1 Ų50.156%0.55827%0.267SS*.Hα-helixtrans-64.2-45.9-176.3-170.3178.4-179.6150.73.4112.1K210 L215 C216 E217K210-R213 VanDerWaalsContact O-CB 3.31Å; K210-R213 WeakPolarHBondContact O-CB 3.31Å; K210-R213 PolarHBondContact O-N 2.94Å; R213-L215 VanDerWaalsContact C-N 3.26Å; R213-L215 PolarHBondContact O-N 3.23Å; R213-C216 WeakPolarHBondContact O-CA 3.4Å; R213-C216 WeakPolarHBondContact O-CB 3.3Å; R213-C216 PolarHBondContact O-N 3.38Å; R213-E217 IonicContact NE-OE1 3.84Å; R213-E217 PolarHBondContact O-N 2.89Å
214T79.2Confident80.9Confident48 Ų4847.3 Ų47.329%0.29425%0.25SC..Hα-helixtrans-61.1-37.3177.350.70000111.5C216 E217 I218 F237T214-C216 VanDerWaalsContact C-N 3.32Å; T214-C216 PolarHBondContact O-N 3.39Å; T214-E217 PolarHBondContact O-N 2.74Å; T214-I218 WeakPolarHBondContact O-CD1 3.33Å; T214-I218 VanDerWaalsContact O-CG1 3.25Å; T214-I218 WeakPolarHBondContact O-CG1 3.38Å; T214-I218 PolarHBondContact O-N 3.4Å; T214-F237 HydrophobicContact CG2-CD2 4.06Å; T214-F237 HydrophobicContact CG2-CE2 4.49Å; T214-F237 WeakPolarHBondContact OG1-CD2 3.27Å; T214-F237 WeakPolarHBondContact OG1-CE2 3.34Å
215L79.9Confident81.5Confident1 Ų143.2 Ų43.21%0.00522%0.223CC..Hα-helixtrans-68-30.4173.8-73.8163.4000113.6F183 M186 M212 R213 I218 S219 L254 C258F183-L215 HydrophobicContact CE1-CD1 3.4Å; F183-L215 HydrophobicContact CE1-CD2 4.44Å; F183-L215 HydrophobicContact CE1-CG 4.43Å; F183-L215 HydrophobicContact CZ-CD1 3.7Å; M186-L215 VanDerWaalsContact CE-C 3.42Å; M186-L215 HydrophobicContact CE-CB 4.23Å; M186-L215 VanDerWaalsContact CE-O 3.29Å; M186-L215 WeakPolarHBondContact CE-O 3.33Å; M212-L215 HydrophobicContact CE-CD1 3.89Å; M212-L215 WeakPolarHBondContact O-CB 3.46Å; M212-L215 PolarHBondContact O-N 2.91Å; M212-L215 HydrophobicContact SD-CD1 3.73Å; R213-L215 VanDerWaalsContact C-N 3.26Å; R213-L215 PolarHBondContact O-N 3.23Å; L215-I218 HydrophobicContact CD2-CD1 4.35Å; L215-S219 VanDerWaalsContact O-CB 3.28Å; L215-S219 WeakPolarHBondContact O-CB 3.38Å; L215-S219 PolarHBondContact O-N 3.42Å; L215-S219 PolarHBondContact O-OG 3.41Å; L215-L254 HydrophobicContact CD1-CD1 3.26Å; L215-L254 HydrophobicContact CD1-CG 4.06Å; L215-C258 WeakPolarHBondContact CD2-SG 3.45Å
216C86.1Confident82.2Confident0 Ų042.6 Ų42.60%022%0.222CC..Hα-helixtrans-67.6-43.5173.1-63.60000111.1M186 I198 C202 M212 R213 T214 S219 S220M186-C216 HydrophobicContact CE-CB 3.78Å; M186-C216 VanDerWaalsContact CE-N 3.31Å; M186-C216 WeakPolarHBondContact CE-SG 3.35Å; I198-C216 HydrophobicContact CG2-CB 4.2Å; I198-C216 WeakPolarHBondContact CG2-O 3.48Å; C202-C216 HydrophobicContact CB-CB 3.66Å; C202-C216 VanDerWaalsContact SG-CB 3.6Å; M212-C216 PolarHBondContact O-N 2.89Å; M212-C216 PolarHBondContact O-SG 3.48Å; R213-C216 WeakPolarHBondContact O-CA 3.4Å; R213-C216 WeakPolarHBondContact O-CB 3.3Å; R213-C216 PolarHBondContact O-N 3.38Å; T214-C216 VanDerWaalsContact C-N 3.32Å; T214-C216 PolarHBondContact O-N 3.39Å; C216-S219 PolarHBondContact O-N 3.28Å; C216-S220 WeakPolarHBondContact O-CB 3.37Å; C216-S220 PolarHBondContact O-N 3.06Å
217E88.3Confident83.1Confident74 Ų7440.5 Ų40.535%0.34621%0.208SC..Hα-helixtrans-62.6-44.4175.9-66.9166.3-173.600110.7R213 T214 S220 C221 L233R213-E217 IonicContact NE-OE1 3.84Å; R213-E217 PolarHBondContact O-N 2.89Å; T214-E217 PolarHBondContact O-N 2.74Å; E217-S220 PolarHBondContact O-N 3.2Å; E217-C221 PolarHBondContact O-N 3.43Å; E217-C221 PolarHBondContact O-SG 3.22Å; E217-L233 HydrophobicContact CB-CD1 4.15Å
218I87.8Confident84.1Confident1 Ų136.8 Ų36.81%0.00519%0.186CC..Hα-helixtrans-59-51.4173.8-67.5158.7000111T214 L215 S220 C221 K222 A230 L233 C234T214-I218 WeakPolarHBondContact O-CD1 3.33Å; T214-I218 VanDerWaalsContact O-CG1 3.25Å; T214-I218 WeakPolarHBondContact O-CG1 3.38Å; T214-I218 PolarHBondContact O-N 3.4Å; L215-I218 HydrophobicContact CD2-CD1 4.35Å; I218-S220 VanDerWaalsContact C-N 3.3Å; I218-S220 PolarHBondContact O-N 3.33Å; I218-C221 PolarHBondContact O-N 3.28Å; I218-K222 HydrophobicContact CG2-CD 4.4Å; I218-K222 WeakPolarHBondContact O-CG 3.48Å; I218-K222 PolarHBondContact O-N 3.45Å; I218-A230 HydrophobicContact CG2-CB 4.47Å; I218-L233 HydrophobicContact CG1-CB 3.73Å; I218-L233 HydrophobicContact CG1-CD1 4.48Å; I218-C234 VanDerWaalsContact CD1-SG 3.55Å
219S87.8Confident85.3Confident7 Ų735 Ų355%0.04918%0.177CC..Hα-helixtrans-65.7-34.1-178-59.20000112.2I198 L215 C216 K222 A223I198-S219 WeakPolarHBondContact CD1-O 3.4Å; L215-S219 VanDerWaalsContact O-CB 3.28Å; L215-S219 WeakPolarHBondContact O-CB 3.38Å; L215-S219 PolarHBondContact O-N 3.42Å; L215-S219 PolarHBondContact O-OG 3.41Å; C216-S219 PolarHBondContact O-N 3.28Å; S219-K222 PolarHBondContact O-N 3.26Å; S219-A223 WeakPolarHBondContact O-CB 3.46Å; S219-A223 PolarHBondContact O-N 2.91Å
220S92.7Very high86.2Confident10 Ų1034.6 Ų34.67%0.0718%0.175CC..Hα-helixtrans-67.3-44.5175.6-174.40000111.4D199 C216 E217 I218 K222 A223 A224D199-S220 VanDerWaalsContact CG-OG 3.28Å; D199-S220 VanDerWaalsContact OD1-CB 3.22Å; D199-S220 WeakPolarHBondContact OD1-CB 3.17Å; D199-S220 PolarHBondContact OD1-OG 2.95Å; D199-S220 PolarHBondContact OD2-OG 3.41Å; C216-S220 WeakPolarHBondContact O-CB 3.37Å; C216-S220 PolarHBondContact O-N 3.06Å; E217-S220 PolarHBondContact O-N 3.2Å; I218-S220 VanDerWaalsContact C-N 3.3Å; I218-S220 PolarHBondContact O-N 3.33Å; S220-K222 VanDerWaalsContact C-N 3.34Å; S220-K222 PolarHBondContact O-N 3.45Å; S220-A223 WeakPolarHBondContact O-CB 3.46Å; S220-A223 PolarHBondContact O-N 3.28Å; S220-A224 PolarHBondContact O-N 3.33Å
221C92.2Very high87Confident28 Ų2828.3 Ų28.319%0.18915%0.148CC..Hα-helixtrans-59.6-44.7173.7-67.50000111.1E217 I218 A223 A224 E225 C226 A230E217-C221 PolarHBondContact O-N 3.43Å; E217-C221 PolarHBondContact O-SG 3.22Å; I218-C221 PolarHBondContact O-N 3.28Å; C221-A223 PolarHBondContact O-N 3.08Å; C221-A224 CarbonylContact O-C 3.59Å; C221-A224 PolarHBondContact O-N 2.87Å; C221-E225 PolarHBondContact O-N 3.41Å; C221-E225 VanDerWaalsContact O-N 3.16Å; C221-C226 HydrophobicContact CB-CB 4.26Å; C221-C226 PolarHBondContact O-N 3.04Å; C221-A230 HydrophobicContact CB-CB 3.77Å
222K89.2Confident87.8Confident5 Ų528.3 Ų28.32%0.02215%0.152CC..Hα-helixtrans-61.7-41175-70.6-17668.61680112.8S190 I218 S219 S220 A224 E225 Y227 A230 E261 D264S190-K222 VanDerWaalsContact OG-CB 3.31Å; S190-K222 WeakPolarHBondContact OG-CB 3.39Å; I218-K222 HydrophobicContact CG2-CD 4.4Å; I218-K222 WeakPolarHBondContact O-CG 3.48Å; I218-K222 PolarHBondContact O-N 3.45Å; S219-K222 PolarHBondContact O-N 3.26Å; S220-K222 VanDerWaalsContact C-N 3.34Å; S220-K222 PolarHBondContact O-N 3.45Å; K222-A224 VanDerWaalsContact C-N 3.27Å; K222-A224 PolarHBondContact O-N 3.25Å; K222-E225 WeakPolarHBondContact O-CA 3.45Å; K222-E225 PolarHBondContact O-N 3.17Å; K222-Y227 HydrophobicContact CB-CE1 4.32Å; K222-Y227 HydrophobicContact CG-CD1 4.26Å; K222-Y227 HydrophobicContact CG-CE1 4.33Å; K222-A230 HydrophobicContact CG-CB 3.79Å; K222-E261 VanDerWaalsContact CD-OE2 3.32Å; K222-E261 WeakPolarHBondContact CD-OE2 3.48Å; K222-E261 WeakPolarHBondContact CE-OE2 3.47Å; K222-E261 IonicContact NZ-OE2 3.8Å; K222-E261 PolarHBondContact NZ-OE2 3.09Å; K222-D264 WeakPolarHBondContact CE-OD2 3.29Å; K222-D264 IonicContact NZ-OD2 2.87Å; K222-D264 PolarHBondContact NZ-OD2 3.14Å
223A90.2Very high88.5Confident5 Ų530.9 Ų30.94%0.04117%0.165CC..Hα-helixtrans-64.6-31.9176.200000112.5G193 I198 S219 S220 C221 E225G193-A223 WeakPolarHBondContact CA-O 3.49Å; I198-A223 HydrophobicContact CD1-CB 3.81Å; S219-A223 WeakPolarHBondContact O-CB 3.46Å; S219-A223 PolarHBondContact O-N 2.91Å; S220-A223 WeakPolarHBondContact O-CB 3.46Å; S220-A223 PolarHBondContact O-N 3.28Å; C221-A223 PolarHBondContact O-N 3.08Å; A223-E225 PolarHBondContact O-N 3.04Å
224A93Very high88.6Confident39 Ų3923.8 Ų23.832%0.32214%0.139SC..THydrogen-bonded Turntrans-81.20.7172.600000113.3S220 C221 K222 C226S220-A224 PolarHBondContact O-N 3.33Å; C221-A224 CarbonylContact O-C 3.59Å; C221-A224 PolarHBondContact O-N 2.87Å; K222-A224 VanDerWaalsContact C-N 3.27Å; K222-A224 PolarHBondContact O-N 3.25Å; A224-C226 PolarHBondContact O-N 3.23Å
225E91.6Very high88.8Confident24 Ų2423.1 Ų23.111%0.11214%0.138CC..THydrogen-bonded Turntrans63.420.4-173.7-52.2-177.5169.300114.3C221 K222 A223 Y227 T359 I360 R394 T398 N400C221-E225 PolarHBondContact O-N 3.41Å; C221-E225 VanDerWaalsContact O-N 3.16Å; K222-E225 WeakPolarHBondContact O-CA 3.45Å; K222-E225 PolarHBondContact O-N 3.17Å; A223-E225 PolarHBondContact O-N 3.04Å; E225-Y227 HydrophobicContact CB-CE2 4.27Å; E225-Y227 PolarHBondContact O-N 3.07Å; E225-T359 VanDerWaalsContact OE1-CA 3.3Å; E225-T359 WeakPolarHBondContact OE1-CA 3.43Å; E225-T359 WeakPolarHBondContact OE1-CB 3.28Å; E225-T359 WeakPolarHBondContact OE1-CG2 3.43Å; E225-I360 HydrophobicContact CB-CB 4.36Å; E225-I360 HydrophobicContact CB-CG1 4.06Å; E225-I360 WeakPolarHBondContact OE2-CG1 3.46Å; E225-I360 PolarHBondContact OE2-N 3.44Å; E225-R394 IonicContact OE1-NH2 2.64Å; E225-R394 IonicContact OE2-CZ 2.86Å; E225-R394 IonicContact OE2-NE 3.8Å; E225-R394 IonicContact OE2-NH2 2.68Å; E225-R394 PolarHBondContact OE2-NH2 3.32Å; E225-T398 HydrophobicContact CB-CG2 4.19Å; E225-N400 PolarHBondContact O-ND2 3.34Å
226C93.1Very high89Confident25 Ų2527.7 Ų27.717%0.16916%0.162CC..  trans-86.171174-53.60000110.5C221 A224 D229 A230 T398C221-C226 HydrophobicContact CB-CB 4.26Å; C221-C226 PolarHBondContact O-N 3.04Å; A224-C226 PolarHBondContact O-N 3.23Å; C226-D229 HydrophobicContact CB-CB 4.16Å; C226-A230 WeakPolarHBondContact O-CB 3.29Å; C226-A230 PolarHBondContact O-N 3.07Å; C226-T398 WeakPolarHBondContact CA-O 3.4Å; C226-T398 PolarHBondContact SG-O 3.38Å
227Y90.5Very high88.8Confident12 Ų1228.6 Ų28.65%0.04717%0.166CC..Hα-helixtrans-71-33.9-174.6-64.1-60.6000113.4K222 E225 A230 A231 C265 V269 I360 K361 N400K222-Y227 HydrophobicContact CB-CE1 4.32Å; K222-Y227 HydrophobicContact CG-CD1 4.26Å; K222-Y227 HydrophobicContact CG-CE1 4.33Å; E225-Y227 HydrophobicContact CB-CE2 4.27Å; E225-Y227 PolarHBondContact O-N 3.07Å; Y227-A230 PolarHBondContact O-N 3.23Å; Y227-A231 WeakPolarHBondContact O-CB 3.45Å; Y227-A231 PolarHBondContact O-N 2.64Å; Y227-C265 HydrophobicContact CD1-CB 4.44Å; Y227-V269 HydrophobicContact CD2-CG1 3.92Å; Y227-V269 HydrophobicContact CG-CG1 4.15Å; Y227-I360 HydrophobicContact CD2-CB 4.39Å; Y227-I360 HydrophobicContact CD2-CG2 3.84Å; Y227-I360 HydrophobicContact CE2-CB 3.88Å; Y227-I360 HydrophobicContact CE2-CG2 3.77Å; Y227-K361 HydrophobicContact CE2-CG 3.94Å; Y227-K361 VanDerWaalsContact OH-CE 3.27Å; Y227-K361 WeakPolarHBondContact OH-CE 3.45Å; Y227-K361 WeakPolarHBondContact OH-CG 3.27Å; Y227-N400 PolarHBondContact N-OD1 2.73Å
228E90.6Very high88.2Confident38 Ų3825.7 Ų25.718%0.17815%0.153CC..Hα-helixtrans-64.6-45.6176.6-71.5175.8-164.100111.2A231 S232 N400 T401 N402 L403E228-A231 PolarHBondContact O-N 3.33Å; E228-S232 PolarHBondContact O-N 3.44Å; E228-N400 VanDerWaalsContact CD-CA 3.4Å; E228-N400 HydrophobicContact CG-CB 4.33Å; E228-N400 PolarHBondContact N-OD1 3.5Å; E228-N400 VanDerWaalsContact N-OD1 3.16Å; E228-N400 VanDerWaalsContact OE1-C 3.3Å; E228-N400 WeakPolarHBondContact OE1-CA 3.47Å; E228-N400 WeakPolarHBondContact OE2-CA 3.43Å; E228-T401 PolarHBondContact OE2-N 3.02Å; E228-N402 WeakPolarHBondContact OE1-CA 3.25Å; E228-N402 VanDerWaalsContact OE1-CB 3.3Å; E228-N402 WeakPolarHBondContact OE1-CB 3.45Å; E228-N402 PolarHBondContact OE1-N 3.46Å; E228-N402 VanDerWaalsContact OE1-N 3.08Å; E228-N402 PolarHBondContact OE2-N 2.9Å; E228-L403 PolarHBondContact OE1-N 2.85Å
229D91.2Very high87.8Confident77 Ų7729 Ų2941%0.41218%0.176SC..Hα-helixtrans-63.3-45.2175-66.8-29.3000111C226 A231 S232 L233C226-D229 HydrophobicContact CB-CB 4.16Å; D229-A231 VanDerWaalsContact C-N 3.35Å; D229-A231 PolarHBondContact O-N 3.5Å; D229-S232 PolarHBondContact O-N 3.14Å; D229-S232 VanDerWaalsContact O-N 3.16Å; D229-S232 PolarHBondContact O-OG 2.87Å; D229-L233 WeakPolarHBondContact O-CG 3.43Å; D229-L233 PolarHBondContact O-N 3.09Å
230A90.2Very high87.3Confident0 Ų033.6 Ų33.60%020%0.2CC..Hα-helixtrans-59.1-43.8176.800000112.3I218 C221 K222 C226 Y227 S232 L233 C234I218-A230 HydrophobicContact CG2-CB 4.47Å; C221-A230 HydrophobicContact CB-CB 3.77Å; K222-A230 HydrophobicContact CG-CB 3.79Å; C226-A230 WeakPolarHBondContact O-CB 3.29Å; C226-A230 PolarHBondContact O-N 3.07Å; Y227-A230 PolarHBondContact O-N 3.23Å; A230-S232 VanDerWaalsContact C-N 3.33Å; A230-S232 PolarHBondContact O-N 3.4Å; A230-L233 PolarHBondContact O-N 3.11Å; A230-C234 PolarHBondContact O-N 3.44Å; A230-C234 PolarHBondContact O-SG 3.08Å
231A87.3Confident86.4Confident2 Ų235 Ų352%0.01721%0.206CC..Hα-helixtrans-63.1-39.6176.300000111.7Y227 E228 D229 C234 A235 C265 Y266Y227-A231 WeakPolarHBondContact O-CB 3.45Å; Y227-A231 PolarHBondContact O-N 2.64Å; E228-A231 PolarHBondContact O-N 3.33Å; D229-A231 VanDerWaalsContact C-N 3.35Å; D229-A231 PolarHBondContact O-N 3.5Å; A231-C234 PolarHBondContact O-N 3.31Å; A231-A235 WeakPolarHBondContact O-CB 3.17Å; A231-A235 PolarHBondContact O-N 3.36Å; A231-C265 HydrophobicContact CB-CB 3.95Å; A231-Y266 HydrophobicContact CB-CD1 4.32Å; A231-Y266 HydrophobicContact CB-CE1 3.83Å; A231-Y266 HydrophobicContact CB-CE2 4.25Å
232S88Confident85.3Confident51 Ų5136.2 Ų36.236%0.35721%0.21SC..Hα-helixtrans-63.8-40.8175.981.90000112.3E228 D229 A230 A235 N236E228-S232 PolarHBondContact O-N 3.44Å; D229-S232 PolarHBondContact O-N 3.14Å; D229-S232 VanDerWaalsContact O-N 3.16Å; D229-S232 PolarHBondContact O-OG 2.87Å; A230-S232 VanDerWaalsContact C-N 3.33Å; A230-S232 PolarHBondContact O-N 3.4Å; S232-A235 WeakPolarHBondContact O-CB 3.18Å; S232-A235 PolarHBondContact O-N 2.94Å; S232-N236 VanDerWaalsContact O-CG 3.23Å; S232-N236 PolarHBondContact O-N 3.32Å; S232-N236 PolarHBondContact O-ND2 2.89Å
233L88.9Confident84.4Confident53 Ų5340.5 Ų40.528%0.27724%0.24SC..Hα-helixtrans-64.7-42.3175.8-70.6174.7000111.3E217 I218 D229 A230 N236 F237E217-L233 HydrophobicContact CB-CD1 4.15Å; I218-L233 HydrophobicContact CG1-CB 3.73Å; I218-L233 HydrophobicContact CG1-CD1 4.48Å; D229-L233 WeakPolarHBondContact O-CG 3.43Å; D229-L233 PolarHBondContact O-N 3.09Å; A230-L233 PolarHBondContact O-N 3.11Å; L233-N236 PolarHBondContact O-N 3.27Å; L233-F237 WeakPolarHBondContact O-CB 3.4Å; L233-F237 PolarHBondContact O-N 2.97Å
234C83.7Confident83.2Confident0 Ų043.4 Ų43.40%026%0.261CS..Hα-helixtrans-60.2-45.5172.8-71.30000111.8I218 A230 A231 N236 F237 I238 M262I218-C234 VanDerWaalsContact CD1-SG 3.55Å; A230-C234 PolarHBondContact O-N 3.44Å; A230-C234 PolarHBondContact O-SG 3.08Å; A231-C234 PolarHBondContact O-N 3.31Å; C234-N236 PolarHBondContact O-N 3.47Å; C234-F237 PolarHBondContact O-N 3.43Å; C234-I238 VanDerWaalsContact O-CG1 3.26Å; C234-I238 WeakPolarHBondContact O-CG1 3.5Å; C234-I238 PolarHBondContact O-N 2.76Å; C234-M262 HydrophobicContact CB-CB 3.63Å; C234-M262 HydrophobicContact CB-CG 3.93Å; C234-M262 HydrophobicContact CB-SD 4.06Å
235A82.6Confident81.4Confident34 Ų3444.5 Ų44.528%0.28128%0.276SS..Hα-helixtrans-60-46.5179.600000111.8A231 S232 I238 S239 M262A231-A235 WeakPolarHBondContact O-CB 3.17Å; A231-A235 PolarHBondContact O-N 3.36Å; S232-A235 WeakPolarHBondContact O-CB 3.18Å; S232-A235 PolarHBondContact O-N 2.94Å; A235-I238 PolarHBondContact O-N 2.71Å; A235-S239 WeakPolarHBondContact O-CB 3.46Å; A235-S239 PolarHBondContact O-N 2.87Å; A235-M262 HydrophobicContact CB-CE 3.57Å; A235-M262 HydrophobicContact CB-SD 4.22Å
236N84.3Confident79.5Confident96 Ų9651 Ų5151%0.51330%0.299SS..Hα-helixtrans-60.5-46.4176.4-69.1-21.7000110.9S232 L233 C234 I238 S239 D240S232-N236 VanDerWaalsContact O-CG 3.23Å; S232-N236 PolarHBondContact O-N 3.32Å; S232-N236 PolarHBondContact O-ND2 2.89Å; L233-N236 PolarHBondContact O-N 3.27Å; C234-N236 PolarHBondContact O-N 3.47Å; N236-I238 PolarHBondContact O-N 2.85Å; N236-S239 PolarHBondContact O-N 3.33Å; N236-D240 PolarHBondContact O-N 3.08Å
237F81.7Confident77.4Confident20 Ų2057.5 Ų57.59%0.08833%0.327CS..Hα-helixtrans-60.4-44.1177.8-177.6-95.5000112.6T214 L233 C234 D240 Q241 L254 C258T214-F237 HydrophobicContact CG2-CD2 4.06Å; T214-F237 HydrophobicContact CG2-CE2 4.49Å; T214-F237 WeakPolarHBondContact OG1-CD2 3.27Å; T214-F237 WeakPolarHBondContact OG1-CE2 3.34Å; L233-F237 WeakPolarHBondContact O-CB 3.4Å; L233-F237 PolarHBondContact O-N 2.97Å; C234-F237 PolarHBondContact O-N 3.43Å; F237-D240 PolarHBondContact O-N 3.41Å; F237-Q241 HydrophobicContact CD1-CG 4.27Å; F237-Q241 HydrophobicContact CE1-CG 3.79Å; F237-Q241 HydrophobicContact CE2-CG 4.44Å; F237-Q241 HydrophobicContact CZ-CG 3.88Å; F237-Q241 WeakPolarHBondContact O-CG 3.39Å; F237-Q241 PolarHBondContact O-N 3.28Å; F237-L254 HydrophobicContact CE1-CD2 4.28Å; F237-L254 HydrophobicContact CZ-CD2 3.61Å; F237-L254 HydrophobicContact CZ-CG 4.28Å; F237-C258 HydrophobicContact CD1-CB 4.01Å; F237-C258 WeakPolarHBondContact CD1-SG 3.38Å; F237-C258 HydrophobicContact CE1-CB 4.39Å; F237-C258 VanDerWaalsContact CE1-SG 3.59Å
238I76.7Confident75.4Confident13 Ų1359.2 Ų59.27%0.06734%0.338CS..Hα-helixtrans-63.3-45.1177.6-68.2163.1000110.2C234 A235 N236 D240 Q241 L242 L255 M259 M262C234-I238 VanDerWaalsContact O-CG1 3.26Å; C234-I238 WeakPolarHBondContact O-CG1 3.5Å; C234-I238 PolarHBondContact O-N 2.76Å; A235-I238 PolarHBondContact O-N 2.71Å; N236-I238 PolarHBondContact O-N 2.85Å; I238-D240 PolarHBondContact O-N 3.01Å; I238-Q241 PolarHBondContact O-N 2.98Å; I238-L242 HydrophobicContact CG2-CD1 3.79Å; I238-L242 HydrophobicContact CG2-CG 4.33Å; I238-L242 WeakPolarHBondContact O-CB 3.44Å; I238-L242 VanDerWaalsContact O-CG 3.26Å; I238-L242 WeakPolarHBondContact O-CG 3.25Å; I238-L242 PolarHBondContact O-N 3.35Å; I238-L255 HydrophobicContact CB-CD1 4.48Å; I238-L255 HydrophobicContact CG1-CD1 4.05Å; I238-L255 HydrophobicContact CG2-CD1 4.45Å; I238-M259 HydrophobicContact CD1-CG 3.79Å; I238-M259 HydrophobicContact CG1-CG 4.34Å; I238-M259 HydrophobicContact CG2-CE 4.2Å; I238-M262 HydrophobicContact CD1-SD 3.77Å
239S78.6Confident73.2Confident70 Ų7062.7 Ų62.749%0.4936%0.358SS..Hα-helixtrans-60.4-42.3177.2-176.80000112.4A235 N236 L242 S243A235-S239 WeakPolarHBondContact O-CB 3.46Å; A235-S239 PolarHBondContact O-N 2.87Å; N236-S239 PolarHBondContact O-N 3.33Å; S239-L242 PolarHBondContact O-N 2.91Å; S239-S243 WeakPolarHBondContact O-CB 3.3Å; S239-S243 PolarHBondContact O-N 3.13Å; S239-S243 PolarHBondContact O-OG 3.32Å; S239-S243 VanDerWaalsContact O-OG 3.1Å
240D78.1Confident70.9Confident103 Ų10364 Ų6455%0.55137%0.373SS*.Hα-helixtrans-64.9-40.9176.9-76.5-9.4000112N236 F237 I238 S243 S244N236-D240 PolarHBondContact O-N 3.08Å; F237-D240 PolarHBondContact O-N 3.41Å; I238-D240 PolarHBondContact O-N 3.01Å; D240-S243 PolarHBondContact O-OG 3.38Å; D240-S244 PolarHBondContact O-N 3.09Å
241Q71.9Confident68.7Low41 Ų4172.1 Ų72.119%0.19241%0.411CS..Hα-helixtrans-66.7-40.3175.6-67.6-54.9-55.900111.8F237 I238 S244 L255F237-Q241 HydrophobicContact CD1-CG 4.27Å; F237-Q241 HydrophobicContact CE1-CG 3.79Å; F237-Q241 HydrophobicContact CE2-CG 4.44Å; F237-Q241 HydrophobicContact CZ-CG 3.88Å; F237-Q241 WeakPolarHBondContact O-CG 3.39Å; F237-Q241 PolarHBondContact O-N 3.28Å; I238-Q241 PolarHBondContact O-N 2.98Å; Q241-S244 PolarHBondContact O-N 2.91Å; Q241-S244 PolarHBondContact O-OG 3.07Å; Q241-L255 HydrophobicContact CB-CD1 4.17Å; Q241-L255 HydrophobicContact CG-CD1 4.38Å
242L69.1Low67.2Low53 Ų5374.6 Ų74.628%0.27742%0.424SS..Hα-helixtrans-67.1-41.6178.7-70.9170.9000112.3I238 S239 S244 G245 F285I238-L242 HydrophobicContact CG2-CD1 3.79Å; I238-L242 HydrophobicContact CG2-CG 4.33Å; I238-L242 WeakPolarHBondContact O-CB 3.44Å; I238-L242 VanDerWaalsContact O-CG 3.26Å; I238-L242 WeakPolarHBondContact O-CG 3.25Å; I238-L242 PolarHBondContact O-N 3.35Å; S239-L242 PolarHBondContact O-N 2.91Å; L242-S244 VanDerWaalsContact C-N 3.26Å; L242-S244 PolarHBondContact O-N 3.47Å; L242-G245 PolarHBondContact O-N 3.29Å; L242-F285 HydrophobicContact CD1-CD2 3.96Å; L242-F285 HydrophobicContact CD1-CE2 3.99Å; L242-F285 HydrophobicContact CD1-CG 4.32Å; L242-F285 HydrophobicContact CD1-CZ 4.34Å; L242-F285 HydrophobicContact CD2-CB 4Å; L242-F285 HydrophobicContact CD2-CD1 3.98Å; L242-F285 HydrophobicContact CD2-CD2 4.29Å; L242-F285 HydrophobicContact CD2-CG 3.83Å
243S71.4Confident65.8Low94 Ų9473.5 Ų73.566%0.65742%0.416SS*.Hα-helixtrans-67.7-25.2178.461.40000113.2S239 D240 G245S239-S243 WeakPolarHBondContact O-CB 3.3Å; S239-S243 PolarHBondContact O-N 3.13Å; S239-S243 PolarHBondContact O-OG 3.32Å; S239-S243 VanDerWaalsContact O-OG 3.1Å; D240-S243 PolarHBondContact O-OG 3.38Å; S243-G245 PolarHBondContact O-N 2.86Å
244S65.3Low64.8Low67 Ų6772 Ų7247%0.46941%0.408SS..THydrogen-bonded Turntrans-73.9-1.4177.277.20000115.2D240 Q241 L242 R246D240-S244 PolarHBondContact O-N 3.09Å; Q241-S244 PolarHBondContact O-N 2.91Å; Q241-S244 PolarHBondContact O-OG 3.07Å; L242-S244 VanDerWaalsContact C-N 3.26Å; L242-S244 PolarHBondContact O-N 3.47Å; S244-R246 VanDerWaalsContact C-N 3.25Å; S244-R246 PolarHBondContact O-N 3.32Å
245G54.8Low64.1Low62 Ų6272.3 Ų72.364%0.63941%0.41SS*.THydrogen-bonded Turntrans71.112.7175.700000115.1L242 S243 H247L242-G245 PolarHBondContact O-N 3.29Å; S243-G245 PolarHBondContact O-N 2.86Å; G245-H247 PolarHBondContact O-N 3.33Å
246R51.2Low63.3Low159 Ų15974.3 Ų74.360%0.641%0.413SS*.  trans-71.9109.2172.1-71.5179.9178.4-177.3-2.1108.9S244 V248S244-R246 VanDerWaalsContact C-N 3.25Å; S244-R246 PolarHBondContact O-N 3.32Å; R246-V248 PolarHBondContact O-N 3.07Å
247H49.3Very low62.5Low162 Ų16271.8 Ų71.875%0.7540%0.398SS*.  trans-52.6134.5168-86.1-79.8000109.7G245 N249G245-H247 PolarHBondContact O-N 3.33Å; H247-N249 PolarHBondContact O-N 3.01Å
248V49.5Very low62.1Low48 Ų4870.9 Ų70.929%0.29139%0.394SS..  trans-67.469.2173.8-173.20000108.6R246 L255R246-V248 PolarHBondContact O-N 3.07Å; V248-L255 HydrophobicContact CG1-CD2 4.23Å; V248-L255 HydrophobicContact CG2-CD2 3.99Å
249N43.4Very low61.8Low111 Ų11171.8 Ų71.859%0.59440%0.398SS*.  trans-72.2143.5168.1-70.4-9.2000107.4H247 E251 N252H247-N249 PolarHBondContact O-N 3.01Å; N249-E251 PolarHBondContact O-N 3.04Å; N249-N252 PolarHBondContact O-N 3.2Å; N249-N252 VanDerWaalsContact O-N 3.15Å
250S43.7Very low61.4Low104 Ų10470.5 Ų70.573%0.72739%0.386SS*.THydrogen-bonded Turntrans-51.6-8.8-175.450.60000116.2
251E43.1Very low61.2Low171 Ų17166.5 Ų66.580%0.79936%0.364SS*.THydrogen-bonded Turntrans-89.4-10.1-178.8-64.7-172.8162.200114.9N249 S253N249-E251 PolarHBondContact O-N 3.04Å; E251-S253 PolarHBondContact O-N 3.44Å
252N55.4Low61.5Low55 Ų5565 Ų6529%0.29436%0.357SS..  trans-80.467177.8-106.9-3000111.6N249 L254 L255 K256N249-N252 PolarHBondContact O-N 3.2Å; N249-N252 VanDerWaalsContact O-N 3.15Å; N252-L254 PolarHBondContact O-N 3.19Å; N252-L254 VanDerWaalsContact O-N 3.1Å; N252-L255 HydrophobicContact CB-CB 4.26Å; N252-L255 PolarHBondContact O-N 3.31Å; N252-K256 PolarHBondContact O-N 3.23Å
253S59.9Low61.6Low27 Ų2763 Ų6319%0.18935%0.346CS..Hα-helixtrans-50-32.3174.451.70000113E251 H257E251-S253 PolarHBondContact O-N 3.44Å; S253-H257 WeakPolarHBondContact O-CB 3.46Å; S253-H257 PolarHBondContact O-N 3.16Å
254L66.6Low61.6Low21 Ų2159.6 Ų59.611%0.1132%0.321CS..Hα-helixtrans-61.9-46176.7-157.177.4000113.5F183 D211 M212 L215 F237 N252 H257 C258F183-L254 HydrophobicContact CE1-CD1 4.41Å; F183-L254 HydrophobicContact CZ-CD1 3.66Å; D211-L254 HydrophobicContact CB-CD2 4.42Å; M212-L254 HydrophobicContact SD-CD1 4.1Å; L215-L254 HydrophobicContact CD1-CD1 3.26Å; L215-L254 HydrophobicContact CD1-CG 4.06Å; F237-L254 HydrophobicContact CE1-CD2 4.28Å; F237-L254 HydrophobicContact CZ-CD2 3.61Å; F237-L254 HydrophobicContact CZ-CG 4.28Å; N252-L254 PolarHBondContact O-N 3.19Å; N252-L254 VanDerWaalsContact O-N 3.1Å; L254-H257 PolarHBondContact O-N 3.12Å; L254-C258 PolarHBondContact O-N 3.46Å; L254-C258 PolarHBondContact O-SG 3.46Å; L254-C258 VanDerWaalsContact O-SG 3.41Å
255L68.6Low62.4Low8 Ų856.4 Ų56.44%0.04230%0.298CS..Hα-helixtrans-69.7-43.3-176.9-176.668.4000110.4I238 Q241 V248 N252 H257 C258 M259I238-L255 HydrophobicContact CB-CD1 4.48Å; I238-L255 HydrophobicContact CG1-CD1 4.05Å; I238-L255 HydrophobicContact CG2-CD1 4.45Å; Q241-L255 HydrophobicContact CB-CD1 4.17Å; Q241-L255 HydrophobicContact CG-CD1 4.38Å; V248-L255 HydrophobicContact CG1-CD2 4.23Å; V248-L255 HydrophobicContact CG2-CD2 3.99Å; N252-L255 HydrophobicContact CB-CB 4.26Å; N252-L255 PolarHBondContact O-N 3.31Å; L255-H257 VanDerWaalsContact C-N 3.3Å; L255-H257 PolarHBondContact O-N 3.49Å; L255-C258 PolarHBondContact O-N 3.34Å; L255-M259 HydrophobicContact CD1-CE 4.02Å; L255-M259 HydrophobicContact CD2-CE 3.92Å; L255-M259 HydrophobicContact CG-CE 3.72Å; L255-M259 HydrophobicContact CG-SD 4.34Å; L255-M259 VanDerWaalsContact O-CG 3.29Å; L255-M259 WeakPolarHBondContact O-CG 2.92Å; L255-M259 PolarHBondContact O-N 3.2Å
256K65.9Low63.5Low75 Ų7555.4 Ų55.433%0.32628%0.275SS..Hα-helixtrans-58.8-43.6173.2-70.7-175173.5-172.20111.3N252 M259 N260N252-K256 PolarHBondContact O-N 3.23Å; K256-M259 PolarHBondContact O-N 3.02Å; K256-N260 PolarHBondContact O-N 3.15Å; K256-N260 PolarHBondContact O-OD1 3.44Å
257H68.6Low64.4Low44 Ų4448.6 Ų48.620%0.20425%0.252CS..Hα-helixtrans-62.1-49.6176.8-176.361.5000111.8F183 S253 L254 L255 M259 N260 E261F183-H257 AromaticContact CD1-CD2 3.83Å; F183-H257 AromaticContact CD1-NE2 3.68Å; F183-H257 AromaticContact CE1-CD2 3.49Å; F183-H257 VanDerWaalsContact CE1-CD2 3.49Å; F183-H257 WeakPolarHBondContact CE1-CD2 3.22Å; F183-H257 AromaticContact CE1-NE2 3.83Å; S253-H257 WeakPolarHBondContact O-CB 3.46Å; S253-H257 PolarHBondContact O-N 3.16Å; L254-H257 PolarHBondContact O-N 3.12Å; L255-H257 VanDerWaalsContact C-N 3.3Å; L255-H257 PolarHBondContact O-N 3.49Å; H257-M259 VanDerWaalsContact C-N 3.27Å; H257-M259 PolarHBondContact O-N 3.47Å; H257-N260 PolarHBondContact O-N 3.18Å; H257-N260 VanDerWaalsContact O-N 3.1Å; H257-E261 IonicContact CE1-OE1 3.05Å; H257-E261 PolarHBondContact CE1-OE1 3.25Å; H257-E261 IonicContact ND1-OE1 2.89Å; H257-E261 IonicContact NE2-OE1 3.34Å; H257-E261 VanDerWaalsContact O-CG 3.28Å; H257-E261 WeakPolarHBondContact O-CG 3.49Å; H257-E261 PolarHBondContact O-N 3.35Å
258C73.4Confident65.7Low0 Ų041.2 Ų41.20%022%0.218CC..Hα-helixtrans-58.5-37.4176.1-68.80000113L215 F237 L254 L255 E261 M262L215-C258 WeakPolarHBondContact CD2-SG 3.45Å; F237-C258 HydrophobicContact CD1-CB 4.01Å; F237-C258 WeakPolarHBondContact CD1-SG 3.38Å; F237-C258 HydrophobicContact CE1-CB 4.39Å; F237-C258 VanDerWaalsContact CE1-SG 3.59Å; L254-C258 PolarHBondContact O-N 3.46Å; L254-C258 PolarHBondContact O-SG 3.46Å; L254-C258 VanDerWaalsContact O-SG 3.41Å; L255-C258 PolarHBondContact O-N 3.34Å; C258-E261 PolarHBondContact O-N 3.45Å; C258-M262 WeakPolarHBondContact O-CB 3.3Å; C258-M262 PolarHBondContact O-N 3.46Å
259M70.5Confident67.2Low32 Ų3239 Ų3916%0.15821%0.205CC..Hα-helixtrans-63.4-45.4175.1-72.5171.1176.400111.4I238 L255 K256 H257 M262 M263 V282I238-M259 HydrophobicContact CD1-CG 3.79Å; I238-M259 HydrophobicContact CG1-CG 4.34Å; I238-M259 HydrophobicContact CG2-CE 4.2Å; L255-M259 HydrophobicContact CD1-CE 4.02Å; L255-M259 HydrophobicContact CD2-CE 3.92Å; L255-M259 HydrophobicContact CG-CE 3.72Å; L255-M259 HydrophobicContact CG-SD 4.34Å; L255-M259 VanDerWaalsContact O-CG 3.29Å; L255-M259 WeakPolarHBondContact O-CG 2.92Å; L255-M259 PolarHBondContact O-N 3.2Å; K256-M259 PolarHBondContact O-N 3.02Å; H257-M259 VanDerWaalsContact C-N 3.27Å; H257-M259 PolarHBondContact O-N 3.47Å; M259-M262 PolarHBondContact O-N 3.32Å; M259-M263 WeakPolarHBondContact O-CG 3.5Å; M259-M263 PolarHBondContact O-N 3.15Å; M259-V282 HydrophobicContact CE-CB 4.5Å; M259-V282 HydrophobicContact CE-CG1 3.73Å; M259-V282 HydrophobicContact CE-CG2 3.98Å; M259-V282 HydrophobicContact CG-CG2 4.45Å; M259-V282 HydrophobicContact SD-CG1 3.67Å; M259-V282 HydrophobicContact SD-CG2 4.3Å
260N69.4Low68.8Low43 Ų4334.9 Ų34.923%0.2318%0.183CC..Hα-helixtrans-64.5-41.5176.6-67.4-3.8000111.7K256 H257 M262 M263 D264 M296K256-N260 PolarHBondContact O-N 3.15Å; K256-N260 PolarHBondContact O-OD1 3.44Å; H257-N260 PolarHBondContact O-N 3.18Å; H257-N260 VanDerWaalsContact O-N 3.1Å; N260-M262 PolarHBondContact O-N 3.47Å; N260-M263 PolarHBondContact O-N 3.27Å; N260-D264 PolarHBondContact O-N 3.36Å; N260-M296 HydrophobicContact CB-CE 4.24Å; N260-M296 WeakPolarHBondContact OD1-CE 3.48Å
261E74.2Confident70.4Confident19 Ų1931.2 Ų31.29%0.08916%0.155CC..Hα-helixtrans-64.1-39.3177.4-67.9-64.9132.400111.9K222 H257 C258 D264 C265K222-E261 VanDerWaalsContact CD-OE2 3.32Å; K222-E261 WeakPolarHBondContact CD-OE2 3.48Å; K222-E261 WeakPolarHBondContact CE-OE2 3.47Å; K222-E261 IonicContact NZ-OE2 3.8Å; K222-E261 PolarHBondContact NZ-OE2 3.09Å; H257-E261 IonicContact CE1-OE1 3.05Å; H257-E261 PolarHBondContact CE1-OE1 3.25Å; H257-E261 IonicContact ND1-OE1 2.89Å; H257-E261 IonicContact NE2-OE1 3.34Å; H257-E261 VanDerWaalsContact O-CG 3.28Å; H257-E261 WeakPolarHBondContact O-CG 3.49Å; H257-E261 PolarHBondContact O-N 3.35Å; C258-E261 PolarHBondContact O-N 3.45Å; E261-D264 PolarHBondContact O-N 3.39Å; E261-C265 PolarHBondContact O-N 3.02Å; E261-C265 PolarHBondContact O-SG 3.48Å
262M77.9Confident71.7Confident10 Ų1023.5 Ų23.55%0.04912%0.119CC..Hα-helixtrans-62.3-45.6174.4-171.3169.9175.500111.6C234 A235 I238 C258 M259 N260 C265 Y266 C278C234-M262 HydrophobicContact CB-CB 3.63Å; C234-M262 HydrophobicContact CB-CG 3.93Å; C234-M262 HydrophobicContact CB-SD 4.06Å; A235-M262 HydrophobicContact CB-CE 3.57Å; A235-M262 HydrophobicContact CB-SD 4.22Å; I238-M262 HydrophobicContact CD1-SD 3.77Å; C258-M262 WeakPolarHBondContact O-CB 3.3Å; C258-M262 PolarHBondContact O-N 3.46Å; M259-M262 PolarHBondContact O-N 3.32Å; N260-M262 PolarHBondContact O-N 3.47Å; M262-C265 WeakPolarHBondContact O-CB 3.44Å; M262-C265 PolarHBondContact O-N 3.06Å; M262-Y266 HydrophobicContact CE-CE2 3.52Å; M262-Y266 WeakPolarHBondContact CE-OH 3.33Å; M262-Y266 HydrophobicContact CG-CD2 4.13Å; M262-Y266 HydrophobicContact CG-CE2 3.69Å; M262-Y266 WeakPolarHBondContact O-CD2 2.77Å; M262-Y266 PolarHBondContact O-N 3.02Å; M262-Y266 VanDerWaalsContact O-N 3.09Å; M262-Y266 HydrophobicContact SD-CE2 4.42Å; M262-C278 HydrophobicContact CE-CB 4.16Å; M262-C278 VanDerWaalsContact CE-SG 3.57Å
263M71.2Confident72.6Confident10 Ų1026.3 Ų26.35%0.04913%0.134CC..Hα-helixtrans-63.3-45.3177-71.5-61-62.300111.6M259 N260 C265 Y266 V267 A275 L279 M296M259-M263 WeakPolarHBondContact O-CG 3.5Å; M259-M263 PolarHBondContact O-N 3.15Å; N260-M263 PolarHBondContact O-N 3.27Å; M263-C265 VanDerWaalsContact C-N 3.26Å; M263-C265 PolarHBondContact O-N 3.46Å; M263-Y266 PolarHBondContact O-N 3.44Å; M263-V267 WeakPolarHBondContact O-CB 3.14Å; M263-V267 WeakPolarHBondContact O-CG2 3.27Å; M263-V267 PolarHBondContact O-N 3.43Å; M263-A275 HydrophobicContact CE-CB 3.8Å; M263-A275 HydrophobicContact SD-CB 4.16Å; M263-L279 HydrophobicContact CE-CD1 3.64Å; M263-L279 HydrophobicContact CE-CD2 4.02Å; M263-L279 HydrophobicContact CE-CG 3.72Å; M263-L279 HydrophobicContact SD-CD1 4.44Å; M263-L279 HydrophobicContact SD-CD2 4.04Å; M263-L279 HydrophobicContact SD-CG 3.85Å; M263-M296 HydrophobicContact CB-CE 4.44Å; M263-M296 HydrophobicContact CB-SD 3.9Å; M263-M296 HydrophobicContact CE-SD 4.27Å; M263-M296 HydrophobicContact CG-SD 3.77Å
264D71.4Confident73.4Confident23 Ų2325.9 Ų25.912%0.12313%0.132CC..Hα-helixtrans-58.1-39.2174.617950.4000111.3K222 N260 E261 V267 S268 K361K222-D264 WeakPolarHBondContact CE-OD2 3.29Å; K222-D264 IonicContact NZ-OD2 2.87Å; K222-D264 PolarHBondContact NZ-OD2 3.14Å; N260-D264 PolarHBondContact O-N 3.36Å; E261-D264 PolarHBondContact O-N 3.39Å; D264-V267 PolarHBondContact O-N 2.87Å; D264-S268 WeakPolarHBondContact O-CB 3.48Å; D264-S268 PolarHBondContact O-N 3.19Å; D264-S268 PolarHBondContact O-OG 3.08Å; D264-K361 VanDerWaalsContact CG-NZ 3.3Å; D264-K361 IonicContact OD1-NZ 2.98Å; D264-K361 PolarHBondContact OD1-NZ 3.26Å; D264-K361 VanDerWaalsContact OD1-NZ 3.07Å; D264-K361 IonicContact OD2-NZ 3.52Å; D264-K361 PolarHBondContact OD2-NZ 3.12Å
265C81.6Confident73.4Confident0 Ų024.9 Ų24.90%013%0.127CC..Hα-helixtrans-62.5-48.4176-670000112.4Y227 A231 E261 M262 M263 V267 S268 V269Y227-C265 HydrophobicContact CD1-CB 4.44Å; A231-C265 HydrophobicContact CB-CB 3.95Å; E261-C265 PolarHBondContact O-N 3.02Å; E261-C265 PolarHBondContact O-SG 3.48Å; M262-C265 WeakPolarHBondContact O-CB 3.44Å; M262-C265 PolarHBondContact O-N 3.06Å; M263-C265 VanDerWaalsContact C-N 3.26Å; M263-C265 PolarHBondContact O-N 3.46Å; C265-V267 VanDerWaalsContact C-N 3.35Å; C265-V267 PolarHBondContact O-N 2.98Å; C265-S268 WeakPolarHBondContact O-CB 3.49Å; C265-S268 PolarHBondContact O-N 2.92Å; C265-V269 PolarHBondContact O-N 3.35Å
266Y78.4Confident73.4Confident41 Ų4125.9 Ų25.916%0.16113%0.132CC..Hα-helixtrans-65.2-38.7178.7-72.2-52.5000112.9A231 M262 M263 S268 V269 N270 D271 A274 A275 C278A231-Y266 HydrophobicContact CB-CD1 4.32Å; A231-Y266 HydrophobicContact CB-CE1 3.83Å; A231-Y266 HydrophobicContact CB-CE2 4.25Å; M262-Y266 HydrophobicContact CE-CE2 3.52Å; M262-Y266 WeakPolarHBondContact CE-OH 3.33Å; M262-Y266 HydrophobicContact CG-CD2 4.13Å; M262-Y266 HydrophobicContact CG-CE2 3.69Å; M262-Y266 WeakPolarHBondContact O-CD2 2.77Å; M262-Y266 PolarHBondContact O-N 3.02Å; M262-Y266 VanDerWaalsContact O-N 3.09Å; M262-Y266 HydrophobicContact SD-CE2 4.42Å; M263-Y266 PolarHBondContact O-N 3.44Å; Y266-S268 VanDerWaalsContact C-N 3.31Å; Y266-S268 PolarHBondContact O-N 2.9Å; Y266-V269 CarbonylContact O-C 3.5Å; Y266-V269 WeakPolarHBondContact O-CG2 3.39Å; Y266-V269 PolarHBondContact O-N 3.44Å; Y266-N270 PolarHBondContact O-N 2.68Å; Y266-D271 HydrophobicContact CD1-CB 4.12Å; Y266-D271 PolarHBondContact O-N 3.38Å; Y266-A274 HydrophobicContact CD1-CB 3.74Å; Y266-A274 HydrophobicContact CE1-CB 3.52Å; Y266-A274 HydrophobicContact CE2-CB 4.3Å; Y266-A274 HydrophobicContact CG-CB 4.25Å; Y266-A275 HydrophobicContact CD2-CB 4.43Å; Y266-A275 HydrophobicContact CG-CB 4.44Å; Y266-C278 HydrophobicContact CE2-CB 4.45Å
267V71.3Confident73.8Confident17 Ų1727.4 Ų27.410%0.10314%0.14CC..Hα-helixtrans-64-40.1174.9172.30000110.7L19 M263 D264 C265 V269 N270 Y299 M303L19-V267 HydrophobicContact CD1-CG1 3.86Å; M263-V267 WeakPolarHBondContact O-CB 3.14Å; M263-V267 WeakPolarHBondContact O-CG2 3.27Å; M263-V267 PolarHBondContact O-N 3.43Å; D264-V267 PolarHBondContact O-N 2.87Å; C265-V267 VanDerWaalsContact C-N 3.35Å; C265-V267 PolarHBondContact O-N 2.98Å; V267-V269 PolarHBondContact O-N 2.84Å; V267-N270 PolarHBondContact O-N 2.64Å; V267-Y299 HydrophobicContact CG1-CE1 4.18Å; V267-Y299 VanDerWaalsContact CG1-OH 3.25Å; V267-Y299 WeakPolarHBondContact CG1-OH 3.34Å; V267-Y299 HydrophobicContact CG2-CE1 3.72Å; V267-M303 HydrophobicContact CG1-CE 4.34Å
268S75.7Confident73.8Confident7 Ų726 Ų265%0.04914%0.135CC..Hα-helixtrans-61.2-29.1177.7-64.30000113.6D264 C265 Y266 K361 T364D264-S268 WeakPolarHBondContact O-CB 3.48Å; D264-S268 PolarHBondContact O-N 3.19Å; D264-S268 PolarHBondContact O-OG 3.08Å; C265-S268 WeakPolarHBondContact O-CB 3.49Å; C265-S268 PolarHBondContact O-N 2.92Å; Y266-S268 VanDerWaalsContact C-N 3.31Å; Y266-S268 PolarHBondContact O-N 2.9Å; S268-K361 WeakPolarHBondContact OG-CD 3.43Å; S268-K361 WeakPolarHBondContact OG-CE 3.49Å; S268-K361 WeakPolarHBondContact OG-CG 3.44Å; S268-K361 PolarHBondContact OG-NZ 3.26Å; S268-T364 WeakPolarHBondContact O-CB 3.47Å; S268-T364 PolarHBondContact O-OG1 2.97Å
269V81.7Confident73.3Confident2 Ų227.2 Ų27.21%0.01214%0.142CC..THydrogen-bonded Turntrans-104.69174.8-59.20000113.1Y227 C265 Y266 V267 D271 L403 R406Y227-V269 HydrophobicContact CD2-CG1 3.92Å; Y227-V269 HydrophobicContact CG-CG1 4.15Å; C265-V269 PolarHBondContact O-N 3.35Å; Y266-V269 CarbonylContact O-C 3.5Å; Y266-V269 WeakPolarHBondContact O-CG2 3.39Å; Y266-V269 PolarHBondContact O-N 3.44Å; V267-V269 PolarHBondContact O-N 2.84Å; V269-D271 VanDerWaalsContact C-N 3.26Å; V269-D271 HydrophobicContact CG2-CB 4.04Å; V269-D271 PolarHBondContact O-N 2.93Å; V269-L403 HydrophobicContact CB-CB 4.4Å; V269-L403 HydrophobicContact CB-CD2 4.21Å; V269-L403 HydrophobicContact CG1-CD2 4.17Å; V269-R406 PolarHBondContact O-NH2 2.86Å
270N75.4Confident73.2Confident24 Ų2429.8 Ų29.813%0.12816%0.156CC..THydrogen-bonded Turntrans50.939-176.7-166.823.8000114.1Y266 V267 M272 T364 N368 R406Y266-N270 PolarHBondContact O-N 2.68Å; V267-N270 PolarHBondContact O-N 2.64Å; N270-M272 PolarHBondContact O-N 3.49Å; N270-T364 HydrophobicContact CB-CG2 3.6Å; N270-N368 PolarHBondContact ND2-ND2 2.92Å; N270-N368 PolarHBondContact ND2-OD1 3.04Å; N270-R406 PolarHBondContact O-NH1 3.17Å
271D78.8Confident73.1Confident26 Ų2633.2 Ų33.214%0.13917%0.169CC..  trans-95.675.7172.8-164.2-15.2000111.3Y266 V269 N273 A274 A275 R406Y266-D271 HydrophobicContact CD1-CB 4.12Å; Y266-D271 PolarHBondContact O-N 3.38Å; V269-D271 VanDerWaalsContact C-N 3.26Å; V269-D271 HydrophobicContact CG2-CB 4.04Å; V269-D271 PolarHBondContact O-N 2.93Å; D271-N273 VanDerWaalsContact C-N 3.27Å; D271-N273 PolarHBondContact O-N 3.02Å; D271-A274 HydrophobicContact CB-CB 4.26Å; D271-A274 VanDerWaalsContact CG-CB 3.48Å; D271-A274 PolarHBondContact O-N 3.27Å; D271-A274 WeakPolarHBondContact OD1-CB 3.35Å; D271-A274 PolarHBondContact OD1-N 3.35Å; D271-A274 VanDerWaalsContact OD1-N 3.14Å; D271-A275 WeakPolarHBondContact O-CB 3.23Å; D271-A275 PolarHBondContact O-N 2.83Å; D271-R406 VanDerWaalsContact CA-NH1 3.3Å
272M70Confident72.3Confident10 Ų1034 Ų345%0.04918%0.175CC..Hα-helixtrans-69.3-26.1-175.3-59.1-49.5-52.300113.2N270 L276 A300 M303N270-M272 PolarHBondContact O-N 3.49Å; M272-L276 VanDerWaalsContact O-CB 3.32Å; M272-L276 WeakPolarHBondContact O-CB 3.39Å; M272-L276 PolarHBondContact O-N 2.88Å; M272-A300 HydrophobicContact CE-CB 4.16Å; M272-M303 HydrophobicContact CE-CB 3.19Å; M272-M303 HydrophobicContact CE-CG 4.23Å; M272-M303 HydrophobicContact CG-CB 4.24Å; M272-M303 HydrophobicContact SD-CB 3.65Å; M272-M303 HydrophobicContact SD-CE 4.37Å
273N73.8Confident71.3Confident113 Ų11336 Ų3660%0.60419%0.189SC*.Hα-helixtrans-70.2-47.8177.1-72.2-28.9000110.5D271 A275 L276 E277D271-N273 VanDerWaalsContact C-N 3.27Å; D271-N273 PolarHBondContact O-N 3.02Å; N273-A275 VanDerWaalsContact C-N 3.32Å; N273-A275 PolarHBondContact O-N 3.03Å; N273-L276 PolarHBondContact O-N 3.4Å; N273-E277 WeakPolarHBondContact O-CB 3.29Å; N273-E277 PolarHBondContact O-N 3.23Å
274A76.7Confident70.6Confident18 Ų1843.2 Ų43.215%0.14922%0.222CC..Hα-helixtrans-63.5-39.2175.200000111.8Y266 D271 E277 C278Y266-A274 HydrophobicContact CD1-CB 3.74Å; Y266-A274 HydrophobicContact CE1-CB 3.52Å; Y266-A274 HydrophobicContact CE2-CB 4.3Å; Y266-A274 HydrophobicContact CG-CB 4.25Å; D271-A274 HydrophobicContact CB-CB 4.26Å; D271-A274 VanDerWaalsContact CG-CB 3.48Å; D271-A274 PolarHBondContact O-N 3.27Å; D271-A274 WeakPolarHBondContact OD1-CB 3.35Å; D271-A274 PolarHBondContact OD1-N 3.35Å; D271-A274 VanDerWaalsContact OD1-N 3.14Å; A274-E277 PolarHBondContact O-N 3.39Å; A274-C278 VanDerWaalsContact O-CB 3.3Å; A274-C278 WeakPolarHBondContact O-CB 3.41Å; A274-C278 PolarHBondContact O-N 2.79Å
275A67.6Low69.7Low0 Ų047.6 Ų47.60%024%0.241CC..Hα-helixtrans-59.6-48174.500000112.1M263 Y266 D271 N273 C278 L279M263-A275 HydrophobicContact CE-CB 3.8Å; M263-A275 HydrophobicContact SD-CB 4.16Å; Y266-A275 HydrophobicContact CD2-CB 4.43Å; Y266-A275 HydrophobicContact CG-CB 4.44Å; D271-A275 WeakPolarHBondContact O-CB 3.23Å; D271-A275 PolarHBondContact O-N 2.83Å; N273-A275 VanDerWaalsContact C-N 3.32Å; N273-A275 PolarHBondContact O-N 3.03Å; A275-C278 WeakPolarHBondContact O-CB 3.35Å; A275-C278 PolarHBondContact O-N 3.27Å; A275-L279 WeakPolarHBondContact O-CG 3.28Å; A275-L279 PolarHBondContact O-N 3.31Å
276L67.9Low68.1Low30 Ų3049 Ų4916%0.15725%0.25CS..Hα-helixtrans-68-40.9-179.8-17070.2000112.1M272 N273 C278 L279 N280 A300 K304M272-L276 VanDerWaalsContact O-CB 3.32Å; M272-L276 WeakPolarHBondContact O-CB 3.39Å; M272-L276 PolarHBondContact O-N 2.88Å; N273-L276 PolarHBondContact O-N 3.4Å; L276-C278 VanDerWaalsContact C-N 3.29Å; L276-C278 PolarHBondContact O-N 3.46Å; L276-L279 PolarHBondContact O-N 3.43Å; L276-N280 WeakPolarHBondContact O-CB 3.37Å; L276-N280 PolarHBondContact O-N 2.88Å; L276-N280 PolarHBondContact O-ND2 3.2Å; L276-A300 HydrophobicContact CD1-CB 4.25Å; L276-K304 HydrophobicContact CD2-CD 4.04Å
277E74Confident66.3Low106 Ų10653.4 Ų53.450%0.49528%0.284SS..Hα-helixtrans-60.3-42.3174.8-167.6-170.3157.300111N273 A274 N280 K281N273-E277 WeakPolarHBondContact O-CB 3.29Å; N273-E277 PolarHBondContact O-N 3.23Å; A274-E277 PolarHBondContact O-N 3.39Å; E277-N280 PolarHBondContact O-N 2.98Å; E277-K281 WeakPolarHBondContact O-CG 3.39Å; E277-K281 PolarHBondContact O-N 3.02Å; E277-K281 WeakPolarHBondContact OE1-CE 3.47Å; E277-K281 IonicContact OE1-NZ 3.27Å; E277-K281 PolarHBondContact OE1-NZ 3.26Å
278C68.8Low64.8Low14 Ų1455.1 Ų55.110%0.09530%0.3CS..Hα-helixtrans-61.2-49.1174.5-177.40000111.8M262 Y266 A274 A275 L276 N280 K281 V282M262-C278 HydrophobicContact CE-CB 4.16Å; M262-C278 VanDerWaalsContact CE-SG 3.57Å; Y266-C278 HydrophobicContact CE2-CB 4.45Å; A274-C278 VanDerWaalsContact O-CB 3.3Å; A274-C278 WeakPolarHBondContact O-CB 3.41Å; A274-C278 PolarHBondContact O-N 2.79Å; A275-C278 WeakPolarHBondContact O-CB 3.35Å; A275-C278 PolarHBondContact O-N 3.27Å; L276-C278 VanDerWaalsContact C-N 3.29Å; L276-C278 PolarHBondContact O-N 3.46Å; C278-N280 VanDerWaalsContact C-N 3.29Å; C278-N280 PolarHBondContact O-N 3.41Å; C278-K281 WeakPolarHBondContact O-CB 3.3Å; C278-K281 PolarHBondContact O-N 2.86Å; C278-K281 VanDerWaalsContact O-N 3.14Å; C278-V282 WeakPolarHBondContact O-CG2 3.3Å; C278-V282 PolarHBondContact O-N 3.31Å
279L63.7Low63.1Low26 Ų2660.6 Ų60.614%0.13634%0.336CS..Hα-helixtrans-57.4-42.4177.4-74.7173.6000112.2M263 A275 L276 V282 C283 M296 A300M263-L279 HydrophobicContact CE-CD1 3.64Å; M263-L279 HydrophobicContact CE-CD2 4.02Å; M263-L279 HydrophobicContact CE-CG 3.72Å; M263-L279 HydrophobicContact SD-CD1 4.44Å; M263-L279 HydrophobicContact SD-CD2 4.04Å; M263-L279 HydrophobicContact SD-CG 3.85Å; A275-L279 WeakPolarHBondContact O-CG 3.28Å; A275-L279 PolarHBondContact O-N 3.31Å; L276-L279 PolarHBondContact O-N 3.43Å; L279-V282 PolarHBondContact O-N 2.86Å; L279-C283 WeakPolarHBondContact O-CB 3.44Å; L279-C283 PolarHBondContact O-N 2.93Å; L279-C283 PolarHBondContact O-SG 3.3Å; L279-M296 HydrophobicContact CD2-CB 4.09Å; L279-A300 HydrophobicContact CD1-CB 3.54Å
280N68.2Low61.1Low87 Ų8767 Ų6747%0.46537%0.37SS..Hα-helixtrans-62.7-44.9176.5-74.1-28.2000111.5L276 E277 C278 V282 C283 H284L276-N280 WeakPolarHBondContact O-CB 3.37Å; L276-N280 PolarHBondContact O-N 2.88Å; L276-N280 PolarHBondContact O-ND2 3.2Å; E277-N280 PolarHBondContact O-N 2.98Å; C278-N280 VanDerWaalsContact C-N 3.29Å; C278-N280 PolarHBondContact O-N 3.41Å; N280-V282 PolarHBondContact O-N 3.42Å; N280-C283 PolarHBondContact O-N 2.79Å; N280-H284 PolarHBondContact O-CD2 3.34Å; N280-H284 PolarHBondContact O-N 3.49Å
281K66Low59.6Low115 Ų11569.6 Ų69.650%0.539%0.386SS..Hα-helixtrans-58.5-46.3174.8-74.1173.7-175.3167.60111.2E277 C278 C283 H284 F285E277-K281 WeakPolarHBondContact O-CG 3.39Å; E277-K281 PolarHBondContact O-N 3.02Å; E277-K281 WeakPolarHBondContact OE1-CE 3.47Å; E277-K281 IonicContact OE1-NZ 3.27Å; E277-K281 PolarHBondContact OE1-NZ 3.26Å; C278-K281 WeakPolarHBondContact O-CB 3.3Å; C278-K281 PolarHBondContact O-N 2.86Å; C278-K281 VanDerWaalsContact O-N 3.14Å; K281-C283 PolarHBondContact O-N 2.93Å; K281-H284 PolarHBondContact O-N 3.4Å; K281-F285 WeakPolarHBondContact O-CD2 3.28Å; K281-F285 VanDerWaalsContact O-CE2 3.26Å; K281-F285 WeakPolarHBondContact O-CE2 3.39Å
282V59.1Low57.9Low36 Ų3671.3 Ų71.322%0.21840%0.395CS..Hα-helixtrans-65.8-39.2-178.8175.30000112.3M259 C278 L279 N280 H284 F285M259-V282 HydrophobicContact CE-CB 4.5Å; M259-V282 HydrophobicContact CE-CG1 3.73Å; M259-V282 HydrophobicContact CE-CG2 3.98Å; M259-V282 HydrophobicContact CG-CG2 4.45Å; M259-V282 HydrophobicContact SD-CG1 3.67Å; M259-V282 HydrophobicContact SD-CG2 4.3Å; C278-V282 WeakPolarHBondContact O-CG2 3.3Å; C278-V282 PolarHBondContact O-N 3.31Å; L279-V282 PolarHBondContact O-N 2.86Å; N280-V282 PolarHBondContact O-N 3.42Å; V282-H284 PolarHBondContact O-N 3.31Å; V282-F285 PolarHBondContact O-N 3.47Å
283C55.1Low56.4Low50 Ų5079.6 Ų79.634%0.33843%0.426SS..Hα-helixtrans-59.5-29.9178.6-75.50000113.4L279 N280 K281 F285L279-C283 WeakPolarHBondContact O-CB 3.44Å; L279-C283 PolarHBondContact O-N 2.93Å; L279-C283 PolarHBondContact O-SG 3.3Å; N280-C283 PolarHBondContact O-N 2.79Å; K281-C283 PolarHBondContact O-N 2.93Å; C283-F285 VanDerWaalsContact C-N 3.25Å; C283-F285 PolarHBondContact O-N 3.23Å
284H57.8Low54.7Low162 Ų16276.6 Ų76.675%0.7541%0.413SS*.THydrogen-bonded Turntrans-71.2-17.5177.7-74.3-63.2000113.7N280 K281 V282N280-H284 PolarHBondContact O-CD2 3.34Å; N280-H284 PolarHBondContact O-N 3.49Å; K281-H284 PolarHBondContact O-N 3.4Å; V282-H284 PolarHBondContact O-N 3.31Å
285F51.6Low53.2Low116 Ų11676.9 Ų76.951%0.50941%0.414SS..THydrogen-bonded Turntrans-103.9-8-174.3-63.8-74000115.3L242 K281 V282 C283L242-F285 HydrophobicContact CD1-CD2 3.96Å; L242-F285 HydrophobicContact CD1-CE2 3.99Å; L242-F285 HydrophobicContact CD1-CG 4.32Å; L242-F285 HydrophobicContact CD1-CZ 4.34Å; L242-F285 HydrophobicContact CD2-CB 4Å; L242-F285 HydrophobicContact CD2-CD1 3.98Å; L242-F285 HydrophobicContact CD2-CD2 4.29Å; L242-F285 HydrophobicContact CD2-CG 3.83Å; K281-F285 WeakPolarHBondContact O-CD2 3.28Å; K281-F285 VanDerWaalsContact O-CE2 3.26Å; K281-F285 WeakPolarHBondContact O-CE2 3.39Å; V282-F285 PolarHBondContact O-N 3.47Å; C283-F285 VanDerWaalsContact C-N 3.25Å; C283-F285 PolarHBondContact O-N 3.23Å
286S48.2Very low52Low28 Ų2878.4 Ų78.420%0.19642%0.421CS..  trans-129.996.8175.5-170.80000111.2A288S286-A288 PolarHBondContact O-N 3.42Å
287P41.5Very low50.8Low134 Ų13478.7 Ų78.787%0.8743%0.428SS*.  trans-81.17.3177.831.7-32.5000113.6
288A39.9Very low49.4Very low54 Ų5476.9 Ų76.945%0.44642%0.42SS..  trans-79.7133.9178.800000110.9S286 N290S286-A288 PolarHBondContact O-N 3.42Å; A288-N290 PolarHBondContact O-N 3.4Å
289P39.8Very low48.4Very low122 Ų12277.2 Ų77.279%0.79242%0.419SS*.THydrogen-bonded Turntrans-70.35.8-17830.6-35.3000114.3
290N38.6Very low47.5Very low137 Ų13776 Ų7673%0.73341%0.413SS*.THydrogen-bonded Turntrans-11411.5-171-69.9-0.4000114.2A288A288-N290 PolarHBondContact O-N 3.4Å
291V44.2Very low46.4Very low77 Ų7777.1 Ų77.147%0.46742%0.415SS..SBendtrans-84.3113.7152.1-176.70000103.6R293V291-R293 PolarHBondContact O-N 3.29Å
292N43.3Very low45.5Very low62 Ų6275.6 Ų75.633%0.33241%0.411SS..  trans-54.187.2179.4-84-12.5000110P294N292-P294 VanDerWaalsContact C-N 3.28Å
293R38Very low44.9Very low185 Ų18575.1 Ų75.170%0.69841%0.407SS*.Hα-helixtrans-56.9-26.5172.4-120.3-178.4-177.5-174.41114.1V291V291-R293 PolarHBondContact O-N 3.29Å
294P38.4Very low44.5Very low49 Ų4976.6 Ų76.632%0.31841%0.408SS..Hα-helixtrans-82.4-30.2-171.720.4-14.8000114.6L70 N292 Q298L70-P294 HydrophobicContact CD1-CB 4.03Å; L70-P294 HydrophobicContact CD1-CG 4.2Å; L70-P294 HydrophobicContact CD2-CB 4.14Å; N292-P294 VanDerWaalsContact C-N 3.28Å; P294-Q298 WeakPolarHBondContact O-CB 3.16Å; P294-Q298 WeakPolarHBondContact O-CG 3.46Å; P294-Q298 PolarHBondContact O-OE1 3.39Å
295S46.7Very low43.9Very low25 Ų2573.6 Ų73.618%0.17539%0.393CS..Hα-helixtrans-75.6-54.3-174.554.40000114.1E21 Y299E21-S295 VanDerWaalsContact OE2-CB 3.28Å; E21-S295 WeakPolarHBondContact OE2-CB 3.38Å; E21-S295 PolarHBondContact OE2-OG 3.06Å; S295-Y299 WeakPolarHBondContact O-CB 3.25Å; S295-Y299 PolarHBondContact O-N 2.88Å
296M41.4Very low43.5Very low31 Ų3169.5 Ų69.515%0.15338%0.376CS..Hα-helixtrans-75.7-35.6-172.6-76.1-129.1-16000115.2N260 M263 L279 A300N260-M296 HydrophobicContact CB-CE 4.24Å; N260-M296 WeakPolarHBondContact OD1-CE 3.48Å; M263-M296 HydrophobicContact CB-CE 4.44Å; M263-M296 HydrophobicContact CB-SD 3.9Å; M263-M296 HydrophobicContact CE-SD 4.27Å; M263-M296 HydrophobicContact CG-SD 3.77Å; L279-M296 HydrophobicContact CD2-CB 4.09Å; M296-A300 VanDerWaalsContact O-CB 3.3Å; M296-A300 WeakPolarHBondContact O-CB 3.28Å; M296-A300 PolarHBondContact O-N 2.83Å
297A43.1Very low43.1Very low36 Ų3669.2 Ų69.230%0.29838%0.378SS..Hα-helixtrans-74.9-41.6178.900000111.5Y299 A300 E301A297-Y299 VanDerWaalsContact C-N 3.3Å; A297-A300 PolarHBondContact O-N 3.5Å; A297-E301 WeakPolarHBondContact O-CB 3.37Å; A297-E301 WeakPolarHBondContact O-CG 3.34Å; A297-E301 PolarHBondContact O-N 3.42Å
298Q44.9Very low43.4Very low69 Ų6965.4 Ų65.432%0.32235%0.354SS..Hα-helixtrans-66-36.1171.5-64.8174.8-14.900110.8P294 E301 I302P294-Q298 WeakPolarHBondContact O-CB 3.16Å; P294-Q298 WeakPolarHBondContact O-CG 3.46Å; P294-Q298 PolarHBondContact O-OE1 3.39Å; Q298-E301 CarbonylContact O-C 3.51Å; Q298-E301 PolarHBondContact O-N 2.85Å; Q298-I302 VanDerWaalsContact O-CB 3.26Å; Q298-I302 WeakPolarHBondContact O-CB 3.48Å; Q298-I302 WeakPolarHBondContact O-CD1 3.32Å; Q298-I302 WeakPolarHBondContact O-CG1 3.41Å; Q298-I302 PolarHBondContact O-N 3.08Å
299Y47.3Very low43.8Very low20 Ų2066 Ų668%0.07835%0.347CS..Hα-helixtrans-66.5-43.2173.9176.1-102.2000112.5L19 V267 S295 A297 E301 I302 M303L19-Y299 HydrophobicContact CB-CE1 3.99Å; L19-Y299 HydrophobicContact CB-CE2 4.01Å; L19-Y299 VanDerWaalsContact CD1-OH 3.26Å; L19-Y299 WeakPolarHBondContact CD1-OH 3.47Å; L19-Y299 HydrophobicContact CD2-CD2 4.21Å; L19-Y299 HydrophobicContact CD2-CE2 3.16Å; L19-Y299 WeakPolarHBondContact CD2-OH 3.45Å; L19-Y299 HydrophobicContact CG-CE2 4Å; L19-Y299 WeakPolarHBondContact CG-OH 3.31Å; V267-Y299 HydrophobicContact CG1-CE1 4.18Å; V267-Y299 VanDerWaalsContact CG1-OH 3.25Å; V267-Y299 WeakPolarHBondContact CG1-OH 3.34Å; V267-Y299 HydrophobicContact CG2-CE1 3.72Å; S295-Y299 WeakPolarHBondContact O-CB 3.25Å; S295-Y299 PolarHBondContact O-N 2.88Å; A297-Y299 VanDerWaalsContact C-N 3.3Å; Y299-E301 VanDerWaalsContact C-N 3.3Å; Y299-E301 PolarHBondContact O-N 3.29Å; Y299-I302 PolarHBondContact O-N 3.31Å; Y299-M303 HydrophobicContact CD1-CG 4.35Å; Y299-M303 HydrophobicContact CD2-CG 4.01Å; Y299-M303 HydrophobicContact CE1-CG 3.84Å; Y299-M303 HydrophobicContact CE2-CG 3.4Å; Y299-M303 VanDerWaalsContact CE2-CG 3.4Å; Y299-M303 HydrophobicContact CE2-SD 4.1Å; Y299-M303 HydrophobicContact CG-CG 4.42Å; Y299-M303 WeakPolarHBondContact O-CB 3.46Å; Y299-M303 WeakPolarHBondContact O-CG 3.1Å; Y299-M303 PolarHBondContact O-N 2.72Å; Y299-M303 VanDerWaalsContact OH-CE 3.27Å; Y299-M303 WeakPolarHBondContact OH-CE 3.27Å; Y299-M303 WeakPolarHBondContact OH-CG 3.48Å
300A44.1Very low43.8Very low1 Ų166.3 Ų66.31%0.00835%0.347CS..Hα-helixtrans-65.1-34.6174.200000112M272 L276 L279 M296 A297 K304M272-A300 HydrophobicContact CE-CB 4.16Å; L276-A300 HydrophobicContact CD1-CB 4.25Å; L279-A300 HydrophobicContact CD1-CB 3.54Å; M296-A300 VanDerWaalsContact O-CB 3.3Å; M296-A300 WeakPolarHBondContact O-CB 3.28Å; M296-A300 PolarHBondContact O-N 2.83Å; A297-A300 PolarHBondContact O-N 3.5Å; A300-K304 WeakPolarHBondContact O-CA 3.28Å; A300-K304 WeakPolarHBondContact O-CB 3.46Å; A300-K304 PolarHBondContact O-N 2.92Å
301E46.5Very low43.7Very low110 Ų11067.2 Ų67.251%0.51435%0.347SS..Hα-helixtrans-69.3-46.4171-78-175.7163.700112.1A297 Q298 Y299 M303 K304 F305A297-E301 WeakPolarHBondContact O-CB 3.37Å; A297-E301 WeakPolarHBondContact O-CG 3.34Å; A297-E301 PolarHBondContact O-N 3.42Å; Q298-E301 CarbonylContact O-C 3.51Å; Q298-E301 PolarHBondContact O-N 2.85Å; Y299-E301 VanDerWaalsContact C-N 3.3Å; Y299-E301 PolarHBondContact O-N 3.29Å; E301-M303 VanDerWaalsContact C-N 3.33Å; E301-M303 PolarHBondContact O-N 2.83Å; E301-K304 CarbonylContact O-C 3.47Å; E301-K304 WeakPolarHBondContact O-CB 3.41Å; E301-K304 PolarHBondContact O-N 3.48Å; E301-F305 WeakPolarHBondContact O-CB 3.39Å; E301-F305 VanDerWaalsContact O-CD2 3.28Å; E301-F305 WeakPolarHBondContact O-CD2 3.28Å; E301-F305 PolarHBondContact O-N 3.32Å
302I47.1Very low43.2Very low83 Ų8368.3 Ų68.343%0.42636%0.355SS..Hα-helixtrans-59.2-44.9175.5-73161.8000110Q298 Y299 F305 L306Q298-I302 VanDerWaalsContact O-CB 3.26Å; Q298-I302 WeakPolarHBondContact O-CB 3.48Å; Q298-I302 WeakPolarHBondContact O-CD1 3.32Å; Q298-I302 WeakPolarHBondContact O-CG1 3.41Å; Q298-I302 PolarHBondContact O-N 3.08Å; Y299-I302 PolarHBondContact O-N 3.31Å; I302-F305 CarbonylContact O-C 3.6Å; I302-F305 WeakPolarHBondContact O-CB 3.47Å; I302-F305 PolarHBondContact O-N 2.94Å; I302-L306 HydrophobicContact CG2-CD1 3.75Å; I302-L306 HydrophobicContact CG2-CG 4.42Å; I302-L306 WeakPolarHBondContact O-CB 3.47Å; I302-L306 VanDerWaalsContact O-CG 3.23Å; I302-L306 WeakPolarHBondContact O-CG 3.45Å; I302-L306 PolarHBondContact O-N 3.13Å
303M45.5Very low42.9Very low26 Ų2669.3 Ų69.313%0.12836%0.359CS..Hα-helixtrans-75.6-26.7178.2-74.9-73.3-80.200112.8V267 M272 Y299 E301 L306 G307V267-M303 HydrophobicContact CG1-CE 4.34Å; M272-M303 HydrophobicContact CE-CB 3.19Å; M272-M303 HydrophobicContact CE-CG 4.23Å; M272-M303 HydrophobicContact CG-CB 4.24Å; M272-M303 HydrophobicContact SD-CB 3.65Å; M272-M303 HydrophobicContact SD-CE 4.37Å; Y299-M303 HydrophobicContact CD1-CG 4.35Å; Y299-M303 HydrophobicContact CD2-CG 4.01Å; Y299-M303 HydrophobicContact CE1-CG 3.84Å; Y299-M303 HydrophobicContact CE2-CG 3.4Å; Y299-M303 VanDerWaalsContact CE2-CG 3.4Å; Y299-M303 HydrophobicContact CE2-SD 4.1Å; Y299-M303 HydrophobicContact CG-CG 4.42Å; Y299-M303 WeakPolarHBondContact O-CB 3.46Å; Y299-M303 WeakPolarHBondContact O-CG 3.1Å; Y299-M303 PolarHBondContact O-N 2.72Å; Y299-M303 VanDerWaalsContact OH-CE 3.27Å; Y299-M303 WeakPolarHBondContact OH-CE 3.27Å; Y299-M303 WeakPolarHBondContact OH-CG 3.48Å; E301-M303 VanDerWaalsContact C-N 3.33Å; E301-M303 PolarHBondContact O-N 2.83Å; M303-L306 CarbonylContact O-C 3.58Å; M303-L306 VanDerWaalsContact O-C 3.28Å; M303-L306 PolarHBondContact O-N 3.15Å; M303-L306 HydrophobicContact SD-CD1 4.45Å; M303-G307 WeakPolarHBondContact O-CA 3.45Å; M303-G307 PolarHBondContact O-N 2.79Å
304K46.7Very low42.9Very low81 Ų8170.6 Ų70.635%0.35237%0.366SS..Hα-helixtrans-68.2-41166.4-177.1179.2178.7-173.70110L276 A300 E301 L306 G307 S308L276-K304 HydrophobicContact CD2-CD 4.04Å; A300-K304 WeakPolarHBondContact O-CA 3.28Å; A300-K304 WeakPolarHBondContact O-CB 3.46Å; A300-K304 PolarHBondContact O-N 2.92Å; E301-K304 CarbonylContact O-C 3.47Å; E301-K304 WeakPolarHBondContact O-CB 3.41Å; E301-K304 PolarHBondContact O-N 3.48Å; K304-L306 VanDerWaalsContact C-N 3.31Å; K304-L306 PolarHBondContact O-N 2.86Å; K304-G307 PolarHBondContact O-N 3.49Å; K304-G307 VanDerWaalsContact O-N 3.15Å; K304-S308 VanDerWaalsContact O-CB 3.27Å; K304-S308 WeakPolarHBondContact O-CB 3.13Å; K304-S308 PolarHBondContact O-N 3.26Å; K304-S308 PolarHBondContact O-OG 2.89Å
305F44.9Very low42.8Very low99 Ų9973.5 Ų73.543%0.43438%0.379SS..Hα-helixtrans-64.2-35171.8-94.1-79.7000112.5E301 I302 I313 L319E301-F305 WeakPolarHBondContact O-CB 3.39Å; E301-F305 VanDerWaalsContact O-CD2 3.28Å; E301-F305 WeakPolarHBondContact O-CD2 3.28Å; E301-F305 PolarHBondContact O-N 3.32Å; I302-F305 CarbonylContact O-C 3.6Å; I302-F305 WeakPolarHBondContact O-CB 3.47Å; I302-F305 PolarHBondContact O-N 2.94Å; F305-I313 HydrophobicContact CD1-CD1 3.98Å; F305-L319 HydrophobicContact CD1-CD1 4.22Å; F305-L319 HydrophobicContact CE1-CD1 3.65Å; F305-L319 HydrophobicContact CE2-CD1 4Å; F305-L319 HydrophobicContact CZ-CD1 3.55Å
306L43.8Very low42.2Very low30 Ų3078 Ų7816%0.15740%0.395CS..THydrogen-bonded Turntrans-90.310.9173.3-64.6168.9000113.1I302 M303 K304 F309 Y326 Y329I302-L306 HydrophobicContact CG2-CD1 3.75Å; I302-L306 HydrophobicContact CG2-CG 4.42Å; I302-L306 WeakPolarHBondContact O-CB 3.47Å; I302-L306 VanDerWaalsContact O-CG 3.23Å; I302-L306 WeakPolarHBondContact O-CG 3.45Å; I302-L306 PolarHBondContact O-N 3.13Å; M303-L306 CarbonylContact O-C 3.58Å; M303-L306 VanDerWaalsContact O-C 3.28Å; M303-L306 PolarHBondContact O-N 3.15Å; M303-L306 HydrophobicContact SD-CD1 4.45Å; K304-L306 VanDerWaalsContact C-N 3.31Å; K304-L306 PolarHBondContact O-N 2.86Å; L306-F309 WeakPolarHBondContact O-CE2 3.42Å; L306-F309 WeakPolarHBondContact O-CZ 3.32Å; L306-Y326 HydrophobicContact CD2-CE2 4.32Å; L306-Y329 HydrophobicContact CD1-CD2 4.44Å; L306-Y329 HydrophobicContact CD1-CE1 4.34Å; L306-Y329 HydrophobicContact CD1-CE2 3.87Å; L306-Y329 HydrophobicContact CD2-CD1 4.12Å; L306-Y329 HydrophobicContact CD2-CE1 3.68Å
307G40Very low41.9Very low22 Ų2284 Ų8423%0.22743%0.428CS..THydrogen-bonded Turntrans-142.8-24.5-168.100000114.2M303 K304 F309M303-G307 WeakPolarHBondContact O-CA 3.45Å; M303-G307 PolarHBondContact O-N 2.79Å; K304-G307 PolarHBondContact O-N 3.49Å; K304-G307 VanDerWaalsContact O-N 3.15Å; G307-F309 WeakPolarHBondContact O-CD2 3.43Å; G307-F309 PolarHBondContact O-N 2.85Å
308S47Very low41.8Very low54 Ų5487 Ų8738%0.37845%0.446SS..  trans-76.363.9165.568.90000109.3K304 T310K304-S308 VanDerWaalsContact O-CB 3.27Å; K304-S308 WeakPolarHBondContact O-CB 3.13Å; K304-S308 PolarHBondContact O-N 3.26Å; K304-S308 PolarHBondContact O-OG 2.89Å; S308-T310 PolarHBondContact O-N 3.18Å; S308-T310 VanDerWaalsContact O-N 3.07Å
309F48.2Very low41.4Very low68 Ų6887.7 Ų87.730%0.29845%0.452SS..THydrogen-bonded Turntrans-76.121.6176.4-66-71.7000113.2L306 G307 L371 A372L306-F309 WeakPolarHBondContact O-CE2 3.42Å; L306-F309 WeakPolarHBondContact O-CZ 3.32Å; G307-F309 WeakPolarHBondContact O-CD2 3.43Å; G307-F309 PolarHBondContact O-N 2.85Å; F309-L371 HydrophobicContact CD2-CD1 4.46Å; F309-A372 HydrophobicContact CZ-CB 4.42Å
310T40.7Very low41Very low128 Ų12895.1 Ų95.179%0.78549%0.493SS*.THydrogen-bonded Turntrans-85.7-15.3174.3500000112.7S308S308-T310 PolarHBondContact O-N 3.18Å; S308-T310 VanDerWaalsContact O-N 3.07Å
311E36.5Very low40.9Very low156 Ų156103.1 Ų103.173%0.72952%0.524SS*.SBendtrans-136.2127.4173.4-66.9-172.9173.200110.6I313E311-I313 PolarHBondContact O-N 2.86Å
312P34.1Very low40.6Very low100 Ų100102.5 Ų102.565%0.64953%0.525SS*.  trans-65.2123.5172.626.3-31.5000109.6Y314P312-Y314 HydrophobicContact CB-CD2 4.21Å; P312-Y314 HydrophobicContact CB-CE2 3.86Å; P312-Y314 HydrophobicContact CG-CD2 4.14Å; P312-Y314 HydrophobicContact CG-CE2 3.72Å; P312-Y314 WeakPolarHBondContact O-CD2 3.39Å; P312-Y314 PolarHBondContact O-N 3.08Å; P312-Y314 VanDerWaalsContact O-N 3.09Å
313I36.7Very low40.3Very low82 Ų82103.4 Ų103.442%0.42154%0.536SS..  trans-71.8105.4178.6-58.5168.8000108.4F305 E311 F316F305-I313 HydrophobicContact CD1-CD1 3.98Å; E311-I313 PolarHBondContact O-N 2.86Å; I313-F316 HydrophobicContact CG2-CD2 4.32Å; I313-F316 HydrophobicContact CG2-CE2 4.35Å
314Y36.8Very low39.9Very low213 Ų213110.3 Ų110.384%0.83556%0.561SS**  trans-96.20171.8-81.4-78.4000113.6P312P312-Y314 HydrophobicContact CB-CD2 4.21Å; P312-Y314 HydrophobicContact CB-CE2 3.86Å; P312-Y314 HydrophobicContact CG-CD2 4.14Å; P312-Y314 HydrophobicContact CG-CE2 3.72Å; P312-Y314 WeakPolarHBondContact O-CD2 3.39Å; P312-Y314 PolarHBondContact O-N 3.08Å; P312-Y314 VanDerWaalsContact O-N 3.09Å
315D36.2Very low39.7Very low109 Ų109108.7 Ų108.758%0.58357%0.567SS**  trans-134.896.9-175.2-146.3-9.6000111.6
316F34.5Very low39.7Very low120 Ų120108.7 Ų108.753%0.52656%0.564SS.*  trans-85.8-9175.9-95.3-92.2000112.5I313 S318 Y326I313-F316 HydrophobicContact CG2-CD2 4.32Å; I313-F316 HydrophobicContact CG2-CE2 4.35Å; F316-S318 VanDerWaalsContact C-N 3.25Å; F316-S318 PolarHBondContact O-N 3.32Å; F316-Y326 HydrophobicContact CE1-CG 4.35Å; F316-Y326 HydrophobicContact CZ-CD1 4.04Å; F316-Y326 HydrophobicContact CZ-CD2 4.36Å; F316-Y326 HydrophobicContact CZ-CE1 4.22Å; F316-Y326 HydrophobicContact CZ-CG 4.12Å
317D35Very low39.9Very low157 Ų157112 Ų11284%0.8458%0.579SS**THydrogen-bonded Turntrans-77.8-5.8-169.5-74.4-18.3000113.7
318S40.3Very low40.1Very low98 Ų98115.2 Ų115.269%0.68559%0.591SS**THydrogen-bonded Turntrans-94.64.2-178.771.50000115.3F316F316-S318 VanDerWaalsContact C-N 3.25Å; F316-S318 PolarHBondContact O-N 3.32Å
319L38.2Very low40.1Very low84 Ų84115.5 Ų115.544%0.4458%0.584SS.*SBendtrans-127.4117.8178.1-81.8155.4000109.6F305 Y321F305-L319 HydrophobicContact CD1-CD1 4.22Å; F305-L319 HydrophobicContact CE1-CD1 3.65Å; F305-L319 HydrophobicContact CE2-CD1 4Å; F305-L319 HydrophobicContact CZ-CD1 3.55Å; L319-Y321 PolarHBondContact O-N 2.77Å
320D37.4Very low40.3Very low177 Ų177114.6 Ų114.695%0.94758%0.582SS**  trans-67.166170.9-84.7-35.2000111.2
321Y42.6Very low40.9Very low168 Ų168115 Ų11566%0.65957%0.57SS**  trans-132.5137.7174.6-95.7-89.4000111.9L319L319-Y321 PolarHBondContact O-N 2.77Å
322D41Very low41.7Very low97 Ų97109.8 Ų109.852%0.51955%0.546SS..  trans-59.9119.7-174.3-168.1-2000111.2R324 G325D322-R324 PolarHBondContact O-N 2.75Å; D322-R324 WeakPolarHBondContact OD1-CG 3.22Å; D322-R324 IonicContact OD1-NE 3.48Å; D322-R324 IonicContact OD2-NE 3.31Å; D322-G325 PolarHBondContact O-N 3.1Å
323P39.3Very low42.5Very low102 Ų102105.2 Ų105.266%0.66252%0.517SS*.THydrogen-bonded Turntrans-56.7-17.4-179.618-30.3000114.1G325 E327P323-G325 VanDerWaalsContact C-N 3.29Å; P323-G325 PolarHBondContact O-N 3.27Å; P323-E327 PolarHBondContact O-N 2.85Å
324R38.4Very low43.3Very low172 Ų172105.5 Ų105.565%0.64952%0.519SS*.Hα-helixtrans-61.7-34.1172.1-61.8177.5-152.6-156.61.8113D322 Y326 E327 D328D322-R324 PolarHBondContact O-N 2.75Å; D322-R324 WeakPolarHBondContact OD1-CG 3.22Å; D322-R324 IonicContact OD1-NE 3.48Å; D322-R324 IonicContact OD2-NE 3.31Å; R324-Y326 VanDerWaalsContact C-N 3.34Å; R324-Y326 PolarHBondContact O-N 3.26Å; R324-E327 PolarHBondContact O-N 3.41Å; R324-D328 VanDerWaalsContact O-CB 3.3Å; R324-D328 WeakPolarHBondContact O-CB 3.41Å; R324-D328 VanDerWaalsContact O-CG 3.22Å; R324-D328 PolarHBondContact O-N 2.77Å
325G42.2Very low44.3Very low46 Ų4699 Ų9947%0.47450%0.504SS..Hα-helixtrans-65.1-35.6-17700000113.4D322 P323 Y329D322-G325 PolarHBondContact O-N 3.1Å; P323-G325 VanDerWaalsContact C-N 3.29Å; P323-G325 PolarHBondContact O-N 3.27Å; G325-Y329 WeakPolarHBondContact O-CB 3.4Å; G325-Y329 PolarHBondContact O-N 3.14Å
326Y45.4Very low45.1Very low99 Ų9994.1 Ų94.139%0.38848%0.478SS..Hα-helixtrans-75.9-39.3176.6-175.7-106.8000112L306 F316 R324 D328 Y329 L330L306-Y326 HydrophobicContact CD2-CE2 4.32Å; F316-Y326 HydrophobicContact CE1-CG 4.35Å; F316-Y326 HydrophobicContact CZ-CD1 4.04Å; F316-Y326 HydrophobicContact CZ-CD2 4.36Å; F316-Y326 HydrophobicContact CZ-CE1 4.22Å; F316-Y326 HydrophobicContact CZ-CG 4.12Å; R324-Y326 VanDerWaalsContact C-N 3.34Å; R324-Y326 PolarHBondContact O-N 3.26Å; Y326-D328 VanDerWaalsContact C-N 3.34Å; Y326-Y329 WeakPolarHBondContact O-CB 3.41Å; Y326-Y329 PolarHBondContact O-N 2.88Å; Y326-L330 HydrophobicContact CD1-CD1 3.95Å; Y326-L330 HydrophobicContact CD1-CG 4.4Å; Y326-L330 HydrophobicContact CE1-CD1 3.45Å; Y326-L330 VanDerWaalsContact CE1-CD1 3.45Å; Y326-L330 HydrophobicContact CE1-CG 4.02Å; Y326-L330 WeakPolarHBondContact O-CG 3.43Å; Y326-L330 PolarHBondContact O-N 2.96Å
327E47Very low46.1Very low100 Ų10089.4 Ų89.447%0.46746%0.458SS..Hα-helixtrans-65.8-38.5174.5-159-175.5158.600111.4P323 R324 L330 R331P323-E327 PolarHBondContact O-N 2.85Å; R324-E327 PolarHBondContact O-N 3.41Å; E327-L330 PolarHBondContact O-N 2.93Å; E327-R331 WeakPolarHBondContact O-CB 3.42Å; E327-R331 VanDerWaalsContact O-CG 3.26Å; E327-R331 WeakPolarHBondContact O-CG 3.37Å; E327-R331 PolarHBondContact O-N 3.24Å; E327-R331 IonicContact OE1-CZ 3.52Å; E327-R331 IonicContact OE1-NE 3.95Å; E327-R331 IonicContact OE1-NH2 2.63Å; E327-R331 PolarHBondContact OE1-NH2 3.11Å
328D45Very low47.1Very low90 Ų9085.7 Ų85.748%0.48145%0.445SS..Hα-helixtrans-67.5-35.8173.3-72.3-28.2000111.9R324 Y326 R331 L332R324-D328 VanDerWaalsContact O-CB 3.3Å; R324-D328 WeakPolarHBondContact O-CB 3.41Å; R324-D328 VanDerWaalsContact O-CG 3.22Å; R324-D328 PolarHBondContact O-N 2.77Å; Y326-D328 VanDerWaalsContact C-N 3.34Å; D328-R331 PolarHBondContact O-N 3.15Å; D328-L332 WeakPolarHBondContact O-CB 3.29Å; D328-L332 PolarHBondContact O-N 2.87Å
329Y47.5Very low47.8Very low59 Ų5984 Ų8423%0.23143%0.428CS..Hα-helixtrans-63.2-47.7171.3176-96.2000111.8L306 G325 Y326 R331 L332 C333L306-Y329 HydrophobicContact CD1-CD2 4.44Å; L306-Y329 HydrophobicContact CD1-CE1 4.34Å; L306-Y329 HydrophobicContact CD1-CE2 3.87Å; L306-Y329 HydrophobicContact CD2-CD1 4.12Å; L306-Y329 HydrophobicContact CD2-CE1 3.68Å; G325-Y329 WeakPolarHBondContact O-CB 3.4Å; G325-Y329 PolarHBondContact O-N 3.14Å; Y326-Y329 WeakPolarHBondContact O-CB 3.41Å; Y326-Y329 PolarHBondContact O-N 2.88Å; Y329-R331 PolarHBondContact O-N 2.68Å; Y329-L332 CarbonylContact O-C 3.56Å; Y329-L332 WeakPolarHBondContact O-CA 3.36Å; Y329-L332 VanDerWaalsContact O-CB 3.29Å; Y329-L332 WeakPolarHBondContact O-CB 3.44Å; Y329-L332 PolarHBondContact O-N 3.42Å; Y329-L332 VanDerWaalsContact O-N 3.1Å; Y329-C333 VanDerWaalsContact CE1-SG 3.6Å; Y329-C333 PolarHBondContact O-N 3Å; Y329-C333 PolarHBondContact O-SG 2.96Å; Y329-C333 VanDerWaalsContact O-SG 3.32Å
330L50.6Low48.4Very low49 Ų4980.6 Ų80.626%0.25741%0.409SS..Hα-helixtrans-61.7-41.5175.7-74.7178.4000111.8Y326 E327 L332 C333 D334Y326-L330 HydrophobicContact CD1-CD1 3.95Å; Y326-L330 HydrophobicContact CD1-CG 4.4Å; Y326-L330 HydrophobicContact CE1-CD1 3.45Å; Y326-L330 VanDerWaalsContact CE1-CD1 3.45Å; Y326-L330 HydrophobicContact CE1-CG 4.02Å; Y326-L330 WeakPolarHBondContact O-CG 3.43Å; Y326-L330 PolarHBondContact O-N 2.96Å; E327-L330 PolarHBondContact O-N 2.93Å; L330-L332 VanDerWaalsContact C-N 3.29Å; L330-L332 PolarHBondContact O-N 3.24Å; L330-C333 WeakPolarHBondContact O-CB 3.45Å; L330-C333 PolarHBondContact O-N 3.4Å; L330-D334 PolarHBondContact O-N 3.32Å
331R54.1Low49.1Very low138 Ų13873.2 Ų73.252%0.52137%0.373SS..Hα-helixtrans-63.2-34.4172.9-74.4174.1-174.4-178.65.3112.6E327 D328 Y329 C335E327-R331 WeakPolarHBondContact O-CB 3.42Å; E327-R331 VanDerWaalsContact O-CG 3.26Å; E327-R331 WeakPolarHBondContact O-CG 3.37Å; E327-R331 PolarHBondContact O-N 3.24Å; E327-R331 IonicContact OE1-CZ 3.52Å; E327-R331 IonicContact OE1-NE 3.95Å; E327-R331 IonicContact OE1-NH2 2.63Å; E327-R331 PolarHBondContact OE1-NH2 3.11Å; D328-R331 PolarHBondContact O-N 3.15Å; Y329-R331 PolarHBondContact O-N 2.68Å; R331-C335 WeakPolarHBondContact O-CB 3.09Å; R331-C335 PolarHBondContact O-N 3.37Å; R331-C335 PolarHBondContact O-SG 3.4Å
332L52.5Low49.4Very low46 Ų4668 Ų6824%0.24137%0.37CS..Hα-helixtrans-66.5-44.5173.2-165.6105.9000110.4L15 F77 D328 Y329 L330 C335 C336L15-L332 HydrophobicContact CD2-CD2 4.42Å; F77-L332 HydrophobicContact CE1-CD1 4.34Å; F77-L332 HydrophobicContact CE2-CD1 4.33Å; F77-L332 HydrophobicContact CZ-CD1 3.5Å; F77-L332 VanDerWaalsContact CZ-CD1 3.5Å; D328-L332 WeakPolarHBondContact O-CB 3.29Å; D328-L332 PolarHBondContact O-N 2.87Å; Y329-L332 CarbonylContact O-C 3.56Å; Y329-L332 WeakPolarHBondContact O-CA 3.36Å; Y329-L332 VanDerWaalsContact O-CB 3.29Å; Y329-L332 WeakPolarHBondContact O-CB 3.44Å; Y329-L332 PolarHBondContact O-N 3.42Å; Y329-L332 VanDerWaalsContact O-N 3.1Å; L330-L332 VanDerWaalsContact C-N 3.29Å; L330-L332 PolarHBondContact O-N 3.24Å; L332-C335 CarbonylContact O-C 3.6Å; L332-C335 WeakPolarHBondContact O-CB 3.41Å; L332-C335 PolarHBondContact O-N 3.21Å; L332-C336 WeakPolarHBondContact O-CB 3.46Å; L332-C336 PolarHBondContact O-N 3.23Å; L332-C336 PolarHBondContact O-SG 3.23Å
333C52.4Low49.6Very low4 Ų467.6 Ų67.63%0.02736%0.364CS..Hα-helixtrans-59.2-45.2174.2-67.70000111.5Y329 L330 C335 C336 I337 V369Y329-C333 VanDerWaalsContact CE1-SG 3.6Å; Y329-C333 PolarHBondContact O-N 3Å; Y329-C333 PolarHBondContact O-SG 2.96Å; Y329-C333 VanDerWaalsContact O-SG 3.32Å; L330-C333 WeakPolarHBondContact O-CB 3.45Å; L330-C333 PolarHBondContact O-N 3.4Å; C333-C335 PolarHBondContact O-N 2.9Å; C333-C336 WeakPolarHBondContact O-CA 3.45Å; C333-C336 WeakPolarHBondContact O-CB 3.44Å; C333-C336 PolarHBondContact O-N 3.25Å; C333-C336 VanDerWaalsContact O-N 3.13Å; C333-I337 WeakPolarHBondContact O-CG1 3.36Å; C333-I337 PolarHBondContact O-N 3.34Å; C333-V369 HydrophobicContact CB-CG1 4.1Å; C333-V369 HydrophobicContact CB-CG2 4.3Å
334D53.3Low49.9Very low87 Ų8766 Ų6647%0.46535%0.352SS..Hα-helixtrans-64-39.2175.2-77.4-19.3000112.6L330 C336 I337 S338L330-D334 PolarHBondContact O-N 3.32Å; D334-C336 VanDerWaalsContact C-N 3.34Å; D334-I337 PolarHBondContact O-N 2.83Å; D334-S338 WeakPolarHBondContact O-CB 3.06Å; D334-S338 PolarHBondContact O-N 2.85Å; D334-S338 PolarHBondContact O-OG 2.86Å
335C57.4Low50.1Low76 Ų7661.1 Ų61.151%0.51436%0.356SS..Hα-helixtrans-64.3-39.2171.5-76.80000111.6R331 L332 C333 S338 L339R331-C335 WeakPolarHBondContact O-CB 3.09Å; R331-C335 PolarHBondContact O-N 3.37Å; R331-C335 PolarHBondContact O-SG 3.4Å; L332-C335 CarbonylContact O-C 3.6Å; L332-C335 WeakPolarHBondContact O-CB 3.41Å; L332-C335 PolarHBondContact O-N 3.21Å; C333-C335 PolarHBondContact O-N 2.9Å; C335-S338 PolarHBondContact O-N 3.3Å; C335-L339 WeakPolarHBondContact O-CB 3.3Å; C335-L339 VanDerWaalsContact O-CG 3.29Å; C335-L339 WeakPolarHBondContact O-CG 3.33Å; C335-L339 PolarHBondContact O-N 3.5Å
336C53.5Low49.8Very low7 Ų765.4 Ų65.45%0.04737%0.365CS..Hα-helixtrans-62.1-49.8174.7-67.30000110.1V11 L332 C333 D334 S338 L339 F340V11-C336 VanDerWaalsContact CG1-SG 3.53Å; L332-C336 WeakPolarHBondContact O-CB 3.46Å; L332-C336 PolarHBondContact O-N 3.23Å; L332-C336 PolarHBondContact O-SG 3.23Å; C333-C336 WeakPolarHBondContact O-CA 3.45Å; C333-C336 WeakPolarHBondContact O-CB 3.44Å; C333-C336 PolarHBondContact O-N 3.25Å; C333-C336 VanDerWaalsContact O-N 3.13Å; D334-C336 VanDerWaalsContact C-N 3.34Å; C336-S338 VanDerWaalsContact C-N 3.26Å; C336-S338 PolarHBondContact O-N 3.44Å; C336-L339 WeakPolarHBondContact O-CB 3.34Å; C336-L339 PolarHBondContact O-N 2.81Å; C336-L339 VanDerWaalsContact O-N 3.08Å; C336-F340 VanDerWaalsContact C-CD2 3.45Å; C336-F340 HydrophobicContact CB-CD2 4.33Å; C336-F340 HydrophobicContact CB-CE2 4.07Å; C336-F340 WeakPolarHBondContact O-CD2 3.5Å; C336-F340 WeakPolarHBondContact O-CG 3.43Å; C336-F340 PolarHBondContact O-N 2.95Å
337I55.4Low49.7Very low21 Ų2165 Ų6511%0.10838%0.382CS..Hα-helixtrans-54.7-44.1175.1-67.4162.2000110.6C333 D334 L339 F340 A341 V348 V369 T373C333-I337 WeakPolarHBondContact O-CG1 3.36Å; C333-I337 PolarHBondContact O-N 3.34Å; D334-I337 PolarHBondContact O-N 2.83Å; I337-L339 PolarHBondContact O-N 3.35Å; I337-F340 WeakPolarHBondContact O-CB 3.27Å; I337-F340 PolarHBondContact O-N 3.06Å; I337-A341 PolarHBondContact O-N 3.11Å; I337-V348 HydrophobicContact CG2-CB 4.44Å; I337-V369 HydrophobicContact CD1-CG1 3.52Å; I337-V369 HydrophobicContact CG1-CG1 3.52Å; I337-T373 HydrophobicContact CD1-CG2 3.8Å
338S56.2Low49.9Very low80 Ų8061.7 Ų61.756%0.55937%0.369SS*.Hα-helixtrans-66-36.6178.1-58.60000112.9D334 C335 C336 A341 G342D334-S338 WeakPolarHBondContact O-CB 3.06Å; D334-S338 PolarHBondContact O-N 2.85Å; D334-S338 PolarHBondContact O-OG 2.86Å; C335-S338 PolarHBondContact O-N 3.3Å; C336-S338 VanDerWaalsContact C-N 3.26Å; C336-S338 PolarHBondContact O-N 3.44Å; S338-A341 WeakPolarHBondContact O-CB 3.36Å; S338-A341 PolarHBondContact O-N 3.21Å; S338-G342 PolarHBondContact O-N 3.48Å
339L54.8Low50.4Low63 Ų6360.1 Ų60.133%0.3336%0.364SS..Hα-helixtrans-70-37.6173.8-75.3167.9000111.9V11 C335 C336 I337 A341 G342 K343V11-L339 HydrophobicContact CG2-CD1 3.96Å; C335-L339 WeakPolarHBondContact O-CB 3.3Å; C335-L339 VanDerWaalsContact O-CG 3.29Å; C335-L339 WeakPolarHBondContact O-CG 3.33Å; C335-L339 PolarHBondContact O-N 3.5Å; C336-L339 WeakPolarHBondContact O-CB 3.34Å; C336-L339 PolarHBondContact O-N 2.81Å; C336-L339 VanDerWaalsContact O-N 3.08Å; I337-L339 PolarHBondContact O-N 3.35Å; L339-A341 VanDerWaalsContact C-N 3.33Å; L339-G342 PolarHBondContact O-N 3.16Å; L339-K343 PolarHBondContact O-N 3.1Å
340F50.9Low51.1Low12 Ų1258.3 Ų58.35%0.05336%0.359CS..Hα-helixtrans-62.5-40.9171-72.8-67.8000110.9L8 C336 I337 G342 K343 V348 F358 M366L8-F340 HydrophobicContact CD1-CD1 3.66Å; L8-F340 HydrophobicContact CD1-CE1 3.55Å; L8-F340 HydrophobicContact CD1-CG 4.32Å; L8-F340 HydrophobicContact CD1-CZ 4.09Å; L8-F340 HydrophobicContact CD2-CD1 4.49Å; L8-F340 HydrophobicContact CD2-CE1 3.64Å; L8-F340 HydrophobicContact CD2-CZ 4.09Å; L8-F340 HydrophobicContact CG-CE1 4Å; L8-F340 HydrophobicContact CG-CZ 4.28Å; C336-F340 VanDerWaalsContact C-CD2 3.45Å; C336-F340 HydrophobicContact CB-CD2 4.33Å; C336-F340 HydrophobicContact CB-CE2 4.07Å; C336-F340 WeakPolarHBondContact O-CD2 3.5Å; C336-F340 WeakPolarHBondContact O-CG 3.43Å; C336-F340 PolarHBondContact O-N 2.95Å; I337-F340 WeakPolarHBondContact O-CB 3.27Å; I337-F340 PolarHBondContact O-N 3.06Å; F340-G342 VanDerWaalsContact C-N 3.31Å; F340-G342 PolarHBondContact O-N 2.94Å; F340-K343 PolarHBondContact O-N 3.23Å; F340-V348 HydrophobicContact CB-CG2 4.43Å; F340-F358 HydrophobicContact CD1-CE1 4.06Å; F340-F358 HydrophobicContact CE1-CD1 4.49Å; F340-F358 HydrophobicContact CE1-CE1 4.12Å; F340-M366 HydrophobicContact CD1-CE 4.27Å; F340-M366 HydrophobicContact CD1-CG 4.33Å; F340-M366 HydrophobicContact CD1-SD 3.9Å; F340-M366 HydrophobicContact CD2-CG 4.31Å; F340-M366 HydrophobicContact CE1-CE 4.49Å; F340-M366 HydrophobicContact CE1-CG 3.77Å; F340-M366 HydrophobicContact CE1-SD 3.56Å; F340-M366 VanDerWaalsContact CE1-SD 3.56Å; F340-M366 HydrophobicContact CE2-CG 3.81Å; F340-M366 HydrophobicContact CZ-CG 3.53Å; F340-M366 HydrophobicContact CZ-SD 4Å
341A51.4Low51.6Low22 Ų2260.2 Ų60.218%0.18238%0.376CS..Hα-helixtrans-59.7-39.3173.500000112.8I337 S338 L339 K343 T344 G345 V348I337-A341 PolarHBondContact O-N 3.11Å; S338-A341 WeakPolarHBondContact O-CB 3.36Å; S338-A341 PolarHBondContact O-N 3.21Å; L339-A341 VanDerWaalsContact C-N 3.33Å; A341-K343 VanDerWaalsContact C-N 3.27Å; A341-K343 PolarHBondContact O-N 2.76Å; A341-T344 PolarHBondContact O-N 3.25Å; A341-T344 PolarHBondContact O-OG1 2.69Å; A341-G345 PolarHBondContact O-N 2.98Å; A341-V348 HydrophobicContact CB-CG2 3.53Å
342G50Low52Low58 Ų5856.2 Ų56.260%0.59838%0.377SS*.Hα-helixtrans-65.8-2417900000114.5S338 L339 F340S338-G342 PolarHBondContact O-N 3.48Å; L339-G342 PolarHBondContact O-N 3.16Å; F340-G342 VanDerWaalsContact C-N 3.31Å; F340-G342 PolarHBondContact O-N 2.94Å
343K43.8Very low52.8Low89 Ų8955.1 Ų55.139%0.38737%0.372SS..Hα-helixtrans-77-34.9173.5-96.2-172.7175.3-175.30112.8L8 L339 F340 A341L8-K343 HydrophobicContact CD1-CD 4.38Å; L339-K343 PolarHBondContact O-N 3.1Å; F340-K343 PolarHBondContact O-N 3.23Å; A341-K343 VanDerWaalsContact C-N 3.27Å; A341-K343 PolarHBondContact O-N 2.76Å
344T45.7Very low53.9Low68 Ų6858.6 Ų58.642%0.41739%0.39SS..Hα-helixtrans-95.1-12.5-174.356.10000113.6A341 M346A341-T344 PolarHBondContact O-N 3.25Å; A341-T344 PolarHBondContact O-OG1 2.69Å; T344-M346 PolarHBondContact O-N 2.91Å
345G42.1Very low55.2Low70 Ų7054.9 Ų54.972%0.72237%0.37SS*.THydrogen-bonded Turntrans72.410.1178.600000114.4A341A341-G345 PolarHBondContact O-N 2.98Å
346M36.1Very low56.3Low136 Ų13658.5 Ų58.567%0.6738%0.38SS*.SBendtrans-134.1150.6177.9-68.8-115.1-73.400109.9T344 V348T344-M346 PolarHBondContact O-N 2.91Å; M346-V348 PolarHBondContact O-N 2.99Å
347A43.3Very low57.5Low91 Ų9163.7 Ų63.775%0.75241%0.407SS*.  trans-52.4127.1165.100000108.1S349A347-S349 VanDerWaalsContact C-N 3.32Å; A347-S349 PolarHBondContact O-N 3.39Å
348V51.6Low58.7Low30 Ų3063.6 Ų63.618%0.18241%0.406CS..  trans-63.891.3-172179.60000109.2I337 F340 A341 M346 I353 F370I337-V348 HydrophobicContact CG2-CB 4.44Å; F340-V348 HydrophobicContact CB-CG2 4.43Å; A341-V348 HydrophobicContact CB-CG2 3.53Å; M346-V348 PolarHBondContact O-N 2.99Å; V348-I353 HydrophobicContact CG1-CD1 4Å; V348-I353 HydrophobicContact CG1-CG1 4.41Å; V348-F370 HydrophobicContact CG1-CE1 4.26Å; V348-F370 HydrophobicContact CG1-CZ 4.18Å
349S56.4Low59.9Low56 Ų5662 Ų6239%0.39239%0.393SS..  trans-79.9128.3154.462.10000106.7A347 S351 G352A347-S349 VanDerWaalsContact C-N 3.32Å; A347-S349 PolarHBondContact O-N 3.39Å; S349-S351 PolarHBondContact O-N 2.91Å; S349-S351 PolarHBondContact OG-OG 3.26Å; S349-S351 VanDerWaalsContact OG-OG 3.09Å; S349-G352 PolarHBondContact O-N 3.4Å
350I61.9Low61.4Low22 Ų2259 Ų5911%0.11338%0.377CS..G310 helixtrans-48.4-31.2178.4-69166.3000111.8G352 I353 F370 Q375 L376 F387I350-G352 VanDerWaalsContact C-N 3.26Å; I350-G352 PolarHBondContact O-N 3.42Å; I350-I353 PolarHBondContact O-N 3.4Å; I350-F370 HydrophobicContact CG1-CE1 4.5Å; I350-F370 HydrophobicContact CG1-CE2 4.49Å; I350-Q375 HydrophobicContact CD1-CB 3.78Å; I350-Q375 WeakPolarHBondContact CD1-O 3.47Å; I350-L376 HydrophobicContact CD1-CD2 4.06Å; I350-L376 HydrophobicContact CD1-CG 4.32Å; I350-F387 HydrophobicContact CG2-CB 3.47Å; I350-F387 VanDerWaalsContact CG2-CB 3.47Å; I350-F387 HydrophobicContact CG2-CD1 4.4Å; I350-F387 HydrophobicContact CG2-CG 4.02Å
351S60.2Low62.6Low89 Ų8960.4 Ų60.462%0.62238%0.383SS*.G310 helixtrans-64.9-16.6176.756.30000116.1S349S349-S351 PolarHBondContact O-N 2.91Å; S349-S351 PolarHBondContact OG-OG 3.26Å; S349-S351 VanDerWaalsContact OG-OG 3.09Å
352G63.7Low63.8Low53 Ų5360.7 Ų60.755%0.54638%0.381SS..G310 helixtrans-94.8-1-178.500000114.6S349 I350 N354S349-G352 PolarHBondContact O-N 3.4Å; I350-G352 VanDerWaalsContact C-N 3.26Å; I350-G352 PolarHBondContact O-N 3.42Å; G352-N354 PolarHBondContact O-N 2.91Å
353I68.9Low65.3Low23 Ų2358 Ų5812%0.11835%0.353CS..  trans-87.7111.6-174.4-58.5165.4000109V348 I350 V355 F358 M366 F370 F387V348-I353 HydrophobicContact CG1-CD1 4Å; V348-I353 HydrophobicContact CG1-CG1 4.41Å; I350-I353 PolarHBondContact O-N 3.4Å; I353-V355 PolarHBondContact O-N 3.22Å; I353-F358 HydrophobicContact CG2-CD2 4.22Å; I353-F358 HydrophobicContact CG2-CE2 3.89Å; I353-M366 HydrophobicContact CD1-CE 3.68Å; I353-M366 HydrophobicContact CG1-CE 4.24Å; I353-M366 HydrophobicContact CG2-CE 3.82Å; I353-F370 HydrophobicContact CD1-CE2 3.59Å; I353-F370 HydrophobicContact CD1-CZ 3.43Å; I353-F370 VanDerWaalsContact CD1-CZ 3.43Å; I353-F387 HydrophobicContact CB-CD2 4.3Å; I353-F387 HydrophobicContact CG2-CD2 4.17Å; I353-F387 HydrophobicContact CG2-CE2 3.99Å
354N75.7Confident67Low78 Ų7853.9 Ų53.942%0.41734%0.335SS..  trans-80.1112168.1-175.58.9000109.6G352 E356 D357 F358G352-N354 PolarHBondContact O-N 2.91Å; N354-E356 PolarHBondContact O-N 3.31Å; N354-E356 PolarHBondContact OD1-N 3.18Å; N354-D357 PolarHBondContact O-N 3.37Å; N354-F358 VanDerWaalsContact O-CD2 3.3Å; N354-F358 WeakPolarHBondContact O-CD2 3.33Å
355V80.3Confident68.2Low8 Ų852.6 Ų52.65%0.04833%0.325CS..G310 helixtrans-59.9-27.7-1781780000112.2I353 D357 F358 L363 F387 E390 R394I353-V355 PolarHBondContact O-N 3.22Å; V355-D357 PolarHBondContact O-N 2.64Å; V355-F358 PolarHBondContact O-N 2.71Å; V355-L363 HydrophobicContact CB-CD2 4.37Å; V355-L363 HydrophobicContact CG1-CD1 3.47Å; V355-L363 VanDerWaalsContact CG1-CD1 3.47Å; V355-L363 HydrophobicContact CG1-CD2 3.91Å; V355-L363 HydrophobicContact CG1-CG 4.34Å; V355-L363 HydrophobicContact CG2-CD2 4.43Å; V355-F387 HydrophobicContact CG2-CD2 4.01Å; V355-F387 HydrophobicContact CG2-CE2 4.18Å; V355-E390 HydrophobicContact CB-CB 4.33Å; V355-E390 HydrophobicContact CG2-CB 3.76Å; V355-R394 HydrophobicContact CG1-CB 3.75Å; V355-R394 HydrophobicContact CG1-CG 4.01Å
356E80.9Confident69.7Low153 Ų15349.4 Ų49.472%0.71529%0.292SS*.G310 helixtrans-69.6-19-179-62.3-168.5158.800113.9N354 F358N354-E356 PolarHBondContact O-N 3.31Å; N354-E356 PolarHBondContact OD1-N 3.18Å; E356-F358 VanDerWaalsContact C-N 3.26Å; E356-F358 PolarHBondContact O-N 3.07Å
357D78.5Confident71.6Confident116 Ų11643.6 Ų43.662%0.6226%0.262SS*.G310 helixtrans-82.3-4.2-179.2-64.7-27.9000113.1N354 V355N354-D357 PolarHBondContact O-N 3.37Å; V355-D357 PolarHBondContact O-N 2.64Å
358F79.5Confident72.9Confident18 Ų1839.9 Ų39.98%0.07923%0.23CC..SBendtrans-129.2146.9-172.2-58.5-84.3000112.2F340 I353 N354 V355 E356 Q362 L363 M366F340-F358 HydrophobicContact CD1-CE1 4.06Å; F340-F358 HydrophobicContact CE1-CD1 4.49Å; F340-F358 HydrophobicContact CE1-CE1 4.12Å; I353-F358 HydrophobicContact CG2-CD2 4.22Å; I353-F358 HydrophobicContact CG2-CE2 3.89Å; N354-F358 VanDerWaalsContact O-CD2 3.3Å; N354-F358 WeakPolarHBondContact O-CD2 3.33Å; V355-F358 PolarHBondContact O-N 2.71Å; E356-F358 VanDerWaalsContact C-N 3.26Å; E356-F358 PolarHBondContact O-N 3.07Å; F358-Q362 HydrophobicContact CB-CB 4.18Å; F358-Q362 HydrophobicContact CD1-CB 4.48Å; F358-L363 HydrophobicContact CB-CD1 4.47Å; F358-L363 HydrophobicContact CB-CD2 3.86Å; F358-L363 HydrophobicContact CB-CG 3.83Å; F358-L363 HydrophobicContact CG-CD2 4.49Å; F358-M366 HydrophobicContact CD1-SD 4.12Å; F358-M366 HydrophobicContact CE1-SD 4.24Å; F358-M366 HydrophobicContact CG-SD 4.31Å
359T82.9Confident73.6Confident48 Ų4838.7 Ų38.729%0.29422%0.223SC..  trans-75.3158.4175.366.50000111.2E225 K361 Q362 L363E225-T359 VanDerWaalsContact OE1-CA 3.3Å; E225-T359 WeakPolarHBondContact OE1-CA 3.43Å; E225-T359 WeakPolarHBondContact OE1-CB 3.28Å; E225-T359 WeakPolarHBondContact OE1-CG2 3.43Å; T359-K361 PolarHBondContact O-N 2.98Å; T359-Q362 WeakPolarHBondContact O-CB 3.45Å; T359-Q362 PolarHBondContact O-N 3Å; T359-Q362 WeakPolarHBondContact OG1-CG 3.3Å; T359-Q362 PolarHBondContact OG1-N 3.04Å; T359-L363 WeakPolarHBondContact O-CG 3.4Å; T359-L363 PolarHBondContact O-N 3.48Å
360I85Confident74.4Confident0 Ų036.2 Ų36.20%021%0.205CC..Hα-helixtrans-52.5-42.5174.8-70.9-68000111.9E225 Y227 Q362 L363 T364 F391 R394 A395 T398 L403E225-I360 HydrophobicContact CB-CB 4.36Å; E225-I360 HydrophobicContact CB-CG1 4.06Å; E225-I360 WeakPolarHBondContact OE2-CG1 3.46Å; E225-I360 PolarHBondContact OE2-N 3.44Å; Y227-I360 HydrophobicContact CD2-CB 4.39Å; Y227-I360 HydrophobicContact CD2-CG2 3.84Å; Y227-I360 HydrophobicContact CE2-CB 3.88Å; Y227-I360 HydrophobicContact CE2-CG2 3.77Å; I360-Q362 VanDerWaalsContact C-N 3.33Å; I360-Q362 PolarHBondContact O-N 2.87Å; I360-L363 PolarHBondContact O-N 3.34Å; I360-T364 WeakPolarHBondContact O-CB 3.3Å; I360-T364 PolarHBondContact O-N 3.4Å; I360-T364 PolarHBondContact O-OG1 3.26Å; I360-F391 HydrophobicContact CD1-CD2 4.5Å; I360-F391 HydrophobicContact CD1-CE2 3.96Å; I360-R394 HydrophobicContact CD1-CG 3.87Å; I360-A395 HydrophobicContact CD1-CB 4.1Å; I360-T398 HydrophobicContact CG1-CG2 4.32Å; I360-L403 HydrophobicContact CG2-CD2 4.05Å
361K76.4Confident74.7Confident40 Ų4036.2 Ų36.217%0.17421%0.205CC..Hα-helixtrans-56-46.1175.4-72.4-174.7-172.6-149.20112.4E191 Y227 D264 S268 T359 L365E191-K361 IonicContact OE1-NZ 3.69Å; Y227-K361 HydrophobicContact CE2-CG 3.94Å; Y227-K361 VanDerWaalsContact OH-CE 3.27Å; Y227-K361 WeakPolarHBondContact OH-CE 3.45Å; Y227-K361 WeakPolarHBondContact OH-CG 3.27Å; D264-K361 VanDerWaalsContact CG-NZ 3.3Å; D264-K361 IonicContact OD1-NZ 2.98Å; D264-K361 PolarHBondContact OD1-NZ 3.26Å; D264-K361 VanDerWaalsContact OD1-NZ 3.07Å; D264-K361 IonicContact OD2-NZ 3.52Å; D264-K361 PolarHBondContact OD2-NZ 3.12Å; S268-K361 WeakPolarHBondContact OG-CD 3.43Å; S268-K361 WeakPolarHBondContact OG-CE 3.49Å; S268-K361 WeakPolarHBondContact OG-CG 3.44Å; S268-K361 PolarHBondContact OG-NZ 3.26Å; T359-K361 PolarHBondContact O-N 2.98Å; K361-L365 PolarHBondContact O-N 3.12Å
362Q76.2Confident74.9Confident29 Ų2933.4 Ų33.414%0.13619%0.187CC..Hα-helixtrans-67.5-41.5180-71.9169.4-9.700111.3L8 N12 F358 T359 I360 L365 M366L8-Q362 HydrophobicContact CD2-CG 4.35Å; N12-Q362 PolarHBondContact ND2-NE2 2.95Å; F358-Q362 HydrophobicContact CB-CB 4.18Å; F358-Q362 HydrophobicContact CD1-CB 4.48Å; T359-Q362 WeakPolarHBondContact O-CB 3.45Å; T359-Q362 PolarHBondContact O-N 3Å; T359-Q362 WeakPolarHBondContact OG1-CG 3.3Å; T359-Q362 PolarHBondContact OG1-N 3.04Å; I360-Q362 VanDerWaalsContact C-N 3.33Å; I360-Q362 PolarHBondContact O-N 2.87Å; Q362-L365 PolarHBondContact O-N 3.46Å; Q362-M366 WeakPolarHBondContact O-CB 3.34Å; Q362-M366 VanDerWaalsContact O-CG 3.25Å; Q362-M366 WeakPolarHBondContact O-CG 3.49Å; Q362-M366 PolarHBondContact O-N 3.28Å
363L82Confident74.9Confident0 Ų033 Ų330%018%0.175CC..Hα-helixtrans-66-42.2178-68.6164.6000111.8V355 F358 T359 I360 L365 M366 Y367 F387 F391 R394V355-L363 HydrophobicContact CB-CD2 4.37Å; V355-L363 HydrophobicContact CG1-CD1 3.47Å; V355-L363 VanDerWaalsContact CG1-CD1 3.47Å; V355-L363 HydrophobicContact CG1-CD2 3.91Å; V355-L363 HydrophobicContact CG1-CG 4.34Å; V355-L363 HydrophobicContact CG2-CD2 4.43Å; F358-L363 HydrophobicContact CB-CD1 4.47Å; F358-L363 HydrophobicContact CB-CD2 3.86Å; F358-L363 HydrophobicContact CB-CG 3.83Å; F358-L363 HydrophobicContact CG-CD2 4.49Å; T359-L363 WeakPolarHBondContact O-CG 3.4Å; T359-L363 PolarHBondContact O-N 3.48Å; I360-L363 PolarHBondContact O-N 3.34Å; L363-L365 VanDerWaalsContact C-N 3.32Å; L363-L365 PolarHBondContact O-N 3.08Å; L363-M366 PolarHBondContact O-N 3.12Å; L363-Y367 WeakPolarHBondContact O-CB 3.27Å; L363-Y367 PolarHBondContact O-N 3.41Å; L363-F387 HydrophobicContact CD2-CE2 3.99Å; L363-F387 HydrophobicContact CD2-CZ 4.33Å; L363-F391 HydrophobicContact CB-CD2 3.63Å; L363-F391 HydrophobicContact CB-CE1 4.34Å; L363-F391 HydrophobicContact CB-CE2 3.32Å; L363-F391 HydrophobicContact CB-CG 4.3Å; L363-F391 HydrophobicContact CB-CZ 3.72Å; L363-F391 HydrophobicContact CD1-CD2 3.83Å; L363-F391 HydrophobicContact CD1-CE2 4.03Å; L363-F391 HydrophobicContact CG-CD2 4.25Å; L363-F391 HydrophobicContact CG-CE2 4.3Å; L363-R394 HydrophobicContact CD1-CG 4.23Å
364T79.2Confident74.8Confident4 Ų434.2 Ų34.23%0.02519%0.193CC..Hα-helixtrans-59.1-45.4173.4-57.10000110.5S268 N270 I360 Y367 N368S268-T364 WeakPolarHBondContact O-CB 3.47Å; S268-T364 PolarHBondContact O-OG1 2.97Å; N270-T364 HydrophobicContact CB-CG2 3.6Å; I360-T364 WeakPolarHBondContact O-CB 3.3Å; I360-T364 PolarHBondContact O-N 3.4Å; I360-T364 PolarHBondContact O-OG1 3.26Å; T364-Y367 PolarHBondContact O-N 3.21Å; T364-N368 WeakPolarHBondContact O-CB 3.46Å; T364-N368 PolarHBondContact O-N 2.93Å; T364-N368 PolarHBondContact O-ND2 3.27Å; T364-N368 PolarHBondContact O-OD1 3.37Å
365L70.9Confident74.3Confident40 Ų4034.1 Ų34.121%0.20919%0.19CC..Hα-helixtrans-62-47.4176.5-178.766.8000111.7L15 K361 Q362 L363 Y367 N368 V369L15-L365 HydrophobicContact CD1-CD1 4.07Å; L15-L365 HydrophobicContact CD1-CD2 3.71Å; K361-L365 PolarHBondContact O-N 3.12Å; Q362-L365 PolarHBondContact O-N 3.46Å; L363-L365 VanDerWaalsContact C-N 3.32Å; L363-L365 PolarHBondContact O-N 3.08Å; L365-Y367 VanDerWaalsContact C-N 3.35Å; L365-Y367 PolarHBondContact O-N 2.84Å; L365-N368 PolarHBondContact O-N 3.49Å; L365-V369 VanDerWaalsContact O-CG2 3.3Å; L365-V369 WeakPolarHBondContact O-CG2 3.05Å; L365-V369 PolarHBondContact O-N 3.25Å
366M73.3Confident73.8Confident3 Ų334 Ų342%0.01519%0.188CC..Hα-helixtrans-60.7-45.1177.7-72.9174.567.900111.5F340 I353 F358 Q362 L363 N368 V369 F370F340-M366 HydrophobicContact CD1-CE 4.27Å; F340-M366 HydrophobicContact CD1-CG 4.33Å; F340-M366 HydrophobicContact CD1-SD 3.9Å; F340-M366 HydrophobicContact CD2-CG 4.31Å; F340-M366 HydrophobicContact CE1-CE 4.49Å; F340-M366 HydrophobicContact CE1-CG 3.77Å; F340-M366 HydrophobicContact CE1-SD 3.56Å; F340-M366 VanDerWaalsContact CE1-SD 3.56Å; F340-M366 HydrophobicContact CE2-CG 3.81Å; F340-M366 HydrophobicContact CZ-CG 3.53Å; F340-M366 HydrophobicContact CZ-SD 4Å; I353-M366 HydrophobicContact CD1-CE 3.68Å; I353-M366 HydrophobicContact CG1-CE 4.24Å; I353-M366 HydrophobicContact CG2-CE 3.82Å; F358-M366 HydrophobicContact CD1-SD 4.12Å; F358-M366 HydrophobicContact CE1-SD 4.24Å; F358-M366 HydrophobicContact CG-SD 4.31Å; Q362-M366 WeakPolarHBondContact O-CB 3.34Å; Q362-M366 VanDerWaalsContact O-CG 3.25Å; Q362-M366 WeakPolarHBondContact O-CG 3.49Å; Q362-M366 PolarHBondContact O-N 3.28Å; L363-M366 PolarHBondContact O-N 3.12Å; M366-N368 VanDerWaalsContact C-N 3.34Å; M366-N368 PolarHBondContact O-N 2.9Å; M366-V369 PolarHBondContact O-N 3.39Å; M366-F370 HydrophobicContact CB-CE2 4.06Å; M366-F370 HydrophobicContact CB-CZ 4.5Å; M366-F370 HydrophobicContact CE-CE2 4.1Å; M366-F370 HydrophobicContact CE-CZ 3.99Å; M366-F370 WeakPolarHBondContact O-CD2 3.46Å; M366-F370 VanDerWaalsContact O-CG 3.24Å; M366-F370 WeakPolarHBondContact O-CG 3.32Å; M366-F370 PolarHBondContact O-N 3.25Å
367Y77.1Confident72.8Confident14 Ų1432.4 Ų32.46%0.05518%0.181CC..Hα-helixtrans-58-46.8176.3179.4-100.2000111.2L363 T364 L365 V369 F370 L371 L376 F387 F391 I407 H411L363-Y367 WeakPolarHBondContact O-CB 3.27Å; L363-Y367 PolarHBondContact O-N 3.41Å; T364-Y367 PolarHBondContact O-N 3.21Å; L365-Y367 VanDerWaalsContact C-N 3.35Å; L365-Y367 PolarHBondContact O-N 2.84Å; Y367-V369 VanDerWaalsContact C-N 3.33Å; Y367-V369 PolarHBondContact O-N 3.49Å; Y367-F370 PolarHBondContact O-N 3.45Å; Y367-L371 HydrophobicContact CD1-CD1 3.83Å; Y367-L371 HydrophobicContact CD1-CG 4.44Å; Y367-L371 HydrophobicContact CE1-CD1 3.31Å; Y367-L371 HydrophobicContact CE1-CG 4.11Å; Y367-L371 WeakPolarHBondContact O-CG 3.21Å; Y367-L371 PolarHBondContact O-N 3.08Å; Y367-L376 HydrophobicContact CD2-CD1 3.79Å; Y367-L376 HydrophobicContact CE2-CD1 3.85Å; Y367-F387 HydrophobicContact CD2-CE1 4.11Å; Y367-F391 HydrophobicContact CD2-CD1 4.19Å; Y367-F391 HydrophobicContact CD2-CE1 4.38Å; Y367-F391 HydrophobicContact CG-CD1 4.24Å; Y367-F391 AromaticContact CG-CE1 3.98Å; Y367-F391 HydrophobicContact CG-CE1 3.98Å; Y367-I407 HydrophobicContact CE1-CG1 4.32Å; Y367-I407 HydrophobicContact CE2-CG2 4.1Å; Y367-H411 AromaticContact CE2-NE2 3.78Å
368N70Confident71.8Confident14 Ų1432.5 Ų32.58%0.07518%0.177CC..Hα-helixtrans-61.3-41.4176.3-67.2-10.5000112N270 T364 L365 M366 L371 A372N270-N368 PolarHBondContact ND2-ND2 2.92Å; N270-N368 PolarHBondContact ND2-OD1 3.04Å; T364-N368 WeakPolarHBondContact O-CB 3.46Å; T364-N368 PolarHBondContact O-N 2.93Å; T364-N368 PolarHBondContact O-ND2 3.27Å; T364-N368 PolarHBondContact O-OD1 3.37Å; L365-N368 PolarHBondContact O-N 3.49Å; M366-N368 VanDerWaalsContact C-N 3.34Å; M366-N368 PolarHBondContact O-N 2.9Å; N368-L371 PolarHBondContact O-N 2.88Å; N368-A372 WeakPolarHBondContact O-CB 3.34Å; N368-A372 PolarHBondContact O-N 3.47Å
369V67.2Low70.5Confident4 Ų432.6 Ų32.62%0.02418%0.184CC..Hα-helixtrans-65.1-41.3176.7169.10000111.5C333 I337 L365 M366 Y367 A372 T373C333-V369 HydrophobicContact CB-CG1 4.1Å; C333-V369 HydrophobicContact CB-CG2 4.3Å; I337-V369 HydrophobicContact CD1-CG1 3.52Å; I337-V369 HydrophobicContact CG1-CG1 3.52Å; L365-V369 VanDerWaalsContact O-CG2 3.3Å; L365-V369 WeakPolarHBondContact O-CG2 3.05Å; L365-V369 PolarHBondContact O-N 3.25Å; M366-V369 PolarHBondContact O-N 3.39Å; Y367-V369 VanDerWaalsContact C-N 3.33Å; Y367-V369 PolarHBondContact O-N 3.49Å; V369-A372 PolarHBondContact O-N 3.31Å; V369-T373 HydrophobicContact CG1-CG2 4.49Å; V369-T373 WeakPolarHBondContact O-CB 3.26Å; V369-T373 WeakPolarHBondContact O-CG2 3.49Å; V369-T373 PolarHBondContact O-N 3.45Å; V369-T373 PolarHBondContact O-OG1 2.77Å
370F72.6Confident68.8Low4 Ų435.4 Ų35.42%0.01819%0.193CC..Hα-helixtrans-68.3-34177.5-63.3-37.6000113V348 I350 I353 M366 Y367 T373 G374 Q375 L376 F387V348-F370 HydrophobicContact CG1-CE1 4.26Å; V348-F370 HydrophobicContact CG1-CZ 4.18Å; I350-F370 HydrophobicContact CG1-CE1 4.5Å; I350-F370 HydrophobicContact CG1-CE2 4.49Å; I353-F370 HydrophobicContact CD1-CE2 3.59Å; I353-F370 HydrophobicContact CD1-CZ 3.43Å; I353-F370 VanDerWaalsContact CD1-CZ 3.43Å; M366-F370 HydrophobicContact CB-CE2 4.06Å; M366-F370 HydrophobicContact CB-CZ 4.5Å; M366-F370 HydrophobicContact CE-CE2 4.1Å; M366-F370 HydrophobicContact CE-CZ 3.99Å; M366-F370 WeakPolarHBondContact O-CD2 3.46Å; M366-F370 VanDerWaalsContact O-CG 3.24Å; M366-F370 WeakPolarHBondContact O-CG 3.32Å; M366-F370 PolarHBondContact O-N 3.25Å; Y367-F370 PolarHBondContact O-N 3.45Å; F370-T373 PolarHBondContact O-OG1 3.39Å; F370-G374 PolarHBondContact O-N 3.45Å; F370-Q375 HydrophobicContact CB-CB 4.48Å; F370-Q375 PolarHBondContact O-N 2.92Å; F370-L376 HydrophobicContact CB-CD1 3.54Å; F370-L376 HydrophobicContact CB-CG 3.75Å; F370-L376 HydrophobicContact CD2-CD1 4.48Å; F370-L376 HydrophobicContact CG-CD1 4.5Å; F370-L376 PolarHBondContact O-N 3.34Å; F370-F387 HydrophobicContact CD2-CD1 4.43Å; F370-F387 AromaticContact CD2-CE1 3.96Å; F370-F387 HydrophobicContact CD2-CE1 3.96Å; F370-F387 HydrophobicContact CD2-CZ 4.36Å; F370-F387 HydrophobicContact CE2-CE1 4.16Å; F370-F387 HydrophobicContact CE2-CZ 4.14Å
371L69Low67Low23 Ų2341.6 Ų41.612%0.1223%0.227CC..Hα-helixtrans-65-49.6170.3-72177000111.2F309 Y367 N368 T373 G374 L376 Y410F309-L371 HydrophobicContact CD2-CD1 4.46Å; Y367-L371 HydrophobicContact CD1-CD1 3.83Å; Y367-L371 HydrophobicContact CD1-CG 4.44Å; Y367-L371 HydrophobicContact CE1-CD1 3.31Å; Y367-L371 HydrophobicContact CE1-CG 4.11Å; Y367-L371 WeakPolarHBondContact O-CG 3.21Å; Y367-L371 PolarHBondContact O-N 3.08Å; N368-L371 PolarHBondContact O-N 2.88Å; L371-T373 VanDerWaalsContact C-N 3.29Å; L371-T373 PolarHBondContact O-N 3.43Å; L371-G374 PolarHBondContact O-N 3.29Å; L371-L376 HydrophobicContact CD2-CB 4.04Å; L371-L376 HydrophobicContact CD2-CD1 4.26Å; L371-L376 HydrophobicContact CG-CD1 4.34Å; L371-Y410 HydrophobicContact CD2-CD1 4.11Å; L371-Y410 HydrophobicContact CD2-CE1 3.35Å
372A62.6Low65.6Low30 Ų3044.5 Ų44.525%0.24824%0.243CC..Hα-helixtrans-63.7-33.2-177.400000113.2F309 N368 V369 G374F309-A372 HydrophobicContact CZ-CB 4.42Å; N368-A372 WeakPolarHBondContact O-CB 3.34Å; N368-A372 PolarHBondContact O-N 3.47Å; V369-A372 PolarHBondContact O-N 3.31Å; A372-G374 VanDerWaalsContact C-N 3.31Å
373T64.9Low64.3Low45 Ų4543.8 Ų43.828%0.27624%0.241SC..THydrogen-bonded Turntrans-85.8-0.5177.353.40000113.6I337 V369 F370 L371 Q375I337-T373 HydrophobicContact CD1-CG2 3.8Å; V369-T373 HydrophobicContact CG1-CG2 4.49Å; V369-T373 WeakPolarHBondContact O-CB 3.26Å; V369-T373 WeakPolarHBondContact O-CG2 3.49Å; V369-T373 PolarHBondContact O-N 3.45Å; V369-T373 PolarHBondContact O-OG1 2.77Å; F370-T373 PolarHBondContact O-OG1 3.39Å; L371-T373 VanDerWaalsContact C-N 3.29Å; L371-T373 PolarHBondContact O-N 3.43Å; T373-Q375 PolarHBondContact O-N 2.92Å
374G65.9Low62.9Low48 Ų4847.8 Ų47.850%0.49526%0.259SS..THydrogen-bonded Turntrans68.413.7-178.800000114.4F370 L371 A372 L376F370-G374 PolarHBondContact O-N 3.45Å; L371-G374 PolarHBondContact O-N 3.29Å; A372-G374 VanDerWaalsContact C-N 3.31Å; G374-L376 VanDerWaalsContact C-N 3.26Å; G374-L376 PolarHBondContact O-N 3.43Å
375Q66.5Low61.7Low76 Ų7649.9 Ų49.936%0.35527%0.273SS..  trans-73.4-19.5177.6-65.6-166.6-11.400112.9I350 F370 T373I350-Q375 HydrophobicContact CD1-CB 3.78Å; I350-Q375 WeakPolarHBondContact CD1-O 3.47Å; F370-Q375 HydrophobicContact CB-CB 4.48Å; F370-Q375 PolarHBondContact O-N 2.92Å; T373-Q375 PolarHBondContact O-N 2.92Å
376L68.4Low61.6Low4 Ų453 Ų532%0.02129%0.29CS..SBendtrans-103.494.2170-71.5170.3000109.3I350 Y367 F370 L371 G374I350-L376 HydrophobicContact CD1-CD2 4.06Å; I350-L376 HydrophobicContact CD1-CG 4.32Å; Y367-L376 HydrophobicContact CD2-CD1 3.79Å; Y367-L376 HydrophobicContact CE2-CD1 3.85Å; F370-L376 HydrophobicContact CB-CD1 3.54Å; F370-L376 HydrophobicContact CB-CG 3.75Å; F370-L376 HydrophobicContact CD2-CD1 4.48Å; F370-L376 HydrophobicContact CG-CD1 4.5Å; F370-L376 PolarHBondContact O-N 3.34Å; L371-L376 HydrophobicContact CD2-CB 4.04Å; L371-L376 HydrophobicContact CD2-CD1 4.26Å; L371-L376 HydrophobicContact CG-CD1 4.34Å; G374-L376 VanDerWaalsContact C-N 3.26Å; G374-L376 PolarHBondContact O-N 3.43Å
377E60Low61.8Low120 Ų12053 Ų5356%0.56129%0.29SS*.  trans-69.1139.9172-66.8-176.2174.400110.8
378H58.6Low62Low118 Ų11852.5 Ų52.555%0.54629%0.288SS..  trans-97.8132.4172.951.4-80.8000109.1Y410H378-Y410 HydrophobicContact CB-CE1 4.1Å
379G52.6Low62.5Low21 Ų2152.1 Ų52.122%0.21629%0.286CS..  trans174.2151.1179.500000114.8D381 L382G379-D381 PolarHBondContact O-N 3.37Å; G379-L382 PolarHBondContact O-N 3.13Å
380H47.3Very low63.3Low106 Ų10655.2 Ų55.249%0.49130%0.3SS..THydrogen-bonded Turntrans-58.7-21.9-170-75.1-74.9000115K434H380-K434 WeakPolarHBondContact O-CE 3.27Å; H380-K434 PolarHBondContact O-NZ 2.75Å
381D47Very low64Low131 Ų13155 Ų5570%0.70130%0.299SS*.THydrogen-bonded Turntrans-122.14-175.2-71.8-33.2000115.3G379 K434G379-D381 PolarHBondContact O-N 3.37Å; D381-K434 IonicContact OD1-NZ 2.82Å; D381-K434 PolarHBondContact OD1-NZ 2.76Å
382L45.7Very low65Low100 Ų10054 Ų5452%0.52429%0.294SS..  trans-12366.3-174.8-77.5150.1000111.1G379 F384G379-L382 PolarHBondContact O-N 3.13Å; L382-F384 PolarHBondContact O-N 3.12Å
383C49.4Very low66.4Low14 Ų1455.5 Ų55.510%0.09529%0.294CS..  trans-73.7108.1162.4-65.90000107.6P385 A433C383-P385 WeakPolarHBondContact O-CD 3.39Å; C383-P385 VanDerWaalsContact O-CG 3.22Å; C383-P385 WeakPolarHBondContact O-CG 3.41Å; C383-A433 HydrophobicContact CB-CB 3.93Å
384F52.6Low67.6Low84 Ų8457 Ų5737%0.36829%0.294SS..  trans-61.899164.3-85.3-85.6000107.6L382 D386L382-F384 PolarHBondContact O-N 3.12Å; F384-D386 VanDerWaalsContact C-N 3.29Å; F384-D386 PolarHBondContact O-N 3.34Å
385P55Low68.9Low48 Ų4854.8 Ų54.831%0.31227%0.271SS..Hα-helixtrans-71.5-28.9-159-14.328.9000111.6C383 T389 A433C383-P385 WeakPolarHBondContact O-CD 3.39Å; C383-P385 VanDerWaalsContact O-CG 3.22Å; C383-P385 WeakPolarHBondContact O-CG 3.41Å; P385-T389 VanDerWaalsContact O-CB 3.29Å; P385-T389 WeakPolarHBondContact O-CB 3.3Å; P385-T389 WeakPolarHBondContact O-CG2 3.38Å; P385-T389 PolarHBondContact O-OG1 3.2Å; P385-A433 HydrophobicContact CB-CB 4.24Å; P385-A433 HydrophobicContact CG-CB 3.76Å
386D68.1Low70.3Confident106 Ų10652.3 Ų52.357%0.56726%0.258SS*.Hα-helixtrans-87.8-43.6-161.2-59.6-23.4000112.8F384 E390F384-D386 VanDerWaalsContact C-N 3.29Å; F384-D386 PolarHBondContact O-N 3.34Å; D386-E390 WeakPolarHBondContact O-CB 3.36Å; D386-E390 WeakPolarHBondContact O-CG 3.08Å; D386-E390 PolarHBondContact O-N 3Å
387F77.6Confident71.4Confident3 Ų358.4 Ų58.41%0.01329%0.285CS..Hα-helixtrans-78.3-51.8-177.5-179.7-108.4000112.7I350 I353 V355 L363 Y367 F370 E390 F391I350-F387 HydrophobicContact CG2-CB 3.47Å; I350-F387 VanDerWaalsContact CG2-CB 3.47Å; I350-F387 HydrophobicContact CG2-CD1 4.4Å; I350-F387 HydrophobicContact CG2-CG 4.02Å; I353-F387 HydrophobicContact CB-CD2 4.3Å; I353-F387 HydrophobicContact CG2-CD2 4.17Å; I353-F387 HydrophobicContact CG2-CE2 3.99Å; V355-F387 HydrophobicContact CG2-CD2 4.01Å; V355-F387 HydrophobicContact CG2-CE2 4.18Å; L363-F387 HydrophobicContact CD2-CE2 3.99Å; L363-F387 HydrophobicContact CD2-CZ 4.33Å; Y367-F387 HydrophobicContact CD2-CE1 4.11Å; F370-F387 HydrophobicContact CD2-CD1 4.43Å; F370-F387 AromaticContact CD2-CE1 3.96Å; F370-F387 HydrophobicContact CD2-CE1 3.96Å; F370-F387 HydrophobicContact CD2-CZ 4.36Å; F370-F387 HydrophobicContact CE2-CE1 4.16Å; F370-F387 HydrophobicContact CE2-CZ 4.14Å; F387-E390 PolarHBondContact O-N 3.37Å; F387-F391 VanDerWaalsContact O-CB 3.27Å; F387-F391 WeakPolarHBondContact O-CB 3.3Å; F387-F391 PolarHBondContact O-N 3.32Å
388C80.8Confident72.9Confident3 Ų353 Ų532%0.0226%0.26CS..Hα-helixtrans-76.2-32.7-169.6-55.10000112.9S392 I407 H411C388-S392 VanDerWaalsContact O-CB 3.31Å; C388-S392 WeakPolarHBondContact O-CB 3.28Å; C388-S392 PolarHBondContact O-N 2.96Å; C388-S392 PolarHBondContact O-OG 3.48Å; C388-I407 HydrophobicContact CB-CG2 4.21Å; C388-H411 WeakPolarHBondContact CB-NE2 3.22Å; C388-H411 VanDerWaalsContact SG-CE1 3.52Å; C388-H411 PolarHBondContact SG-NE2 3.06Å
389T80.8Confident74.4Confident7 Ų748.6 Ų48.64%0.04325%0.247CC..Hα-helixtrans-72.6-35.4172.879.20000111.8P385 S392 R393 C437P385-T389 VanDerWaalsContact O-CB 3.29Å; P385-T389 WeakPolarHBondContact O-CB 3.3Å; P385-T389 WeakPolarHBondContact O-CG2 3.38Å; P385-T389 PolarHBondContact O-OG1 3.2Å; T389-S392 WeakPolarHBondContact CA-OG 3.43Å; T389-S392 PolarHBondContact O-OG 2.92Å; T389-R393 WeakPolarHBondContact O-CB 3.21Å; T389-R393 PolarHBondContact O-N 3.37Å; T389-C437 HydrophobicContact CG2-CB 4.45Å; T389-C437 WeakPolarHBondContact CG2-SG 3.37Å
390E83.8Confident76.4Confident68 Ų6847.6 Ų47.632%0.31824%0.236SC..Hα-helixtrans-72.4-37.9174.7-65.7-60.2150.100111.6V355 D386 F387 R393 R394V355-E390 HydrophobicContact CB-CB 4.33Å; V355-E390 HydrophobicContact CG2-CB 3.76Å; D386-E390 WeakPolarHBondContact O-CB 3.36Å; D386-E390 WeakPolarHBondContact O-CG 3.08Å; D386-E390 PolarHBondContact O-N 3Å; F387-E390 PolarHBondContact O-N 3.37Å; E390-R393 VanDerWaalsContact CD-CZ 3.49Å; E390-R393 PolarHBondContact O-N 2.72Å; E390-R393 IonicContact OE1-CZ 3.53Å; E390-R393 IonicContact OE1-NH1 3.09Å; E390-R393 PolarHBondContact OE1-NH1 3.24Å; E390-R393 IonicContact OE1-NH2 3.68Å; E390-R393 PolarHBondContact OE1-NH2 3.35Å; E390-R393 IonicContact OE2-CZ 2.78Å; E390-R393 VanDerWaalsContact OE2-CZ 3.25Å; E390-R393 IonicContact OE2-NE 2.64Å; E390-R393 IonicContact OE2-NH1 3.77Å; E390-R393 PolarHBondContact OE2-NH1 2.91Å; E390-R393 IonicContact OE2-NH2 2.74Å; E390-R394 WeakPolarHBondContact O-CB 3.19Å; E390-R394 PolarHBondContact O-N 3.5Å
391F88Confident78.5Confident0 Ų043.4 Ų43.40%022%0.218CC..Hα-helixtrans-65.9-48.2175.2-179.4-151.1000111.5I360 L363 Y367 F387 R393 R394 A395 L403 I407I360-F391 HydrophobicContact CD1-CD2 4.5Å; I360-F391 HydrophobicContact CD1-CE2 3.96Å; L363-F391 HydrophobicContact CB-CD2 3.63Å; L363-F391 HydrophobicContact CB-CE1 4.34Å; L363-F391 HydrophobicContact CB-CE2 3.32Å; L363-F391 HydrophobicContact CB-CG 4.3Å; L363-F391 HydrophobicContact CB-CZ 3.72Å; L363-F391 HydrophobicContact CD1-CD2 3.83Å; L363-F391 HydrophobicContact CD1-CE2 4.03Å; L363-F391 HydrophobicContact CG-CD2 4.25Å; L363-F391 HydrophobicContact CG-CE2 4.3Å; Y367-F391 HydrophobicContact CD2-CD1 4.19Å; Y367-F391 HydrophobicContact CD2-CE1 4.38Å; Y367-F391 HydrophobicContact CG-CD1 4.24Å; Y367-F391 AromaticContact CG-CE1 3.98Å; Y367-F391 HydrophobicContact CG-CE1 3.98Å; F387-F391 VanDerWaalsContact O-CB 3.27Å; F387-F391 WeakPolarHBondContact O-CB 3.3Å; F387-F391 PolarHBondContact O-N 3.32Å; F391-R393 VanDerWaalsContact C-N 3.29Å; F391-R393 PolarHBondContact O-N 3.15Å; F391-R394 PolarHBondContact O-N 2.93Å; F391-R394 VanDerWaalsContact O-N 3.12Å; F391-A395 WeakPolarHBondContact O-CB 3.48Å; F391-A395 PolarHBondContact O-N 3.45Å; F391-L403 HydrophobicContact CE2-CD2 4.42Å; F391-L403 HydrophobicContact CZ-CD2 4.13Å; F391-I407 HydrophobicContact CD1-CD1 3.48Å; F391-I407 VanDerWaalsContact CD1-CD1 3.48Å; F391-I407 HydrophobicContact CD1-CG1 4.42Å; F391-I407 HydrophobicContact CE1-CD1 3.44Å; F391-I407 VanDerWaalsContact CE1-CD1 3.44Å; F391-I407 HydrophobicContact CE1-CG1 4.34Å; F391-I407 HydrophobicContact CG-CD1 4.08Å; F391-I407 HydrophobicContact CZ-CD1 4Å
392S89.8Confident80.5Confident2 Ų239.6 Ų39.61%0.01420%0.197CC..Hα-helixtrans-60.9-38.3173.858.10000111.9C388 T389 A395 R396 A404C388-S392 VanDerWaalsContact O-CB 3.31Å; C388-S392 WeakPolarHBondContact O-CB 3.28Å; C388-S392 PolarHBondContact O-N 2.96Å; C388-S392 PolarHBondContact O-OG 3.48Å; T389-S392 WeakPolarHBondContact CA-OG 3.43Å; T389-S392 PolarHBondContact O-OG 2.92Å; S392-A395 PolarHBondContact O-N 2.97Å; S392-R396 WeakPolarHBondContact O-CB 3.46Å; S392-R396 PolarHBondContact O-N 2.97Å; S392-A404 WeakPolarHBondContact O-CB 3.33Å
393R91.4Very high82.6Confident61 Ų6135.1 Ų35.123%0.2317%0.174CC..Hα-helixtrans-61.8-43.1172.6-175.1-169.9-64.7150.618111.8T389 E390 F391 K397 E440T389-R393 WeakPolarHBondContact O-CB 3.21Å; T389-R393 PolarHBondContact O-N 3.37Å; E390-R393 VanDerWaalsContact CD-CZ 3.49Å; E390-R393 PolarHBondContact O-N 2.72Å; E390-R393 IonicContact OE1-CZ 3.53Å; E390-R393 IonicContact OE1-NH1 3.09Å; E390-R393 PolarHBondContact OE1-NH1 3.24Å; E390-R393 IonicContact OE1-NH2 3.68Å; E390-R393 PolarHBondContact OE1-NH2 3.35Å; E390-R393 IonicContact OE2-CZ 2.78Å; E390-R393 VanDerWaalsContact OE2-CZ 3.25Å; E390-R393 IonicContact OE2-NE 2.64Å; E390-R393 IonicContact OE2-NH1 3.77Å; E390-R393 PolarHBondContact OE2-NH1 2.91Å; E390-R393 IonicContact OE2-NH2 2.74Å; F391-R393 VanDerWaalsContact C-N 3.29Å; F391-R393 PolarHBondContact O-N 3.15Å; R393-K397 WeakPolarHBondContact O-CB 3.34Å; R393-K397 WeakPolarHBondContact O-CG 3.49Å; R393-K397 PolarHBondContact O-N 3.18Å; R393-E440 IonicContact CZ-OE1 3.31Å; R393-E440 IonicContact NE-OE1 2.87Å; R393-E440 PolarHBondContact NE-OE1 3.39Å; R393-E440 IonicContact NH2-OE1 2.77Å
394R91.3Very high84.6Confident78 Ų7834.5 Ų34.529%0.29417%0.17SC..Hα-helixtrans-64.2-49.6177.5178.464-175.9132.36.5110.7E225 V355 I360 L363 E390 F391 R396 K397 T398E225-R394 IonicContact OE1-NH2 2.64Å; E225-R394 IonicContact OE2-CZ 2.86Å; E225-R394 IonicContact OE2-NE 3.8Å; E225-R394 IonicContact OE2-NH2 2.68Å; E225-R394 PolarHBondContact OE2-NH2 3.32Å; V355-R394 HydrophobicContact CG1-CB 3.75Å; V355-R394 HydrophobicContact CG1-CG 4.01Å; I360-R394 HydrophobicContact CD1-CG 3.87Å; L363-R394 HydrophobicContact CD1-CG 4.23Å; E390-R394 WeakPolarHBondContact O-CB 3.19Å; E390-R394 PolarHBondContact O-N 3.5Å; F391-R394 PolarHBondContact O-N 2.93Å; F391-R394 VanDerWaalsContact O-N 3.12Å; R394-R396 VanDerWaalsContact C-N 3.31Å; R394-R396 PolarHBondContact O-N 2.74Å; R394-K397 PolarHBondContact O-N 3.15Å; R394-K397 VanDerWaalsContact O-N 3.13Å; R394-T398 VanDerWaalsContact CZ-CG2 3.43Å; R394-T398 PolarHBondContact O-N 2.79Å; R394-T398 PolarHBondContact O-OG1 2.83Å
395A92.8Very high86.3Confident0 Ų031.1 Ų31.10%016%0.156CC..Hα-helixtrans-56.2-44.8175.700000111.9I360 F391 S392 T398 G399 N400 L403 A404I360-A395 HydrophobicContact CD1-CB 4.1Å; F391-A395 WeakPolarHBondContact O-CB 3.48Å; F391-A395 PolarHBondContact O-N 3.45Å; S392-A395 PolarHBondContact O-N 2.97Å; A395-T398 CarbonylContact O-C 3.51Å; A395-T398 PolarHBondContact O-N 3.21Å; A395-T398 PolarHBondContact O-OG1 3.02Å; A395-G399 PolarHBondContact O-N 3.04Å; A395-N400 CarbonylContact C-O 3.49Å; A395-N400 HydrophobicContact CB-CB 4.32Å; A395-N400 CarbonylContact O-C 3.48Å; A395-N400 WeakPolarHBondContact O-CA 3.37Å; A395-N400 PolarHBondContact O-N 3.29Å; A395-L403 HydrophobicContact CB-CB 4.46Å; A395-L403 HydrophobicContact CB-CD2 3.94Å; A395-L403 HydrophobicContact CB-CG 4.09Å; A395-A404 HydrophobicContact CB-CB 4.23Å
396R94.4Very high87.8Confident24 Ų2432.2 Ų32.29%0.09115%0.154CC..Hα-helixtrans-62.5-43.6175.6-179.9-178.566.866.42112.5S392 R394 T398 G399 A404 E440 A444S392-R396 WeakPolarHBondContact O-CB 3.46Å; S392-R396 PolarHBondContact O-N 2.97Å; R394-R396 VanDerWaalsContact C-N 3.31Å; R394-R396 PolarHBondContact O-N 2.74Å; R396-T398 VanDerWaalsContact C-N 3.26Å; R396-T398 PolarHBondContact O-N 3.23Å; R396-G399 PolarHBondContact O-N 3.4Å; R396-G399 VanDerWaalsContact O-N 3.14Å; R396-A404 HydrophobicContact CB-CB 4.03Å; R396-E440 IonicContact CZ-OE2 2.98Å; R396-E440 IonicContact NE-OE2 3.44Å; R396-E440 PolarHBondContact NE-OE2 3.5Å; R396-E440 IonicContact NH2-OE2 2.67Å; R396-E440 PolarHBondContact NH2-OE2 3.43Å; R396-A444 VanDerWaalsContact CD-CA 3.48Å; R396-A444 VanDerWaalsContact CD-N 3.33Å; R396-A444 HydrophobicContact CG-CB 4.48Å
397K93Very high88.5Confident132 Ų13227.3 Ų27.357%0.57413%0.127SC*.Hα-helixtrans-65.3-27.6178.3-78.7179.6178.7179.20112.7R393 R394 G399R393-K397 WeakPolarHBondContact O-CB 3.34Å; R393-K397 WeakPolarHBondContact O-CG 3.49Å; R393-K397 PolarHBondContact O-N 3.18Å; R394-K397 PolarHBondContact O-N 3.15Å; R394-K397 VanDerWaalsContact O-N 3.13Å; K397-G399 VanDerWaalsContact C-N 3.32Å
398T91.4Very high88.9Confident8 Ų827.3 Ų27.35%0.04913%0.127CC..THydrogen-bonded Turntrans-90.613.2174.261.90000113.1E225 C226 I360 R394 A395 R396 N400E225-T398 HydrophobicContact CB-CG2 4.19Å; C226-T398 WeakPolarHBondContact CA-O 3.4Å; C226-T398 PolarHBondContact SG-O 3.38Å; I360-T398 HydrophobicContact CG1-CG2 4.32Å; R394-T398 VanDerWaalsContact CZ-CG2 3.43Å; R394-T398 PolarHBondContact O-N 2.79Å; R394-T398 PolarHBondContact O-OG1 2.83Å; A395-T398 CarbonylContact O-C 3.51Å; A395-T398 PolarHBondContact O-N 3.21Å; A395-T398 PolarHBondContact O-OG1 3.02Å; R396-T398 VanDerWaalsContact C-N 3.26Å; R396-T398 PolarHBondContact O-N 3.23Å; T398-N400 VanDerWaalsContact C-N 3.27Å; T398-N400 PolarHBondContact O-N 3.29Å; T398-N400 PolarHBondContact OG1-ND2 3.15Å
399G90.4Very high89Confident25 Ų2528.2 Ų28.226%0.25813%0.132SC..THydrogen-bonded Turntrans79.4-3.7178.600000115.7A395 R396 K397 T401A395-G399 PolarHBondContact O-N 3.04Å; R396-G399 PolarHBondContact O-N 3.4Å; R396-G399 VanDerWaalsContact O-N 3.14Å; K397-G399 VanDerWaalsContact C-N 3.32Å; G399-T401 PolarHBondContact O-N 3.45Å
400N93.2Very high88.9Confident0 Ų030.7 Ų30.70%014%0.141CC..  trans-80.268.3175.9-54.5-52.2000110.8E225 Y227 E228 A395 T398 L403 A404E225-N400 PolarHBondContact O-ND2 3.34Å; Y227-N400 PolarHBondContact N-OD1 2.73Å; E228-N400 VanDerWaalsContact CD-CA 3.4Å; E228-N400 HydrophobicContact CG-CB 4.33Å; E228-N400 PolarHBondContact N-OD1 3.5Å; E228-N400 VanDerWaalsContact N-OD1 3.16Å; E228-N400 VanDerWaalsContact OE1-C 3.3Å; E228-N400 WeakPolarHBondContact OE1-CA 3.47Å; E228-N400 WeakPolarHBondContact OE2-CA 3.43Å; A395-N400 CarbonylContact C-O 3.49Å; A395-N400 HydrophobicContact CB-CB 4.32Å; A395-N400 CarbonylContact O-C 3.48Å; A395-N400 WeakPolarHBondContact O-CA 3.37Å; A395-N400 PolarHBondContact O-N 3.29Å; T398-N400 VanDerWaalsContact C-N 3.27Å; T398-N400 PolarHBondContact O-N 3.29Å; T398-N400 PolarHBondContact OG1-ND2 3.15Å; N400-L403 HydrophobicContact CB-CB 4.05Å; N400-L403 HydrophobicContact CB-CD2 4.36Å; N400-A404 PolarHBondContact O-N 2.64Å; N400-A404 VanDerWaalsContact O-N 3.15Å
401T91.5Very high88.4Confident18 Ų1828 Ų2811%0.1113%0.128CC..Hα-helixtrans-71.7-34.9-173.356.50000112.5E228 G399 A404 L405 Q447E228-T401 PolarHBondContact OE2-N 3.02Å; G399-T401 PolarHBondContact O-N 3.45Å; T401-A404 PolarHBondContact O-N 3.13Å; T401-L405 WeakPolarHBondContact O-CG 3.47Å; T401-L405 PolarHBondContact O-N 3.29Å; T401-Q447 HydrophobicContact CG2-CB 3.89Å
402N89.3Confident87.8Confident50 Ų5028.3 Ų28.327%0.26713%0.13SC..Hα-helixtrans-68.3-43.5176.8-178.4-27.5000110.6E228 A404 L405 R406E228-N402 WeakPolarHBondContact OE1-CA 3.25Å; E228-N402 VanDerWaalsContact OE1-CB 3.3Å; E228-N402 WeakPolarHBondContact OE1-CB 3.45Å; E228-N402 PolarHBondContact OE1-N 3.46Å; E228-N402 VanDerWaalsContact OE1-N 3.08Å; E228-N402 PolarHBondContact OE2-N 2.9Å; N402-A404 VanDerWaalsContact C-N 3.32Å; N402-A404 PolarHBondContact O-N 3.48Å; N402-L405 PolarHBondContact O-N 2.92Å; N402-R406 WeakPolarHBondContact O-CG 3.47Å; N402-R406 PolarHBondContact O-N 3.46Å; N402-R406 VanDerWaalsContact OD1-CD 3.28Å; N402-R406 WeakPolarHBondContact OD1-CD 3.44Å; N402-R406 WeakPolarHBondContact OD1-CG 3.49Å; N402-R406 PolarHBondContact OD1-NE 3.41Å
403L89.7Confident87.2Confident7 Ų732.5 Ų32.54%0.03715%0.152CC..Hα-helixtrans-54.6-47.7170.9175.858.9000111.8E228 V269 I360 F391 A395 N400 L405 R406 I407E228-L403 PolarHBondContact OE1-N 2.85Å; V269-L403 HydrophobicContact CB-CB 4.4Å; V269-L403 HydrophobicContact CB-CD2 4.21Å; V269-L403 HydrophobicContact CG1-CD2 4.17Å; I360-L403 HydrophobicContact CG2-CD2 4.05Å; F391-L403 HydrophobicContact CE2-CD2 4.42Å; F391-L403 HydrophobicContact CZ-CD2 4.13Å; A395-L403 HydrophobicContact CB-CB 4.46Å; A395-L403 HydrophobicContact CB-CD2 3.94Å; A395-L403 HydrophobicContact CB-CG 4.09Å; N400-L403 HydrophobicContact CB-CB 4.05Å; N400-L403 HydrophobicContact CB-CD2 4.36Å; L403-L405 PolarHBondContact O-N 2.88Å; L403-R406 PolarHBondContact O-N 3.35Å; L403-I407 HydrophobicContact CD1-CD1 3.82Å; L403-I407 HydrophobicContact CD1-CG1 4.13Å; L403-I407 HydrophobicContact CG-CD1 3.88Å; L403-I407 WeakPolarHBondContact O-CD1 3.49Å; L403-I407 VanDerWaalsContact O-CG1 3.3Å; L403-I407 WeakPolarHBondContact O-CG1 3.37Å; L403-I407 PolarHBondContact O-N 3.48Å
404A90.7Very high86.5Confident0 Ų030.1 Ų30.10%015%0.145CC..Hα-helixtrans-59.7-44.3178.400000112.2S392 A395 R396 N400 T401 N402 L408 A444S392-A404 WeakPolarHBondContact O-CB 3.33Å; A395-A404 HydrophobicContact CB-CB 4.23Å; R396-A404 HydrophobicContact CB-CB 4.03Å; N400-A404 PolarHBondContact O-N 2.64Å; N400-A404 VanDerWaalsContact O-N 3.15Å; T401-A404 PolarHBondContact O-N 3.13Å; N402-A404 VanDerWaalsContact C-N 3.32Å; N402-A404 PolarHBondContact O-N 3.48Å; A404-L408 WeakPolarHBondContact O-CD1 3.45Å; A404-L408 VanDerWaalsContact O-CG 3.26Å; A404-L408 WeakPolarHBondContact O-CG 3.31Å; A404-L408 PolarHBondContact O-N 3.2Å; A404-L408 VanDerWaalsContact O-N 3.11Å; A404-A444 HydrophobicContact CB-CB 4.35Å
405L88.8Confident85.7Confident14 Ų1430.7 Ų30.77%0.07317%0.166CC..Hα-helixtrans-66.3-40.1177.7-71.5172.5000112.2T401 N402 L403 L408 N409 Y441 A444 L445 Y448T401-L405 WeakPolarHBondContact O-CG 3.47Å; T401-L405 PolarHBondContact O-N 3.29Å; N402-L405 PolarHBondContact O-N 2.92Å; L403-L405 PolarHBondContact O-N 2.88Å; L405-L408 PolarHBondContact O-N 3.02Å; L405-N409 VanDerWaalsContact O-CB 3.24Å; L405-N409 WeakPolarHBondContact O-CB 3.46Å; L405-N409 PolarHBondContact O-N 3.42Å; L405-Y441 HydrophobicContact CD2-CD2 3.93Å; L405-Y441 HydrophobicContact CD2-CE1 4.38Å; L405-Y441 HydrophobicContact CD2-CE2 3.61Å; L405-Y441 HydrophobicContact CD2-CG 4.45Å; L405-A444 HydrophobicContact CD2-CB 3.78Å; L405-A444 HydrophobicContact CG-CB 4.1Å; L405-L445 HydrophobicContact CD1-CD2 4.35Å; L405-L445 HydrophobicContact CD2-CD2 3.92Å; L405-L445 HydrophobicContact CD2-CG 4.12Å; L405-Y448 HydrophobicContact CD1-CD1 4.35Å; L405-Y448 HydrophobicContact CD1-CD2 4.04Å; L405-Y448 HydrophobicContact CD1-CG 3.89Å
406R86.3Confident85Confident71 Ų7131.9 Ų31.927%0.26818%0.178SC..Hα-helixtrans-64.1-43.7177.4-75.5-176.7-66.9146.55.5112.5V269 N270 D271 N402 L403 L408 Y410V269-R406 PolarHBondContact O-NH2 2.86Å; N270-R406 PolarHBondContact O-NH1 3.17Å; D271-R406 VanDerWaalsContact CA-NH1 3.3Å; N402-R406 WeakPolarHBondContact O-CG 3.47Å; N402-R406 PolarHBondContact O-N 3.46Å; N402-R406 VanDerWaalsContact OD1-CD 3.28Å; N402-R406 WeakPolarHBondContact OD1-CD 3.44Å; N402-R406 WeakPolarHBondContact OD1-CG 3.49Å; N402-R406 PolarHBondContact OD1-NE 3.41Å; L403-R406 PolarHBondContact O-N 3.35Å; R406-L408 VanDerWaalsContact C-N 3.33Å; R406-L408 PolarHBondContact O-N 2.67Å; R406-Y410 WeakPolarHBondContact O-CB 3.44Å; R406-Y410 PolarHBondContact O-N 3.17Å; R406-Y410 VanDerWaalsContact O-N 3.08Å
407I84.1Confident84.2Confident3 Ų333.2 Ų33.22%0.01519%0.189CC..Hα-helixtrans-57.5-49.9173.9-66.6160.7000109.5Y367 C388 F391 L403 Y410 H411Y367-I407 HydrophobicContact CE1-CG1 4.32Å; Y367-I407 HydrophobicContact CE2-CG2 4.1Å; C388-I407 HydrophobicContact CB-CG2 4.21Å; F391-I407 HydrophobicContact CD1-CD1 3.48Å; F391-I407 VanDerWaalsContact CD1-CD1 3.48Å; F391-I407 HydrophobicContact CD1-CG1 4.42Å; F391-I407 HydrophobicContact CE1-CD1 3.44Å; F391-I407 VanDerWaalsContact CE1-CD1 3.44Å; F391-I407 HydrophobicContact CE1-CG1 4.34Å; F391-I407 HydrophobicContact CG-CD1 4.08Å; F391-I407 HydrophobicContact CZ-CD1 4Å; L403-I407 HydrophobicContact CD1-CD1 3.82Å; L403-I407 HydrophobicContact CD1-CG1 4.13Å; L403-I407 HydrophobicContact CG-CD1 3.88Å; L403-I407 WeakPolarHBondContact O-CD1 3.49Å; L403-I407 VanDerWaalsContact O-CG1 3.3Å; L403-I407 WeakPolarHBondContact O-CG1 3.37Å; L403-I407 PolarHBondContact O-N 3.48Å; I407-Y410 PolarHBondContact O-N 3.18Å; I407-H411 PolarHBondContact O-CD2 2.88Å; I407-H411 PolarHBondContact O-N 3.39Å
408L84.8Confident83.6Confident2 Ų231.5 Ų31.51%0.0119%0.189CC..Hα-helixtrans-68.8-42.2-176.6-67.3168.1000112.7A404 L405 R406 Y410 H411 F412 C437 Y441A404-L408 WeakPolarHBondContact O-CD1 3.45Å; A404-L408 VanDerWaalsContact O-CG 3.26Å; A404-L408 WeakPolarHBondContact O-CG 3.31Å; A404-L408 PolarHBondContact O-N 3.2Å; A404-L408 VanDerWaalsContact O-N 3.11Å; L405-L408 PolarHBondContact O-N 3.02Å; R406-L408 VanDerWaalsContact C-N 3.33Å; R406-L408 PolarHBondContact O-N 2.67Å; L408-Y410 VanDerWaalsContact C-N 3.3Å; L408-Y410 PolarHBondContact O-N 3.12Å; L408-H411 PolarHBondContact O-N 3.23Å; L408-H411 VanDerWaalsContact O-N 3.12Å; L408-F412 WeakPolarHBondContact O-CD2 3.35Å; L408-F412 PolarHBondContact O-N 3.48Å; L408-C437 HydrophobicContact CD2-CB 4.45Å; L408-Y441 HydrophobicContact CB-CD2 3.58Å; L408-Y441 HydrophobicContact CB-CE2 4.07Å; L408-Y441 HydrophobicContact CD1-CD2 3.79Å; L408-Y441 HydrophobicContact CD1-CG 4.41Å; L408-Y441 HydrophobicContact CG-CD2 4.31Å
409N83Confident83.1Confident23 Ų2335.6 Ų35.612%0.12321%0.208CC..Hα-helixtrans-56.6-44.2175.7-81.5-7.8000111.3L405 H411 F412 N413 C414 Y441L405-N409 VanDerWaalsContact O-CB 3.24Å; L405-N409 WeakPolarHBondContact O-CB 3.46Å; L405-N409 PolarHBondContact O-N 3.42Å; N409-H411 VanDerWaalsContact C-N 3.34Å; N409-H411 PolarHBondContact O-N 2.97Å; N409-F412 PolarHBondContact O-N 3.22Å; N409-N413 PolarHBondContact O-N 3.47Å; N409-C414 CarbonylContact C-O 3.57Å; N409-C414 WeakPolarHBondContact CB-O 3.22Å; N409-C414 PolarHBondContact O-N 3.02Å; N409-Y441 WeakPolarHBondContact OD1-CE2 3.3Å; N409-Y441 PolarHBondContact OD1-OH 3.45Å
410Y78.1Confident82.5Confident59 Ų5934.4 Ų34.423%0.23120%0.196CC..Hα-helixtrans-59.3-44.6175.5-175.7-96.5000111.8L371 H378 R406 I407 L408 F412 N413L371-Y410 HydrophobicContact CD2-CD1 4.11Å; L371-Y410 HydrophobicContact CD2-CE1 3.35Å; H378-Y410 HydrophobicContact CB-CE1 4.1Å; R406-Y410 WeakPolarHBondContact O-CB 3.44Å; R406-Y410 PolarHBondContact O-N 3.17Å; R406-Y410 VanDerWaalsContact O-N 3.08Å; I407-Y410 PolarHBondContact O-N 3.18Å; L408-Y410 VanDerWaalsContact C-N 3.3Å; L408-Y410 PolarHBondContact O-N 3.12Å; Y410-F412 PolarHBondContact O-N 2.83Å; Y410-N413 PolarHBondContact O-N 3.07Å; Y410-N413 VanDerWaalsContact O-N 3.07Å
411H73.7Confident81.6Confident10 Ų1035.7 Ų35.75%0.04620%0.202CC..Hα-helixtrans-71.2-26.5178.2-75.2-61.9000114.7Y367 C388 I407 L408 N409 N413Y367-H411 AromaticContact CE2-NE2 3.78Å; C388-H411 WeakPolarHBondContact CB-NE2 3.22Å; C388-H411 VanDerWaalsContact SG-CE1 3.52Å; C388-H411 PolarHBondContact SG-NE2 3.06Å; I407-H411 PolarHBondContact O-CD2 2.88Å; I407-H411 PolarHBondContact O-N 3.39Å; L408-H411 PolarHBondContact O-N 3.23Å; L408-H411 VanDerWaalsContact O-N 3.12Å; N409-H411 VanDerWaalsContact C-N 3.34Å; N409-H411 PolarHBondContact O-N 2.97Å; H411-N413 VanDerWaalsContact C-N 3.25Å
412F75.1Confident81Confident7 Ų739 Ų393%0.03122%0.219CC..Hα-helixtrans-80.6-7.6169.8-77.3-68.9000113.1L408 N409 Y410 C414 V420 Q423 F424 C437 Y441L408-F412 WeakPolarHBondContact O-CD2 3.35Å; L408-F412 PolarHBondContact O-N 3.48Å; N409-F412 PolarHBondContact O-N 3.22Å; Y410-F412 PolarHBondContact O-N 2.83Å; F412-C414 HydrophobicContact CB-CB 4.33Å; F412-C414 PolarHBondContact O-N 3.36Å; F412-C414 PolarHBondContact O-SG 3.27Å; F412-V420 HydrophobicContact CB-CG2 4.18Å; F412-V420 HydrophobicContact CD2-CG1 4.24Å; F412-V420 HydrophobicContact CD2-CG2 4.4Å; F412-V420 HydrophobicContact CE2-CG1 4.42Å; F412-V420 HydrophobicContact CG-CG1 4.4Å; F412-V420 HydrophobicContact CG-CG2 4.41Å; F412-Q423 PolarHBondContact O-NE2 3.34Å; F412-Q423 PolarHBondContact O-OE1 2.87Å; F412-F424 AromaticContact CE1-CE2 3.74Å; F412-F424 HydrophobicContact CE1-CE2 3.74Å; F412-F424 AromaticContact CE1-CZ 3.87Å; F412-F424 HydrophobicContact CE1-CZ 3.87Å; F412-F424 AromaticContact CZ-CE2 3.86Å; F412-F424 HydrophobicContact CZ-CE2 3.86Å; F412-F424 AromaticContact CZ-CZ 3.93Å; F412-F424 HydrophobicContact CZ-CZ 3.93Å; F412-C437 HydrophobicContact CE1-CB 4.35Å; F412-C437 HydrophobicContact CE2-CB 3.8Å; F412-C437 HydrophobicContact CZ-CB 3.44Å; F412-C437 VanDerWaalsContact CZ-CB 3.44Å; F412-Y441 HydrophobicContact CE2-CD2 4.44Å
413N77.3Confident80.5Confident90 Ų9038.6 Ų38.648%0.48122%0.216SC..THydrogen-bonded Turntrans54.142.5-170.7-16637.7000111.9N409 Y410 H411N409-N413 PolarHBondContact O-N 3.47Å; Y410-N413 PolarHBondContact O-N 3.07Å; Y410-N413 VanDerWaalsContact O-N 3.07Å; H411-N413 VanDerWaalsContact C-N 3.25Å
414C77.9Confident79.8Confident12 Ų1238.4 Ų38.48%0.08122%0.215CC..  trans-119.3143.3179.9-66.30000110.3N409 F412 E419 V420 Q423N409-C414 CarbonylContact C-O 3.57Å; N409-C414 WeakPolarHBondContact CB-O 3.22Å; N409-C414 PolarHBondContact O-N 3.02Å; F412-C414 HydrophobicContact CB-CB 4.33Å; F412-C414 PolarHBondContact O-N 3.36Å; F412-C414 PolarHBondContact O-SG 3.27Å; C414-E419 WeakPolarHBondContact CA-OE2 3.49Å; C414-E419 HydrophobicContact CB-CB 3.93Å; C414-V420 HydrophobicContact CB-CG2 3.58Å; C414-Q423 PolarHBondContact SG-NE2 2.98Å
415A74.3Confident78.8Confident89 Ų8942.4 Ų42.474%0.73624%0.236SC*.SBendtrans-79.8-25173.600000112.4E419A415-E419 PolarHBondContact N-OE2 3.13Å
416G78Confident77.9Confident25 Ų2545.7 Ų45.726%0.25827%0.265SS..SBendtrans-156.4175.2-174.200000115.5V418 E419 V420G416-V418 PolarHBondContact O-N 3.44Å; G416-E419 PolarHBondContact O-N 2.95Å; G416-V420 PolarHBondContact O-N 3.12Å
417T77.9Confident77Confident53 Ų5344.9 Ų44.933%0.32527%0.266SS..Hα-helixtrans-64-36.8-174.558.20000113.4V420 I421 Y441 L445T417-V420 PolarHBondContact O-N 2.81Å; T417-I421 WeakPolarHBondContact O-CG1 3.28Å; T417-I421 PolarHBondContact O-N 3.42Å; T417-Y441 WeakPolarHBondContact CA-OH 3.31Å; T417-Y441 WeakPolarHBondContact CG2-OH 3.42Å; T417-L445 HydrophobicContact CG2-CD2 3.57Å
418V79.8Confident76Confident95 Ų9553.2 Ų53.258%0.57631%0.305SS*.Hα-helixtrans-62.7-47178.5-179.40000110.6G416 V420 I421 D422G416-V418 PolarHBondContact O-N 3.44Å; V418-V420 VanDerWaalsContact C-N 3.3Å; V418-V420 PolarHBondContact O-N 3.39Å; V418-I421 PolarHBondContact O-N 3.2Å; V418-I421 VanDerWaalsContact O-N 3.12Å; V418-D422 VanDerWaalsContact O-CG 3.28Å; V418-D422 PolarHBondContact O-N 3.32Å
419E80.5Confident74.9Confident94 Ų9456 Ų5644%0.43932%0.324SS..Hα-helixtrans-63.5-36.1178.8-67176.3-178.900112.2C414 A415 G416 Q423C414-E419 WeakPolarHBondContact CA-OE2 3.49Å; C414-E419 HydrophobicContact CB-CB 3.93Å; A415-E419 PolarHBondContact N-OE2 3.13Å; G416-E419 PolarHBondContact O-N 2.95Å; E419-Q423 WeakPolarHBondContact O-CB 3.45Å; E419-Q423 WeakPolarHBondContact O-CG 3.31Å; E419-Q423 PolarHBondContact O-N 3.15Å
420V77.9Confident74.1Confident0 Ų055.1 Ų55.10%032%0.319CS..Hα-helixtrans-63.7-47.3173.7177.70000110.2F412 C414 G416 T417 V418 D422 Q423 F424 Y441F412-V420 HydrophobicContact CB-CG2 4.18Å; F412-V420 HydrophobicContact CD2-CG1 4.24Å; F412-V420 HydrophobicContact CD2-CG2 4.4Å; F412-V420 HydrophobicContact CE2-CG1 4.42Å; F412-V420 HydrophobicContact CG-CG1 4.4Å; F412-V420 HydrophobicContact CG-CG2 4.41Å; C414-V420 HydrophobicContact CB-CG2 3.58Å; G416-V420 PolarHBondContact O-N 3.12Å; T417-V420 PolarHBondContact O-N 2.81Å; V418-V420 VanDerWaalsContact C-N 3.3Å; V418-V420 PolarHBondContact O-N 3.39Å; V420-D422 VanDerWaalsContact C-N 3.35Å; V420-D422 PolarHBondContact O-N 3.4Å; V420-Q423 WeakPolarHBondContact O-CB 3.28Å; V420-Q423 PolarHBondContact O-N 3.39Å; V420-F424 HydrophobicContact CG1-CD2 4.11Å; V420-F424 HydrophobicContact CG1-CE2 3.97Å; V420-F424 VanDerWaalsContact O-CD2 3.29Å; V420-F424 WeakPolarHBondContact O-CD2 3.43Å; V420-F424 PolarHBondContact O-N 2.96Å; V420-Y441 HydrophobicContact CB-CE1 4.13Å; V420-Y441 HydrophobicContact CG1-CD1 4.1Å; V420-Y441 HydrophobicContact CG1-CE1 3.93Å; V420-Y441 HydrophobicContact CG2-CE1 4.35Å; V420-Y441 HydrophobicContact CG2-CE2 4.32Å
421I75.9Confident74Confident27 Ų2754.8 Ų54.814%0.13833%0.325CS..Hα-helixtrans-60.9-45178.4-67.6167000110.7T417 V418 Q423 F424 D425 A453 L457T417-I421 WeakPolarHBondContact O-CG1 3.28Å; T417-I421 PolarHBondContact O-N 3.42Å; V418-I421 PolarHBondContact O-N 3.2Å; V418-I421 VanDerWaalsContact O-N 3.12Å; I421-Q423 VanDerWaalsContact C-N 3.32Å; I421-Q423 PolarHBondContact O-N 3.38Å; I421-F424 PolarHBondContact O-N 2.83Å; I421-F424 VanDerWaalsContact O-N 3.09Å; I421-D425 PolarHBondContact O-N 3.08Å; I421-D425 VanDerWaalsContact O-N 3.11Å; I421-A453 HydrophobicContact CD1-CB 4.28Å; I421-L457 HydrophobicContact CG1-CD1 4.4Å
422D78.9Confident74Confident88 Ų8856.3 Ų56.347%0.47133%0.333SS..Hα-helixtrans-63.3-36.2178.3-68.5-17.2000112V418 V420 F424 D425 A426V418-D422 VanDerWaalsContact O-CG 3.28Å; V418-D422 PolarHBondContact O-N 3.32Å; V420-D422 VanDerWaalsContact C-N 3.35Å; V420-D422 PolarHBondContact O-N 3.4Å; D422-F424 VanDerWaalsContact C-N 3.33Å; D422-F424 PolarHBondContact O-N 2.88Å; D422-D425 PolarHBondContact O-N 3.01Å; D422-A426 PolarHBondContact O-N 2.9Å; D422-A426 VanDerWaalsContact O-N 3.07Å
423Q78.1Confident74Confident41 Ų4156.7 Ų56.719%0.19234%0.338CS..Hα-helixtrans-62-40172.7-81.5-169.610.200112.1F412 C414 E419 V420 I421 D425 A426 L427F412-Q423 PolarHBondContact O-NE2 3.34Å; F412-Q423 PolarHBondContact O-OE1 2.87Å; C414-Q423 PolarHBondContact SG-NE2 2.98Å; E419-Q423 WeakPolarHBondContact O-CB 3.45Å; E419-Q423 WeakPolarHBondContact O-CG 3.31Å; E419-Q423 PolarHBondContact O-N 3.15Å; V420-Q423 WeakPolarHBondContact O-CB 3.28Å; V420-Q423 PolarHBondContact O-N 3.39Å; I421-Q423 VanDerWaalsContact C-N 3.32Å; I421-Q423 PolarHBondContact O-N 3.38Å; Q423-D425 VanDerWaalsContact C-N 3.29Å; Q423-D425 PolarHBondContact O-N 3.2Å; Q423-A426 PolarHBondContact O-N 3.23Å; Q423-L427 WeakPolarHBondContact O-CD1 3.46Å; Q423-L427 WeakPolarHBondContact O-CG 3.35Å; Q423-L427 PolarHBondContact O-N 2.93Å
424F74.5Confident73.9Confident4 Ų453 Ų532%0.01832%0.318CS..Hα-helixtrans-69.4-27176.4-82.7-84.9000112.5F412 V420 I421 D422 L430 L457 M461F412-F424 AromaticContact CE1-CE2 3.74Å; F412-F424 HydrophobicContact CE1-CE2 3.74Å; F412-F424 AromaticContact CE1-CZ 3.87Å; F412-F424 HydrophobicContact CE1-CZ 3.87Å; F412-F424 AromaticContact CZ-CE2 3.86Å; F412-F424 HydrophobicContact CZ-CE2 3.86Å; F412-F424 AromaticContact CZ-CZ 3.93Å; F412-F424 HydrophobicContact CZ-CZ 3.93Å; V420-F424 HydrophobicContact CG1-CD2 4.11Å; V420-F424 HydrophobicContact CG1-CE2 3.97Å; V420-F424 VanDerWaalsContact O-CD2 3.29Å; V420-F424 WeakPolarHBondContact O-CD2 3.43Å; V420-F424 PolarHBondContact O-N 2.96Å; I421-F424 PolarHBondContact O-N 2.83Å; I421-F424 VanDerWaalsContact O-N 3.09Å; D422-F424 VanDerWaalsContact C-N 3.33Å; D422-F424 PolarHBondContact O-N 2.88Å; F424-L430 HydrophobicContact CD1-CD1 3.83Å; F424-L430 HydrophobicContact CD1-CD2 3.63Å; F424-L430 HydrophobicContact CD1-CG 4.4Å; F424-L430 HydrophobicContact CE1-CD1 3.99Å; F424-L430 HydrophobicContact CE1-CD2 3.59Å; F424-L430 HydrophobicContact CE1-CG 4.44Å; F424-L457 HydrophobicContact CB-CD1 4.2Å; F424-L457 HydrophobicContact CD2-CD1 3.71Å; F424-L457 HydrophobicContact CE2-CD1 4.28Å; F424-L457 HydrophobicContact CG-CD1 3.96Å; F424-M461 HydrophobicContact CD1-CG 3.8Å; F424-M461 HydrophobicContact CE1-CE 4.4Å; F424-M461 HydrophobicContact CE1-CG 3.86Å; F424-M461 HydrophobicContact CE1-SD 4.29Å
425D69.6Low74Confident84 Ų8452.8 Ų52.845%0.44932%0.316SS..Hα-helixtrans-73-33.8173.8-72.1-7.7000112.6I421 D422 Q423 R460I421-D425 PolarHBondContact O-N 3.08Å; I421-D425 VanDerWaalsContact O-N 3.11Å; D422-D425 PolarHBondContact O-N 3.01Å; Q423-D425 VanDerWaalsContact C-N 3.29Å; Q423-D425 PolarHBondContact O-N 3.2Å; D425-R460 WeakPolarHBondContact OD1-CD 3.46Å; D425-R460 IonicContact OD1-CZ 3.69Å; D425-R460 IonicContact OD1-NE 3.74Å; D425-R460 IonicContact OD1-NH1 3.29Å; D425-R460 PolarHBondContact OD1-NH1 3Å; D425-R460 IonicContact OD2-CZ 3.06Å; D425-R460 IonicContact OD2-NH1 2.63Å; D425-R460 PolarHBondContact OD2-NH1 3.25Å; D425-R460 IonicContact OD2-NH2 3.37Å
426A71.3Confident74.4Confident83 Ų8349.7 Ų49.769%0.68629%0.289SS*.Hα-helixtrans-78.7-18.3-177.300000113.9D422 Q423D422-A426 PolarHBondContact O-N 2.9Å; D422-A426 VanDerWaalsContact O-N 3.07Å; Q423-A426 PolarHBondContact O-N 3.23Å
427L67.2Low74.5Confident53 Ų5348.7 Ų48.728%0.27728%0.278SS..  trans-91.9120.2-170.4-73.3167.6000112.4Q423 L430 K434 V464Q423-L427 WeakPolarHBondContact O-CD1 3.46Å; Q423-L427 WeakPolarHBondContact O-CG 3.35Å; Q423-L427 PolarHBondContact O-N 2.93Å; L427-L430 HydrophobicContact CB-CD2 4.1Å; L427-L430 HydrophobicContact CD1-CD2 3.74Å; L427-K434 HydrophobicContact CD1-CD 4.26Å; L427-V464 WeakPolarHBondContact O-CG1 3.34Å
428Q62.3Low74.9Confident179 Ų17946.2 Ų46.284%0.83626%0.262SS*.SBendtrans-76.4-21.8173.1-71.3-177.1-10.300113.8
429C60.9Low75.3Confident60 Ų6042.4 Ų42.441%0.40524%0.238SC..  trans-143.8135.3179.4-178.30000109.8F468C429-F468 HydrophobicContact CB-CD2 3.7Å; C429-F468 HydrophobicContact CB-CE2 3.58Å; C429-F468 HydrophobicContact CB-CG 4.47Å; C429-F468 HydrophobicContact CB-CZ 4.25Å; C429-F468 WeakPolarHBondContact SG-CE2 3.12Å; C429-F468 WeakPolarHBondContact SG-CZ 3.33Å
430L67.4Low75.6Confident4 Ų438.2 Ų38.22%0.02122%0.218CC..  trans-113.8127.2-179.7-66.4163.1000109.1F424 L427 K434 L435 V464 H499F424-L430 HydrophobicContact CD1-CD1 3.83Å; F424-L430 HydrophobicContact CD1-CD2 3.63Å; F424-L430 HydrophobicContact CD1-CG 4.4Å; F424-L430 HydrophobicContact CE1-CD1 3.99Å; F424-L430 HydrophobicContact CE1-CD2 3.59Å; F424-L430 HydrophobicContact CE1-CG 4.44Å; L427-L430 HydrophobicContact CB-CD2 4.1Å; L427-L430 HydrophobicContact CD1-CD2 3.74Å; L430-K434 HydrophobicContact CD2-CB 4.29Å; L430-K434 HydrophobicContact CD2-CD 4.39Å; L430-L435 HydrophobicContact CB-CD1 4.25Å; L430-L435 HydrophobicContact CB-CD2 4.06Å; L430-L435 HydrophobicContact CB-CG 3.8Å; L430-L435 HydrophobicContact CD1-CD2 3.67Å; L430-L435 HydrophobicContact CD1-CG 4.35Å; L430-L435 HydrophobicContact CG-CD2 4.49Å; L430-V464 HydrophobicContact CD1-CB 4.2Å; L430-V464 HydrophobicContact CD1-CG1 3.81Å; L430-V464 HydrophobicContact CG-CG1 4.16Å; L430-H499 PolarHBondContact O-NE2 2.68Å; L430-H499 VanDerWaalsContact O-NE2 3.13Å
431S75Confident76.2Confident52 Ų5238.2 Ų38.236%0.36422%0.218SC..  trans-64.9152.616869.70000110.4A433 K434 L435S431-A433 PolarHBondContact O-N 2.89Å; S431-A433 VanDerWaalsContact O-N 3.13Å; S431-K434 PolarHBondContact O-N 2.83Å; S431-K434 PolarHBondContact OG-N 3.25Å; S431-L435 PolarHBondContact O-N 3.37Å
432I75Confident76.9Confident42 Ų4237 Ų3722%0.21521%0.212CC..Hα-helixtrans-52.5-35173.3-84.6138000112.4L435 S436 D495 K498 H499I432-L435 PolarHBondContact O-N 3.23Å; I432-S436 WeakPolarHBondContact O-CB 3.49Å; I432-S436 PolarHBondContact O-N 3.02Å; I432-S436 PolarHBondContact O-OG 3.14Å; I432-D495 HydrophobicContact CD1-CB 4Å; I432-K498 HydrophobicContact CD1-CB 3.49Å; I432-K498 VanDerWaalsContact CD1-CB 3.49Å; I432-K498 HydrophobicContact CD1-CD 3.88Å; I432-K498 HydrophobicContact CD1-CG 4.37Å; I432-K498 HydrophobicContact CG1-CB 3.89Å; I432-H499 WeakPolarHBondContact CD1-CE1 3.48Å; I432-H499 VanDerWaalsContact CD1-ND1 3.3Å; I432-H499 WeakPolarHBondContact CD1-ND1 3.14Å; I432-H499 WeakPolarHBondContact CG1-CE1 3.35Å; I432-H499 WeakPolarHBondContact CG1-ND1 3.23Å
433A73.4Confident77.6Confident16 Ų1634.8 Ų34.813%0.13220%0.198CC..Hα-helixtrans-64.6-50.3177.300000110.8C383 P385 S431 L435 S436 C437C383-A433 HydrophobicContact CB-CB 3.93Å; P385-A433 HydrophobicContact CB-CB 4.24Å; P385-A433 HydrophobicContact CG-CB 3.76Å; S431-A433 PolarHBondContact O-N 2.89Å; S431-A433 VanDerWaalsContact O-N 3.13Å; A433-L435 VanDerWaalsContact C-N 3.33Å; A433-L435 PolarHBondContact O-N 3.32Å; A433-S436 PolarHBondContact O-N 2.97Å; A433-C437 PolarHBondContact O-N 3.19Å; A433-C437 PolarHBondContact O-SG 3.46Å
434K77Confident78.3Confident13 Ų1332.8 Ų32.86%0.05719%0.189CC..Hα-helixtrans-59.1-42.1174.5-79.4179.6172.2166.30112.2H380 D381 L427 L430 S431 S436 C437 G438H380-K434 WeakPolarHBondContact O-CE 3.27Å; H380-K434 PolarHBondContact O-NZ 2.75Å; D381-K434 IonicContact OD1-NZ 2.82Å; D381-K434 PolarHBondContact OD1-NZ 2.76Å; L427-K434 HydrophobicContact CD1-CD 4.26Å; L430-K434 HydrophobicContact CD2-CB 4.29Å; L430-K434 HydrophobicContact CD2-CD 4.39Å; S431-K434 PolarHBondContact O-N 2.83Å; S431-K434 PolarHBondContact OG-N 3.25Å; K434-S436 VanDerWaalsContact C-N 3.27Å; K434-S436 PolarHBondContact O-N 3.43Å; K434-C437 PolarHBondContact O-N 2.8Å; K434-G438 PolarHBondContact O-N 2.93Å
435L79.4Confident79.1Confident6 Ų632.6 Ų32.63%0.03119%0.188CC..Hα-helixtrans-62.9-35.9174.8-74.7166.9000112.3L430 S431 I432 A433 Y439 M461 T465 H499 K502L430-L435 HydrophobicContact CB-CD1 4.25Å; L430-L435 HydrophobicContact CB-CD2 4.06Å; L430-L435 HydrophobicContact CB-CG 3.8Å; L430-L435 HydrophobicContact CD1-CD2 3.67Å; L430-L435 HydrophobicContact CD1-CG 4.35Å; L430-L435 HydrophobicContact CG-CD2 4.49Å; S431-L435 PolarHBondContact O-N 3.37Å; I432-L435 PolarHBondContact O-N 3.23Å; A433-L435 VanDerWaalsContact C-N 3.33Å; A433-L435 PolarHBondContact O-N 3.32Å; L435-Y439 WeakPolarHBondContact O-CB 3.42Å; L435-Y439 PolarHBondContact O-N 3.06Å; L435-M461 HydrophobicContact CB-CE 4.35Å; L435-M461 HydrophobicContact CD2-CB 4.26Å; L435-M461 HydrophobicContact CD2-CE 3.72Å; L435-M461 WeakPolarHBondContact O-CE 3.46Å; L435-T465 HydrophobicContact CD1-CG2 3.6Å; L435-T465 HydrophobicContact CD2-CG2 3.61Å; L435-T465 HydrophobicContact CG-CG2 4.21Å; L435-H499 WeakPolarHBondContact CD1-CD2 3.45Å; L435-K502 HydrophobicContact CB-CG 4.22Å; L435-K502 WeakPolarHBondContact O-CE 3.38Å
436S82.1Confident80.1Confident25 Ų2529.7 Ų29.718%0.17517%0.171CC..Hα-helixtrans-71.6-44.4178.4-62.90000112I432 A433 K434 Y439 E440I432-S436 WeakPolarHBondContact O-CB 3.49Å; I432-S436 PolarHBondContact O-N 3.02Å; I432-S436 PolarHBondContact O-OG 3.14Å; A433-S436 PolarHBondContact O-N 2.97Å; K434-S436 VanDerWaalsContact C-N 3.27Å; K434-S436 PolarHBondContact O-N 3.43Å; S436-Y439 PolarHBondContact O-N 2.88Å; S436-E440 PolarHBondContact O-N 3.39Å; S436-E440 VanDerWaalsContact O-N 3.1Å
437C81.4Confident81.1Confident4 Ų430.5 Ų30.53%0.02716%0.161CC..Hα-helixtrans-60.1-51.1172.6-64.60000111.5T389 L408 F412 A433 K434 Y439 E440 Y441T389-C437 HydrophobicContact CG2-CB 4.45Å; T389-C437 WeakPolarHBondContact CG2-SG 3.37Å; L408-C437 HydrophobicContact CD2-CB 4.45Å; F412-C437 HydrophobicContact CE1-CB 4.35Å; F412-C437 HydrophobicContact CE2-CB 3.8Å; F412-C437 HydrophobicContact CZ-CB 3.44Å; F412-C437 VanDerWaalsContact CZ-CB 3.44Å; A433-C437 PolarHBondContact O-N 3.19Å; A433-C437 PolarHBondContact O-SG 3.46Å; K434-C437 PolarHBondContact O-N 2.8Å; C437-Y439 VanDerWaalsContact C-N 3.28Å; C437-Y439 PolarHBondContact O-N 3.35Å; C437-E440 PolarHBondContact O-N 2.85Å; C437-E440 VanDerWaalsContact O-N 3.16Å; C437-Y441 WeakPolarHBondContact O-CB 3.41Å; C437-Y441 PolarHBondContact O-N 3.49Å
438G84.6Confident82.1Confident0 Ų034 Ų340%017%0.171CC..Hα-helixtrans-61.9-36-179.200000112.5K434 Y441 A442K434-G438 PolarHBondContact O-N 2.93Å; G438-Y441 WeakPolarHBondContact O-CB 3.3Å; G438-Y441 PolarHBondContact O-N 2.77Å; G438-A442 WeakPolarHBondContact O-CB 3.39Å; G438-A442 PolarHBondContact O-N 3.43Å
439Y88.1Confident83.3Confident16 Ų1627.7 Ų27.76%0.06315%0.154CC..Hα-helixtrans-67.8-40.7175.5179.3-94.7000112.6L435 S436 C437 K443 K505 S506 L509L435-Y439 WeakPolarHBondContact O-CB 3.42Å; L435-Y439 PolarHBondContact O-N 3.06Å; S436-Y439 PolarHBondContact O-N 2.88Å; C437-Y439 VanDerWaalsContact C-N 3.28Å; C437-Y439 PolarHBondContact O-N 3.35Å; Y439-K443 HydrophobicContact CD1-CD 4.46Å; Y439-K443 HydrophobicContact CE1-CD 4.1Å; Y439-K443 WeakPolarHBondContact O-CG 3.28Å; Y439-K443 PolarHBondContact O-N 2.72Å; Y439-K443 VanDerWaalsContact OH-CE 3.29Å; Y439-K443 WeakPolarHBondContact OH-CE 3.26Å; Y439-K443 PolarHBondContact OH-NZ 3.47Å; Y439-K505 HydrophobicContact CE2-CB 4.48Å; Y439-K505 PolarHBondContact OH-O 3.35Å; Y439-S506 WeakPolarHBondContact CD2-OG 3.05Å; Y439-L509 HydrophobicContact CD2-CD2 4.15Å; Y439-L509 HydrophobicContact CE2-CB 4.08Å; Y439-L509 HydrophobicContact CE2-CD2 3.56Å; Y439-L509 HydrophobicContact CE2-CG 4.46Å
440E88.2Confident84.6Confident6 Ų629.6 Ų29.63%0.02816%0.157CC..Hα-helixtrans-70.9-33.8172.6-71.1-59.115500111.9R393 R396 S436 C437 K443 A444R393-E440 IonicContact CZ-OE1 3.31Å; R393-E440 IonicContact NE-OE1 2.87Å; R393-E440 PolarHBondContact NE-OE1 3.39Å; R393-E440 IonicContact NH2-OE1 2.77Å; R396-E440 IonicContact CZ-OE2 2.98Å; R396-E440 IonicContact NE-OE2 3.44Å; R396-E440 PolarHBondContact NE-OE2 3.5Å; R396-E440 IonicContact NH2-OE2 2.67Å; R396-E440 PolarHBondContact NH2-OE2 3.43Å; S436-E440 PolarHBondContact O-N 3.39Å; S436-E440 VanDerWaalsContact O-N 3.1Å; C437-E440 PolarHBondContact O-N 2.85Å; C437-E440 VanDerWaalsContact O-N 3.16Å; E440-K443 PolarHBondContact O-N 2.93Å; E440-A444 PolarHBondContact O-N 2.94Å
441Y90Very high85.7Confident0 Ų032.3 Ų32.30%017%0.169CC..Hα-helixtrans-60-48.6174-164.7-96.5000111.7L405 L408 N409 F412 T417 V420 C437 G438 K443 A444 L445 L457L405-Y441 HydrophobicContact CD2-CD2 3.93Å; L405-Y441 HydrophobicContact CD2-CE1 4.38Å; L405-Y441 HydrophobicContact CD2-CE2 3.61Å; L405-Y441 HydrophobicContact CD2-CG 4.45Å; L408-Y441 HydrophobicContact CB-CD2 3.58Å; L408-Y441 HydrophobicContact CB-CE2 4.07Å; L408-Y441 HydrophobicContact CD1-CD2 3.79Å; L408-Y441 HydrophobicContact CD1-CG 4.41Å; L408-Y441 HydrophobicContact CG-CD2 4.31Å; N409-Y441 WeakPolarHBondContact OD1-CE2 3.3Å; N409-Y441 PolarHBondContact OD1-OH 3.45Å; F412-Y441 HydrophobicContact CE2-CD2 4.44Å; T417-Y441 WeakPolarHBondContact CA-OH 3.31Å; T417-Y441 WeakPolarHBondContact CG2-OH 3.42Å; V420-Y441 HydrophobicContact CB-CE1 4.13Å; V420-Y441 HydrophobicContact CG1-CD1 4.1Å; V420-Y441 HydrophobicContact CG1-CE1 3.93Å; V420-Y441 HydrophobicContact CG2-CE1 4.35Å; V420-Y441 HydrophobicContact CG2-CE2 4.32Å; C437-Y441 WeakPolarHBondContact O-CB 3.41Å; C437-Y441 PolarHBondContact O-N 3.49Å; G438-Y441 WeakPolarHBondContact O-CB 3.3Å; G438-Y441 PolarHBondContact O-N 2.77Å; Y441-K443 VanDerWaalsContact C-N 3.29Å; Y441-K443 PolarHBondContact O-N 2.92Å; Y441-A444 WeakPolarHBondContact O-CB 3.31Å; Y441-A444 PolarHBondContact O-N 3.4Å; Y441-A444 VanDerWaalsContact O-N 3.08Å; Y441-L445 HydrophobicContact CD1-CD1 3.58Å; Y441-L445 HydrophobicContact CD1-CG 3.87Å; Y441-L445 HydrophobicContact CE1-CD1 3.48Å; Y441-L445 VanDerWaalsContact CE1-CD1 3.48Å; Y441-L445 HydrophobicContact CE1-CD2 4.08Å; Y441-L445 HydrophobicContact CE1-CG 3.76Å; Y441-L445 WeakPolarHBondContact O-CG 3.33Å; Y441-L445 PolarHBondContact O-N 3.38Å; Y441-L457 HydrophobicContact CD1-CD2 3.72Å
442A91.3Very high86.2Confident0 Ų032.7 Ų32.70%017%0.172CC..Hα-helixtrans-59.6-40.5176.400000112.1G438 L445 Y446 A454 L457 V458 W513G438-A442 WeakPolarHBondContact O-CB 3.39Å; G438-A442 PolarHBondContact O-N 3.43Å; A442-L445 PolarHBondContact O-N 3.16Å; A442-Y446 WeakPolarHBondContact O-CB 3.31Å; A442-Y446 PolarHBondContact O-N 2.9Å; A442-A454 VanDerWaalsContact O-CB 3.27Å; A442-A454 WeakPolarHBondContact O-CB 3.48Å; A442-L457 HydrophobicContact CB-CD2 4.06Å; A442-L457 HydrophobicContact CB-CG 4.49Å; A442-V458 HydrophobicContact CB-CG2 3.34Å; A442-W513 HydrophobicContact CB-CH2 4.2Å
443K93.4Very high86.7Confident42 Ų4231.8 Ų31.818%0.18317%0.17CC..Hα-helixtrans-64.3-40.2174.4-72.2-177.4178.2-179.20112.3Y439 E440 Y441 Y446 Q447 L509Y439-K443 HydrophobicContact CD1-CD 4.46Å; Y439-K443 HydrophobicContact CE1-CD 4.1Å; Y439-K443 WeakPolarHBondContact O-CG 3.28Å; Y439-K443 PolarHBondContact O-N 2.72Å; Y439-K443 VanDerWaalsContact OH-CE 3.29Å; Y439-K443 WeakPolarHBondContact OH-CE 3.26Å; Y439-K443 PolarHBondContact OH-NZ 3.47Å; E440-K443 PolarHBondContact O-N 2.93Å; Y441-K443 VanDerWaalsContact C-N 3.29Å; Y441-K443 PolarHBondContact O-N 2.92Å; K443-Y446 PolarHBondContact O-N 2.84Å; K443-Q447 PolarHBondContact O-N 3.5Å; K443-Q447 VanDerWaalsContact O-N 3.17Å; K443-L509 HydrophobicContact CD-CD2 4.49Å; K443-L509 HydrophobicContact CG-CD2 3.88Å
444A91.6Very high87.5Confident0 Ų031 Ų310%016%0.164CC..Hα-helixtrans-64.2-45.5176.900000110.9R396 A404 L405 E440 Y441 Y446 Q447 Y448R396-A444 VanDerWaalsContact CD-CA 3.48Å; R396-A444 VanDerWaalsContact CD-N 3.33Å; R396-A444 HydrophobicContact CG-CB 4.48Å; A404-A444 HydrophobicContact CB-CB 4.35Å; L405-A444 HydrophobicContact CD2-CB 3.78Å; L405-A444 HydrophobicContact CG-CB 4.1Å; E440-A444 PolarHBondContact O-N 2.94Å; Y441-A444 WeakPolarHBondContact O-CB 3.31Å; Y441-A444 PolarHBondContact O-N 3.4Å; Y441-A444 VanDerWaalsContact O-N 3.08Å; A444-Y446 PolarHBondContact O-N 3.28Å; A444-Q447 PolarHBondContact O-N 2.92Å; A444-Y448 WeakPolarHBondContact O-CB 3.26Å; A444-Y448 PolarHBondContact O-N 2.95Å
445L91.2Very high88.1Confident0 Ų030.4 Ų30.40%016%0.161CC..Hα-helixtrans-58.7-45.3174.4-75.1179.2000112.8L405 T417 Y441 A442 Q447 Y448 G449 E450 A454 L457L405-L445 HydrophobicContact CD1-CD2 4.35Å; L405-L445 HydrophobicContact CD2-CD2 3.92Å; L405-L445 HydrophobicContact CD2-CG 4.12Å; T417-L445 HydrophobicContact CG2-CD2 3.57Å; Y441-L445 HydrophobicContact CD1-CD1 3.58Å; Y441-L445 HydrophobicContact CD1-CG 3.87Å; Y441-L445 HydrophobicContact CE1-CD1 3.48Å; Y441-L445 VanDerWaalsContact CE1-CD1 3.48Å; Y441-L445 HydrophobicContact CE1-CD2 4.08Å; Y441-L445 HydrophobicContact CE1-CG 3.76Å; Y441-L445 WeakPolarHBondContact O-CG 3.33Å; Y441-L445 PolarHBondContact O-N 3.38Å; A442-L445 PolarHBondContact O-N 3.16Å; L445-Q447 VanDerWaalsContact C-N 3.27Å; L445-Q447 PolarHBondContact O-N 3.13Å; L445-Y448 PolarHBondContact O-N 2.67Å; L445-G449 PolarHBondContact O-N 2.89Å; L445-E450 HydrophobicContact CD2-CB 4.47Å; L445-E450 PolarHBondContact O-N 2.82Å; L445-E450 VanDerWaalsContact O-N 3.07Å; L445-A454 HydrophobicContact CB-CB 3.89Å; L445-L457 HydrophobicContact CD1-CD2 4.37Å
446Y92.2Very high88.3Confident23 Ų2331.1 Ų31.19%0.0917%0.167CC..Hα-helixtrans-60.7-39.8179.6-172.6-91.1000111.7A442 K443 A444 K451 A454 W513 E516 Y517 F520A442-Y446 WeakPolarHBondContact O-CB 3.31Å; A442-Y446 PolarHBondContact O-N 2.9Å; K443-Y446 PolarHBondContact O-N 2.84Å; A444-Y446 PolarHBondContact O-N 3.28Å; Y446-K451 HydrophobicContact CD2-CB 3.8Å; Y446-K451 HydrophobicContact CD2-CD 4.37Å; Y446-K451 HydrophobicContact CD2-CG 3.89Å; Y446-K451 HydrophobicContact CE2-CB 3.79Å; Y446-K451 HydrophobicContact CE2-CD 3.84Å; Y446-K451 HydrophobicContact CE2-CG 3.85Å; Y446-K451 HydrophobicContact CG-CG 4.42Å; Y446-A454 HydrophobicContact CD2-CB 4.35Å; Y446-W513 HydrophobicContact CD1-CZ2 4.27Å; Y446-W513 AromaticContact CD1-NE1 3.63Å; Y446-W513 AromaticContact CD2-CD2 3.82Å; Y446-W513 HydrophobicContact CD2-CD2 3.82Å; Y446-W513 AromaticContact CD2-CE2 3.53Å; Y446-W513 HydrophobicContact CD2-CE3 4.31Å; Y446-W513 HydrophobicContact CD2-CG 4.18Å; Y446-W513 HydrophobicContact CD2-CH2 4.29Å; Y446-W513 AromaticContact CD2-CZ2 3.8Å; Y446-W513 HydrophobicContact CD2-CZ2 3.8Å; Y446-W513 AromaticContact CD2-NE1 3.73Å; Y446-W513 AromaticContact CE1-CD1 3.87Å; Y446-W513 AromaticContact CE1-NE1 3.59Å; Y446-W513 HydrophobicContact CE2-CB 4.35Å; Y446-W513 AromaticContact CE2-CD1 3.63Å; Y446-W513 AromaticContact CE2-CD2 3.89Å; Y446-W513 HydrophobicContact CE2-CD2 3.89Å; Y446-W513 AromaticContact CE2-CE2 3.88Å; Y446-W513 AromaticContact CE2-CG 3.75Å; Y446-W513 HydrophobicContact CE2-CG 3.75Å; Y446-W513 AromaticContact CE2-NE1 3.71Å; Y446-W513 HydrophobicContact CG-CD2 4.39Å; Y446-W513 AromaticContact CG-CE2 3.63Å; Y446-W513 HydrophobicContact CG-CH2 4.35Å; Y446-W513 AromaticContact CG-CZ2 3.62Å; Y446-W513 HydrophobicContact CG-CZ2 3.62Å; Y446-W513 AromaticContact CG-NE1 3.7Å; Y446-W513 AromaticContact CZ-CD1 3.48Å; Y446-W513 VanDerWaalsContact CZ-CD1 3.48Å; Y446-W513 AromaticContact CZ-NE1 3.63Å; Y446-E516 PolarHBondContact OH-OE2 3.45Å; Y446-Y517 WeakPolarHBondContact OH-CD2 3.34Å; Y446-F520 HydrophobicContact CE2-CE2 4.21Å; Y446-F520 HydrophobicContact CE2-CZ 4.22Å
447Q90.8Very high88.6Confident100 Ų10030 Ų3047%0.46716%0.158SC..Hα-helixtrans-76.6-31.7177-71.7-177.7-67.100113T401 K443 A444 L445 G449T401-Q447 HydrophobicContact CG2-CB 3.89Å; K443-Q447 PolarHBondContact O-N 3.5Å; K443-Q447 VanDerWaalsContact O-N 3.17Å; A444-Q447 PolarHBondContact O-N 2.92Å; L445-Q447 VanDerWaalsContact C-N 3.27Å; L445-Q447 PolarHBondContact O-N 3.13Å; Q447-G449 VanDerWaalsContact C-N 3.25Å; Q447-G449 PolarHBondContact O-N 2.79Å
448Y88.5Confident88.9Confident126 Ų12629.8 Ų29.849%0.49416%0.157SC..Hα-helixtrans-65.4-29.6173.8-173.1-102.1000112.2L405 A444 L445 E450L405-Y448 HydrophobicContact CD1-CD1 4.35Å; L405-Y448 HydrophobicContact CD1-CD2 4.04Å; L405-Y448 HydrophobicContact CD1-CG 3.89Å; A444-Y448 WeakPolarHBondContact O-CB 3.26Å; A444-Y448 PolarHBondContact O-N 2.95Å; L445-Y448 PolarHBondContact O-N 2.67Å; Y448-E450 HydrophobicContact CD1-CG 4.39Å
449G87.8Confident89Confident47 Ų4730 Ų3049%0.48516%0.158SC..THydrogen-bonded Turntrans129.5-12.4173.600000114.6L445 Q447 K451L445-G449 PolarHBondContact O-N 2.89Å; Q447-G449 VanDerWaalsContact C-N 3.25Å; Q447-G449 PolarHBondContact O-N 2.79Å; G449-K451 VanDerWaalsContact C-N 3.26Å; G449-K451 PolarHBondContact O-N 3.47Å
450E88.5Confident88.7Confident100 Ų10032.2 Ų32.247%0.46717%0.166SC..  trans-83.562.4-178.3-69.2-65.8168.900111.7L445 Y448 S452 A453 A454L445-E450 HydrophobicContact CD2-CB 4.47Å; L445-E450 PolarHBondContact O-N 2.82Å; L445-E450 VanDerWaalsContact O-N 3.07Å; Y448-E450 HydrophobicContact CD1-CG 4.39Å; E450-S452 PolarHBondContact O-N 3.4Å; E450-A453 HydrophobicContact CB-CB 4.32Å; E450-A453 PolarHBondContact O-N 2.96Å; E450-A454 WeakPolarHBondContact O-CB 3.39Å; E450-A454 PolarHBondContact O-N 2.89Å
451K89.5Confident88.5Confident60 Ų6032 Ų3226%0.26117%0.166SC..Hα-helixtrans-66.5-37-168.2-53.1-172.9-178.4-168.90114Y446 G449 A454 F455 Y517 F520Y446-K451 HydrophobicContact CD2-CB 3.8Å; Y446-K451 HydrophobicContact CD2-CD 4.37Å; Y446-K451 HydrophobicContact CD2-CG 3.89Å; Y446-K451 HydrophobicContact CE2-CB 3.79Å; Y446-K451 HydrophobicContact CE2-CD 3.84Å; Y446-K451 HydrophobicContact CE2-CG 3.85Å; Y446-K451 HydrophobicContact CG-CG 4.42Å; G449-K451 VanDerWaalsContact C-N 3.26Å; G449-K451 PolarHBondContact O-N 3.47Å; K451-A454 PolarHBondContact O-N 3.08Å; K451-F455 WeakPolarHBondContact O-CB 3.34Å; K451-F455 PolarHBondContact O-N 3.4Å; K451-Y517 HydrophobicContact CD-CD2 4.27Å; K451-Y517 HydrophobicContact CD-CE2 3.73Å; K451-Y517 VanDerWaalsContact NZ-CZ 3.27Å; K451-Y517 PolarHBondContact NZ-OH 2.92Å; K451-F520 HydrophobicContact CB-CE1 4.39Å; K451-F520 HydrophobicContact CB-CZ 3.83Å
452S86.6Confident88.2Confident61 Ų6132 Ų3243%0.42717%0.166SC..Hα-helixtrans-68.1-42178.953.50000112.1E450 F455 S456E450-S452 PolarHBondContact O-N 3.4Å; S452-F455 PolarHBondContact O-N 3.05Å; S452-S456 WeakPolarHBondContact O-CB 3.15Å; S452-S456 PolarHBondContact O-N 2.86Å; S452-S456 PolarHBondContact O-OG 3Å
453A86Confident87.7Confident22 Ų2232.6 Ų32.618%0.18217%0.169CC..Hα-helixtrans-64.7-43.3174.900000111I421 E450 F455 S456 L457I421-A453 HydrophobicContact CD1-CB 4.28Å; E450-A453 HydrophobicContact CB-CB 4.32Å; E450-A453 PolarHBondContact O-N 2.96Å; A453-F455 PolarHBondContact O-N 3.1Å; A453-S456 PolarHBondContact O-N 3.32Å; A453-L457 WeakPolarHBondContact O-CB 3.36Å; A453-L457 PolarHBondContact O-N 3.47Å
454A89.7Confident87Confident0 Ų031.9 Ų31.90%017%0.168CC..Hα-helixtrans-59-47.3175.300000112.7A442 L445 Y446 E450 K451 L457 V458 W513A442-A454 VanDerWaalsContact O-CB 3.27Å; A442-A454 WeakPolarHBondContact O-CB 3.48Å; L445-A454 HydrophobicContact CB-CB 3.89Å; Y446-A454 HydrophobicContact CD2-CB 4.35Å; E450-A454 WeakPolarHBondContact O-CB 3.39Å; E450-A454 PolarHBondContact O-N 2.89Å; K451-A454 PolarHBondContact O-N 3.08Å; A454-L457 PolarHBondContact O-N 3.33Å; A454-V458 PolarHBondContact O-N 3Å; A454-W513 HydrophobicContact CB-CH2 4.05Å; A454-W513 HydrophobicContact CB-CZ3 4.22Å
455F88.3Confident86.4Confident0 Ų032.4 Ų32.40%017%0.172CC..Hα-helixtrans-61.1-47.8177.3-172.4-82.3000111.2K451 S452 A453 L457 V458 Y459 L510 W513 M514 F520 I523 L524K451-F455 WeakPolarHBondContact O-CB 3.34Å; K451-F455 PolarHBondContact O-N 3.4Å; S452-F455 PolarHBondContact O-N 3.05Å; A453-F455 PolarHBondContact O-N 3.1Å; F455-L457 VanDerWaalsContact C-N 3.32Å; F455-L457 PolarHBondContact O-N 3.08Å; F455-V458 PolarHBondContact O-N 3.11Å; F455-Y459 WeakPolarHBondContact O-CB 3.3Å; F455-Y459 PolarHBondContact O-N 3.11Å; F455-L510 HydrophobicContact CD1-CD2 4.37Å; F455-L510 HydrophobicContact CD2-CD2 3.63Å; F455-L510 HydrophobicContact CE1-CD2 4.28Å; F455-L510 HydrophobicContact CE2-CB 4.25Å; F455-L510 HydrophobicContact CE2-CD2 3.53Å; F455-L510 HydrophobicContact CE2-CG 4.4Å; F455-L510 HydrophobicContact CG-CD2 4.05Å; F455-L510 HydrophobicContact CZ-CD2 3.87Å; F455-W513 HydrophobicContact CB-CE3 4.38Å; F455-W513 HydrophobicContact CD2-CB 4.27Å; F455-W513 HydrophobicContact CD2-CE3 4.08Å; F455-M514 HydrophobicContact CE2-CG 3.92Å; F455-M514 HydrophobicContact CZ-CG 4.22Å; F455-F520 HydrophobicContact CB-CD1 4.03Å; F455-F520 HydrophobicContact CB-CE1 4.09Å; F455-F520 HydrophobicContact CB-CG 4.44Å; F455-F520 HydrophobicContact CD1-CB 4.36Å; F455-F520 HydrophobicContact CD1-CD1 4.47Å; F455-F520 HydrophobicContact CD2-CB 3.75Å; F455-F520 HydrophobicContact CD2-CD1 4.02Å; F455-F520 AromaticContact CD2-CD2 3.72Å; F455-F520 HydrophobicContact CD2-CD2 3.72Å; F455-F520 HydrophobicContact CD2-CE2 4.3Å; F455-F520 AromaticContact CD2-CG 3.57Å; F455-F520 HydrophobicContact CD2-CG 3.57Å; F455-F520 HydrophobicContact CE1-CB 4.19Å; F455-F520 HydrophobicContact CE2-CB 3.55Å; F455-F520 HydrophobicContact CE2-CD2 4.1Å; F455-F520 AromaticContact CE2-CG 3.9Å; F455-F520 HydrophobicContact CE2-CG 3.9Å; F455-F520 HydrophobicContact CG-CB 4.16Å; F455-F520 AromaticContact CG-CD1 3.92Å; F455-F520 HydrophobicContact CG-CD1 3.92Å; F455-F520 HydrophobicContact CG-CD2 4.44Å; F455-F520 HydrophobicContact CG-CE1 4.44Å; F455-F520 AromaticContact CG-CG 3.93Å; F455-F520 HydrophobicContact CG-CG 3.93Å; F455-F520 HydrophobicContact CZ-CB 3.79Å; F455-I523 HydrophobicContact CD1-CB 4.14Å; F455-I523 HydrophobicContact CD1-CD1 4.44Å; F455-I523 HydrophobicContact CD1-CG2 3.92Å; F455-I523 HydrophobicContact CE1-CB 4.23Å; F455-I523 HydrophobicContact CE1-CG2 4.26Å; F455-L524 HydrophobicContact CE1-CG 3.96Å; F455-L524 HydrophobicContact CZ-CD1 3.98Å; F455-L524 HydrophobicContact CZ-CG 3.92Å
456S85.1Confident85.8Confident22 Ų2232.6 Ų32.615%0.15417%0.173CC..Hα-helixtrans-60.4-41.1179.6-58.30000112S452 A453 Y459 R460S452-S456 WeakPolarHBondContact O-CB 3.15Å; S452-S456 PolarHBondContact O-N 2.86Å; S452-S456 PolarHBondContact O-OG 3Å; A453-S456 PolarHBondContact O-N 3.32Å; S456-Y459 PolarHBondContact O-N 3.25Å; S456-R460 WeakPolarHBondContact O-CB 3.41Å; S456-R460 VanDerWaalsContact O-CG 3.26Å; S456-R460 WeakPolarHBondContact O-CG 3.15Å; S456-R460 PolarHBondContact O-N 2.83Å
457L87.1Confident85.1Confident0 Ų036 Ų360%019%0.19CC..Hα-helixtrans-62-48.9177.9179.962.2000111.7I421 F424 Y441 A442 L445 A453 A454 F455 Y459 R460 M461I421-L457 HydrophobicContact CG1-CD1 4.4Å; F424-L457 HydrophobicContact CB-CD1 4.2Å; F424-L457 HydrophobicContact CD2-CD1 3.71Å; F424-L457 HydrophobicContact CE2-CD1 4.28Å; F424-L457 HydrophobicContact CG-CD1 3.96Å; Y441-L457 HydrophobicContact CD1-CD2 3.72Å; A442-L457 HydrophobicContact CB-CD2 4.06Å; A442-L457 HydrophobicContact CB-CG 4.49Å; L445-L457 HydrophobicContact CD1-CD2 4.37Å; A453-L457 WeakPolarHBondContact O-CB 3.36Å; A453-L457 PolarHBondContact O-N 3.47Å; A454-L457 PolarHBondContact O-N 3.33Å; F455-L457 VanDerWaalsContact C-N 3.32Å; F455-L457 PolarHBondContact O-N 3.08Å; L457-Y459 VanDerWaalsContact C-N 3.33Å; L457-Y459 PolarHBondContact O-N 2.72Å; L457-R460 PolarHBondContact O-N 3.37Å; L457-M461 HydrophobicContact CG-SD 4.19Å; L457-M461 VanDerWaalsContact O-CG 3.23Å; L457-M461 WeakPolarHBondContact O-CG 3.39Å; L457-M461 PolarHBondContact O-N 3.35Å
458V88.4Confident84.3Confident0 Ų036 Ų360%019%0.188CC..Hα-helixtrans-63.2-42.6178.91770000111A442 A454 F455 M461 I462 L509 L510 W513A442-V458 HydrophobicContact CB-CG2 3.34Å; A454-V458 PolarHBondContact O-N 3Å; F455-V458 PolarHBondContact O-N 3.11Å; V458-M461 PolarHBondContact O-N 2.89Å; V458-I462 HydrophobicContact CG1-CD1 4.11Å; V458-I462 WeakPolarHBondContact O-CG1 3.02Å; V458-I462 PolarHBondContact O-N 2.68Å; V458-L509 HydrophobicContact CG2-CD2 4.2Å; V458-L510 HydrophobicContact CB-CD2 3.83Å; V458-L510 HydrophobicContact CB-CG 4.41Å; V458-L510 HydrophobicContact CG1-CD1 4.33Å; V458-L510 HydrophobicContact CG1-CD2 3.73Å; V458-L510 HydrophobicContact CG1-CG 3.76Å; V458-W513 HydrophobicContact CB-CZ3 4.4Å; V458-W513 HydrophobicContact CG2-CH2 4.06Å; V458-W513 HydrophobicContact CG2-CZ3 3.77Å
459Y86.1Confident83.4Confident6 Ų631.8 Ų31.82%0.02417%0.173CC..Hα-helixtrans-62-44.1177.8177-116.2000112.2F455 S456 L457 M461 I462 C463 L510 L524 N527 F532F455-Y459 WeakPolarHBondContact O-CB 3.3Å; F455-Y459 PolarHBondContact O-N 3.11Å; S456-Y459 PolarHBondContact O-N 3.25Å; L457-Y459 VanDerWaalsContact C-N 3.33Å; L457-Y459 PolarHBondContact O-N 2.72Å; Y459-M461 PolarHBondContact O-N 3.17Å; Y459-I462 WeakPolarHBondContact O-CB 3.39Å; Y459-I462 PolarHBondContact O-N 2.99Å; Y459-C463 PolarHBondContact O-N 2.97Å; Y459-C463 PolarHBondContact O-SG 3.24Å; Y459-L510 HydrophobicContact CD2-CD1 4.37Å; Y459-L524 HydrophobicContact CD2-CD2 3.49Å; Y459-L524 VanDerWaalsContact CD2-CD2 3.49Å; Y459-L524 HydrophobicContact CE2-CD2 3.35Å; Y459-L524 HydrophobicContact CG-CD2 4.26Å; Y459-N527 HydrophobicContact CE1-CB 4.14Å; Y459-N527 WeakPolarHBondContact CE1-O 3.25Å; Y459-F532 HydrophobicContact CD2-CE1 4.36Å; Y459-F532 AromaticContact CE2-CD1 3.61Å; Y459-F532 HydrophobicContact CE2-CD1 3.61Å; Y459-F532 AromaticContact CE2-CE1 3.72Å; Y459-F532 HydrophobicContact CE2-CE1 3.72Å
460R81.9Confident82.4Confident62 Ų6237.8 Ų37.823%0.23419%0.185CC..Hα-helixtrans-62.4-43.1175-74.5172.1177.6-159-0.5112.4D425 S456 L457 I462 C463 V464D425-R460 WeakPolarHBondContact OD1-CD 3.46Å; D425-R460 IonicContact OD1-CZ 3.69Å; D425-R460 IonicContact OD1-NE 3.74Å; D425-R460 IonicContact OD1-NH1 3.29Å; D425-R460 PolarHBondContact OD1-NH1 3Å; D425-R460 IonicContact OD2-CZ 3.06Å; D425-R460 IonicContact OD2-NH1 2.63Å; D425-R460 PolarHBondContact OD2-NH1 3.25Å; D425-R460 IonicContact OD2-NH2 3.37Å; S456-R460 WeakPolarHBondContact O-CB 3.41Å; S456-R460 VanDerWaalsContact O-CG 3.26Å; S456-R460 WeakPolarHBondContact O-CG 3.15Å; S456-R460 PolarHBondContact O-N 2.83Å; L457-R460 PolarHBondContact O-N 3.37Å; R460-I462 VanDerWaalsContact C-N 3.25Å; R460-I462 PolarHBondContact O-N 3.23Å; R460-C463 PolarHBondContact O-N 3.39Å; R460-C463 VanDerWaalsContact O-N 3.11Å; R460-V464 WeakPolarHBondContact O-CG2 3.22Å; R460-V464 PolarHBondContact O-N 3.08Å
461M84.1Confident81Confident2 Ų233.7 Ų33.71%0.0117%0.166CC..Hα-helixtrans-58-39.3175.1-69.8167.867.100112.1F424 L435 L457 V458 Y459 T465F424-M461 HydrophobicContact CD1-CG 3.8Å; F424-M461 HydrophobicContact CE1-CE 4.4Å; F424-M461 HydrophobicContact CE1-CG 3.86Å; F424-M461 HydrophobicContact CE1-SD 4.29Å; L435-M461 HydrophobicContact CB-CE 4.35Å; L435-M461 HydrophobicContact CD2-CB 4.26Å; L435-M461 HydrophobicContact CD2-CE 3.72Å; L435-M461 WeakPolarHBondContact O-CE 3.46Å; L457-M461 HydrophobicContact CG-SD 4.19Å; L457-M461 VanDerWaalsContact O-CG 3.23Å; L457-M461 WeakPolarHBondContact O-CG 3.39Å; L457-M461 PolarHBondContact O-N 3.35Å; V458-M461 PolarHBondContact O-N 2.89Å; Y459-M461 PolarHBondContact O-N 3.17Å; M461-T465 WeakPolarHBondContact O-CB 3.3Å; M461-T465 WeakPolarHBondContact O-CG2 3.43Å; M461-T465 PolarHBondContact O-N 3.23Å; M461-T465 VanDerWaalsContact O-N 3.16Å; M461-T465 PolarHBondContact O-OG1 3.15Å
462I84.4Confident79.2Confident0 Ų033.1 Ų33.10%017%0.169CC..Hα-helixtrans-64-48174.5-69.5164.8000110.2V458 Y459 R460 V464 T465 V466 L503 L507 L510 F532V458-I462 HydrophobicContact CG1-CD1 4.11Å; V458-I462 WeakPolarHBondContact O-CG1 3.02Å; V458-I462 PolarHBondContact O-N 2.68Å; Y459-I462 WeakPolarHBondContact O-CB 3.39Å; Y459-I462 PolarHBondContact O-N 2.99Å; R460-I462 VanDerWaalsContact C-N 3.25Å; R460-I462 PolarHBondContact O-N 3.23Å; I462-V464 PolarHBondContact O-N 2.98Å; I462-T465 WeakPolarHBondContact CA-OG1 3.47Å; I462-T465 PolarHBondContact O-N 3.14Å; I462-T465 PolarHBondContact O-OG1 2.95Å; I462-V466 HydrophobicContact CG2-CG2 4.28Å; I462-V466 WeakPolarHBondContact O-CB 3.5Å; I462-V466 VanDerWaalsContact O-CG2 3.24Å; I462-V466 WeakPolarHBondContact O-CG2 3.33Å; I462-V466 PolarHBondContact O-N 3.2Å; I462-L503 HydrophobicContact CB-CD1 4.06Å; I462-L503 HydrophobicContact CG1-CD1 3.94Å; I462-L503 HydrophobicContact CG2-CD1 3.91Å; I462-L507 HydrophobicContact CD1-CD2 3.94Å; I462-L507 HydrophobicContact CD1-CG 4.22Å; I462-L507 HydrophobicContact CG2-CD2 4.39Å; I462-L510 HydrophobicContact CD1-CD1 3.44Å; I462-L510 VanDerWaalsContact CD1-CD1 3.44Å; I462-L510 HydrophobicContact CD1-CG 4.16Å; I462-F532 HydrophobicContact CG2-CD2 3.68Å; I462-F532 HydrophobicContact CG2-CE2 3.51Å; I462-F532 HydrophobicContact CG2-CG 4.34Å; I462-F532 HydrophobicContact CG2-CZ 4.05Å
463C80.4Confident77.3Confident12 Ų1237.5 Ų37.58%0.08118%0.183CC..Hα-helixtrans-58.8-50.5-179.9-64.60000112.1Y459 R460 T465 V466 E467 S529Y459-C463 PolarHBondContact O-N 2.97Å; Y459-C463 PolarHBondContact O-SG 3.24Å; R460-C463 PolarHBondContact O-N 3.39Å; R460-C463 VanDerWaalsContact O-N 3.11Å; C463-T465 VanDerWaalsContact C-N 3.32Å; C463-T465 PolarHBondContact O-N 3.35Å; C463-V466 PolarHBondContact O-N 2.91Å; C463-E467 WeakPolarHBondContact O-CB 2.98Å; C463-E467 WeakPolarHBondContact O-CG 3.44Å; C463-E467 PolarHBondContact O-N 3.44Å; C463-S529 VanDerWaalsContact SG-CB 3.52Å
464V79.5Confident75.4Confident26 Ų2640.2 Ų40.216%0.15820%0.2CC..Hα-helixtrans-60-42180172.50000111.5L427 L430 R460 I462 F468L427-V464 WeakPolarHBondContact O-CG1 3.34Å; L430-V464 HydrophobicContact CD1-CB 4.2Å; L430-V464 HydrophobicContact CD1-CG1 3.81Å; L430-V464 HydrophobicContact CG-CG1 4.16Å; R460-V464 WeakPolarHBondContact O-CG2 3.22Å; R460-V464 PolarHBondContact O-N 3.08Å; I462-V464 PolarHBondContact O-N 2.98Å; V464-F468 WeakPolarHBondContact O-CB 3.26Å; V464-F468 PolarHBondContact O-N 2.86Å
465T78.9Confident73.6Confident12 Ų1242 Ų427%0.07421%0.21CC..Hα-helixtrans-70.5-38.8179.543.50000112.8L435 M461 I462 C463 F468 F469 L503L435-T465 HydrophobicContact CD1-CG2 3.6Å; L435-T465 HydrophobicContact CD2-CG2 3.61Å; L435-T465 HydrophobicContact CG-CG2 4.21Å; M461-T465 WeakPolarHBondContact O-CB 3.3Å; M461-T465 WeakPolarHBondContact O-CG2 3.43Å; M461-T465 PolarHBondContact O-N 3.23Å; M461-T465 VanDerWaalsContact O-N 3.16Å; M461-T465 PolarHBondContact O-OG1 3.15Å; I462-T465 WeakPolarHBondContact CA-OG1 3.47Å; I462-T465 PolarHBondContact O-N 3.14Å; I462-T465 PolarHBondContact O-OG1 2.95Å; C463-T465 VanDerWaalsContact C-N 3.32Å; C463-T465 PolarHBondContact O-N 3.35Å; T465-F468 PolarHBondContact O-N 3.43Å; T465-F469 VanDerWaalsContact O-CD2 3.31Å; T465-F469 WeakPolarHBondContact O-CD2 3.42Å; T465-F469 PolarHBondContact O-N 3.02Å; T465-L503 WeakPolarHBondContact OG1-CD1 3.46Å
466V77.8Confident71.2Confident4 Ų449.4 Ų49.42%0.02425%0.248CC..Hα-helixtrans-64.7-43.6176.1167.30000111.2I462 C463 K470 L471 L503 V531 F532 Y535I462-V466 HydrophobicContact CG2-CG2 4.28Å; I462-V466 WeakPolarHBondContact O-CB 3.5Å; I462-V466 VanDerWaalsContact O-CG2 3.24Å; I462-V466 WeakPolarHBondContact O-CG2 3.33Å; I462-V466 PolarHBondContact O-N 3.2Å; C463-V466 PolarHBondContact O-N 2.91Å; V466-K470 PolarHBondContact O-N 3.48Å; V466-L471 HydrophobicContact CB-CD1 4.31Å; V466-L471 HydrophobicContact CG1-CD1 4.12Å; V466-L471 HydrophobicContact CG2-CD1 3.99Å; V466-L503 HydrophobicContact CG2-CD1 4.27Å; V466-L503 HydrophobicContact CG2-CD2 4Å; V466-V531 HydrophobicContact CG1-CB 4.38Å; V466-V531 HydrophobicContact CG1-CG1 3.73Å; V466-F532 HydrophobicContact CG2-CD2 4.26Å; V466-Y535 HydrophobicContact CG1-CD2 4.06Å; V466-Y535 HydrophobicContact CG1-CE2 4.06Å
467E77.4Confident68.9Low95 Ų9549.9 Ų49.944%0.44426%0.256SS..Hα-helixtrans-64.7-40.1177.4-75178.6-169.700112.4C463 S529 V531C463-E467 WeakPolarHBondContact O-CB 2.98Å; C463-E467 WeakPolarHBondContact O-CG 3.44Å; C463-E467 PolarHBondContact O-N 3.44Å; E467-S529 WeakPolarHBondContact OE1-CB 3.25Å; E467-S529 PolarHBondContact OE1-OG 3.44Å; E467-V531 HydrophobicContact CG-CB 4.42Å; E467-V531 HydrophobicContact CG-CG2 4.23Å
468F74Confident66.6Low99 Ų9959.1 Ų59.143%0.43430%0.3SS..Hα-helixtrans-62.3-46.9179.2178.4-101.2000112.7C429 V464 T465 K470C429-F468 HydrophobicContact CB-CD2 3.7Å; C429-F468 HydrophobicContact CB-CE2 3.58Å; C429-F468 HydrophobicContact CB-CG 4.47Å; C429-F468 HydrophobicContact CB-CZ 4.25Å; C429-F468 WeakPolarHBondContact SG-CE2 3.12Å; C429-F468 WeakPolarHBondContact SG-CZ 3.33Å; V464-F468 WeakPolarHBondContact O-CB 3.26Å; V464-F468 PolarHBondContact O-N 2.86Å; T465-F468 PolarHBondContact O-N 3.43Å; F468-K470 VanDerWaalsContact C-N 3.34Å; F468-K470 PolarHBondContact O-N 2.9Å
469F70.8Confident64.2Low38 Ų3864.3 Ų64.317%0.16733%0.327CS..Hα-helixtrans-81.5-9.7-174.5-76.3-68.2000114.4T465 L471 Y496 H499 M500T465-F469 VanDerWaalsContact O-CD2 3.31Å; T465-F469 WeakPolarHBondContact O-CD2 3.42Å; T465-F469 PolarHBondContact O-N 3.02Å; F469-L471 VanDerWaalsContact C-N 3.29Å; F469-L471 PolarHBondContact O-N 3.09Å; F469-Y496 HydrophobicContact CB-CE2 4.3Å; F469-Y496 AromaticContact CD1-CD2 3.53Å; F469-Y496 HydrophobicContact CD1-CD2 3.53Å; F469-Y496 AromaticContact CD1-CE2 3.88Å; F469-Y496 HydrophobicContact CD1-CE2 3.88Å; F469-Y496 AromaticContact CE1-CD2 3.71Å; F469-Y496 HydrophobicContact CE1-CD2 3.71Å; F469-Y496 HydrophobicContact CE1-CE2 4.48Å; F469-Y496 HydrophobicContact CG-CD2 4.14Å; F469-Y496 HydrophobicContact CG-CE2 4.12Å; F469-Y496 HydrophobicContact CZ-CD2 4.46Å; F469-H499 HydrophobicContact CE2-CB 3.56Å; F469-H499 AromaticContact CE2-CD2 3.73Å; F469-H499 AromaticContact CE2-CG 3.59Å; F469-H499 HydrophobicContact CZ-CB 3.86Å; F469-H499 AromaticContact CZ-CD2 3.94Å; F469-H499 AromaticContact CZ-CG 3.61Å; F469-H499 AromaticContact CZ-ND1 3.74Å; F469-M500 HydrophobicContact CB-CE 3.95Å; F469-M500 HydrophobicContact CD2-CE 3.71Å; F469-M500 HydrophobicContact CE2-CE 4.44Å; F469-M500 HydrophobicContact CG-CE 3.85Å
470K65.3Low62.1Low172 Ų17266.4 Ų66.475%0.74834%0.341SS*.THydrogen-bonded Turntrans41.158.7-174.3-67.9-174178.1-178.60111.4V466 F468V466-K470 PolarHBondContact O-N 3.48Å; F468-K470 VanDerWaalsContact C-N 3.34Å; F468-K470 PolarHBondContact O-N 2.9Å
471L59.2Low60.2Low14 Ų1469.3 Ų69.37%0.07336%0.36CS..  trans-46.8141.8178.7-78.4147.4000109.9V466 F469 Y496 M500 Y535 L566V466-L471 HydrophobicContact CB-CD1 4.31Å; V466-L471 HydrophobicContact CG1-CD1 4.12Å; V466-L471 HydrophobicContact CG2-CD1 3.99Å; F469-L471 VanDerWaalsContact C-N 3.29Å; F469-L471 PolarHBondContact O-N 3.09Å; L471-Y496 WeakPolarHBondContact CD2-OH 3.46Å; L471-M500 HydrophobicContact CD1-CE 4.27Å; L471-M500 HydrophobicContact CD2-CE 3.88Å; L471-M500 HydrophobicContact CD2-SD 4.06Å; L471-M500 HydrophobicContact CG-CE 4.2Å; L471-Y535 HydrophobicContact CB-CE1 4.43Å; L471-Y535 HydrophobicContact CB-CE2 4.01Å; L471-Y535 WeakPolarHBondContact CB-OH 3.39Å; L471-Y535 PolarHBondContact O-OH 3.47Å; L471-L566 HydrophobicContact CD1-CD2 4.12Å; L471-L566 HydrophobicContact CD2-CD2 3.88Å
472P52.1Low58.1Low49 Ų4975.5 Ų75.532%0.31839%0.389SS..  trans-74.1146.5-177.526.2-30.5000112.1S474 Y535P472-S474 PolarHBondContact O-N 2.98Å; P472-Y535 PolarHBondContact O-OH 2.87Å
473E45.8Very low56Low153 Ų15381 Ų8172%0.71541%0.414SS*.SBendtrans-59.3-10-175-65.9-168.5130.400115.3K534E473-K534 IonicContact OE1-NZ 2.81Å; E473-K534 PolarHBondContact OE1-NZ 3.32Å
474S46.8Very low54.1Low78 Ų7880.9 Ų80.955%0.54542%0.415SS..  trans-140109.8169.569.40000110P472 L476P472-S474 PolarHBondContact O-N 2.98Å; S474-L476 PolarHBondContact O-N 3.41Å
475L51.3Low52Low39 Ų3983.2 Ų83.220%0.20444%0.437CS..THydrogen-bonded Turntrans-6710.9170.4-79.8158.1000113.3L562 R565 L566L475-L562 HydrophobicContact CD1-CD1 4.37Å; L475-R565 HydrophobicContact CD1-CB 4.35Å; L475-L566 HydrophobicContact CD1-CD2 4.3Å; L475-L566 HydrophobicContact CD2-CD2 4.46Å
476L38.3Very low50.3Low155 Ų15591.6 Ų91.681%0.81247%0.472SS*.THydrogen-bonded Turntrans-89.8-1.7-174.5-78.9164.3000114.5S474S474-L476 PolarHBondContact O-N 3.41Å
477G37.5Very low48.5Very low31 Ų3197.3 Ų97.332%0.3250%0.502SS..  trans-97.5131.2174.300000112.2D479G477-D479 PolarHBondContact O-N 2.93Å
478Q39.4Very low46.6Very low194 Ų19496.1 Ų96.191%0.90752%0.516SS*.G310 helixtrans-62.84.3169.8-78.5-178.3-26.600113.8V480Q478-V480 VanDerWaalsContact C-N 3.31Å; Q478-V480 PolarHBondContact O-N 2.9Å
479D36.2Very low45.2Very low109 Ų10993.9 Ų93.958%0.58351%0.512SS*.G310 helixtrans-879.1-174.9-55.4-31.6000113.8G477 I481 E482G477-D479 PolarHBondContact O-N 2.93Å; D479-I481 PolarHBondContact O-N 3.25Å; D479-E482 PolarHBondContact O-N 3.46Å
480V43.1Very low44.2Very low50 Ų5096.4 Ų96.430%0.30354%0.54SS..G310 helixtrans-64.7-10.4179-1790000112.7Q478 Y496Q478-V480 VanDerWaalsContact C-N 3.31Å; Q478-V480 PolarHBondContact O-N 2.9Å; V480-Y496 HydrophobicContact CG1-CE1 3.79Å
481I42.4Very low43.5Very low124 Ų12492.9 Ų92.964%0.63653%0.533SS*.G310 helixtrans-78.6-23.8170.2-58.8178.8000111.7D479 G484D479-I481 PolarHBondContact O-N 3.25Å; I481-G484 PolarHBondContact O-N 3.37Å
482E40Very low43.3Very low132 Ų13293.2 Ų93.262%0.61754%0.538SS*.Hα-helixtrans-80.6-18.1-175.6-66.3-163.7154.500114.1D479 G484 A485 F486D479-E482 PolarHBondContact O-N 3.46Å; E482-G484 VanDerWaalsContact C-N 3.3Å; E482-G484 PolarHBondContact O-N 2.9Å; E482-A485 WeakPolarHBondContact O-CA 3.44Å; E482-A485 VanDerWaalsContact O-CB 3.23Å; E482-A485 WeakPolarHBondContact O-CB 3.49Å; E482-A485 PolarHBondContact O-N 3.33Å; E482-F486 PolarHBondContact O-N 3.49Å
483H40.5Very low43.4Very low115 Ų11592.7 Ų92.753%0.53254%0.538SS..Hα-helixtrans-73.7-20.6172.7-89.236.3000113.7A485 F486H483-A485 PolarHBondContact O-N 2.84Å; H483-F486 PolarHBondContact O-N 3.01Å
484G39.6Very low44Very low9 Ų988.4 Ų88.49%0.09352%0.524CS..Hα-helixtrans-65.9-28.3164.100000112.4I481 E482 F486 L487I481-G484 PolarHBondContact O-N 3.37Å; E482-G484 VanDerWaalsContact C-N 3.3Å; E482-G484 PolarHBondContact O-N 2.9Å; G484-F486 VanDerWaalsContact C-N 3.34Å; G484-L487 PolarHBondContact O-N 3.1Å
485A36.3Very low45Very low75 Ų7587.9 Ų87.962%0.6252%0.515SS*.Hα-helixtrans-74.5-23.4177.400000112.7E482 H483 L487 G488E482-A485 WeakPolarHBondContact O-CA 3.44Å; E482-A485 VanDerWaalsContact O-CB 3.23Å; E482-A485 WeakPolarHBondContact O-CB 3.49Å; E482-A485 PolarHBondContact O-N 3.33Å; H483-A485 PolarHBondContact O-N 2.84Å; A485-L487 PolarHBondContact O-N 3.02Å; A485-G488 PolarHBondContact O-N 2.91Å
486F42.1Very low46Very low188 Ų18888 Ų8883%0.82551%0.513SS*.THydrogen-bonded Turntrans-67.8-18.5172.6-149.9-92.9000112.8E482 H483 G484E482-F486 PolarHBondContact O-N 3.49Å; H483-F486 PolarHBondContact O-N 3.01Å; G484-F486 VanDerWaalsContact C-N 3.34Å
487L40.8Very low47.7Very low125 Ų12588.2 Ų88.265%0.65450%0.503SS*.THydrogen-bonded Turntrans-99.16.1175.5-77.1163.2000114.2G484 A485 S489 A492G484-L487 PolarHBondContact O-N 3.1Å; A485-L487 PolarHBondContact O-N 3.02Å; L487-S489 PolarHBondContact O-N 3.21Å; L487-A492 HydrophobicContact CB-CB 3.79Å; L487-A492 HydrophobicContact CD1-CB 4.46Å
488G37.7Very low49.7Very low70 Ų7091.8 Ų91.872%0.72251%0.51SS*.THydrogen-bonded Turntrans72.79.4162.500000118A485A485-G488 PolarHBondContact O-N 2.91Å
489S43.2Very low51.7Low52 Ų5283.4 Ų83.436%0.36447%0.471SS..SBendtrans-153.1154.8173.485.70000115.1L487 T491 A492L487-S489 PolarHBondContact O-N 3.21Å; S489-T491 PolarHBondContact O-N 3.31Å; S489-T491 PolarHBondContact OG-N 3.35Å; S489-T491 PolarHBondContact OG-OG1 2.84Å; S489-A492 PolarHBondContact O-N 3.01Å; S489-A492 PolarHBondContact OG-N 3.4Å
490A49.7Very low53.9Low90 Ų9078.5 Ų78.574%0.74444%0.444SS*.Hα-helixtrans-63.9-23.7174.100000113.6C494A490-C494 PolarHBondContact O-N 3.38Å
491T52.5Low55.8Low98 Ų9878.2 Ų78.260%0.60144%0.441SS*.Hα-helixtrans-70.6-40176.652.60000111.3S489 A493 C494 D495S489-T491 PolarHBondContact O-N 3.31Å; S489-T491 PolarHBondContact OG-N 3.35Å; S489-T491 PolarHBondContact OG-OG1 2.84Å; T491-A493 VanDerWaalsContact C-N 3.35Å; T491-A493 PolarHBondContact O-N 2.85Å; T491-C494 WeakPolarHBondContact O-CB 3.09Å; T491-C494 PolarHBondContact O-N 3.27Å; T491-D495 PolarHBondContact O-N 3.18Å
492A53.2Low57.8Low22 Ų2273.3 Ų73.318%0.18242%0.415CS..Hα-helixtrans-63.2-38.1177.600000112.8L487 S489 D495 Y496L487-A492 HydrophobicContact CB-CB 3.79Å; L487-A492 HydrophobicContact CD1-CB 4.46Å; S489-A492 PolarHBondContact O-N 3.01Å; S489-A492 PolarHBondContact OG-N 3.4Å; A492-D495 PolarHBondContact O-N 3.46Å; A492-Y496 PolarHBondContact O-N 3.49Å
493A54.2Low60Low38 Ų3867.3 Ų67.331%0.31439%0.387SS..Hα-helixtrans-67.2-36.6175.900000113T491 R497T491-A493 VanDerWaalsContact C-N 3.35Å; T491-A493 PolarHBondContact O-N 2.85Å; A493-R497 PolarHBondContact O-N 3.34Å
494C59Low62.1Low63 Ų6361.9 Ų61.943%0.42636%0.362SS..Hα-helixtrans-65.4-42.6174.7-173.40000111.2A490 T491 R497 K498A490-C494 PolarHBondContact O-N 3.38Å; T491-C494 WeakPolarHBondContact O-CB 3.09Å; T491-C494 PolarHBondContact O-N 3.27Å; C494-R497 PolarHBondContact O-N 2.98Å; C494-K498 WeakPolarHBondContact O-CG 3.43Å; C494-K498 PolarHBondContact O-N 3.25Å; C494-K498 VanDerWaalsContact O-N 3.12Å
495D67.7Low64.5Low67 Ų6764.9 Ų64.936%0.35837%0.372SS..Hα-helixtrans-66.6-42.8177.6-71-25.8000111.4I432 T491 A492 R497 K498 H499I432-D495 HydrophobicContact CD1-CB 4Å; T491-D495 PolarHBondContact O-N 3.18Å; A492-D495 PolarHBondContact O-N 3.46Å; D495-R497 VanDerWaalsContact C-N 3.32Å; D495-R497 PolarHBondContact O-N 3.34Å; D495-K498 PolarHBondContact O-N 3.1Å; D495-K498 VanDerWaalsContact O-N 3.16Å; D495-H499 PolarHBondContact O-N 3.27Å; D495-H499 PolarHBondContact O-ND1 3.29Å
496Y72.6Confident67Low41 Ų4161.5 Ų61.516%0.16134%0.344CS..Hα-helixtrans-52.8-49.2173.7178.8-93000112.2F469 L471 V480 A492 K498 H499 M500F469-Y496 HydrophobicContact CB-CE2 4.3Å; F469-Y496 AromaticContact CD1-CD2 3.53Å; F469-Y496 HydrophobicContact CD1-CD2 3.53Å; F469-Y496 AromaticContact CD1-CE2 3.88Å; F469-Y496 HydrophobicContact CD1-CE2 3.88Å; F469-Y496 AromaticContact CE1-CD2 3.71Å; F469-Y496 HydrophobicContact CE1-CD2 3.71Å; F469-Y496 HydrophobicContact CE1-CE2 4.48Å; F469-Y496 HydrophobicContact CG-CD2 4.14Å; F469-Y496 HydrophobicContact CG-CE2 4.12Å; F469-Y496 HydrophobicContact CZ-CD2 4.46Å; L471-Y496 WeakPolarHBondContact CD2-OH 3.46Å; V480-Y496 HydrophobicContact CG1-CE1 3.79Å; A492-Y496 PolarHBondContact O-N 3.49Å; Y496-K498 VanDerWaalsContact C-N 3.33Å; Y496-K498 PolarHBondContact O-N 3.33Å; Y496-H499 PolarHBondContact O-N 2.91Å; Y496-M500 HydrophobicContact CD1-CG 4.09Å; Y496-M500 HydrophobicContact CD2-CE 4.14Å; Y496-M500 HydrophobicContact CE1-CG 3.61Å; Y496-M500 HydrophobicContact CE2-CE 3.44Å; Y496-M500 VanDerWaalsContact CE2-CE 3.44Å; Y496-M500 HydrophobicContact CE2-CG 4.18Å; Y496-M500 WeakPolarHBondContact O-CG 2.98Å; Y496-M500 PolarHBondContact O-N 3.29Å
497R75.1Confident69.3Low160 Ų16052.6 Ų52.660%0.60431%0.305SS*.Hα-helixtrans-61.3-41.2179.5-172.1177.7-63177.20.9112.2A493 C494 D495 M500 N501A493-R497 PolarHBondContact O-N 3.34Å; C494-R497 PolarHBondContact O-N 2.98Å; D495-R497 VanDerWaalsContact C-N 3.32Å; D495-R497 PolarHBondContact O-N 3.34Å; R497-M500 PolarHBondContact O-N 3.05Å; R497-N501 WeakPolarHBondContact O-CB 3.32Å; R497-N501 PolarHBondContact O-N 3.27Å
498K79.1Confident71.6Confident105 Ų10547.5 Ų47.546%0.45728%0.279SS..Hα-helixtrans-64.5-40.4176.4-72.4173.6-177.7173.70111.9I432 C494 D495 Y496 K502I432-K498 HydrophobicContact CD1-CB 3.49Å; I432-K498 VanDerWaalsContact CD1-CB 3.49Å; I432-K498 HydrophobicContact CD1-CD 3.88Å; I432-K498 HydrophobicContact CD1-CG 4.37Å; I432-K498 HydrophobicContact CG1-CB 3.89Å; C494-K498 WeakPolarHBondContact O-CG 3.43Å; C494-K498 PolarHBondContact O-N 3.25Å; C494-K498 VanDerWaalsContact O-N 3.12Å; D495-K498 PolarHBondContact O-N 3.1Å; D495-K498 VanDerWaalsContact O-N 3.16Å; Y496-K498 VanDerWaalsContact C-N 3.33Å; Y496-K498 PolarHBondContact O-N 3.33Å; K498-K502 PolarHBondContact O-N 3Å
499H80.9Confident74.2Confident19 Ų1944.9 Ų44.99%0.08825%0.248CC..Hα-helixtrans-62.8-47.5174.6-72.687.6000111.2L430 I432 L435 F469 D495 Y496 N501 K502 L503L430-H499 PolarHBondContact O-NE2 2.68Å; L430-H499 VanDerWaalsContact O-NE2 3.13Å; I432-H499 WeakPolarHBondContact CD1-CE1 3.48Å; I432-H499 VanDerWaalsContact CD1-ND1 3.3Å; I432-H499 WeakPolarHBondContact CD1-ND1 3.14Å; I432-H499 WeakPolarHBondContact CG1-CE1 3.35Å; I432-H499 WeakPolarHBondContact CG1-ND1 3.23Å; L435-H499 WeakPolarHBondContact CD1-CD2 3.45Å; F469-H499 HydrophobicContact CE2-CB 3.56Å; F469-H499 AromaticContact CE2-CD2 3.73Å; F469-H499 AromaticContact CE2-CG 3.59Å; F469-H499 HydrophobicContact CZ-CB 3.86Å; F469-H499 AromaticContact CZ-CD2 3.94Å; F469-H499 AromaticContact CZ-CG 3.61Å; F469-H499 AromaticContact CZ-ND1 3.74Å; D495-H499 PolarHBondContact O-N 3.27Å; D495-H499 PolarHBondContact O-ND1 3.29Å; Y496-H499 PolarHBondContact O-N 2.91Å; H499-N501 PolarHBondContact O-N 3.36Å; H499-K502 WeakPolarHBondContact O-CB 3.2Å; H499-K502 PolarHBondContact O-N 2.98Å; H499-K502 VanDerWaalsContact O-N 3.11Å; H499-L503 WeakPolarHBondContact O-CB 3.1Å; H499-L503 PolarHBondContact O-N 2.89Å
500M82.2Confident76.4Confident6 Ų642.4 Ų42.43%0.0323%0.23CC..Hα-helixtrans-63.6-39.1178.7-67.2-56.714800112.7F469 L471 Y496 R497 K502 L503 G504 L566F469-M500 HydrophobicContact CB-CE 3.95Å; F469-M500 HydrophobicContact CD2-CE 3.71Å; F469-M500 HydrophobicContact CE2-CE 4.44Å; F469-M500 HydrophobicContact CG-CE 3.85Å; L471-M500 HydrophobicContact CD1-CE 4.27Å; L471-M500 HydrophobicContact CD2-CE 3.88Å; L471-M500 HydrophobicContact CD2-SD 4.06Å; L471-M500 HydrophobicContact CG-CE 4.2Å; Y496-M500 HydrophobicContact CD1-CG 4.09Å; Y496-M500 HydrophobicContact CD2-CE 4.14Å; Y496-M500 HydrophobicContact CE1-CG 3.61Å; Y496-M500 HydrophobicContact CE2-CE 3.44Å; Y496-M500 VanDerWaalsContact CE2-CE 3.44Å; Y496-M500 HydrophobicContact CE2-CG 4.18Å; Y496-M500 WeakPolarHBondContact O-CG 2.98Å; Y496-M500 PolarHBondContact O-N 3.29Å; R497-M500 PolarHBondContact O-N 3.05Å; M500-K502 VanDerWaalsContact C-N 3.3Å; M500-K502 PolarHBondContact O-N 3.24Å; M500-L503 WeakPolarHBondContact O-CB 3.49Å; M500-L503 PolarHBondContact O-N 2.97Å; M500-L503 HydrophobicContact SD-CD2 3.94Å; M500-G504 PolarHBondContact O-N 3.31Å; M500-L566 HydrophobicContact SD-CD2 4.13Å
501N83.1Confident78.2Confident43 Ų4338.3 Ų38.323%0.2320%0.196CC..Hα-helixtrans-60-42172.5-176.3-81.6000111.8R497 H499 G504 K505 D567R497-N501 WeakPolarHBondContact O-CB 3.32Å; R497-N501 PolarHBondContact O-N 3.27Å; H499-N501 PolarHBondContact O-N 3.36Å; N501-G504 PolarHBondContact O-N 3.39Å; N501-K505 WeakPolarHBondContact O-CG 3.19Å; N501-K505 PolarHBondContact O-N 2.88Å; N501-K505 VanDerWaalsContact O-N 3.08Å; N501-K505 WeakPolarHBondContact OD1-CD 3.3Å; N501-K505 WeakPolarHBondContact OD1-CE 3.17Å; N501-K505 PolarHBondContact OD1-NZ 2.73Å; N501-D567 WeakPolarHBondContact CA-OD2 3.45Å; N501-D567 WeakPolarHBondContact CB-OD2 3.33Å; N501-D567 PolarHBondContact ND2-OD2 2.96Å
502K84.8Confident80Confident22 Ų2240.7 Ų40.710%0.09619%0.194CC..Hα-helixtrans-68.5-40.9178.1-16668.2-179.1-168.40111.5L435 K498 H499 M500 K505 S506L435-K502 HydrophobicContact CB-CG 4.22Å; L435-K502 WeakPolarHBondContact O-CE 3.38Å; K498-K502 PolarHBondContact O-N 3Å; H499-K502 WeakPolarHBondContact O-CB 3.2Å; H499-K502 PolarHBondContact O-N 2.98Å; H499-K502 VanDerWaalsContact O-N 3.11Å; M500-K502 VanDerWaalsContact C-N 3.3Å; M500-K502 PolarHBondContact O-N 3.24Å; K502-K505 WeakPolarHBondContact O-CB 3.36Å; K502-K505 PolarHBondContact O-N 3.14Å; K502-S506 PolarHBondContact O-N 3.47Å; K502-S506 PolarHBondContact O-OG 2.78Å; K502-S506 VanDerWaalsContact O-OG 3.1Å
503L85.3Confident81.8Confident6 Ų640 Ų403%0.03119%0.187CC..Hα-helixtrans-57.9-48.7174.2-166.672.7000111.2I462 T465 V466 H499 M500 K505 S506 L507 L566I462-L503 HydrophobicContact CB-CD1 4.06Å; I462-L503 HydrophobicContact CG1-CD1 3.94Å; I462-L503 HydrophobicContact CG2-CD1 3.91Å; T465-L503 WeakPolarHBondContact OG1-CD1 3.46Å; V466-L503 HydrophobicContact CG2-CD1 4.27Å; V466-L503 HydrophobicContact CG2-CD2 4Å; H499-L503 WeakPolarHBondContact O-CB 3.1Å; H499-L503 PolarHBondContact O-N 2.89Å; M500-L503 WeakPolarHBondContact O-CB 3.49Å; M500-L503 PolarHBondContact O-N 2.97Å; M500-L503 HydrophobicContact SD-CD2 3.94Å; L503-K505 VanDerWaalsContact C-N 3.31Å; L503-K505 PolarHBondContact O-N 3.4Å; L503-S506 WeakPolarHBondContact O-CA 3.29Å; L503-S506 WeakPolarHBondContact O-CB 3.1Å; L503-S506 PolarHBondContact O-N 3.07Å; L503-L507 PolarHBondContact O-N 3.28Å; L503-L566 HydrophobicContact CD2-CD1 3.58Å; L503-L566 HydrophobicContact CD2-CD2 4.17Å; L503-L566 HydrophobicContact CD2-CG 4.4Å; L503-L566 HydrophobicContact CG-CD1 4.12Å
504G85.4Confident83.2Confident0 Ų039.2 Ų39.20%018%0.177CC..Hα-helixtrans-57.8-41.6175.500000112.7M500 N501 L507 L508 S563M500-G504 PolarHBondContact O-N 3.31Å; N501-G504 PolarHBondContact O-N 3.39Å; G504-L507 PolarHBondContact O-N 3.19Å; G504-L508 WeakPolarHBondContact O-CB 3.01Å; G504-L508 PolarHBondContact O-N 3.29Å; G504-L508 VanDerWaalsContact O-N 3.09Å; G504-S563 WeakPolarHBondContact CA-OG 3.44Å; G504-S563 PolarHBondContact O-OG 2.83Å
505K89.1Confident84.4Confident73 Ų7340.7 Ų40.732%0.31718%0.184SC..Hα-helixtrans-67.1-31.8174.1-74169.7175.6162.70113.6Y439 N501 K502 L503 L509 F570Y439-K505 HydrophobicContact CE2-CB 4.48Å; Y439-K505 PolarHBondContact OH-O 3.35Å; N501-K505 WeakPolarHBondContact O-CG 3.19Å; N501-K505 PolarHBondContact O-N 2.88Å; N501-K505 VanDerWaalsContact O-N 3.08Å; N501-K505 WeakPolarHBondContact OD1-CD 3.3Å; N501-K505 WeakPolarHBondContact OD1-CE 3.17Å; N501-K505 PolarHBondContact OD1-NZ 2.73Å; K502-K505 WeakPolarHBondContact O-CB 3.36Å; K502-K505 PolarHBondContact O-N 3.14Å; L503-K505 VanDerWaalsContact C-N 3.31Å; L503-K505 PolarHBondContact O-N 3.4Å; K505-L509 PolarHBondContact O-N 3.47Å; K505-L509 VanDerWaalsContact O-N 3.15Å; K505-F570 HydrophobicContact CG-CE1 4.29Å; K505-F570 HydrophobicContact CG-CE2 3.96Å; K505-F570 HydrophobicContact CG-CZ 3.75Å
506S90Very high85.3Confident4 Ų441.5 Ų41.53%0.02819%0.186CC..Hα-helixtrans-71.1-44.2175.1-64.60000111.7Y439 K502 L503 L508 L509 L510Y439-S506 WeakPolarHBondContact CD2-OG 3.05Å; K502-S506 PolarHBondContact O-N 3.47Å; K502-S506 PolarHBondContact O-OG 2.78Å; K502-S506 VanDerWaalsContact O-OG 3.1Å; L503-S506 WeakPolarHBondContact O-CA 3.29Å; L503-S506 WeakPolarHBondContact O-CB 3.1Å; L503-S506 PolarHBondContact O-N 3.07Å; S506-L508 VanDerWaalsContact C-N 3.32Å; S506-L508 PolarHBondContact O-N 3.13Å; S506-L509 WeakPolarHBondContact O-CB 2.91Å; S506-L509 PolarHBondContact O-N 3.28Å; S506-L510 PolarHBondContact O-N 2.97Å
507L89.3Confident85.6Confident0 Ų044.9 Ų44.90%020%0.199CC..Hα-helixtrans-60.2-42.2174.3-71.3168000112I462 L503 G504 L509 L510 S511 F532 L559 L562 L566I462-L507 HydrophobicContact CD1-CD2 3.94Å; I462-L507 HydrophobicContact CD1-CG 4.22Å; I462-L507 HydrophobicContact CG2-CD2 4.39Å; L503-L507 PolarHBondContact O-N 3.28Å; G504-L507 PolarHBondContact O-N 3.19Å; L507-L509 VanDerWaalsContact C-N 3.26Å; L507-L509 PolarHBondContact O-N 2.75Å; L507-L510 PolarHBondContact O-N 2.97Å; L507-S511 WeakPolarHBondContact O-CB 3.42Å; L507-S511 PolarHBondContact O-N 3.16Å; L507-S511 PolarHBondContact O-OG 2.61Å; L507-F532 HydrophobicContact CD2-CE2 3.85Å; L507-F532 HydrophobicContact CD2-CZ 3.71Å; L507-L559 HydrophobicContact CD2-CD2 3.69Å; L507-L562 HydrophobicContact CD1-CB 4.24Å; L507-L562 HydrophobicContact CD1-CD2 3.99Å; L507-L562 HydrophobicContact CD1-CG 3.96Å; L507-L562 HydrophobicContact CD2-CD2 4.31Å; L507-L566 HydrophobicContact CD1-CD1 3.43Å; L507-L566 VanDerWaalsContact CD1-CD1 3.43Å
508L90.3Very high85.4Confident19 Ų1942.6 Ų42.610%0.09921%0.208CC..Hα-helixtrans-65.1-30175-176.8138.6000112.8G504 S506 S511 R512 L560 F570 K572 L576G504-L508 WeakPolarHBondContact O-CB 3.01Å; G504-L508 PolarHBondContact O-N 3.29Å; G504-L508 VanDerWaalsContact O-N 3.09Å; S506-L508 VanDerWaalsContact C-N 3.32Å; S506-L508 PolarHBondContact O-N 3.13Å; L508-S511 WeakPolarHBondContact CA-OG 3.09Å; L508-S511 PolarHBondContact O-OG 3.45Å; L508-R512 PolarHBondContact O-N 2.65Å; L508-L560 HydrophobicContact CD1-CD2 4.48Å; L508-F570 HydrophobicContact CB-CE1 4.27Å; L508-F570 HydrophobicContact CD1-CE1 3.72Å; L508-F570 HydrophobicContact CD1-CZ 4.06Å; L508-K572 HydrophobicContact CD1-CG 4.39Å; L508-L576 HydrophobicContact CD1-CD1 3.49Å; L508-L576 VanDerWaalsContact CD1-CD1 3.49Å; L508-L576 HydrophobicContact CD1-CG 4.24Å; L508-L576 HydrophobicContact CD2-CD1 4.13Å; L508-L576 HydrophobicContact CG-CD1 3.8Å
509L91Very high85.2Confident14 Ų1439.7 Ų39.77%0.07321%0.208CC..Hα-helixtrans-72.4-44.4175.2-173.663.2000111.2Y439 K443 V458 K505 S506 L507 R512 W513Y439-L509 HydrophobicContact CD2-CD2 4.15Å; Y439-L509 HydrophobicContact CE2-CB 4.08Å; Y439-L509 HydrophobicContact CE2-CD2 3.56Å; Y439-L509 HydrophobicContact CE2-CG 4.46Å; K443-L509 HydrophobicContact CD-CD2 4.49Å; K443-L509 HydrophobicContact CG-CD2 3.88Å; V458-L509 HydrophobicContact CG2-CD2 4.2Å; K505-L509 PolarHBondContact O-N 3.47Å; K505-L509 VanDerWaalsContact O-N 3.15Å; S506-L509 WeakPolarHBondContact O-CB 2.91Å; S506-L509 PolarHBondContact O-N 3.28Å; L507-L509 VanDerWaalsContact C-N 3.26Å; L507-L509 PolarHBondContact O-N 2.75Å; L509-R512 PolarHBondContact O-N 3.22Å; L509-W513 HydrophobicContact CD1-CD2 4.4Å; L509-W513 HydrophobicContact CD1-CZ2 3.84Å; L509-W513 HydrophobicContact CD2-CH2 3.68Å; L509-W513 HydrophobicContact CD2-CZ2 3.76Å; L509-W513 HydrophobicContact CD2-CZ3 4.2Å; L509-W513 HydrophobicContact CG-CD2 4.12Å; L509-W513 HydrophobicContact CG-CE3 4.3Å; L509-W513 HydrophobicContact CG-CH2 3.99Å; L509-W513 HydrophobicContact CG-CZ2 3.77Å; L509-W513 HydrophobicContact CG-CZ3 4.24Å; L509-W513 PolarHBondContact O-N 3.4Å
510L89.9Confident85Confident0 Ų039.4 Ų39.40%021%0.206CC..Hα-helixtrans-61.9-44.9175.6-69.8-173.2000111.8F455 V458 Y459 I462 S506 L507 R512 W513 M514F455-L510 HydrophobicContact CD1-CD2 4.37Å; F455-L510 HydrophobicContact CD2-CD2 3.63Å; F455-L510 HydrophobicContact CE1-CD2 4.28Å; F455-L510 HydrophobicContact CE2-CB 4.25Å; F455-L510 HydrophobicContact CE2-CD2 3.53Å; F455-L510 HydrophobicContact CE2-CG 4.4Å; F455-L510 HydrophobicContact CG-CD2 4.05Å; F455-L510 HydrophobicContact CZ-CD2 3.87Å; V458-L510 HydrophobicContact CB-CD2 3.83Å; V458-L510 HydrophobicContact CB-CG 4.41Å; V458-L510 HydrophobicContact CG1-CD1 4.33Å; V458-L510 HydrophobicContact CG1-CD2 3.73Å; V458-L510 HydrophobicContact CG1-CG 3.76Å; Y459-L510 HydrophobicContact CD2-CD1 4.37Å; I462-L510 HydrophobicContact CD1-CD1 3.44Å; I462-L510 VanDerWaalsContact CD1-CD1 3.44Å; I462-L510 HydrophobicContact CD1-CG 4.16Å; S506-L510 PolarHBondContact O-N 2.97Å; L507-L510 PolarHBondContact O-N 2.97Å; L510-R512 VanDerWaalsContact C-N 3.28Å; L510-R512 PolarHBondContact O-N 2.87Å; L510-W513 HydrophobicContact CD2-CE3 4.22Å; L510-W513 PolarHBondContact O-N 3.25Å; L510-W513 VanDerWaalsContact O-N 3.14Å; L510-M514 WeakPolarHBondContact O-CG 3.08Å; L510-M514 PolarHBondContact O-N 3.47Å
511S88.2Confident84.3Confident4 Ų440.1 Ų40.13%0.02822%0.215CC..Hα-helixtrans-59.6-42.2179.872.40000111.1L507 L508 M514 T515 L560L507-S511 WeakPolarHBondContact O-CB 3.42Å; L507-S511 PolarHBondContact O-N 3.16Å; L507-S511 PolarHBondContact O-OG 2.61Å; L508-S511 WeakPolarHBondContact CA-OG 3.09Å; L508-S511 PolarHBondContact O-OG 3.45Å; S511-M514 PolarHBondContact O-N 3.23Å; S511-T515 WeakPolarHBondContact O-CG2 3.25Å; S511-T515 PolarHBondContact O-N 3.29Å; S511-T515 VanDerWaalsContact O-N 3.15Å; S511-L560 WeakPolarHBondContact OG-CD2 3.43Å
512R90.4Very high83.6Confident149 Ų14943.6 Ų43.656%0.56223%0.233SC*.Hα-helixtrans-62-47.8173.1-179.1-178.8168.6167.62.5112.4L508 L509 L510 M514 T515 E516L508-R512 PolarHBondContact O-N 2.65Å; L509-R512 PolarHBondContact O-N 3.22Å; L510-R512 VanDerWaalsContact C-N 3.28Å; L510-R512 PolarHBondContact O-N 2.87Å; R512-M514 VanDerWaalsContact C-N 3.29Å; R512-M514 PolarHBondContact O-N 2.94Å; R512-T515 PolarHBondContact O-N 3.49Å; R512-T515 VanDerWaalsContact O-N 3.13Å; R512-T515 PolarHBondContact O-OG1 3.09Å; R512-E516 IonicContact CZ-OE1 2.7Å; R512-E516 IonicContact NE-OE1 2.92Å; R512-E516 PolarHBondContact NE-OE1 3.49Å; R512-E516 IonicContact NH2-OE1 3.79Å; R512-E516 PolarHBondContact NH2-OE1 3.49Å; R512-E516 PolarHBondContact O-N 3.03Å
513W89.9Confident82.7Confident8 Ų844 Ų443%0.0324%0.237CC..Hα-helixtrans-64.3-34.9-179.7-70-20.5000112.7A442 Y446 A454 F455 V458 L509 L510 T515 E516 Y517 F520A442-W513 HydrophobicContact CB-CH2 4.2Å; Y446-W513 HydrophobicContact CD1-CZ2 4.27Å; Y446-W513 AromaticContact CD1-NE1 3.63Å; Y446-W513 AromaticContact CD2-CD2 3.82Å; Y446-W513 HydrophobicContact CD2-CD2 3.82Å; Y446-W513 AromaticContact CD2-CE2 3.53Å; Y446-W513 HydrophobicContact CD2-CE3 4.31Å; Y446-W513 HydrophobicContact CD2-CG 4.18Å; Y446-W513 HydrophobicContact CD2-CH2 4.29Å; Y446-W513 AromaticContact CD2-CZ2 3.8Å; Y446-W513 HydrophobicContact CD2-CZ2 3.8Å; Y446-W513 AromaticContact CD2-NE1 3.73Å; Y446-W513 AromaticContact CE1-CD1 3.87Å; Y446-W513 AromaticContact CE1-NE1 3.59Å; Y446-W513 HydrophobicContact CE2-CB 4.35Å; Y446-W513 AromaticContact CE2-CD1 3.63Å; Y446-W513 AromaticContact CE2-CD2 3.89Å; Y446-W513 HydrophobicContact CE2-CD2 3.89Å; Y446-W513 AromaticContact CE2-CE2 3.88Å; Y446-W513 AromaticContact CE2-CG 3.75Å; Y446-W513 HydrophobicContact CE2-CG 3.75Å; Y446-W513 AromaticContact CE2-NE1 3.71Å; Y446-W513 HydrophobicContact CG-CD2 4.39Å; Y446-W513 AromaticContact CG-CE2 3.63Å; Y446-W513 HydrophobicContact CG-CH2 4.35Å; Y446-W513 AromaticContact CG-CZ2 3.62Å; Y446-W513 HydrophobicContact CG-CZ2 3.62Å; Y446-W513 AromaticContact CG-NE1 3.7Å; Y446-W513 AromaticContact CZ-CD1 3.48Å; Y446-W513 VanDerWaalsContact CZ-CD1 3.48Å; Y446-W513 AromaticContact CZ-NE1 3.63Å; A454-W513 HydrophobicContact CB-CH2 4.05Å; A454-W513 HydrophobicContact CB-CZ3 4.22Å; F455-W513 HydrophobicContact CB-CE3 4.38Å; F455-W513 HydrophobicContact CD2-CB 4.27Å; F455-W513 HydrophobicContact CD2-CE3 4.08Å; V458-W513 HydrophobicContact CB-CZ3 4.4Å; V458-W513 HydrophobicContact CG2-CH2 4.06Å; V458-W513 HydrophobicContact CG2-CZ3 3.77Å; L509-W513 HydrophobicContact CD1-CD2 4.4Å; L509-W513 HydrophobicContact CD1-CZ2 3.84Å; L509-W513 HydrophobicContact CD2-CH2 3.68Å; L509-W513 HydrophobicContact CD2-CZ2 3.76Å; L509-W513 HydrophobicContact CD2-CZ3 4.2Å; L509-W513 HydrophobicContact CG-CD2 4.12Å; L509-W513 HydrophobicContact CG-CE3 4.3Å; L509-W513 HydrophobicContact CG-CH2 3.99Å; L509-W513 HydrophobicContact CG-CZ2 3.77Å; L509-W513 HydrophobicContact CG-CZ3 4.24Å; L509-W513 PolarHBondContact O-N 3.4Å; L510-W513 HydrophobicContact CD2-CE3 4.22Å; L510-W513 PolarHBondContact O-N 3.25Å; L510-W513 VanDerWaalsContact O-N 3.14Å; W513-T515 VanDerWaalsContact C-N 3.32Å; W513-T515 PolarHBondContact O-N 3.23Å; W513-E516 PolarHBondContact O-N 3.47Å; W513-E516 VanDerWaalsContact O-N 3.17Å; W513-Y517 PolarHBondContact O-N 3.44Å; W513-F520 HydrophobicContact CB-CD2 4.15Å; W513-F520 HydrophobicContact CB-CE2 4.01Å; W513-F520 WeakPolarHBondContact O-CD2 3.49Å
514M84.2Confident81.9Confident21 Ų2144.5 Ų44.510%0.10324%0.239CC..Hα-helixtrans-63.5-36.2172.4-76.8-172.858.800113F455 L510 S511 R512 E516 Y517 F520 L524 V555 V556 L559F455-M514 HydrophobicContact CE2-CG 3.92Å; F455-M514 HydrophobicContact CZ-CG 4.22Å; L510-M514 WeakPolarHBondContact O-CG 3.08Å; L510-M514 PolarHBondContact O-N 3.47Å; S511-M514 PolarHBondContact O-N 3.23Å; R512-M514 VanDerWaalsContact C-N 3.29Å; R512-M514 PolarHBondContact O-N 2.94Å; M514-E516 VanDerWaalsContact C-N 3.28Å; M514-E516 PolarHBondContact O-N 2.95Å; M514-Y517 CarbonylContact O-C 3.49Å; M514-F520 HydrophobicContact CG-CB 4.24Å; M514-L524 HydrophobicContact CE-CD1 4.32Å; M514-L524 HydrophobicContact SD-CD1 3.49Å; M514-L524 WeakPolarHBondContact SD-CD1 3.32Å; M514-V555 HydrophobicContact CE-CB 4.1Å; M514-V555 HydrophobicContact CE-CG1 3.91Å; M514-V555 HydrophobicContact SD-CG1 4.34Å; M514-V556 HydrophobicContact CB-CG2 4.11Å; M514-V556 HydrophobicContact CE-CG2 4.26Å; M514-L559 HydrophobicContact SD-CD1 3.78Å
515T84Confident80.8Confident93 Ų9350.6 Ų50.657%0.57127%0.271SS*.Hα-helixtrans-68.6-27.4174.258.20000112.9S511 R512 W513 V556S511-T515 WeakPolarHBondContact O-CG2 3.25Å; S511-T515 PolarHBondContact O-N 3.29Å; S511-T515 VanDerWaalsContact O-N 3.15Å; R512-T515 PolarHBondContact O-N 3.49Å; R512-T515 VanDerWaalsContact O-N 3.13Å; R512-T515 PolarHBondContact O-OG1 3.09Å; W513-T515 VanDerWaalsContact C-N 3.32Å; W513-T515 PolarHBondContact O-N 3.23Å; T515-V556 HydrophobicContact CG2-CG1 3.78Å; T515-V556 HydrophobicContact CG2-CG2 4.12Å
516E85.5Confident79.4Confident84 Ų8450.6 Ų50.639%0.39328%0.284SS..Hα-helixtrans-82.4-34.4177.3-68175.8-167.700112.1Y446 R512 W513 M514Y446-E516 PolarHBondContact OH-OE2 3.45Å; R512-E516 IonicContact CZ-OE1 2.7Å; R512-E516 IonicContact NE-OE1 2.92Å; R512-E516 PolarHBondContact NE-OE1 3.49Å; R512-E516 IonicContact NH2-OE1 3.79Å; R512-E516 PolarHBondContact NH2-OE1 3.49Å; R512-E516 PolarHBondContact O-N 3.03Å; W513-E516 PolarHBondContact O-N 3.47Å; W513-E516 VanDerWaalsContact O-N 3.17Å; M514-E516 VanDerWaalsContact C-N 3.28Å; M514-E516 PolarHBondContact O-N 2.95Å
517Y80Confident78Confident113 Ų11354.2 Ų54.244%0.44330%0.303SS..  trans-140.1111-178.6-74.1-85.1000111.7Y446 K451 W513 M514 G519 F520Y446-Y517 WeakPolarHBondContact OH-CD2 3.34Å; K451-Y517 HydrophobicContact CD-CD2 4.27Å; K451-Y517 HydrophobicContact CD-CE2 3.73Å; K451-Y517 VanDerWaalsContact NZ-CZ 3.27Å; K451-Y517 PolarHBondContact NZ-OH 2.92Å; W513-Y517 PolarHBondContact O-N 3.44Å; M514-Y517 CarbonylContact O-C 3.49Å; Y517-G519 VanDerWaalsContact C-N 3.28Å; Y517-G519 PolarHBondContact O-N 3.35Å; Y517-F520 VanDerWaalsContact CB-CE2 3.48Å; Y517-F520 HydrophobicContact CD2-CE2 4.11Å; Y517-F520 HydrophobicContact CD2-CZ 4.47Å; Y517-F520 HydrophobicContact CG-CE2 4.1Å; Y517-F520 HydrophobicContact CG-CZ 4.4Å; Y517-F520 WeakPolarHBondContact O-CD2 3.12Å; Y517-F520 PolarHBondContact O-N 3.33Å
518S71.6Confident76.3Confident112 Ų11256.8 Ų56.878%0.78332%0.319SS*.THydrogen-bonded Turntrans-63.7-28.7-179.454.70000114.3F520 G521S518-F520 PolarHBondContact O-N 3.26Å; S518-F520 VanDerWaalsContact O-N 3.09Å; S518-G521 PolarHBondContact O-N 3.16Å
519G73.1Confident75.1Confident44 Ų4456.2 Ų56.245%0.45432%0.317SS..THydrogen-bonded Turntrans-66.4-8.4-177.700000115.6Y517 G521Y517-G519 VanDerWaalsContact C-N 3.28Å; Y517-G519 PolarHBondContact O-N 3.35Å; G519-G521 VanDerWaalsContact C-N 3.26Å; G519-G521 PolarHBondContact O-N 3.37Å
520F77.9Confident74Confident13 Ų1360 Ų606%0.05734%0.342CS..Hα-helixtrans-73.4-16.5174.4-65.4-41.9000113.9Y446 K451 F455 W513 M514 Y517 S518 D522 I523 L524Y446-F520 HydrophobicContact CE2-CE2 4.21Å; Y446-F520 HydrophobicContact CE2-CZ 4.22Å; K451-F520 HydrophobicContact CB-CE1 4.39Å; K451-F520 HydrophobicContact CB-CZ 3.83Å; F455-F520 HydrophobicContact CB-CD1 4.03Å; F455-F520 HydrophobicContact CB-CE1 4.09Å; F455-F520 HydrophobicContact CB-CG 4.44Å; F455-F520 HydrophobicContact CD1-CB 4.36Å; F455-F520 HydrophobicContact CD1-CD1 4.47Å; F455-F520 HydrophobicContact CD2-CB 3.75Å; F455-F520 HydrophobicContact CD2-CD1 4.02Å; F455-F520 AromaticContact CD2-CD2 3.72Å; F455-F520 HydrophobicContact CD2-CD2 3.72Å; F455-F520 HydrophobicContact CD2-CE2 4.3Å; F455-F520 AromaticContact CD2-CG 3.57Å; F455-F520 HydrophobicContact CD2-CG 3.57Å; F455-F520 HydrophobicContact CE1-CB 4.19Å; F455-F520 HydrophobicContact CE2-CB 3.55Å; F455-F520 HydrophobicContact CE2-CD2 4.1Å; F455-F520 AromaticContact CE2-CG 3.9Å; F455-F520 HydrophobicContact CE2-CG 3.9Å; F455-F520 HydrophobicContact CG-CB 4.16Å; F455-F520 AromaticContact CG-CD1 3.92Å; F455-F520 HydrophobicContact CG-CD1 3.92Å; F455-F520 HydrophobicContact CG-CD2 4.44Å; F455-F520 HydrophobicContact CG-CE1 4.44Å; F455-F520 AromaticContact CG-CG 3.93Å; F455-F520 HydrophobicContact CG-CG 3.93Å; F455-F520 HydrophobicContact CZ-CB 3.79Å; W513-F520 HydrophobicContact CB-CD2 4.15Å; W513-F520 HydrophobicContact CB-CE2 4.01Å; W513-F520 WeakPolarHBondContact O-CD2 3.49Å; M514-F520 HydrophobicContact CG-CB 4.24Å; Y517-F520 VanDerWaalsContact CB-CE2 3.48Å; Y517-F520 HydrophobicContact CD2-CE2 4.11Å; Y517-F520 HydrophobicContact CD2-CZ 4.47Å; Y517-F520 HydrophobicContact CG-CE2 4.1Å; Y517-F520 HydrophobicContact CG-CZ 4.4Å; Y517-F520 WeakPolarHBondContact O-CD2 3.12Å; Y517-F520 PolarHBondContact O-N 3.33Å; S518-F520 PolarHBondContact O-N 3.26Å; S518-F520 VanDerWaalsContact O-N 3.09Å; F520-D522 PolarHBondContact O-N 2.82Å; F520-I523 HydrophobicContact CD1-CD1 3.75Å; F520-I523 HydrophobicContact CE1-CD1 4.35Å; F520-I523 PolarHBondContact O-N 2.75Å; F520-I523 VanDerWaalsContact O-N 3.14Å; F520-L524 PolarHBondContact O-N 2.96Å
521G68.4Low73Confident21 Ų2162.6 Ų62.622%0.21636%0.358CS..Hα-helixtrans-57.7-38.4173.100000112.3S518 G519 I523 L524 L525S518-G521 PolarHBondContact O-N 3.16Å; G519-G521 VanDerWaalsContact C-N 3.26Å; G519-G521 PolarHBondContact O-N 3.37Å; G521-I523 VanDerWaalsContact C-N 3.28Å; G521-I523 PolarHBondContact O-N 3.34Å; G521-L524 WeakPolarHBondContact O-CB 3.36Å; G521-L524 PolarHBondContact O-N 3.3Å; G521-L525 WeakPolarHBondContact O-CG 3.47Å; G521-L525 PolarHBondContact O-N 2.95Å
522D67.8Low72.4Confident115 Ų11562.6 Ų62.662%0.61536%0.358SS*.Hα-helixtrans-66.8-31.4179.1-60.2-28.3000112F520 L525 A526F520-D522 PolarHBondContact O-N 2.82Å; D522-L525 PolarHBondContact O-N 3.29Å; D522-A526 WeakPolarHBondContact O-CB 3.44Å; D522-A526 PolarHBondContact O-N 3.32Å; D522-A526 VanDerWaalsContact O-N 3.08Å
523I65.8Low71.7Confident32 Ų3259.1 Ų59.116%0.16435%0.348CS..Hα-helixtrans-69.7-38.7177.9-55.8-174.5000111F455 F520 G521 L525 A526 N527F455-I523 HydrophobicContact CD1-CB 4.14Å; F455-I523 HydrophobicContact CD1-CD1 4.44Å; F455-I523 HydrophobicContact CD1-CG2 3.92Å; F455-I523 HydrophobicContact CE1-CB 4.23Å; F455-I523 HydrophobicContact CE1-CG2 4.26Å; F520-I523 HydrophobicContact CD1-CD1 3.75Å; F520-I523 HydrophobicContact CE1-CD1 4.35Å; F520-I523 PolarHBondContact O-N 2.75Å; F520-I523 VanDerWaalsContact O-N 3.14Å; G521-I523 VanDerWaalsContact C-N 3.28Å; G521-I523 PolarHBondContact O-N 3.34Å; I523-L525 VanDerWaalsContact C-N 3.28Å; I523-L525 PolarHBondContact O-N 2.83Å; I523-A526 PolarHBondContact O-N 2.84Å; I523-N527 PolarHBondContact O-N 2.97Å
524L68.2Low71Confident15 Ų1563.3 Ų63.38%0.07937%0.366CS..Hα-helixtrans-60-40.8174-84161.4000111.4F455 Y459 M514 F520 G521F455-L524 HydrophobicContact CE1-CG 3.96Å; F455-L524 HydrophobicContact CZ-CD1 3.98Å; F455-L524 HydrophobicContact CZ-CG 3.92Å; Y459-L524 HydrophobicContact CD2-CD2 3.49Å; Y459-L524 VanDerWaalsContact CD2-CD2 3.49Å; Y459-L524 HydrophobicContact CE2-CD2 3.35Å; Y459-L524 HydrophobicContact CG-CD2 4.26Å; M514-L524 HydrophobicContact CE-CD1 4.32Å; M514-L524 HydrophobicContact SD-CD1 3.49Å; M514-L524 WeakPolarHBondContact SD-CD1 3.32Å; F520-L524 PolarHBondContact O-N 2.96Å; G521-L524 WeakPolarHBondContact O-CB 3.36Å; G521-L524 PolarHBondContact O-N 3.3Å
525L62.4Low70.6Confident128 Ų12863.3 Ų63.367%0.6737%0.365SS*.Hα-helixtrans-75.7-21.3-179.4-65.5170.5000113.4G521 D522 I523 V528G521-L525 WeakPolarHBondContact O-CG 3.47Å; G521-L525 PolarHBondContact O-N 2.95Å; D522-L525 PolarHBondContact O-N 3.29Å; I523-L525 VanDerWaalsContact C-N 3.28Å; I523-L525 PolarHBondContact O-N 2.83Å; L525-V528 WeakPolarHBondContact O-CG2 3.44Å
526A60.1Low70.4Confident73 Ų7360 Ų6060%0.60334%0.344SS*.Hα-helixtrans-86.6-29.8-174.700000114.5D522 I523D522-A526 WeakPolarHBondContact O-CB 3.44Å; D522-A526 PolarHBondContact O-N 3.32Å; D522-A526 VanDerWaalsContact O-N 3.08Å; I523-A526 PolarHBondContact O-N 2.84Å
527N59.2Low70.1Confident80 Ų8061.2 Ų61.243%0.42835%0.349SS..SBendtrans-120.148.1-168.7-78.2-36.7000113Y459 I523 S529Y459-N527 HydrophobicContact CE1-CB 4.14Å; Y459-N527 WeakPolarHBondContact CE1-O 3.25Å; I523-N527 PolarHBondContact O-N 2.97Å; N527-S529 PolarHBondContact O-N 2.76Å
528V54.1Low70.2Confident55 Ų5558.5 Ų58.533%0.33334%0.343SS..  trans-74.9118-160.1-167.60000113.2L525 E533L525-V528 WeakPolarHBondContact O-CG2 3.44Å; V528-E533 HydrophobicContact CG1-CB 3.64Å; V528-E533 VanDerWaalsContact CG1-CD 3.42Å; V528-E533 HydrophobicContact CG1-CG 3.98Å; V528-E533 WeakPolarHBondContact CG1-OE2 3.13Å
529S65.2Low70.6Confident7 Ų753.4 Ų53.45%0.04931%0.306CS..  trans-76121.9155.8170.30000108.4C463 E467 N527 V531 F532 E533C463-S529 VanDerWaalsContact SG-CB 3.52Å; E467-S529 WeakPolarHBondContact OE1-CB 3.25Å; E467-S529 PolarHBondContact OE1-OG 3.44Å; N527-S529 PolarHBondContact O-N 2.76Å; S529-V531 PolarHBondContact O-N 2.75Å; S529-F532 PolarHBondContact O-N 3.48Å; S529-E533 PolarHBondContact O-N 3.45Å; S529-E533 VanDerWaalsContact O-N 3.07Å
530P67.4Low71.1Confident92 Ų9253.2 Ų53.260%0.59730%0.295SS*.Hα-helixtrans-65-24.1-175.926.2-34.1000112.4K534P530-K534 PolarHBondContact O-N 2.73Å
531V68.9Low71.3Confident56 Ų5658.8 Ų58.834%0.33932%0.321SS..Hα-helixtrans-75.3-45.2179.1-175.80000110.5V466 E467 S529 Y535V466-V531 HydrophobicContact CG1-CB 4.38Å; V466-V531 HydrophobicContact CG1-CG1 3.73Å; E467-V531 HydrophobicContact CG-CB 4.42Å; E467-V531 HydrophobicContact CG-CG2 4.23Å; S529-V531 PolarHBondContact O-N 2.75Å; V531-Y535 HydrophobicContact CG1-CD2 4.29Å; V531-Y535 HydrophobicContact CG1-CE2 3.89Å; V531-Y535 WeakPolarHBondContact O-CD2 3.3Å; V531-Y535 PolarHBondContact O-N 2.84Å
532F76.4Confident71.9Confident4 Ų459.8 Ų59.82%0.01832%0.323CS..Hα-helixtrans-69.9-36.2179.3-178.2-103.3000112.4Y459 I462 V466 L507 S529 K534 Y535 L536 L559 L562Y459-F532 HydrophobicContact CD2-CE1 4.36Å; Y459-F532 AromaticContact CE2-CD1 3.61Å; Y459-F532 HydrophobicContact CE2-CD1 3.61Å; Y459-F532 AromaticContact CE2-CE1 3.72Å; Y459-F532 HydrophobicContact CE2-CE1 3.72Å; I462-F532 HydrophobicContact CG2-CD2 3.68Å; I462-F532 HydrophobicContact CG2-CE2 3.51Å; I462-F532 HydrophobicContact CG2-CG 4.34Å; I462-F532 HydrophobicContact CG2-CZ 4.05Å; V466-F532 HydrophobicContact CG2-CD2 4.26Å; L507-F532 HydrophobicContact CD2-CE2 3.85Å; L507-F532 HydrophobicContact CD2-CZ 3.71Å; S529-F532 PolarHBondContact O-N 3.48Å; F532-K534 VanDerWaalsContact C-N 3.34Å; F532-K534 PolarHBondContact O-N 2.92Å; F532-Y535 PolarHBondContact O-N 2.92Å; F532-L536 PolarHBondContact O-N 2.85Å; F532-L559 HydrophobicContact CZ-CD2 4.01Å; F532-L562 HydrophobicContact CE2-CD2 3.74Å; F532-L562 HydrophobicContact CZ-CD2 4.3Å
533E75.1Confident72.4Confident76 Ų7654.3 Ų54.336%0.35529%0.293SS..Hα-helixtrans-57.9-46.9175.2-170.6175.7-144.400111.4V528 S529 Y535 L536 E537V528-E533 HydrophobicContact CG1-CB 3.64Å; V528-E533 VanDerWaalsContact CG1-CD 3.42Å; V528-E533 HydrophobicContact CG1-CG 3.98Å; V528-E533 WeakPolarHBondContact CG1-OE2 3.13Å; S529-E533 PolarHBondContact O-N 3.45Å; S529-E533 VanDerWaalsContact O-N 3.07Å; E533-Y535 VanDerWaalsContact C-N 3.32Å; E533-Y535 PolarHBondContact O-N 3.01Å; E533-L536 PolarHBondContact O-N 2.75Å; E533-L536 VanDerWaalsContact O-N 3.07Å; E533-E537 HydrophobicContact CG-CG 4.45Å; E533-E537 WeakPolarHBondContact O-CG 3.32Å; E533-E537 PolarHBondContact O-N 3.08Å
534K76.3Confident73Confident96 Ų9657.6 Ų57.642%0.41731%0.308SS..Hα-helixtrans-57-43.3176.4-171.2-180176.2-176.50112.4E473 P530 F532 L536 E537 D538E473-K534 IonicContact OE1-NZ 2.81Å; E473-K534 PolarHBondContact OE1-NZ 3.32Å; P530-K534 PolarHBondContact O-N 2.73Å; F532-K534 VanDerWaalsContact C-N 3.34Å; F532-K534 PolarHBondContact O-N 2.92Å; K534-L536 PolarHBondContact O-N 3.39Å; K534-E537 PolarHBondContact O-N 3.37Å; K534-D538 VanDerWaalsContact O-CG 3.27Å; K534-D538 PolarHBondContact O-N 3.2Å
535Y74.8Confident73.4Confident21 Ų2159.6 Ų59.68%0.08232%0.324CS..Hα-helixtrans-63.1-41.6175.6-80-65.5000112.9V466 L471 P472 V531 F532 E533 D538 E539V466-Y535 HydrophobicContact CG1-CD2 4.06Å; V466-Y535 HydrophobicContact CG1-CE2 4.06Å; L471-Y535 HydrophobicContact CB-CE1 4.43Å; L471-Y535 HydrophobicContact CB-CE2 4.01Å; L471-Y535 WeakPolarHBondContact CB-OH 3.39Å; L471-Y535 PolarHBondContact O-OH 3.47Å; P472-Y535 PolarHBondContact O-OH 2.87Å; V531-Y535 HydrophobicContact CG1-CD2 4.29Å; V531-Y535 HydrophobicContact CG1-CE2 3.89Å; V531-Y535 WeakPolarHBondContact O-CD2 3.3Å; V531-Y535 PolarHBondContact O-N 2.84Å; F532-Y535 PolarHBondContact O-N 2.92Å; E533-Y535 VanDerWaalsContact C-N 3.32Å; E533-Y535 PolarHBondContact O-N 3.01Å; Y535-D538 PolarHBondContact O-N 3.24Å; Y535-E539 WeakPolarHBondContact O-CG 3.19Å; Y535-E539 PolarHBondContact O-N 2.84Å; Y535-E539 VanDerWaalsContact O-N 3.12Å
536L79.6Confident73.9Confident23 Ų2354 Ų5412%0.1229%0.294CS..Hα-helixtrans-67.2-40.2178.3-170.568.8000111F532 E533 K534 E539 L540 V555 A558 L559F532-L536 PolarHBondContact O-N 2.85Å; E533-L536 PolarHBondContact O-N 2.75Å; E533-L536 VanDerWaalsContact O-N 3.07Å; K534-L536 PolarHBondContact O-N 3.39Å; L536-E539 PolarHBondContact O-N 3.34Å; L536-L540 HydrophobicContact CG-CD1 4.09Å; L536-L540 WeakPolarHBondContact O-CB 3.02Å; L536-L540 VanDerWaalsContact O-CG 3.26Å; L536-L540 WeakPolarHBondContact O-CG 3.5Å; L536-L540 PolarHBondContact O-N 3.13Å; L536-V555 HydrophobicContact CD2-CG1 4.35Å; L536-A558 HydrophobicContact CD1-CB 3.86Å; L536-L559 HydrophobicContact CD1-CD2 3.77Å; L536-L559 HydrophobicContact CD1-CG 4.12Å
537E80.4Confident74.2Confident110 Ų11050.5 Ų50.551%0.51427%0.265SS..Hα-helixtrans-61.3-44.6173.9-75.3-176.2162.300111.8E533 K534 E539 L540 Q541E533-E537 HydrophobicContact CG-CG 4.45Å; E533-E537 WeakPolarHBondContact O-CG 3.32Å; E533-E537 PolarHBondContact O-N 3.08Å; K534-E537 PolarHBondContact O-N 3.37Å; E537-E539 VanDerWaalsContact C-N 3.33Å; E537-E539 PolarHBondContact O-N 3.5Å; E537-L540 PolarHBondContact O-N 3.16Å; E537-Q541 WeakPolarHBondContact O-CB 3.27Å; E537-Q541 PolarHBondContact O-N 2.87Å
538D80.5Confident74.4Confident56 Ų5648.5 Ų48.530%0.29926%0.263SS..Hα-helixtrans-60.9-41.9176.9-72.3-22000111.4K534 Y535 T542K534-D538 VanDerWaalsContact O-CG 3.27Å; K534-D538 PolarHBondContact O-N 3.2Å; Y535-D538 PolarHBondContact O-N 3.24Å; D538-T542 PolarHBondContact O-N 3.35Å; D538-T542 PolarHBondContact O-OG1 3.34Å
539E81.4Confident75Confident5 Ų548 Ų482%0.02326%0.26CS..Hα-helixtrans-69.4-40175.2-67.1-56151.600112.5Y535 L536 E537 Q541 T542 I543 A558 Q561 L562 R565Y535-E539 WeakPolarHBondContact O-CG 3.19Å; Y535-E539 PolarHBondContact O-N 2.84Å; Y535-E539 VanDerWaalsContact O-N 3.12Å; L536-E539 PolarHBondContact O-N 3.34Å; E537-E539 VanDerWaalsContact C-N 3.33Å; E537-E539 PolarHBondContact O-N 3.5Å; E539-Q541 VanDerWaalsContact C-N 3.33Å; E539-T542 CarbonylContact O-C 3.4Å; E539-T542 WeakPolarHBondContact O-CB 3.18Å; E539-T542 PolarHBondContact O-N 3.12Å; E539-T542 VanDerWaalsContact O-N 3.17Å; E539-I543 WeakPolarHBondContact O-CG1 3.22Å; E539-I543 PolarHBondContact O-N 3.49Å; E539-A558 HydrophobicContact CB-CB 4.03Å; E539-Q561 VanDerWaalsContact OE2-CG 3.25Å; E539-Q561 WeakPolarHBondContact OE2-CG 2.87Å; E539-Q561 PolarHBondContact OE2-NE2 3.32Å; E539-L562 HydrophobicContact CG-CB 4.05Å; E539-L562 HydrophobicContact CG-CD1 3.93Å; E539-L562 HydrophobicContact CG-CG 4.5Å; E539-R565 WeakPolarHBondContact OE1-CD 3.44Å; E539-R565 IonicContact OE1-CZ 2.71Å; E539-R565 VanDerWaalsContact OE1-CZ 3.26Å; E539-R565 IonicContact OE1-NE 3.56Å; E539-R565 PolarHBondContact OE1-NE 2.9Å; E539-R565 IonicContact OE1-NH1 3.08Å; E539-R565 PolarHBondContact OE1-NH1 3.02Å; E539-R565 IonicContact OE2-CZ 3.39Å; E539-R565 IonicContact OE2-NE 3.26Å; E539-R565 PolarHBondContact OE2-NE 3.4Å; E539-R565 IonicContact OE2-NH1 2.91Å; E539-R565 PolarHBondContact OE2-NH1 3.3Å; E539-R565 IonicContact OE2-NH2 3.65Å
540L82.3Confident75Confident39 Ų3951.4 Ų51.420%0.20428%0.276CS..Hα-helixtrans-61.2-43.2174.8-80.6166.2000111.1L536 E537 T542 I543 E544 M550 C554 V555 A558L536-L540 HydrophobicContact CG-CD1 4.09Å; L536-L540 WeakPolarHBondContact O-CB 3.02Å; L536-L540 VanDerWaalsContact O-CG 3.26Å; L536-L540 WeakPolarHBondContact O-CG 3.5Å; L536-L540 PolarHBondContact O-N 3.13Å; E537-L540 PolarHBondContact O-N 3.16Å; L540-T542 VanDerWaalsContact C-N 3.28Å; L540-T542 PolarHBondContact O-N 2.83Å; L540-I543 CarbonylContact O-C 3.36Å; L540-I543 PolarHBondContact O-N 2.85Å; L540-I543 VanDerWaalsContact O-N 3.11Å; L540-E544 WeakPolarHBondContact O-CB 3.35Å; L540-E544 PolarHBondContact O-N 2.94Å; L540-M550 HydrophobicContact CD2-SD 4.45Å; L540-C554 HydrophobicContact CD2-CB 4.32Å; L540-V555 HydrophobicContact CD2-CG2 4.33Å; L540-A558 HydrophobicContact CD2-CB 3.94Å; L540-A558 HydrophobicContact CG-CB 3.89Å
541Q83Confident75.2Confident130 Ų13050.2 Ų50.261%0.60727%0.267SS*.Hα-helixtrans-64.4-36.2175.4-167.5172.840.700111.3E537 E539 E544 S545E537-Q541 WeakPolarHBondContact O-CB 3.27Å; E537-Q541 PolarHBondContact O-N 2.87Å; E539-Q541 VanDerWaalsContact C-N 3.33Å; Q541-E544 PolarHBondContact O-N 3.21Å; Q541-S545 PolarHBondContact O-N 3.21Å
542T81Confident75.3Confident42 Ų4251.6 Ų51.626%0.25828%0.279SS..Hα-helixtrans-63.6-44.8172.1-42.10000110.6D538 E539 L540 S545 Y546D538-T542 PolarHBondContact O-N 3.35Å; D538-T542 PolarHBondContact O-OG1 3.34Å; E539-T542 CarbonylContact O-C 3.4Å; E539-T542 WeakPolarHBondContact O-CB 3.18Å; E539-T542 PolarHBondContact O-N 3.12Å; E539-T542 VanDerWaalsContact O-N 3.17Å; L540-T542 VanDerWaalsContact C-N 3.28Å; L540-T542 PolarHBondContact O-N 2.83Å; T542-S545 WeakPolarHBondContact O-CB 3.4Å; T542-S545 PolarHBondContact O-N 3.49Å; T542-S545 PolarHBondContact O-OG 3.46Å; T542-Y546 HydrophobicContact CG2-CE1 4.32Å; T542-Y546 VanDerWaalsContact O-CD1 3.27Å; T542-Y546 WeakPolarHBondContact O-CD1 3.34Å; T542-Y546 WeakPolarHBondContact O-CE1 3.37Å
543I79.4Confident75.4Confident0 Ų055.5 Ų55.50%030%0.3CS..Hα-helixtrans-63.3-42177.7-72.9173.6000111.6E539 L540 S545 Y546 V547 M550 C554 A558 Q561 W580E539-I543 WeakPolarHBondContact O-CG1 3.22Å; E539-I543 PolarHBondContact O-N 3.49Å; L540-I543 CarbonylContact O-C 3.36Å; L540-I543 PolarHBondContact O-N 2.85Å; L540-I543 VanDerWaalsContact O-N 3.11Å; I543-S545 PolarHBondContact O-N 2.94Å; I543-S545 VanDerWaalsContact O-N 3.17Å; I543-Y546 VanDerWaalsContact CA-CZ 3.48Å; I543-Y546 HydrophobicContact CB-CE2 4.17Å; I543-Y546 HydrophobicContact CG1-CE2 3.98Å; I543-Y546 VanDerWaalsContact CG1-OH 3.26Å; I543-Y546 WeakPolarHBondContact CG1-OH 3.21Å; I543-Y546 HydrophobicContact CG2-CE2 4.18Å; I543-Y546 CarbonylContact O-C 3.32Å; I543-Y546 WeakPolarHBondContact O-CD2 3.43Å; I543-Y546 PolarHBondContact O-N 3.22Å; I543-V547 HydrophobicContact CG2-CB 3.87Å; I543-V547 HydrophobicContact CG2-CG2 3.67Å; I543-V547 WeakPolarHBondContact O-CB 3.16Å; I543-V547 PolarHBondContact O-N 3.45Å; I543-M550 HydrophobicContact CG2-CE 4.3Å; I543-C554 HydrophobicContact CG2-CB 4.31Å; I543-A558 HydrophobicContact CD1-CB 3.77Å; I543-Q561 VanDerWaalsContact CG1-OE1 3.3Å; I543-W580 HydrophobicContact CG2-CH2 4.14Å
544E78Confident75.7Confident102 Ų10251.9 Ų51.948%0.47728%0.284SS..Hα-helixtrans-57.2-31176.8-168.8176.2-163.300112.4L540 Q541 Y546 V547 M550L540-E544 WeakPolarHBondContact O-CB 3.35Å; L540-E544 PolarHBondContact O-N 2.94Å; Q541-E544 PolarHBondContact O-N 3.21Å; E544-Y546 PolarHBondContact O-N 3.37Å; E544-Y546 VanDerWaalsContact O-N 3.12Å; E544-V547 WeakPolarHBondContact CA-O 3.24Å; E544-V547 PolarHBondContact O-N 3.18Å; E544-M550 VanDerWaalsContact CA-CE 3.47Å; E544-M550 HydrophobicContact CB-CE 3.71Å; E544-M550 HydrophobicContact CB-SD 4.14Å; E544-M550 HydrophobicContact CG-CE 3.98Å; E544-M550 HydrophobicContact CG-CG 4.44Å; E544-M550 HydrophobicContact CG-SD 4.46Å
545S76.3Confident76Confident57 Ų5749 Ų4940%0.39927%0.274SS..THydrogen-bonded Turntrans-62.5-20.7176.282.10000114.5Q541 T542 I543 R672Q541-S545 PolarHBondContact O-N 3.21Å; T542-S545 WeakPolarHBondContact O-CB 3.4Å; T542-S545 PolarHBondContact O-N 3.49Å; T542-S545 PolarHBondContact O-OG 3.46Å; I543-S545 PolarHBondContact O-N 2.94Å; I543-S545 VanDerWaalsContact O-N 3.17Å; S545-R672 PolarHBondContact O-NH1 3.46Å
546Y73.4Confident76.5Confident10 Ų1048.3 Ų48.34%0.03927%0.272CS..THydrogen-bonded Turntrans-127.3-3176.449.2-97.9000114.8T542 I543 E544 Q561 L581 L669 L673 Q676T542-Y546 HydrophobicContact CG2-CE1 4.32Å; T542-Y546 VanDerWaalsContact O-CD1 3.27Å; T542-Y546 WeakPolarHBondContact O-CD1 3.34Å; T542-Y546 WeakPolarHBondContact O-CE1 3.37Å; I543-Y546 VanDerWaalsContact CA-CZ 3.48Å; I543-Y546 HydrophobicContact CB-CE2 4.17Å; I543-Y546 HydrophobicContact CG1-CE2 3.98Å; I543-Y546 VanDerWaalsContact CG1-OH 3.26Å; I543-Y546 WeakPolarHBondContact CG1-OH 3.21Å; I543-Y546 HydrophobicContact CG2-CE2 4.18Å; I543-Y546 CarbonylContact O-C 3.32Å; I543-Y546 WeakPolarHBondContact O-CD2 3.43Å; I543-Y546 PolarHBondContact O-N 3.22Å; E544-Y546 PolarHBondContact O-N 3.37Å; E544-Y546 VanDerWaalsContact O-N 3.12Å; Y546-Q561 PolarHBondContact OH-OE1 2.96Å; Y546-L581 HydrophobicContact CE2-CD2 4.33Å; Y546-L669 VanDerWaalsContact O-CD2 3.23Å; Y546-L669 WeakPolarHBondContact O-CD2 3.49Å; Y546-L669 VanDerWaalsContact O-CG 3.27Å; Y546-L669 WeakPolarHBondContact O-CG 3.28Å; Y546-L673 HydrophobicContact CD2-CG 4.29Å; Y546-L673 WeakPolarHBondContact O-CD1 3.43Å; Y546-Q676 HydrophobicContact CE1-CG 4.46Å
547V66.6Low76.9Confident0 Ų047.2 Ų47.20%027%0.266CS..  trans-123.3101.1174.4172.80000106.9I543 E544 T549 M550 C554 W580 Y584I543-V547 HydrophobicContact CG2-CB 3.87Å; I543-V547 HydrophobicContact CG2-CG2 3.67Å; I543-V547 WeakPolarHBondContact O-CB 3.16Å; I543-V547 PolarHBondContact O-N 3.45Å; E544-V547 WeakPolarHBondContact CA-O 3.24Å; E544-V547 PolarHBondContact O-N 3.18Å; V547-T549 VanDerWaalsContact C-N 3.31Å; V547-T549 WeakPolarHBondContact CG1-O 3.28Å; V547-T549 PolarHBondContact O-N 3.46Å; V547-M550 HydrophobicContact CB-CE 3.94Å; V547-M550 HydrophobicContact CG1-CE 3.77Å; V547-M550 WeakPolarHBondContact O-CE 3.46Å; V547-C554 VanDerWaalsContact CG1-SG 3.58Å; V547-W580 HydrophobicContact CG2-CH2 4.34Å; V547-Y584 HydrophobicContact CB-CE1 4.29Å; V547-Y584 HydrophobicContact CG1-CE1 3.94Å; V547-Y584 HydrophobicContact CG1-CE2 3.89Å; V547-Y584 WeakPolarHBondContact CG1-OH 3.45Å; V547-Y584 HydrophobicContact CG2-CD1 4.19Å; V547-Y584 HydrophobicContact CG2-CE1 3.72Å
548G63.4Low77.2Confident38 Ų3842 Ų4239%0.39224%0.242SC..SBendtrans-71-21-170.300000115.2
549T65.2Low77.6Confident43 Ų4339.3 Ų39.326%0.26423%0.227SC..SBendtrans-119.6118.6175.738.10000110.8V547 T551 E596V547-T549 VanDerWaalsContact C-N 3.31Å; V547-T549 WeakPolarHBondContact CG1-O 3.28Å; V547-T549 PolarHBondContact O-N 3.46Å; T549-T551 PolarHBondContact O-N 3.45Å; T549-E596 HydrophobicContact CG2-CB 4.32Å
550M66.5Low77.9Confident79 Ų7939.4 Ų39.439%0.38923%0.228SC..  trans-73.6120.2176.6-70.2-6397.800110.9L540 I543 E544 V547 C554L540-M550 HydrophobicContact CD2-SD 4.45Å; I543-M550 HydrophobicContact CG2-CE 4.3Å; E544-M550 VanDerWaalsContact CA-CE 3.47Å; E544-M550 HydrophobicContact CB-CE 3.71Å; E544-M550 HydrophobicContact CB-SD 4.14Å; E544-M550 HydrophobicContact CG-CE 3.98Å; E544-M550 HydrophobicContact CG-CG 4.44Å; E544-M550 HydrophobicContact CG-SD 4.46Å; V547-M550 HydrophobicContact CB-CE 3.94Å; V547-M550 HydrophobicContact CG1-CE 3.77Å; V547-M550 WeakPolarHBondContact O-CE 3.46Å; M550-C554 HydrophobicContact CE-CB 4.35Å; M550-C554 HydrophobicContact SD-CB 4.01Å
551T71.5Confident78.3Confident67 Ų6737.6 Ų37.641%0.41122%0.219SC..  trans-118.9167.4172.261.10000110.2T549 D553 C554T549-T551 PolarHBondContact O-N 3.45Å; T551-D553 PolarHBondContact O-N 2.84Å; T551-D553 VanDerWaalsContact O-N 3.13Å; T551-C554 PolarHBondContact N-SG 3.39Å; T551-C554 VanDerWaalsContact N-SG 3.41Å; T551-C554 VanDerWaalsContact O-CB 3.22Å; T551-C554 WeakPolarHBondContact O-CB 3.48Å; T551-C554 PolarHBondContact O-N 2.73Å
552S70Confident78.5Confident85 Ų8531.6 Ų31.659%0.59419%0.19SC*.Hα-helixtrans-54.2-31.3173.254.50000112.7C554 V555S552-C554 PolarHBondContact O-N 3.43Å; S552-V555 WeakPolarHBondContact O-CB 3.27Å; S552-V555 PolarHBondContact O-N 3.05Å
553D78.5Confident78.8Confident86 Ų8629.6 Ų29.646%0.4618%0.178SC..Hα-helixtrans-67.3-23.1177.1-67.6-14.3000113T551 V555 V556 G557 W580T551-D553 PolarHBondContact O-N 2.84Å; T551-D553 VanDerWaalsContact O-N 3.13Å; D553-V555 VanDerWaalsContact C-N 3.26Å; D553-V555 PolarHBondContact O-N 3.2Å; D553-V556 WeakPolarHBondContact O-CB 3.24Å; D553-V556 PolarHBondContact O-N 3.44Å; D553-G557 PolarHBondContact O-N 3.43Å; D553-W580 WeakPolarHBondContact O-CZ2 3.43Å; D553-W580 PolarHBondContact O-NE1 2.83Å; D553-W580 VanDerWaalsContact O-NE1 3.12Å
554C81.2Confident79.2Confident1 Ų130.2 Ų30.21%0.00718%0.182CC..Hα-helixtrans-67.2-30175.4-61.60000111.5L540 I543 V547 M550 T551 S552 V556 G557 A558L540-C554 HydrophobicContact CD2-CB 4.32Å; I543-C554 HydrophobicContact CG2-CB 4.31Å; V547-C554 VanDerWaalsContact CG1-SG 3.58Å; M550-C554 HydrophobicContact CE-CB 4.35Å; M550-C554 HydrophobicContact SD-CB 4.01Å; T551-C554 PolarHBondContact N-SG 3.39Å; T551-C554 VanDerWaalsContact N-SG 3.41Å; T551-C554 VanDerWaalsContact O-CB 3.22Å; T551-C554 WeakPolarHBondContact O-CB 3.48Å; T551-C554 PolarHBondContact O-N 2.73Å; S552-C554 PolarHBondContact O-N 3.43Å; C554-V556 VanDerWaalsContact C-N 3.34Å; C554-G557 PolarHBondContact O-N 3.38Å; C554-A558 WeakPolarHBondContact O-CB 3.27Å; C554-A558 PolarHBondContact O-N 3.12Å
555V82.9Confident79.5Confident34 Ų3429.1 Ų29.121%0.20617%0.174CC..Hα-helixtrans-65.1-40.6172.9-175.60000110.5M514 L536 L540 S552 D553 G557 A558 L559M514-V555 HydrophobicContact CE-CB 4.1Å; M514-V555 HydrophobicContact CE-CG1 3.91Å; M514-V555 HydrophobicContact SD-CG1 4.34Å; L536-V555 HydrophobicContact CD2-CG1 4.35Å; L540-V555 HydrophobicContact CD2-CG2 4.33Å; S552-V555 WeakPolarHBondContact O-CB 3.27Å; S552-V555 PolarHBondContact O-N 3.05Å; D553-V555 VanDerWaalsContact C-N 3.26Å; D553-V555 PolarHBondContact O-N 3.2Å; V555-G557 VanDerWaalsContact C-N 3.33Å; V555-G557 PolarHBondContact O-N 3.03Å; V555-A558 PolarHBondContact O-N 3Å; V555-L559 HydrophobicContact CG1-CD1 4.41Å; V555-L559 VanDerWaalsContact O-CG 3.32Å; V555-L559 WeakPolarHBondContact O-CG 3.42Å; V555-L559 PolarHBondContact O-N 3.28Å
556V86.2Confident79.7Confident7 Ų727.3 Ų27.34%0.04216%0.159CC..Hα-helixtrans-61.5-44.8174.3-179.70000110.3M514 T515 D553 C554 A558 L559 L560M514-V556 HydrophobicContact CB-CG2 4.11Å; M514-V556 HydrophobicContact CE-CG2 4.26Å; T515-V556 HydrophobicContact CG2-CG1 3.78Å; T515-V556 HydrophobicContact CG2-CG2 4.12Å; D553-V556 WeakPolarHBondContact O-CB 3.24Å; D553-V556 PolarHBondContact O-N 3.44Å; C554-V556 VanDerWaalsContact C-N 3.34Å; V556-A558 VanDerWaalsContact C-N 3.34Å; V556-A558 PolarHBondContact O-N 3.05Å; V556-L559 PolarHBondContact O-N 3.2Å; V556-L560 HydrophobicContact CG1-CD1 4.23Å; V556-L560 WeakPolarHBondContact O-CG 3.41Å; V556-L560 PolarHBondContact O-N 3.32Å
557G86.6Confident80Confident0 Ų027.1 Ų27.10%016%0.159CC..Hα-helixtrans-57.2-44.417300000112.6D553 C554 V555 L560 Q561D553-G557 PolarHBondContact O-N 3.43Å; C554-G557 PolarHBondContact O-N 3.38Å; V555-G557 VanDerWaalsContact C-N 3.33Å; V555-G557 PolarHBondContact O-N 3.03Å; G557-L560 PolarHBondContact O-N 2.76Å; G557-Q561 WeakPolarHBondContact O-CB 3.23Å; G557-Q561 PolarHBondContact O-N 2.75Å
558A87.3Confident80.8Confident0 Ų030.2 Ų30.20%018%0.179CC..Hα-helixtrans-64-43.9-179.500000111.5L536 E539 L540 I543 C554 V555 V556 L560 Q561 L562L536-A558 HydrophobicContact CD1-CB 3.86Å; E539-A558 HydrophobicContact CB-CB 4.03Å; L540-A558 HydrophobicContact CD2-CB 3.94Å; L540-A558 HydrophobicContact CG-CB 3.89Å; I543-A558 HydrophobicContact CD1-CB 3.77Å; C554-A558 WeakPolarHBondContact O-CB 3.27Å; C554-A558 PolarHBondContact O-N 3.12Å; V555-A558 PolarHBondContact O-N 3Å; V556-A558 VanDerWaalsContact C-N 3.34Å; V556-A558 PolarHBondContact O-N 3.05Å; A558-L560 PolarHBondContact O-N 3.24Å; A558-Q561 PolarHBondContact O-N 3.18Å; A558-L562 VanDerWaalsContact O-CB 3.29Å; A558-L562 WeakPolarHBondContact O-CB 3.23Å; A558-L562 PolarHBondContact O-N 3.09Å
559L88.1Confident81.7Confident0 Ų032.6 Ų32.60%019%0.186CC..Hα-helixtrans-62.8-41.8176-68.5171.7000112.1L507 M514 F532 L536 V555 V556 S563L507-L559 HydrophobicContact CD2-CD2 3.69Å; M514-L559 HydrophobicContact SD-CD1 3.78Å; F532-L559 HydrophobicContact CZ-CD2 4.01Å; L536-L559 HydrophobicContact CD1-CD2 3.77Å; L536-L559 HydrophobicContact CD1-CG 4.12Å; V555-L559 HydrophobicContact CG1-CD1 4.41Å; V555-L559 VanDerWaalsContact O-CG 3.32Å; V555-L559 WeakPolarHBondContact O-CG 3.42Å; V555-L559 PolarHBondContact O-N 3.28Å; V556-L559 PolarHBondContact O-N 3.2Å; L559-S563 WeakPolarHBondContact O-CB 3.22Å; L559-S563 PolarHBondContact O-N 3.34Å
560L89.6Confident82.6Confident7 Ų731.7 Ų31.74%0.03718%0.179CC..Hα-helixtrans-65.8-42.9176.6-72.5172.9000111.4L508 S511 V556 G557 A558 S563 T564 L576 F577 W580L508-L560 HydrophobicContact CD1-CD2 4.48Å; S511-L560 WeakPolarHBondContact OG-CD2 3.43Å; V556-L560 HydrophobicContact CG1-CD1 4.23Å; V556-L560 WeakPolarHBondContact O-CG 3.41Å; V556-L560 PolarHBondContact O-N 3.32Å; G557-L560 PolarHBondContact O-N 2.76Å; A558-L560 PolarHBondContact O-N 3.24Å; L560-S563 WeakPolarHBondContact O-CB 3.32Å; L560-S563 PolarHBondContact O-N 2.91Å; L560-T564 WeakPolarHBondContact O-CG2 3.34Å; L560-T564 PolarHBondContact O-N 2.96Å; L560-T564 VanDerWaalsContact O-N 3.08Å; L560-L576 HydrophobicContact CD1-CB 4.48Å; L560-L576 HydrophobicContact CD2-CB 3.94Å; L560-F577 HydrophobicContact CB-CB 4.1Å; L560-F577 HydrophobicContact CB-CD2 3.87Å; L560-F577 HydrophobicContact CB-CG 4.35Å; L560-W580 HydrophobicContact CD1-CB 3.96Å; L560-W580 HydrophobicContact CD1-CG 4.34Å
561Q89.4Confident83.4Confident2 Ų230.2 Ų30.21%0.00917%0.17CC..Hα-helixtrans-64.9-45.6177.1-174.4172.5-29.700112E539 I543 Y546 G557 A558 S563 T564 R565 F577E539-Q561 VanDerWaalsContact OE2-CG 3.25Å; E539-Q561 WeakPolarHBondContact OE2-CG 2.87Å; E539-Q561 PolarHBondContact OE2-NE2 3.32Å; I543-Q561 VanDerWaalsContact CG1-OE1 3.3Å; Y546-Q561 PolarHBondContact OH-OE1 2.96Å; G557-Q561 WeakPolarHBondContact O-CB 3.23Å; G557-Q561 PolarHBondContact O-N 2.75Å; A558-Q561 PolarHBondContact O-N 3.18Å; Q561-S563 VanDerWaalsContact C-N 3.27Å; Q561-S563 PolarHBondContact O-N 3.35Å; Q561-T564 PolarHBondContact O-N 3.19Å; Q561-T564 VanDerWaalsContact O-N 3.08Å; Q561-T564 PolarHBondContact O-OG1 3.38Å; Q561-R565 PolarHBondContact O-N 3.38Å; Q561-F577 HydrophobicContact CB-CD2 4.36Å; Q561-F577 HydrophobicContact CB-CE1 4.3Å; Q561-F577 HydrophobicContact CB-CE2 3.83Å; Q561-F577 HydrophobicContact CB-CZ 3.79Å; Q561-F577 HydrophobicContact CG-CE1 4.23Å; Q561-F577 HydrophobicContact CG-CE2 4.48Å; Q561-F577 HydrophobicContact CG-CZ 3.94Å
562L86.5Confident84.1Confident3 Ų332.9 Ų32.92%0.01618%0.176CC..Hα-helixtrans-57.7-43.3175.1-170.360.5000110.8L475 L507 F532 E539 A558 T564 R565 L566L475-L562 HydrophobicContact CD1-CD1 4.37Å; L507-L562 HydrophobicContact CD1-CB 4.24Å; L507-L562 HydrophobicContact CD1-CD2 3.99Å; L507-L562 HydrophobicContact CD1-CG 3.96Å; L507-L562 HydrophobicContact CD2-CD2 4.31Å; F532-L562 HydrophobicContact CE2-CD2 3.74Å; F532-L562 HydrophobicContact CZ-CD2 4.3Å; E539-L562 HydrophobicContact CG-CB 4.05Å; E539-L562 HydrophobicContact CG-CD1 3.93Å; E539-L562 HydrophobicContact CG-CG 4.5Å; A558-L562 VanDerWaalsContact O-CB 3.29Å; A558-L562 WeakPolarHBondContact O-CB 3.23Å; A558-L562 PolarHBondContact O-N 3.09Å; L562-T564 VanDerWaalsContact C-N 3.31Å; L562-T564 PolarHBondContact O-N 2.67Å; L562-R565 PolarHBondContact O-N 3.26Å; L562-L566 HydrophobicContact CD1-CD1 4.23Å; L562-L566 HydrophobicContact CD1-CG 4.32Å; L562-L566 HydrophobicContact CD2-CD1 4.44Å; L562-L566 HydrophobicContact CG-CD1 3.77Å; L562-L566 HydrophobicContact CG-CG 4.33Å; L562-L566 WeakPolarHBondContact O-CB 3.37Å; L562-L566 WeakPolarHBondContact O-CD1 3.27Å; L562-L566 VanDerWaalsContact O-CG 3.27Å; L562-L566 WeakPolarHBondContact O-CG 3.46Å; L562-L566 PolarHBondContact O-N 3.33Å
563S88.4Confident84.9Confident0 Ų028.9 Ų28.90%015%0.148CC..Hα-helixtrans-55.5-45.5174.7-178.30000111.8G504 L559 L560 Q561 R565 D567G504-S563 WeakPolarHBondContact CA-OG 3.44Å; G504-S563 PolarHBondContact O-OG 2.83Å; L559-S563 WeakPolarHBondContact O-CB 3.22Å; L559-S563 PolarHBondContact O-N 3.34Å; L560-S563 WeakPolarHBondContact O-CB 3.32Å; L560-S563 PolarHBondContact O-N 2.91Å; Q561-S563 VanDerWaalsContact C-N 3.27Å; Q561-S563 PolarHBondContact O-N 3.35Å; S563-R565 PolarHBondContact O-N 3.19Å; S563-D567 PolarHBondContact O-N 3.4Å; S563-D567 VanDerWaalsContact O-N 3.08Å
564T87.1Confident85.4Confident13 Ų1325.3 Ų25.38%0.0813%0.128CC..Hα-helixtrans-69.2-29.7178.5630000114.3L560 Q561 L562 D567 P568 G573 H574 F577L560-T564 WeakPolarHBondContact O-CG2 3.34Å; L560-T564 PolarHBondContact O-N 2.96Å; L560-T564 VanDerWaalsContact O-N 3.08Å; Q561-T564 PolarHBondContact O-N 3.19Å; Q561-T564 VanDerWaalsContact O-N 3.08Å; Q561-T564 PolarHBondContact O-OG1 3.38Å; L562-T564 VanDerWaalsContact C-N 3.31Å; L562-T564 PolarHBondContact O-N 2.67Å; T564-D567 CarbonylContact O-C 3.52Å; T564-P568 WeakPolarHBondContact O-CA 3.44Å; T564-G573 VanDerWaalsContact CG2-C 3.49Å; T564-H574 VanDerWaalsContact CB-CE1 3.47Å; T564-H574 WeakPolarHBondContact CB-CE1 3.39Å; T564-H574 HydrophobicContact CG2-CB 4.38Å; T564-F577 HydrophobicContact CG2-CB 4.3Å
565R84Confident85.7Confident80 Ų8026 Ų2630%0.30213%0.132SC..Hα-helixtrans-77.8-39.3177.7-74.8178.4177.7-170.74.9112.1L475 E539 Q561 L562 S563L475-R565 HydrophobicContact CD1-CB 4.35Å; E539-R565 WeakPolarHBondContact OE1-CD 3.44Å; E539-R565 IonicContact OE1-CZ 2.71Å; E539-R565 VanDerWaalsContact OE1-CZ 3.26Å; E539-R565 IonicContact OE1-NE 3.56Å; E539-R565 PolarHBondContact OE1-NE 2.9Å; E539-R565 IonicContact OE1-NH1 3.08Å; E539-R565 PolarHBondContact OE1-NH1 3.02Å; E539-R565 IonicContact OE2-CZ 3.39Å; E539-R565 IonicContact OE2-NE 3.26Å; E539-R565 PolarHBondContact OE2-NE 3.4Å; E539-R565 IonicContact OE2-NH1 2.91Å; E539-R565 PolarHBondContact OE2-NH1 3.3Å; E539-R565 IonicContact OE2-NH2 3.65Å; Q561-R565 PolarHBondContact O-N 3.38Å; L562-R565 PolarHBondContact O-N 3.26Å; S563-R565 PolarHBondContact O-N 3.19Å
566L81.5Confident86Confident19 Ų1926.7 Ų26.710%0.09913%0.134CC..Hα-helixtrans-68.9-39.7177.5-69.4165.7000112L471 L475 M500 L503 L507 L562L471-L566 HydrophobicContact CD1-CD2 4.12Å; L471-L566 HydrophobicContact CD2-CD2 3.88Å; L475-L566 HydrophobicContact CD1-CD2 4.3Å; L475-L566 HydrophobicContact CD2-CD2 4.46Å; M500-L566 HydrophobicContact SD-CD2 4.13Å; L503-L566 HydrophobicContact CD2-CD1 3.58Å; L503-L566 HydrophobicContact CD2-CD2 4.17Å; L503-L566 HydrophobicContact CD2-CG 4.4Å; L503-L566 HydrophobicContact CG-CD1 4.12Å; L507-L566 HydrophobicContact CD1-CD1 3.43Å; L507-L566 VanDerWaalsContact CD1-CD1 3.43Å; L562-L566 HydrophobicContact CD1-CD1 4.23Å; L562-L566 HydrophobicContact CD1-CG 4.32Å; L562-L566 HydrophobicContact CD2-CD1 4.44Å; L562-L566 HydrophobicContact CG-CD1 3.77Å; L562-L566 HydrophobicContact CG-CG 4.33Å; L562-L566 WeakPolarHBondContact O-CB 3.37Å; L562-L566 WeakPolarHBondContact O-CD1 3.27Å; L562-L566 VanDerWaalsContact O-CG 3.27Å; L562-L566 WeakPolarHBondContact O-CG 3.46Å; L562-L566 PolarHBondContact O-N 3.33Å
567D80.2Confident86.2Confident6 Ų626.4 Ų26.43%0.03213%0.132CC..  trans-125.689.2172.1-171.2-4.6000111.5N501 S563 T564 T569 F570N501-D567 WeakPolarHBondContact CA-OD2 3.45Å; N501-D567 WeakPolarHBondContact CB-OD2 3.33Å; N501-D567 PolarHBondContact ND2-OD2 2.96Å; S563-D567 PolarHBondContact O-N 3.4Å; S563-D567 VanDerWaalsContact O-N 3.08Å; T564-D567 CarbonylContact O-C 3.52Å; D567-T569 PolarHBondContact O-N 2.7Å; D567-T569 VanDerWaalsContact O-N 3.08Å; D567-T569 WeakPolarHBondContact OD1-CA 3.37Å; D567-T569 WeakPolarHBondContact OD1-CB 3.2Å; D567-T569 PolarHBondContact OD1-N 3.31Å; D567-T569 PolarHBondContact OD1-OG1 3.43Å; D567-F570 HydrophobicContact CB-CB 3.82Å; D567-F570 WeakPolarHBondContact O-CB 3.41Å; D567-F570 PolarHBondContact O-N 3.22Å; D567-F570 PolarHBondContact OD1-N 3.09Å; D567-F570 WeakPolarHBondContact OD2-CB 3.48Å
568P82.1Confident86.4Confident65 Ų6526.6 Ų26.642%0.42213%0.134SC..THydrogen-bonded Turntrans-60.3-19.7175.7-24.835000113.7T564 H574 Q683T564-P568 WeakPolarHBondContact O-CA 3.44Å; P568-H574 PolarHBondContact O-NE2 3Å; P568-H574 VanDerWaalsContact O-NE2 3.13Å; P568-Q683 PolarHBondContact O-NE2 3.43Å
569T83.2Confident86.4Confident88 Ų8830 Ų3054%0.5415%0.15SC..THydrogen-bonded Turntrans-87.8-8.917967.30000113.4D567 F571D567-T569 PolarHBondContact O-N 2.7Å; D567-T569 VanDerWaalsContact O-N 3.08Å; D567-T569 WeakPolarHBondContact OD1-CA 3.37Å; D567-T569 WeakPolarHBondContact OD1-CB 3.2Å; D567-T569 PolarHBondContact OD1-N 3.31Å; D567-T569 PolarHBondContact OD1-OG1 3.43Å; T569-F571 PolarHBondContact O-N 2.85Å
570F83.9Confident86.6Confident24 Ų2431.5 Ų31.511%0.10516%0.155CC..  trans-79.388.4-176.4-175.2-138.5000112.7K505 L508 D567 K572 G573 H574K505-F570 HydrophobicContact CG-CE1 4.29Å; K505-F570 HydrophobicContact CG-CE2 3.96Å; K505-F570 HydrophobicContact CG-CZ 3.75Å; L508-F570 HydrophobicContact CB-CE1 4.27Å; L508-F570 HydrophobicContact CD1-CE1 3.72Å; L508-F570 HydrophobicContact CD1-CZ 4.06Å; D567-F570 HydrophobicContact CB-CB 3.82Å; D567-F570 WeakPolarHBondContact O-CB 3.41Å; D567-F570 PolarHBondContact O-N 3.22Å; D567-F570 PolarHBondContact OD1-N 3.09Å; D567-F570 WeakPolarHBondContact OD2-CB 3.48Å; F570-K572 VanDerWaalsContact C-N 3.34Å; F570-K572 HydrophobicContact CE2-CB 3.86Å; F570-K572 HydrophobicContact CZ-CB 3.91Å; F570-K572 PolarHBondContact O-N 3.29Å; F570-G573 PolarHBondContact O-N 3.27Å; F570-G573 VanDerWaalsContact O-N 3.08Å; F570-H574 PolarHBondContact O-CD2 2.8Å; F570-H574 VanDerWaalsContact O-CD2 3.29Å; F570-H574 PolarHBondContact O-N 2.67Å
571F84.3Confident86.5Confident47 Ų4731.1 Ų31.121%0.20615%0.154CC..Hα-helixtrans-49.5-46.8-177.9-179.4-106.7000114.8T569 G573 H574 I575 V684 L687 P689 H694T569-F571 PolarHBondContact O-N 2.85Å; F571-G573 VanDerWaalsContact C-N 3.29Å; F571-G573 PolarHBondContact O-N 3.5Å; F571-H574 PolarHBondContact O-N 2.91Å; F571-I575 HydrophobicContact CD1-CD1 3.76Å; F571-I575 HydrophobicContact CE1-CD1 3.08Å; F571-I575 HydrophobicContact CE1-CG1 4.08Å; F571-I575 HydrophobicContact CE2-CD1 4.26Å; F571-I575 HydrophobicContact CZ-CD1 3.35Å; F571-I575 HydrophobicContact CZ-CG1 4.03Å; F571-I575 PolarHBondContact O-N 3.5Å; F571-I575 VanDerWaalsContact O-N 3.16Å; F571-V684 HydrophobicContact CD2-CG1 4.36Å; F571-V684 HydrophobicContact CE2-CB 4.48Å; F571-V684 HydrophobicContact CE2-CG1 3.52Å; F571-V684 HydrophobicContact CZ-CG1 4.15Å; F571-L687 HydrophobicContact CB-CD1 4.39Å; F571-L687 HydrophobicContact CD2-CB 4.17Å; F571-L687 HydrophobicContact CD2-CD1 4.44Å; F571-P689 HydrophobicContact CE1-CB 4.25Å; F571-P689 HydrophobicContact CE2-CB 3.67Å; F571-P689 HydrophobicContact CE2-CG 4.13Å; F571-P689 HydrophobicContact CZ-CB 3.5Å; F571-P689 HydrophobicContact CZ-CG 4.25Å; F571-H694 HydrophobicContact CE1-CB 4.24Å; F571-H694 HydrophobicContact CZ-CB 3.81Å
572K84.9Confident86.3Confident124 Ų12432.2 Ų32.254%0.53916%0.161SC..Hα-helixtrans-66-30.6-177.5-169166.7-174.1164.30112.9L508 F570 L576L508-K572 HydrophobicContact CD1-CG 4.39Å; F570-K572 VanDerWaalsContact C-N 3.34Å; F570-K572 HydrophobicContact CE2-CB 3.86Å; F570-K572 HydrophobicContact CZ-CB 3.91Å; F570-K572 PolarHBondContact O-N 3.29Å; K572-L576 PolarHBondContact O-N 2.74Å
573G86.4Confident86.3Confident0 Ų035.1 Ų35.10%018%0.182CC..Hα-helixtrans-62.1-46.1173.600000111.5T564 F570 F571 I575 L576 F577T564-G573 VanDerWaalsContact CG2-C 3.49Å; F570-G573 PolarHBondContact O-N 3.27Å; F570-G573 VanDerWaalsContact O-N 3.08Å; F571-G573 VanDerWaalsContact C-N 3.29Å; F571-G573 PolarHBondContact O-N 3.5Å; G573-I575 PolarHBondContact O-N 3.14Å; G573-L576 PolarHBondContact O-N 2.81Å; G573-F577 WeakPolarHBondContact O-CB 3.49Å; G573-F577 PolarHBondContact O-N 3.26Å
574H89.6Confident86Confident11 Ų1136.4 Ų36.45%0.05119%0.187CC..Hα-helixtrans-65.2-39.2179.1-67.6-76.4000112.7T564 P568 F570 F571 F577 A578 V680 V684T564-H574 VanDerWaalsContact CB-CE1 3.47Å; T564-H574 WeakPolarHBondContact CB-CE1 3.39Å; T564-H574 HydrophobicContact CG2-CB 4.38Å; P568-H574 PolarHBondContact O-NE2 3Å; P568-H574 VanDerWaalsContact O-NE2 3.13Å; F570-H574 PolarHBondContact O-CD2 2.8Å; F570-H574 VanDerWaalsContact O-CD2 3.29Å; F570-H574 PolarHBondContact O-N 2.67Å; F571-H574 PolarHBondContact O-N 2.91Å; H574-F577 PolarHBondContact O-N 2.76Å; H574-A578 WeakPolarHBondContact O-CB 3.43Å; H574-A578 PolarHBondContact O-N 3.49Å; H574-V680 HydrophobicContact CB-CG1 4.08Å; H574-V680 VanDerWaalsContact O-CG1 3.3Å; H574-V680 WeakPolarHBondContact O-CG1 3.31Å; H574-V684 HydrophobicContact CB-CG2 3.53Å
575I88.7Confident85.6Confident16 Ų1636.4 Ų36.48%0.08219%0.187CC..Hα-helixtrans-60.2-54.5175.6-71.2175.1000110.9F571 G573 F577 A578 E579 H694F571-I575 HydrophobicContact CD1-CD1 3.76Å; F571-I575 HydrophobicContact CE1-CD1 3.08Å; F571-I575 HydrophobicContact CE1-CG1 4.08Å; F571-I575 HydrophobicContact CE2-CD1 4.26Å; F571-I575 HydrophobicContact CZ-CD1 3.35Å; F571-I575 HydrophobicContact CZ-CG1 4.03Å; F571-I575 PolarHBondContact O-N 3.5Å; F571-I575 VanDerWaalsContact O-N 3.16Å; G573-I575 PolarHBondContact O-N 3.14Å; I575-F577 PolarHBondContact O-N 2.97Å; I575-A578 WeakPolarHBondContact O-CB 3.41Å; I575-A578 PolarHBondContact O-N 2.81Å; I575-E579 HydrophobicContact CG2-CG 4.32Å; I575-E579 WeakPolarHBondContact O-CG 3.24Å; I575-E579 PolarHBondContact O-N 3.31Å; I575-H694 HydrophobicContact CD1-CB 3.97Å
576L88.4Confident85.4Confident48 Ų4834.7 Ų34.725%0.25119%0.19SC..Hα-helixtrans-64.6-34.5-176.3-66.7-170000111.4L508 L560 K572 G573 E579 W580L508-L576 HydrophobicContact CD1-CD1 3.49Å; L508-L576 VanDerWaalsContact CD1-CD1 3.49Å; L508-L576 HydrophobicContact CD1-CG 4.24Å; L508-L576 HydrophobicContact CD2-CD1 4.13Å; L508-L576 HydrophobicContact CG-CD1 3.8Å; L560-L576 HydrophobicContact CD1-CB 4.48Å; L560-L576 HydrophobicContact CD2-CB 3.94Å; K572-L576 PolarHBondContact O-N 2.74Å; G573-L576 PolarHBondContact O-N 2.81Å; L576-E579 VanDerWaalsContact CD2-OE2 3.27Å; L576-E579 WeakPolarHBondContact CD2-OE2 3.35Å; L576-E579 PolarHBondContact O-N 3.35Å; L576-W580 WeakPolarHBondContact O-CB 3.46Å; L576-W580 PolarHBondContact O-N 3.04Å
577F91Very high85.2Confident1 Ų137.8 Ų37.80%0.00421%0.207CC..Hα-helixtrans-65.4-41.5173.5-173.6-131.2000111.9L560 Q561 T564 G573 H574 I575 W580 L581 V680L560-F577 HydrophobicContact CB-CB 4.1Å; L560-F577 HydrophobicContact CB-CD2 3.87Å; L560-F577 HydrophobicContact CB-CG 4.35Å; Q561-F577 HydrophobicContact CB-CD2 4.36Å; Q561-F577 HydrophobicContact CB-CE1 4.3Å; Q561-F577 HydrophobicContact CB-CE2 3.83Å; Q561-F577 HydrophobicContact CB-CZ 3.79Å; Q561-F577 HydrophobicContact CG-CE1 4.23Å; Q561-F577 HydrophobicContact CG-CE2 4.48Å; Q561-F577 HydrophobicContact CG-CZ 3.94Å; T564-F577 HydrophobicContact CG2-CB 4.3Å; G573-F577 WeakPolarHBondContact O-CB 3.49Å; G573-F577 PolarHBondContact O-N 3.26Å; H574-F577 PolarHBondContact O-N 2.76Å; I575-F577 PolarHBondContact O-N 2.97Å; F577-W580 HydrophobicContact CD2-CE3 4.31Å; F577-W580 HydrophobicContact CE2-CE3 4.01Å; F577-W580 HydrophobicContact CE2-CZ3 4.27Å; F577-W580 PolarHBondContact O-N 2.87Å; F577-L581 HydrophobicContact CD1-CD1 4.16Å; F577-L581 HydrophobicContact CE1-CD1 3.85Å; F577-L581 HydrophobicContact CE2-CD1 4.39Å; F577-L581 HydrophobicContact CE2-CD2 4.37Å; F577-L581 HydrophobicContact CE2-CG 4.19Å; F577-L581 HydrophobicContact CZ-CD1 3.96Å; F577-L581 HydrophobicContact CZ-CD2 4.26Å; F577-L581 HydrophobicContact CZ-CG 4.19Å; F577-L581 WeakPolarHBondContact O-CG 3.39Å; F577-L581 PolarHBondContact O-N 2.95Å; F577-V680 HydrophobicContact CD1-CG1 4.32Å; F577-V680 HydrophobicContact CD1-CG2 3.56Å; F577-V680 HydrophobicContact CE1-CG2 3.67Å
578A89.7Confident84.8Confident4 Ų438 Ų383%0.03321%0.208CC..Hα-helixtrans-65.5-37.4175.100000112.8H574 I575 L581 S582 V680 F681H574-A578 WeakPolarHBondContact O-CB 3.43Å; H574-A578 PolarHBondContact O-N 3.49Å; I575-A578 WeakPolarHBondContact O-CB 3.41Å; I575-A578 PolarHBondContact O-N 2.81Å; A578-L581 PolarHBondContact O-N 2.92Å; A578-S582 WeakPolarHBondContact O-CB 3.49Å; A578-S582 PolarHBondContact O-N 3.45Å; A578-S582 PolarHBondContact O-OG 3.38Å; A578-V680 HydrophobicContact CB-CG1 3.85Å; A578-F681 HydrophobicContact CB-CD1 4.07Å; A578-F681 HydrophobicContact CB-CE1 3.69Å
579E88.8Confident84.3Confident72 Ų7235.3 Ų35.334%0.33619%0.19SC..Hα-helixtrans-64-44.1173-73.6175.6177.400111.7I575 L576 S582 S583I575-E579 HydrophobicContact CG2-CG 4.32Å; I575-E579 WeakPolarHBondContact O-CG 3.24Å; I575-E579 PolarHBondContact O-N 3.31Å; L576-E579 VanDerWaalsContact CD2-OE2 3.27Å; L576-E579 WeakPolarHBondContact CD2-OE2 3.35Å; L576-E579 PolarHBondContact O-N 3.35Å; E579-S582 PolarHBondContact O-N 3.1Å; E579-S583 WeakPolarHBondContact O-CB 3.37Å; E579-S583 PolarHBondContact O-N 3.16Å
580W90.3Very high83.6Confident31 Ų3135.8 Ų35.812%0.11720%0.196CC..Hα-helixtrans-60.3-48.1174.9-179.388.1000111.3I543 V547 D553 L560 L576 F577 S582 S583 Y584I543-W580 HydrophobicContact CG2-CH2 4.14Å; V547-W580 HydrophobicContact CG2-CH2 4.34Å; D553-W580 WeakPolarHBondContact O-CZ2 3.43Å; D553-W580 PolarHBondContact O-NE1 2.83Å; D553-W580 VanDerWaalsContact O-NE1 3.12Å; L560-W580 HydrophobicContact CD1-CB 3.96Å; L560-W580 HydrophobicContact CD1-CG 4.34Å; L576-W580 WeakPolarHBondContact O-CB 3.46Å; L576-W580 PolarHBondContact O-N 3.04Å; F577-W580 HydrophobicContact CD2-CE3 4.31Å; F577-W580 HydrophobicContact CE2-CE3 4.01Å; F577-W580 HydrophobicContact CE2-CZ3 4.27Å; F577-W580 PolarHBondContact O-N 2.87Å; W580-S582 VanDerWaalsContact C-N 3.29Å; W580-S582 PolarHBondContact O-N 3.49Å; W580-S583 PolarHBondContact O-N 3.24Å; W580-Y584 HydrophobicContact CZ2-CD2 4.25Å; W580-Y584 VanDerWaalsContact O-CB 3.29Å; W580-Y584 WeakPolarHBondContact O-CB 3.17Å; W580-Y584 PolarHBondContact O-N 3.18Å
581L89.1Confident82.7Confident0 Ų038.6 Ų38.60%021%0.212CC..Hα-helixtrans-58.7-41.4175.5-71.8170.3000111.7Y546 F577 A578 S585 L673 Q676 M677 V680Y546-L581 HydrophobicContact CE2-CD2 4.33Å; F577-L581 HydrophobicContact CD1-CD1 4.16Å; F577-L581 HydrophobicContact CE1-CD1 3.85Å; F577-L581 HydrophobicContact CE2-CD1 4.39Å; F577-L581 HydrophobicContact CE2-CD2 4.37Å; F577-L581 HydrophobicContact CE2-CG 4.19Å; F577-L581 HydrophobicContact CZ-CD1 3.96Å; F577-L581 HydrophobicContact CZ-CD2 4.26Å; F577-L581 HydrophobicContact CZ-CG 4.19Å; F577-L581 WeakPolarHBondContact O-CG 3.39Å; F577-L581 PolarHBondContact O-N 2.95Å; A578-L581 PolarHBondContact O-N 2.92Å; L581-S585 WeakPolarHBondContact O-CB 3.19Å; L581-S585 PolarHBondContact O-N 3.03Å; L581-S585 PolarHBondContact O-OG 2.98Å; L581-L673 HydrophobicContact CB-CD2 4.47Å; L581-L673 HydrophobicContact CD2-CD2 3.78Å; L581-Q676 HydrophobicContact CD1-CG 4.35Å; L581-M677 HydrophobicContact CB-CE 4.06Å; L581-M677 HydrophobicContact CB-CG 4.34Å; L581-M677 HydrophobicContact CD1-CB 4.42Å; L581-V680 HydrophobicContact CD1-CG2 4.11Å
582S85.5Confident81.6Confident24 Ų2439 Ų3917%0.16821%0.214CC..Hα-helixtrans-64.7-49.6179.1-580000110.9A578 E579 W580 S585 A586 R701A578-S582 WeakPolarHBondContact O-CB 3.49Å; A578-S582 PolarHBondContact O-N 3.45Å; A578-S582 PolarHBondContact O-OG 3.38Å; E579-S582 PolarHBondContact O-N 3.1Å; W580-S582 VanDerWaalsContact C-N 3.29Å; W580-S582 PolarHBondContact O-N 3.49Å; S582-S585 PolarHBondContact O-N 2.68Å; S582-S585 PolarHBondContact O-OG 3.16Å; S582-A586 WeakPolarHBondContact O-CB 3.17Å; S582-A586 PolarHBondContact O-N 3.42Å; S582-R701 PolarHBondContact OG-NH1 2.83Å; S582-R701 VanDerWaalsContact OG-NH1 3.15Å
583S84.7Confident80Confident64 Ų6439.3 Ų39.345%0.44822%0.222SC..Hα-helixtrans-61.1-45.8178.1-1750000111.6E579 W580 S585 A586 N587E579-S583 WeakPolarHBondContact O-CB 3.37Å; E579-S583 PolarHBondContact O-N 3.16Å; W580-S583 PolarHBondContact O-N 3.24Å; S583-S585 PolarHBondContact O-N 3.44Å; S583-A586 PolarHBondContact O-N 3.01Å; S583-N587 WeakPolarHBondContact O-CB 3.43Å; S583-N587 VanDerWaalsContact O-CG 3.29Å; S583-N587 PolarHBondContact O-N 3.48Å; S583-N587 PolarHBondContact O-ND2 2.99Å
584Y82.7Confident78.4Confident28 Ų2846.5 Ų46.511%0.1126%0.255CS..Hα-helixtrans-60.2-46.1176.4-172.8-89.3000111.3V547 W580 A586 N587 L588 L673V547-Y584 HydrophobicContact CB-CE1 4.29Å; V547-Y584 HydrophobicContact CG1-CE1 3.94Å; V547-Y584 HydrophobicContact CG1-CE2 3.89Å; V547-Y584 WeakPolarHBondContact CG1-OH 3.45Å; V547-Y584 HydrophobicContact CG2-CD1 4.19Å; V547-Y584 HydrophobicContact CG2-CE1 3.72Å; W580-Y584 HydrophobicContact CZ2-CD2 4.25Å; W580-Y584 VanDerWaalsContact O-CB 3.29Å; W580-Y584 WeakPolarHBondContact O-CB 3.17Å; W580-Y584 PolarHBondContact O-N 3.18Å; Y584-A586 VanDerWaalsContact C-N 3.34Å; Y584-A586 PolarHBondContact O-N 2.92Å; Y584-N587 PolarHBondContact O-N 3.43Å; Y584-L588 HydrophobicContact CE1-CD1 3.95Å; Y584-L588 WeakPolarHBondContact O-CB 3.28Å; Y584-L588 PolarHBondContact O-N 3.45Å; Y584-L673 HydrophobicContact CD1-CD1 3.72Å; Y584-L673 HydrophobicContact CD1-CD2 4.35Å; Y584-L673 HydrophobicContact CE1-CD1 3.8Å
585S79.4Confident76.8Confident12 Ų1246.6 Ų46.68%0.08426%0.257CS..Hα-helixtrans-62.8-39.9177.6770000112.4L581 S582 S583 L588 V589L581-S585 WeakPolarHBondContact O-CB 3.19Å; L581-S585 PolarHBondContact O-N 3.03Å; L581-S585 PolarHBondContact O-OG 2.98Å; S582-S585 PolarHBondContact O-N 2.68Å; S582-S585 PolarHBondContact O-OG 3.16Å; S583-S585 PolarHBondContact O-N 3.44Å; S585-L588 PolarHBondContact O-N 2.9Å; S585-V589 WeakPolarHBondContact O-CB 3.46Å; S585-V589 WeakPolarHBondContact O-CG2 3.28Å; S585-V589 PolarHBondContact O-N 3.35Å; S585-V589 VanDerWaalsContact O-N 3.08Å
586A79Confident75.4Confident44 Ų4452.9 Ų52.936%0.36429%0.286SS..Hα-helixtrans-66.3-43.7177.900000111.1S582 S583 Y584 V589 C590S582-A586 WeakPolarHBondContact O-CB 3.17Å; S582-A586 PolarHBondContact O-N 3.42Å; S583-A586 PolarHBondContact O-N 3.01Å; Y584-A586 VanDerWaalsContact C-N 3.34Å; Y584-A586 PolarHBondContact O-N 2.92Å; A586-V589 PolarHBondContact O-N 3.07Å; A586-C590 WeakPolarHBondContact O-CB 3.14Å; A586-C590 PolarHBondContact O-N 3.37Å; A586-C590 PolarHBondContact O-SG 3.12Å; A586-C590 VanDerWaalsContact O-SG 3.33Å
587N76.7Confident74Confident85 Ų8552.3 Ų52.346%0.45528%0.283SS..Hα-helixtrans-64.1-41.8177-70.4-20.3000111.8S583 Y584 V589 C590 N591S583-N587 WeakPolarHBondContact O-CB 3.43Å; S583-N587 VanDerWaalsContact O-CG 3.29Å; S583-N587 PolarHBondContact O-N 3.48Å; S583-N587 PolarHBondContact O-ND2 2.99Å; Y584-N587 PolarHBondContact O-N 3.43Å; N587-V589 VanDerWaalsContact C-N 3.25Å; N587-V589 PolarHBondContact O-N 2.73Å; N587-C590 PolarHBondContact O-N 2.88Å; N587-N591 WeakPolarHBondContact O-CB 3.48Å; N587-N591 PolarHBondContact O-N 3.24Å
588L73.4Confident72.7Confident10 Ų1052.9 Ų52.95%0.05229%0.286CS..Hα-helixtrans-61.5-35.4176.2-159.792.1000112Y584 S585 F598 L669 L670Y584-L588 HydrophobicContact CE1-CD1 3.95Å; Y584-L588 WeakPolarHBondContact O-CB 3.28Å; Y584-L588 PolarHBondContact O-N 3.45Å; S585-L588 PolarHBondContact O-N 2.9Å; L588-F598 HydrophobicContact CD2-CE2 3.67Å; L588-F598 HydrophobicContact CD2-CZ 4.16Å; L588-F598 HydrophobicContact CG-CE2 3.85Å; L588-L669 HydrophobicContact CD2-CD2 4.46Å; L588-L670 HydrophobicContact CD2-CD1 3.94Å
589V70.2Confident71.4Confident9 Ų960.4 Ų60.46%0.05531%0.313CS..Hα-helixtrans-80.8-35.1179.4168.50000112.6S585 A586 N587 K592 R632 S633 L670S585-V589 WeakPolarHBondContact O-CB 3.46Å; S585-V589 WeakPolarHBondContact O-CG2 3.28Å; S585-V589 PolarHBondContact O-N 3.35Å; S585-V589 VanDerWaalsContact O-N 3.08Å; A586-V589 PolarHBondContact O-N 3.07Å; N587-V589 VanDerWaalsContact C-N 3.25Å; N587-V589 PolarHBondContact O-N 2.73Å; V589-K592 WeakPolarHBondContact O-CE 3.48Å; V589-K592 WeakPolarHBondContact O-CG 3.45Å; V589-R632 WeakPolarHBondContact CG2-O 3.32Å; V589-S633 VanDerWaalsContact CG1-CA 3.47Å; V589-S633 VanDerWaalsContact CG1-CB 3.42Å; V589-L670 HydrophobicContact CG2-CD1 3.79Å
590C68.7Low70.2Confident97 Ų9758.8 Ų58.866%0.65531%0.307SS*.Hα-helixtrans-80.1-42.2-179.1-72.40000111.9A586 N587 K592A586-C590 WeakPolarHBondContact O-CB 3.14Å; A586-C590 PolarHBondContact O-N 3.37Å; A586-C590 PolarHBondContact O-SG 3.12Å; A586-C590 VanDerWaalsContact O-SG 3.33Å; N587-C590 PolarHBondContact O-N 2.88Å; C590-K592 VanDerWaalsContact C-N 3.29Å; C590-K592 PolarHBondContact O-N 3.32Å
591N66.4Low69.2Low83 Ų8359.9 Ų59.944%0.44432%0.319SS..  trans-93.851.1-177.4-65.8-0000111.7N587 D593 E594 S595N587-N591 WeakPolarHBondContact O-CB 3.48Å; N587-N591 PolarHBondContact O-N 3.24Å; N591-D593 PolarHBondContact O-N 3Å; N591-D593 VanDerWaalsContact O-N 3.15Å; N591-E594 HydrophobicContact CB-CB 4.49Å; N591-E594 PolarHBondContact O-N 2.63Å; N591-S595 PolarHBondContact O-N 3.47Å
592K60.1Low68.2Low55 Ų5564.4 Ų64.424%0.23935%0.351CS..THydrogen-bonded Turntrans-55.7-34.7-175-56.4179.6179.8-169.10113V589 C590 V631V589-K592 WeakPolarHBondContact O-CE 3.48Å; V589-K592 WeakPolarHBondContact O-CG 3.45Å; C590-K592 VanDerWaalsContact C-N 3.29Å; C590-K592 PolarHBondContact O-N 3.32Å; K592-V631 HydrophobicContact CB-CG2 4.32Å; K592-V631 HydrophobicContact CD-CB 3.66Å; K592-V631 HydrophobicContact CD-CG1 4.43Å; K592-V631 HydrophobicContact CD-CG2 3.82Å; K592-V631 HydrophobicContact CG-CB 4.16Å; K592-V631 HydrophobicContact CG-CG2 4.1Å; K592-V631 PolarHBondContact NZ-O 3.19Å
593D51.6Low67.7Low132 Ų13270.9 Ų70.971%0.70638%0.378SS*.THydrogen-bonded Turntrans-81.5-21.8-174-62.4-30.7000113.6N591 R599N591-D593 PolarHBondContact O-N 3Å; N591-D593 VanDerWaalsContact O-N 3.15Å; D593-R599 PolarHBondContact O-NE 2.94Å
594E52.7Low67.2Low150 Ų15069.6 Ų69.670%0.70137%0.366SS*.THydrogen-bonded Turntrans-92.4-27.2178.8-66.2-170.8159.200112.3N591 E596N591-E594 HydrophobicContact CB-CB 4.49Å; N591-E594 PolarHBondContact O-N 2.63Å; E594-E596 PolarHBondContact O-N 2.89Å
595S57Low66.9Low13 Ų1373.2 Ų73.29%0.09138%0.384CS..  trans-71.7114.9177.3179.40000110.9N591 L597 F598 R599N591-S595 PolarHBondContact O-N 3.47Å; S595-L597 PolarHBondContact O-N 3.31Å; S595-L597 WeakPolarHBondContact OG-CB 3.33Å; S595-L597 PolarHBondContact OG-N 3.06Å; S595-F598 PolarHBondContact O-N 2.99Å; S595-R599 PolarHBondContact O-N 3.49Å; S595-R599 VanDerWaalsContact O-N 3.11Å
596E58.4Low66.7Low149 Ų14978.6 Ų78.670%0.69641%0.411SS*.THydrogen-bonded Turntrans-51.3-28.7173.6-70.4-169.8155.400112.3T549 E594 F598T549-E596 HydrophobicContact CG2-CB 4.32Å; E594-E596 PolarHBondContact O-N 2.89Å; E596-F598 VanDerWaalsContact C-N 3.3Å; E596-F598 PolarHBondContact O-N 3.41Å
597L59.8Low66.9Low35 Ų3580.5 Ų80.518%0.18341%0.411CS..THydrogen-bonded Turntrans-69.1-23.5-179.2-131.2135.9000114S595 R666 L669S595-L597 PolarHBondContact O-N 3.31Å; S595-L597 WeakPolarHBondContact OG-CB 3.33Å; S595-L597 PolarHBondContact OG-N 3.06Å; L597-R666 VanDerWaalsContact O-CZ 3.23Å; L597-R666 PolarHBondContact O-NE 2.78Å; L597-R666 PolarHBondContact O-NH2 3.25Å; L597-L669 HydrophobicContact CD1-CD1 4.16Å; L597-L669 HydrophobicContact CD1-CD2 3.64Å; L597-L669 HydrophobicContact CD1-CG 4.44Å; L597-L669 HydrophobicContact CD2-CB 4.08Å; L597-L669 HydrophobicContact CD2-CD2 3.86Å; L597-L669 HydrophobicContact CD2-CG 4.4Å; L597-L669 HydrophobicContact CG-CD2 4.41Å
598F61.7Low67Low14 Ų1476.6 Ų76.66%0.06139%0.391CS..THydrogen-bonded Turntrans-112.6-9.8177.6-64.9-58.6000113.6L588 S595 E596 V631 R666L588-F598 HydrophobicContact CD2-CE2 3.67Å; L588-F598 HydrophobicContact CD2-CZ 4.16Å; L588-F598 HydrophobicContact CG-CE2 3.85Å; S595-F598 PolarHBondContact O-N 2.99Å; E596-F598 VanDerWaalsContact C-N 3.3Å; E596-F598 PolarHBondContact O-N 3.41Å; F598-V631 HydrophobicContact CB-CG2 3.87Å; F598-V631 HydrophobicContact CD1-CB 4.33Å; F598-V631 HydrophobicContact CD1-CG1 3.93Å; F598-V631 HydrophobicContact CD1-CG2 3.51Å; F598-V631 HydrophobicContact CD2-CG1 4.02Å; F598-V631 HydrophobicContact CD2-CG2 4.2Å; F598-V631 HydrophobicContact CE1-CB 4.44Å; F598-V631 HydrophobicContact CE1-CG1 3.64Å; F598-V631 HydrophobicContact CE1-CG2 4.08Å; F598-V631 HydrophobicContact CE2-CG1 3.71Å; F598-V631 HydrophobicContact CG-CG1 4.13Å; F598-V631 HydrophobicContact CG-CG2 3.59Å; F598-V631 HydrophobicContact CZ-CG1 3.53Å; F598-R666 PolarHBondContact O-NH2 2.95Å
599R63.4Low67.2Low162 Ų16279.3 Ų79.361%0.61141%0.406SS*.SBendtrans-69.5129.5165.7-111.3179.3177.41584.8111.8D593 S595 S601 R666D593-R599 PolarHBondContact O-NE 2.94Å; S595-R599 PolarHBondContact O-N 3.49Å; S595-R599 VanDerWaalsContact O-N 3.11Å; R599-S601 PolarHBondContact O-N 3.32Å; R599-R666 VanDerWaalsContact C-NH2 3.31Å; R599-R666 PolarHBondContact O-NH2 3.25Å
600L63Low67.7Low38 Ų3883.2 Ų83.220%0.19943%0.433CS..PPolyproline II helixtrans-69.9122.5169.9-74.7164.1000108.5D604 E605 V608 L629 F662L600-D604 HydrophobicContact CB-CB 4.2Å; L600-D604 HydrophobicContact CD2-CB 3.47Å; L600-D604 VanDerWaalsContact CD2-CB 3.47Å; L600-D604 HydrophobicContact CG-CB 4.46Å; L600-E605 HydrophobicContact CB-CG 3.78Å; L600-E605 HydrophobicContact CD1-CG 4.18Å; L600-V608 HydrophobicContact CD2-CG2 4.19Å; L600-L629 HydrophobicContact CD1-CD1 4.23Å; L600-L629 HydrophobicContact CD1-CD2 3.46Å; L600-L629 VanDerWaalsContact CD1-CD2 3.46Å; L600-L629 HydrophobicContact CD1-CG 4.05Å; L600-L629 HydrophobicContact CG-CD2 3.76Å; L600-F662 HydrophobicContact CD2-CE1 4.08Å; L600-F662 HydrophobicContact CD2-CZ 4Å
601S70.2Confident68.2Low53 Ų5379.4 Ų79.437%0.37141%0.407SS..PPolyproline II helixtrans-68.5164.8165.868.30000110.2R599 E603 D604 E605R599-S601 PolarHBondContact O-N 3.32Å; S601-E603 PolarHBondContact O-N 3.45Å; S601-D604 PolarHBondContact N-OD2 2.95Å; S601-D604 WeakPolarHBondContact O-CB 3.27Å; S601-D604 PolarHBondContact O-N 3.14Å; S601-D604 PolarHBondContact OG-N 3.34Å; S601-D604 VanDerWaalsContact OG-N 3.11Å; S601-D604 PolarHBondContact OG-OD2 3.19Å; S601-E605 PolarHBondContact O-N 3.09Å
602S68.8Low68.7Low96 Ų9675.8 Ų75.867%0.67139%0.388SS*.Hα-helixtrans-57.3-33.1175.4-37.10000112.2L606S602-L606 WeakPolarHBondContact O-CG 3.48Å; S602-L606 PolarHBondContact O-N 3.45Å
603E73.3Confident69.4Low160 Ų16075 Ų7575%0.74839%0.389SS*.Hα-helixtrans-72.7-40175.6-67.8-173.516400111.9S601 E605 L606 F607S601-E603 PolarHBondContact O-N 3.45Å; E603-E605 VanDerWaalsContact C-N 3.35Å; E603-E605 PolarHBondContact O-N 3.49Å; E603-L606 WeakPolarHBondContact O-CB 3.48Å; E603-L606 PolarHBondContact O-N 2.72Å; E603-F607 PolarHBondContact O-N 2.71Å
604D75Confident70.4Confident36 Ų3674.9 Ų74.919%0.19339%0.393CS..Hα-helixtrans-63.7-41.8176.3-64.1-36.3000111.4L600 S601 L606 F607 V608 F662 R666L600-D604 HydrophobicContact CB-CB 4.2Å; L600-D604 HydrophobicContact CD2-CB 3.47Å; L600-D604 VanDerWaalsContact CD2-CB 3.47Å; L600-D604 HydrophobicContact CG-CB 4.46Å; S601-D604 PolarHBondContact N-OD2 2.95Å; S601-D604 WeakPolarHBondContact O-CB 3.27Å; S601-D604 PolarHBondContact O-N 3.14Å; S601-D604 PolarHBondContact OG-N 3.34Å; S601-D604 VanDerWaalsContact OG-N 3.11Å; S601-D604 PolarHBondContact OG-OD2 3.19Å; D604-L606 VanDerWaalsContact C-N 3.3Å; D604-L606 PolarHBondContact O-N 2.74Å; D604-F607 PolarHBondContact O-N 2.85Å; D604-V608 WeakPolarHBondContact O-CG2 3.13Å; D604-V608 PolarHBondContact O-N 3.13Å; D604-F662 HydrophobicContact CB-CE2 4.25Å; D604-F662 HydrophobicContact CB-CZ 3.84Å; D604-F662 WeakPolarHBondContact OD1-CE2 3.22Å; D604-R666 IonicContact OD2-NH1 3.19Å; D604-R666 PolarHBondContact OD2-NH1 3.34Å
605E75.5Confident71.3Confident105 Ų10574.3 Ų74.349%0.49140%0.395SS..Hα-helixtrans-61.1-40.7175.3-74-167.2157.600111.4L600 S601 E603 N609L600-E605 HydrophobicContact CB-CG 3.78Å; L600-E605 HydrophobicContact CD1-CG 4.18Å; S601-E605 PolarHBondContact O-N 3.09Å; E603-E605 VanDerWaalsContact C-N 3.35Å; E603-E605 PolarHBondContact O-N 3.49Å; E605-N609 WeakPolarHBondContact O-CB 3.07Å; E605-N609 VanDerWaalsContact O-CG 3.27Å; E605-N609 PolarHBondContact O-N 3.32Å; E605-N609 PolarHBondContact O-ND2 3.39Å
606L77Confident72.1Confident125 Ų12574.5 Ų74.565%0.65439%0.394SS*.Hα-helixtrans-63.4-43.2174.5-80.1165.6000111.4S602 E603 D604 N609 S610S602-L606 WeakPolarHBondContact O-CG 3.48Å; S602-L606 PolarHBondContact O-N 3.45Å; E603-L606 WeakPolarHBondContact O-CB 3.48Å; E603-L606 PolarHBondContact O-N 2.72Å; D604-L606 VanDerWaalsContact C-N 3.3Å; D604-L606 PolarHBondContact O-N 2.74Å; L606-N609 PolarHBondContact O-N 2.82Å; L606-S610 WeakPolarHBondContact O-CB 3.33Å; L606-S610 PolarHBondContact O-N 2.79Å
607F82.5Confident73Confident83 Ų8372.3 Ų72.336%0.36439%0.387SS..Hα-helixtrans-63.1-50.4177.8179.5-97.3000111.9E603 D604 N609 S610 C611 A658 F662E603-F607 PolarHBondContact O-N 2.71Å; D604-F607 PolarHBondContact O-N 2.85Å; F607-N609 VanDerWaalsContact C-N 3.28Å; F607-N609 PolarHBondContact O-N 2.83Å; F607-S610 PolarHBondContact O-N 3.2Å; F607-S610 VanDerWaalsContact O-N 3.11Å; F607-S610 PolarHBondContact O-OG 2.66Å; F607-C611 PolarHBondContact O-N 2.92Å; F607-C611 VanDerWaalsContact O-N 3.15Å; F607-C611 PolarHBondContact O-SG 3.02Å; F607-C611 VanDerWaalsContact O-SG 3.32Å; F607-A658 HydrophobicContact CZ-CB 4.21Å; F607-F662 HydrophobicContact CD1-CB 4.48Å; F607-F662 AromaticContact CD1-CD2 3.9Å; F607-F662 HydrophobicContact CD1-CD2 3.9Å; F607-F662 HydrophobicContact CD1-CE2 4.41Å; F607-F662 HydrophobicContact CD1-CG 4.22Å; F607-F662 HydrophobicContact CE1-CB 3.88Å; F607-F662 HydrophobicContact CE1-CD2 4.03Å; F607-F662 HydrophobicContact CE1-CG 4.1Å
608V77.9Confident73.9Confident4 Ų476.5 Ų76.52%0.02441%0.409CS..Hα-helixtrans-58.8-43.8177.2172.70000110L600 D604 S610 C611 I612 I625 V628 L659 F662L600-V608 HydrophobicContact CD2-CG2 4.19Å; D604-V608 WeakPolarHBondContact O-CG2 3.13Å; D604-V608 PolarHBondContact O-N 3.13Å; V608-S610 VanDerWaalsContact C-N 3.32Å; V608-S610 PolarHBondContact O-N 3.09Å; V608-C611 PolarHBondContact O-N 3.38Å; V608-I612 HydrophobicContact CG1-CD1 4.04Å; V608-I612 WeakPolarHBondContact O-CG1 3.4Å; V608-I612 PolarHBondContact O-N 2.95Å; V608-I625 HydrophobicContact CG1-CG1 4.38Å; V608-V628 HydrophobicContact CG2-CG1 4.31Å; V608-L659 HydrophobicContact CB-CD2 4.32Å; V608-L659 HydrophobicContact CG1-CD2 4.08Å; V608-L659 HydrophobicContact CG2-CD2 4.13Å; V608-F662 HydrophobicContact CG2-CD1 4.36Å; V608-F662 HydrophobicContact CG2-CE1 4.05Å
609N77.9Confident74.7Confident67 Ų6779 Ų7936%0.35843%0.431SS..Hα-helixtrans-66.4-31.7177.8-80.7-51.1000113.6E605 L606 F607 C611 I612 R621E605-N609 WeakPolarHBondContact O-CB 3.07Å; E605-N609 VanDerWaalsContact O-CG 3.27Å; E605-N609 PolarHBondContact O-N 3.32Å; E605-N609 PolarHBondContact O-ND2 3.39Å; L606-N609 PolarHBondContact O-N 2.82Å; F607-N609 VanDerWaalsContact C-N 3.28Å; F607-N609 PolarHBondContact O-N 2.83Å; N609-C611 VanDerWaalsContact C-N 3.31Å; N609-I612 PolarHBondContact O-N 3.05Å; N609-R621 PolarHBondContact O-NH2 3.02Å; N609-R621 PolarHBondContact OD1-NH2 3.46Å
610S81.7Confident75.4Confident91 Ų9174 Ų7464%0.63642%0.415SS*.Hα-helixtrans-70.4-28.117677.50000112.9L606 F607 V608L606-S610 WeakPolarHBondContact O-CB 3.33Å; L606-S610 PolarHBondContact O-N 2.79Å; F607-S610 PolarHBondContact O-N 3.2Å; F607-S610 VanDerWaalsContact O-N 3.11Å; F607-S610 PolarHBondContact O-OG 2.66Å; V608-S610 VanDerWaalsContact C-N 3.32Å; V608-S610 PolarHBondContact O-N 3.09Å
611C79Confident76.1Confident17 Ų1774.8 Ų74.812%0.11542%0.416CS..Hα-helixtrans-79.1-20.4179.1-65.90000113F607 V608 N609 F653 L659F607-C611 PolarHBondContact O-N 2.92Å; F607-C611 VanDerWaalsContact O-N 3.15Å; F607-C611 PolarHBondContact O-SG 3.02Å; F607-C611 VanDerWaalsContact O-SG 3.32Å; V608-C611 PolarHBondContact O-N 3.38Å; N609-C611 VanDerWaalsContact C-N 3.31Å; C611-F653 VanDerWaalsContact O-CD2 3.28Å; C611-F653 WeakPolarHBondContact O-CD2 3.48Å; C611-L659 HydrophobicContact CB-CD1 4.24Å; C611-L659 HydrophobicContact CB-CD2 3.93Å; C611-L659 HydrophobicContact CB-CG 3.82Å
612I76.8Confident76.5Confident6 Ų677 Ų773%0.03142%0.423CS..SBendtrans-96.8117.9-177.2-58168.5000109.4V608 N609 I616 R621 V624 I625 L659V608-I612 HydrophobicContact CG1-CD1 4.04Å; V608-I612 WeakPolarHBondContact O-CG1 3.4Å; V608-I612 PolarHBondContact O-N 2.95Å; N609-I612 PolarHBondContact O-N 3.05Å; I612-I616 HydrophobicContact CG2-CD1 4.03Å; I612-R621 HydrophobicContact CD1-CG 4.4Å; I612-R621 HydrophobicContact CG2-CG 4.19Å; I612-V624 HydrophobicContact CD1-CB 4.45Å; I612-V624 HydrophobicContact CD1-CG1 3.79Å; I612-V624 HydrophobicContact CG1-CG1 4.03Å; I612-I625 HydrophobicContact CD1-CG1 3.97Å; I612-L659 HydrophobicContact CG1-CD1 4.42Å
613P73.6Confident77Confident40 Ų4077.4 Ų77.426%0.2642%0.415SS..  trans-54.3143.3176.8-2127.8000112.4D615 I616 F653P613-D615 PolarHBondContact O-N 3.13Å; P613-D615 VanDerWaalsContact O-N 3.13Å; P613-I616 HydrophobicContact CB-CD1 4.38Å; P613-I616 HydrophobicContact CB-CG1 4.23Å; P613-I616 HydrophobicContact CG-CD1 4.09Å; P613-I616 HydrophobicContact CG-CG1 4.44Å; P613-I616 PolarHBondContact O-N 3.01Å; P613-F653 HydrophobicContact CG-CB 3.59Å; P613-F653 HydrophobicContact CG-CG 4.28Å
614T73.1Confident77.2Confident128 Ų12869.8 Ų69.879%0.78538%0.379SS*.THydrogen-bonded Turntrans-62.8-18.4179.140.40000113.8I616T614-I616 VanDerWaalsContact C-N 3.32Å; T614-I616 PolarHBondContact O-N 2.9Å
615D71.2Confident77.3Confident139 Ų13970.1 Ų70.174%0.74338%0.38SS*.THydrogen-bonded Turntrans-88.6-4.9-167-18.2-28.6000111.9P613P613-D615 PolarHBondContact O-N 3.13Å; P613-D615 VanDerWaalsContact O-N 3.13Å
616I73.4Confident77.5Confident16 Ų1668.5 Ų68.58%0.08238%0.381CS..SBendtrans-80.3138.5-177.2-62.9-170.2000110.8I612 P613 T614 Q620 R621 F653I612-I616 HydrophobicContact CG2-CD1 4.03Å; P613-I616 HydrophobicContact CB-CD1 4.38Å; P613-I616 HydrophobicContact CB-CG1 4.23Å; P613-I616 HydrophobicContact CG-CD1 4.09Å; P613-I616 HydrophobicContact CG-CG1 4.44Å; P613-I616 PolarHBondContact O-N 3.01Å; T614-I616 VanDerWaalsContact C-N 3.32Å; T614-I616 PolarHBondContact O-N 2.9Å; I616-Q620 HydrophobicContact CG2-CB 3.52Å; I616-R621 HydrophobicContact CG2-CB 4.42Å; I616-F653 HydrophobicContact CD1-CD1 4.29Å
617N79.2Confident77.3Confident104 Ų10464.5 Ų64.556%0.55636%0.36SS*.  trans-62.9144.6177.1-168.9-1.1000111.3A619 Q620 R621N617-A619 PolarHBondContact O-N 2.94Å; N617-A619 VanDerWaalsContact O-N 3.13Å; N617-Q620 PolarHBondContact O-N 3.01Å; N617-R621 PolarHBondContact O-N 3.38Å
618I78.6Confident76.8Confident123 Ų12361 Ų6163%0.63135%0.345SS*.Hα-helixtrans-53.8-39.2-176.5-59.7165.9000111.6R621 N622I618-R621 PolarHBondContact O-N 3.27Å; I618-N622 WeakPolarHBondContact O-CB 3.4Å; I618-N622 VanDerWaalsContact O-CG 3.24Å; I618-N622 PolarHBondContact O-N 3.08Å
619A78.4Confident76.6Confident65 Ų6564.5 Ų64.554%0.53736%0.363SS..Hα-helixtrans-62-47.2177.500000112.5N617 N622 E623N617-A619 PolarHBondContact O-N 2.94Å; N617-A619 VanDerWaalsContact O-N 3.13Å; A619-N622 PolarHBondContact O-N 3.21Å; A619-E623 WeakPolarHBondContact O-CB 3.47Å; A619-E623 PolarHBondContact O-N 3.46Å
620Q78Confident76.3Confident59 Ų5962.6 Ų62.628%0.27635%0.354SS..Hα-helixtrans-67.2-38177.2-70.9177.9-44.300111.3I616 N617 N622 E623 V624 I650I616-Q620 HydrophobicContact CG2-CB 3.52Å; N617-Q620 PolarHBondContact O-N 3.01Å; Q620-N622 PolarHBondContact O-N 3.37Å; Q620-E623 WeakPolarHBondContact O-CB 3.36Å; Q620-E623 PolarHBondContact O-N 3.06Å; Q620-V624 WeakPolarHBondContact O-CG2 3.34Å; Q620-V624 PolarHBondContact O-N 3.41Å; Q620-I650 HydrophobicContact CB-CG2 3.73Å; Q620-I650 HydrophobicContact CG-CG2 3.77Å
621R77.8Confident75.5Confident54 Ų5458.6 Ų58.620%0.20433%0.326CS..Hα-helixtrans-60.6-45.4175.6-172172.1-165.2115.14.8111.2N609 I612 I616 N617 I618 E623 V624 I625N609-R621 PolarHBondContact O-NH2 3.02Å; N609-R621 PolarHBondContact OD1-NH2 3.46Å; I612-R621 HydrophobicContact CD1-CG 4.4Å; I612-R621 HydrophobicContact CG2-CG 4.19Å; I616-R621 HydrophobicContact CG2-CB 4.42Å; N617-R621 PolarHBondContact O-N 3.38Å; I618-R621 PolarHBondContact O-N 3.27Å; R621-E623 VanDerWaalsContact C-N 3.29Å; R621-E623 PolarHBondContact O-N 3.24Å; R621-V624 PolarHBondContact O-N 3.3Å; R621-I625 HydrophobicContact CG-CD1 4.12Å; R621-I625 WeakPolarHBondContact O-CG1 3.43Å; R621-I625 PolarHBondContact O-N 3.3Å
622N78.7Confident74.7Confident98 Ų9857.9 Ų57.952%0.52432%0.321SS..Hα-helixtrans-64.6-35.5175.6-70-11.9000111.9I618 A619 Q620 S626I618-N622 WeakPolarHBondContact O-CB 3.4Å; I618-N622 VanDerWaalsContact O-CG 3.24Å; I618-N622 PolarHBondContact O-N 3.08Å; A619-N622 PolarHBondContact O-N 3.21Å; Q620-N622 PolarHBondContact O-N 3.37Å; N622-S626 WeakPolarHBondContact O-CB 3.48Å; N622-S626 PolarHBondContact O-N 3.42Å
623E78.3Confident73.9Confident106 Ų10658.6 Ų58.650%0.49533%0.326SS..Hα-helixtrans-68.7-39.8176.5-157.8174.8-16000112.1A619 Q620 R621 S626 L627 I650A619-E623 WeakPolarHBondContact O-CB 3.47Å; A619-E623 PolarHBondContact O-N 3.46Å; Q620-E623 WeakPolarHBondContact O-CB 3.36Å; Q620-E623 PolarHBondContact O-N 3.06Å; R621-E623 VanDerWaalsContact C-N 3.29Å; R621-E623 PolarHBondContact O-N 3.24Å; E623-S626 WeakPolarHBondContact O-CB 3.38Å; E623-S626 PolarHBondContact O-N 2.92Å; E623-L627 WeakPolarHBondContact O-CG 3.48Å; E623-L627 PolarHBondContact O-N 3.35Å; E623-I650 HydrophobicContact CB-CD1 4.02Å; E623-I650 HydrophobicContact CG-CD1 3.84Å
624V78.2Confident72.6Confident0 Ų060.7 Ų60.70%033%0.332CS..Hα-helixtrans-63.1-48.5172.1170.50000110.8I612 Q620 R621 S626 L627 V628 L647 I650 F653 L659I612-V624 HydrophobicContact CD1-CB 4.45Å; I612-V624 HydrophobicContact CD1-CG1 3.79Å; I612-V624 HydrophobicContact CG1-CG1 4.03Å; Q620-V624 WeakPolarHBondContact O-CG2 3.34Å; Q620-V624 PolarHBondContact O-N 3.41Å; R621-V624 PolarHBondContact O-N 3.3Å; V624-S626 VanDerWaalsContact C-N 3.32Å; V624-S626 PolarHBondContact O-N 2.91Å; V624-L627 PolarHBondContact O-N 2.9Å; V624-V628 HydrophobicContact CG1-CG2 4.44Å; V624-V628 WeakPolarHBondContact O-CG2 3.27Å; V624-V628 PolarHBondContact O-N 3.48Å; V624-L647 HydrophobicContact CB-CD2 4.27Å; V624-L647 HydrophobicContact CG1-CD2 3.8Å; V624-L647 HydrophobicContact CG2-CD2 4.04Å; V624-I650 HydrophobicContact CG2-CD1 3.92Å; V624-I650 HydrophobicContact CG2-CG2 4.38Å; V624-F653 HydrophobicContact CG1-CZ 4.11Å; V624-F653 HydrophobicContact CG2-CE1 4.26Å; V624-L659 HydrophobicContact CG1-CD1 4.05Å
625I76.5Confident71.1Confident42 Ų4264 Ų6422%0.21533%0.332CS..Hα-helixtrans-61.9-43178.5-69168.9000110.4V608 I612 R621 L627 V628 L629V608-I625 HydrophobicContact CG1-CG1 4.38Å; I612-I625 HydrophobicContact CD1-CG1 3.97Å; R621-I625 HydrophobicContact CG-CD1 4.12Å; R621-I625 WeakPolarHBondContact O-CG1 3.43Å; R621-I625 PolarHBondContact O-N 3.3Å; I625-L627 PolarHBondContact O-N 3.44Å; I625-V628 PolarHBondContact O-N 3.3Å; I625-L629 HydrophobicContact CG2-CD1 3.69Å; I625-L629 HydrophobicContact CG2-CG 4.3Å; I625-L629 VanDerWaalsContact O-CB 3.3Å; I625-L629 WeakPolarHBondContact O-CB 3.44Å; I625-L629 WeakPolarHBondContact O-CG 3.47Å; I625-L629 PolarHBondContact O-N 3.3Å
626S78.9Confident70Confident72 Ų7261.2 Ų61.250%0.50332%0.317SS..Hα-helixtrans-55.5-48.2173.5163.40000112N622 E623 V624 L629 T630N622-S626 WeakPolarHBondContact O-CB 3.48Å; N622-S626 PolarHBondContact O-N 3.42Å; E623-S626 WeakPolarHBondContact O-CB 3.38Å; E623-S626 PolarHBondContact O-N 2.92Å; V624-S626 VanDerWaalsContact C-N 3.32Å; V624-S626 PolarHBondContact O-N 2.91Å; S626-L629 PolarHBondContact O-N 3.47Å; S626-T630 PolarHBondContact O-N 2.95Å; S626-T630 PolarHBondContact O-OG1 3.42Å
627L73.5Confident69.2Low40 Ų4065.7 Ų65.721%0.20934%0.341CS..Hα-helixtrans-61.7-46.6176.7-79168.3000111.8E623 V624 I625 L629 T630 L643 L647 I650E623-L627 WeakPolarHBondContact O-CG 3.48Å; E623-L627 PolarHBondContact O-N 3.35Å; V624-L627 PolarHBondContact O-N 2.9Å; I625-L627 PolarHBondContact O-N 3.44Å; L627-L629 VanDerWaalsContact C-N 3.29Å; L627-L629 PolarHBondContact O-N 3.48Å; L627-T630 VanDerWaalsContact CA-OG1 3.25Å; L627-T630 WeakPolarHBondContact CA-OG1 3.35Å; L627-T630 WeakPolarHBondContact O-CB 3.31Å; L627-T630 PolarHBondContact O-N 3.35Å; L627-T630 VanDerWaalsContact O-N 3.08Å; L627-T630 PolarHBondContact O-OG1 2.74Å; L627-L643 WeakPolarHBondContact O-CD1 3.26Å; L627-L647 HydrophobicContact CD1-CD2 4.33Å; L627-I650 HydrophobicContact CD1-CD1 3.59Å
628V72.8Confident68.3Low10 Ų1061.9 Ų61.96%0.06132%0.322CS..Hα-helixtrans-66.3-31.7179175.90000112V608 V624 I625 T630 L659 F662 W663V608-V628 HydrophobicContact CG2-CG1 4.31Å; V624-V628 HydrophobicContact CG1-CG2 4.44Å; V624-V628 WeakPolarHBondContact O-CG2 3.27Å; V624-V628 PolarHBondContact O-N 3.48Å; I625-V628 PolarHBondContact O-N 3.3Å; V628-T630 VanDerWaalsContact C-N 3.28Å; V628-L659 HydrophobicContact CG1-CD2 4.42Å; V628-L659 HydrophobicContact CG2-CB 4.2Å; V628-L659 HydrophobicContact CG2-CD1 4.11Å; V628-L659 HydrophobicContact CG2-CD2 4.11Å; V628-L659 HydrophobicContact CG2-CG 4.38Å; V628-F662 HydrophobicContact CG1-CD1 4.21Å; V628-F662 HydrophobicContact CG1-CE1 4.41Å; V628-W663 VanDerWaalsContact O-CD1 3.26Å
629L72.4Confident67.6Low77 Ų7756.8 Ų56.840%0.40330%0.297SS..THydrogen-bonded Turntrans-80.5-6.7174.5-77.7174.4000113.4L600 I625 S626 L627 V631L600-L629 HydrophobicContact CD1-CD1 4.23Å; L600-L629 HydrophobicContact CD1-CD2 3.46Å; L600-L629 VanDerWaalsContact CD1-CD2 3.46Å; L600-L629 HydrophobicContact CD1-CG 4.05Å; L600-L629 HydrophobicContact CG-CD2 3.76Å; I625-L629 HydrophobicContact CG2-CD1 3.69Å; I625-L629 HydrophobicContact CG2-CG 4.3Å; I625-L629 VanDerWaalsContact O-CB 3.3Å; I625-L629 WeakPolarHBondContact O-CB 3.44Å; I625-L629 WeakPolarHBondContact O-CG 3.47Å; I625-L629 PolarHBondContact O-N 3.3Å; S626-L629 PolarHBondContact O-N 3.47Å; L627-L629 VanDerWaalsContact C-N 3.29Å; L627-L629 PolarHBondContact O-N 3.48Å; L629-V631 PolarHBondContact O-N 3.47Å
630T72Confident67.1Low27 Ų2754.9 Ų54.917%0.16628%0.281CS..  trans-69.3102.2-176.7-36.70000109.2S626 L627 V628 V638 W663S626-T630 PolarHBondContact O-N 2.95Å; S626-T630 PolarHBondContact O-OG1 3.42Å; L627-T630 VanDerWaalsContact CA-OG1 3.25Å; L627-T630 WeakPolarHBondContact CA-OG1 3.35Å; L627-T630 WeakPolarHBondContact O-CB 3.31Å; L627-T630 PolarHBondContact O-N 3.35Å; L627-T630 VanDerWaalsContact O-N 3.08Å; L627-T630 PolarHBondContact O-OG1 2.74Å; V628-T630 VanDerWaalsContact C-N 3.28Å; T630-V638 HydrophobicContact CG2-CG2 4.45Å; T630-W663 PolarHBondContact O-NE1 2.99Å
631V64.1Low66.6Low7 Ų756.8 Ų56.84%0.04229%0.293CS..  trans-74.2131.8172.2-177.30000108.6K592 F598 L629 S633 H667K592-V631 HydrophobicContact CB-CG2 4.32Å; K592-V631 HydrophobicContact CD-CB 3.66Å; K592-V631 HydrophobicContact CD-CG1 4.43Å; K592-V631 HydrophobicContact CD-CG2 3.82Å; K592-V631 HydrophobicContact CG-CB 4.16Å; K592-V631 HydrophobicContact CG-CG2 4.1Å; K592-V631 PolarHBondContact NZ-O 3.19Å; F598-V631 HydrophobicContact CB-CG2 3.87Å; F598-V631 HydrophobicContact CD1-CB 4.33Å; F598-V631 HydrophobicContact CD1-CG1 3.93Å; F598-V631 HydrophobicContact CD1-CG2 3.51Å; F598-V631 HydrophobicContact CD2-CG1 4.02Å; F598-V631 HydrophobicContact CD2-CG2 4.2Å; F598-V631 HydrophobicContact CE1-CB 4.44Å; F598-V631 HydrophobicContact CE1-CG1 3.64Å; F598-V631 HydrophobicContact CE1-CG2 4.08Å; F598-V631 HydrophobicContact CE2-CG1 3.71Å; F598-V631 HydrophobicContact CG-CG1 4.13Å; F598-V631 HydrophobicContact CG-CG2 3.59Å; F598-V631 HydrophobicContact CZ-CG1 3.53Å; L629-V631 PolarHBondContact O-N 3.47Å; V631-S633 PolarHBondContact O-N 3.45Å; V631-S633 VanDerWaalsContact O-N 3.11Å; V631-H667 WeakPolarHBondContact CA-NE2 3.2Å
632R63.8Low66.4Low3 Ų355.7 Ų55.71%0.01129%0.294CS..  trans-47.6119.8170.8-91.3-176.5163.7151.2-1.8109.8V589 V638 W663 H667 L670 D712V589-R632 WeakPolarHBondContact CG2-O 3.32Å; R632-V638 PolarHBondContact NE-O 2.79Å; R632-V638 PolarHBondContact NH2-O 3.39Å; R632-W663 HydrophobicContact CG-CH2 4.11Å; R632-W663 HydrophobicContact CG-CZ2 4.11Å; R632-H667 PolarHBondContact N-NE2 3.14Å; R632-L670 HydrophobicContact CB-CD2 3.77Å; R632-D712 IonicContact CZ-OD2 2.84Å; R632-D712 IonicContact NH1-OD2 3.85Å; R632-D712 PolarHBondContact NH1-OD2 3.39Å; R632-D712 IonicContact NH2-OD1 3.3Å; R632-D712 IonicContact NH2-OD2 3.92Å; R632-D712 PolarHBondContact NH2-OD2 3.34Å
633S58.4Low66.1Low20 Ų2051.1 Ų51.114%0.1427%0.269CS..  trans-125.9163171.368.40000110.2V589 V631 Y635 N636V589-S633 VanDerWaalsContact CG1-CA 3.47Å; V589-S633 VanDerWaalsContact CG1-CB 3.42Å; V631-S633 PolarHBondContact O-N 3.45Å; V631-S633 VanDerWaalsContact O-N 3.11Å; S633-Y635 PolarHBondContact O-N 3.38Å; S633-N636 PolarHBondContact O-N 3.19Å
634E46.3Very low66Low85 Ų8548.9 Ų48.940%0.39726%0.259SS..THydrogen-bonded Turntrans-48.7133.2154.7-49.3-156.5131.700107.2K708E634-K708 IonicContact OE1-NZ 3.6Å; E634-K708 PolarHBondContact OE1-NZ 2.94Å; E634-K708 IonicContact OE2-NZ 3.78Å
635Y42.5Very low65.9Low196 Ų19657 Ų5777%0.76929%0.289SS*.THydrogen-bonded Turntrans84.5-6.4179.6-42.6-72.4000118.6S633S633-Y635 PolarHBondContact O-N 3.38Å
636N48.8Very low65.8Low82 Ų8256.2 Ų56.244%0.43929%0.291SS..  trans-120100173.4-90.8-17.7000111.2S633 V638S633-N636 PolarHBondContact O-N 3.19Å; N636-V638 HydrophobicContact CB-CG2 4.24Å; N636-V638 PolarHBondContact O-N 2.96Å
637N56.2Low65.7Low110 Ų11052.8 Ų52.859%0.58827%0.267SS*.  trans-66.550.9178.5-71.2-21.3000112.8S639 S642N637-S639 PolarHBondContact O-N 3.3Å; N637-S642 PolarHBondContact O-OG 3.34Å
638V60Low65.9Low24 Ų2454.4 Ų54.415%0.14528%0.276CS..  trans-90.2101.9-179.9-171.80000108.7T630 R632 N636 S642 L643 W663T630-V638 HydrophobicContact CG2-CG2 4.45Å; R632-V638 PolarHBondContact NE-O 2.79Å; R632-V638 PolarHBondContact NH2-O 3.39Å; N636-V638 HydrophobicContact CB-CG2 4.24Å; N636-V638 PolarHBondContact O-N 2.96Å; V638-S642 WeakPolarHBondContact CA-OG 3.25Å; V638-L643 HydrophobicContact CG1-CB 4.26Å; V638-L643 HydrophobicContact CG1-CD1 3.53Å; V638-W663 HydrophobicContact CG1-CH2 4.4Å; V638-W663 HydrophobicContact CG1-CZ2 3.98Å
639S64.9Low66Low15 Ų1557.1 Ų57.111%0.10531%0.306CS..  trans-93161.5160.2690000110.6N637 D641 S642 L643N637-S639 PolarHBondContact O-N 3.3Å; S639-D641 PolarHBondContact O-N 2.96Å; S639-D641 VanDerWaalsContact O-N 3.16Å; S639-D641 PolarHBondContact OG-N 3.27Å; S639-S642 PolarHBondContact N-OG 3.39Å; S639-S642 PolarHBondContact O-N 2.92Å; S639-S642 PolarHBondContact O-OG 3.07Å; S639-S642 PolarHBondContact OG-N 3Å; S639-S642 VanDerWaalsContact OG-N 3.13Å; S639-L643 PolarHBondContact O-N 3.29Å
640A66.3Low66.2Low25 Ų2554.8 Ų54.821%0.20729%0.294CS..Hα-helixtrans-50.8-38.9171.700000111.5L643 H644 I660A640-L643 WeakPolarHBondContact O-CB 3.44Å; A640-L643 PolarHBondContact O-N 3.31Å; A640-H644 WeakPolarHBondContact O-CB 3.39Å; A640-H644 PolarHBondContact O-N 3.31Å; A640-I660 HydrophobicContact CB-CG2 4.02Å
641D68.3Low66.1Low99 Ų9957.6 Ų57.653%0.52931%0.305SS..Hα-helixtrans-67.1-37.5175.8-64.3-29.5000113.8S639 L643 R645S639-D641 PolarHBondContact O-N 2.96Å; S639-D641 VanDerWaalsContact O-N 3.16Å; S639-D641 PolarHBondContact OG-N 3.27Å; D641-L643 VanDerWaalsContact C-N 3.35Å; D641-R645 WeakPolarHBondContact O-CB 3.45Å; D641-R645 WeakPolarHBondContact O-CG 3.45Å; D641-R645 PolarHBondContact O-N 2.91Å; D641-R645 PolarHBondContact O-NE 2.99Å
642S72.8Confident66.6Low32 Ų3266 Ų6622%0.22434%0.337CS..Hα-helixtrans-70.5-35.7175.671.30000111.4N637 V638 S639 R645 G646N637-S642 PolarHBondContact O-OG 3.34Å; V638-S642 WeakPolarHBondContact CA-OG 3.25Å; S639-S642 PolarHBondContact N-OG 3.39Å; S639-S642 PolarHBondContact O-N 2.92Å; S639-S642 PolarHBondContact O-OG 3.07Å; S639-S642 PolarHBondContact OG-N 3Å; S639-S642 VanDerWaalsContact OG-N 3.13Å; S642-R645 PolarHBondContact O-N 3.46Å; S642-G646 PolarHBondContact O-N 3.13Å
643L73.3Confident67.3Low1 Ų166.3 Ų66.31%0.00534%0.339CS..Hα-helixtrans-66.3-45174-154.299.8000109.8L627 V638 S639 A640 D641 R645 G646 L647 I660 W663L627-L643 WeakPolarHBondContact O-CD1 3.26Å; V638-L643 HydrophobicContact CG1-CB 4.26Å; V638-L643 HydrophobicContact CG1-CD1 3.53Å; S639-L643 PolarHBondContact O-N 3.29Å; A640-L643 WeakPolarHBondContact O-CB 3.44Å; A640-L643 PolarHBondContact O-N 3.31Å; D641-L643 VanDerWaalsContact C-N 3.35Å; L643-R645 VanDerWaalsContact C-N 3.32Å; L643-R645 PolarHBondContact O-N 2.98Å; L643-G646 PolarHBondContact O-N 2.85Å; L643-G646 VanDerWaalsContact O-N 3.16Å; L643-L647 HydrophobicContact CD2-CD1 4Å; L643-L647 HydrophobicContact CG-CD1 4.34Å; L643-L647 WeakPolarHBondContact O-CB 3.28Å; L643-L647 VanDerWaalsContact O-CG 3.3Å; L643-L647 WeakPolarHBondContact O-CG 3.37Å; L643-L647 PolarHBondContact O-N 3.48Å; L643-I660 HydrophobicContact CD2-CG1 4.15Å; L643-W663 HydrophobicContact CD1-CD2 4.5Å; L643-W663 HydrophobicContact CD2-CB 4.13Å; L643-W663 HydrophobicContact CD2-CD2 4.34Å; L643-W663 HydrophobicContact CD2-CG 4Å
644H76.2Confident68.2Low59 Ų5971 Ų7127%0.27337%0.372SS..Hα-helixtrans-58.4-44.3175-165.5-46.3000111.3A640 L648 D657 I660A640-H644 WeakPolarHBondContact O-CB 3.39Å; A640-H644 PolarHBondContact O-N 3.31Å; H644-L648 WeakPolarHBondContact CE1-CD1 3.41Å; H644-L648 WeakPolarHBondContact ND1-CD1 3.2Å; H644-L648 WeakPolarHBondContact ND1-CG 3.37Å; H644-L648 VanDerWaalsContact O-CB 3.28Å; H644-L648 WeakPolarHBondContact O-CB 3.26Å; H644-L648 VanDerWaalsContact O-CG 3.22Å; H644-L648 WeakPolarHBondContact O-CG 3.21Å; H644-L648 PolarHBondContact O-N 3.47Å; H644-D657 IonicContact NE2-OD1 2.87Å; H644-I660 HydrophobicContact CB-CD1 3.51Å; H644-I660 WeakPolarHBondContact CD2-CD1 3.43Å; H644-I660 VanDerWaalsContact CG-CD1 3.49Å
645R75.6Confident69.7Low171 Ų17167.3 Ų67.365%0.64536%0.357SS*.Hα-helixtrans-67.3-38.6175.2-80.9-175.5-69.7-140.1-3.7112.9D641 S642 L643 G649D641-R645 WeakPolarHBondContact O-CB 3.45Å; D641-R645 WeakPolarHBondContact O-CG 3.45Å; D641-R645 PolarHBondContact O-N 2.91Å; D641-R645 PolarHBondContact O-NE 2.99Å; S642-R645 PolarHBondContact O-N 3.46Å; L643-R645 VanDerWaalsContact C-N 3.32Å; L643-R645 PolarHBondContact O-N 2.98Å; R645-G649 PolarHBondContact O-N 3.43Å
646G75.2Confident71.5Confident25 Ų2558.2 Ų58.226%0.25832%0.321SS..Hα-helixtrans-62.1-48.7175.800000111.5S642 L643 G649 I650S642-G646 PolarHBondContact O-N 3.13Å; L643-G646 PolarHBondContact O-N 2.85Å; L643-G646 VanDerWaalsContact O-N 3.16Å; G646-G649 PolarHBondContact O-N 2.9Å; G646-G649 VanDerWaalsContact O-N 3.12Å; G646-I650 WeakPolarHBondContact O-CG1 3.49Å; G646-I650 PolarHBondContact O-N 2.97Å
647L76.5Confident73.1Confident0 Ų058.9 Ų58.90%033%0.325CS..Hα-helixtrans-63-44.8177.3-68.9170000111.7V624 L627 L643 G649 I650 Q651 F653 I656 I660V624-L647 HydrophobicContact CB-CD2 4.27Å; V624-L647 HydrophobicContact CG1-CD2 3.8Å; V624-L647 HydrophobicContact CG2-CD2 4.04Å; L627-L647 HydrophobicContact CD1-CD2 4.33Å; L643-L647 HydrophobicContact CD2-CD1 4Å; L643-L647 HydrophobicContact CG-CD1 4.34Å; L643-L647 WeakPolarHBondContact O-CB 3.28Å; L643-L647 VanDerWaalsContact O-CG 3.3Å; L643-L647 WeakPolarHBondContact O-CG 3.37Å; L643-L647 PolarHBondContact O-N 3.48Å; L647-G649 VanDerWaalsContact C-N 3.25Å; L647-G649 PolarHBondContact O-N 3.27Å; L647-I650 PolarHBondContact O-N 2.95Å; L647-Q651 PolarHBondContact O-N 3.35Å; L647-Q651 VanDerWaalsContact O-N 3.16Å; L647-Q651 VanDerWaalsContact O-O 3.11Å; L647-F653 HydrophobicContact CD2-CZ 4.37Å; L647-I656 HydrophobicContact CB-CD1 4.34Å; L647-I656 HydrophobicContact CB-CG1 4.25Å; L647-I656 HydrophobicContact CB-CG2 4.1Å; L647-I656 HydrophobicContact CD1-CG2 4.09Å; L647-I660 HydrophobicContact CD1-CG1 4.11Å
648L77.7Confident74.4Confident74 Ų7455.4 Ų55.439%0.38731%0.311SS..Hα-helixtrans-60.6-34172.9-79.2174.6000113H644 I650 Y652 I656H644-L648 WeakPolarHBondContact CE1-CD1 3.41Å; H644-L648 WeakPolarHBondContact ND1-CD1 3.2Å; H644-L648 WeakPolarHBondContact ND1-CG 3.37Å; H644-L648 VanDerWaalsContact O-CB 3.28Å; H644-L648 WeakPolarHBondContact O-CB 3.26Å; H644-L648 VanDerWaalsContact O-CG 3.22Å; H644-L648 WeakPolarHBondContact O-CG 3.21Å; H644-L648 PolarHBondContact O-N 3.47Å; L648-I650 VanDerWaalsContact C-N 3.29Å; L648-Y652 HydrophobicContact CD2-CD2 3.48Å; L648-Y652 VanDerWaalsContact CD2-CD2 3.48Å; L648-Y652 HydrophobicContact CD2-CE2 4.04Å; L648-I656 HydrophobicContact CD2-CD1 4.31Å
649G75.4Confident75.4Confident68 Ų6854.2 Ų54.270%0.70130%0.304SS*.Hα-helixtrans-69.2-26.1178.800000113.4R645 G646 L647R645-G649 PolarHBondContact O-N 3.43Å; G646-G649 PolarHBondContact O-N 2.9Å; G646-G649 VanDerWaalsContact O-N 3.12Å; L647-G649 VanDerWaalsContact C-N 3.25Å; L647-G649 PolarHBondContact O-N 3.27Å
650I75.7Confident76.1Confident28 Ų2854.5 Ų54.514%0.14430%0.304CS..Hα-helixtrans-81.1-61175.3-60.3167.4000109.6Q620 E623 V624 L627 G646 L647 L648Q620-I650 HydrophobicContact CB-CG2 3.73Å; Q620-I650 HydrophobicContact CG-CG2 3.77Å; E623-I650 HydrophobicContact CB-CD1 4.02Å; E623-I650 HydrophobicContact CG-CD1 3.84Å; V624-I650 HydrophobicContact CG2-CD1 3.92Å; V624-I650 HydrophobicContact CG2-CG2 4.38Å; L627-I650 HydrophobicContact CD1-CD1 3.59Å; G646-I650 WeakPolarHBondContact O-CG1 3.49Å; G646-I650 PolarHBondContact O-N 2.97Å; L647-I650 PolarHBondContact O-N 2.95Å; L648-I650 VanDerWaalsContact C-N 3.29Å
651Q70.8Confident76.9Confident86 Ų8659.9 Ų59.940%0.40233%0.325SS..  trans-168.6144.4179.3-148.6171.34.100111L647 F653L647-Q651 PolarHBondContact O-N 3.35Å; L647-Q651 VanDerWaalsContact O-N 3.16Å; L647-Q651 VanDerWaalsContact O-O 3.11Å; Q651-F653 VanDerWaalsContact O-CD1 3.3Å; Q651-F653 WeakPolarHBondContact O-CD1 3.49Å; Q651-F653 PolarHBondContact O-N 3.47Å
652Y73.6Confident77.5Confident183 Ų18356.7 Ų56.772%0.71831%0.307SS*.  trans-76.9123.2172-170.4-92.4000110.6L648L648-Y652 HydrophobicContact CD2-CD2 3.48Å; L648-Y652 VanDerWaalsContact CD2-CD2 3.48Å; L648-Y652 HydrophobicContact CD2-CE2 4.04Å
653F79.2Confident77.9Confident10 Ų1055.4 Ų55.44%0.04430%0.297CS..  trans-141.1151.9171.959-87.3000110.9C611 P613 I616 V624 L647 Q651 G655 I656 L659C611-F653 VanDerWaalsContact O-CD2 3.28Å; C611-F653 WeakPolarHBondContact O-CD2 3.48Å; P613-F653 HydrophobicContact CG-CB 3.59Å; P613-F653 HydrophobicContact CG-CG 4.28Å; I616-F653 HydrophobicContact CD1-CD1 4.29Å; V624-F653 HydrophobicContact CG1-CZ 4.11Å; V624-F653 HydrophobicContact CG2-CE1 4.26Å; L647-F653 HydrophobicContact CD2-CZ 4.37Å; Q651-F653 VanDerWaalsContact O-CD1 3.3Å; Q651-F653 WeakPolarHBondContact O-CD1 3.49Å; Q651-F653 PolarHBondContact O-N 3.47Å; F653-G655 PolarHBondContact O-N 3.49Å; F653-G655 VanDerWaalsContact O-N 3.14Å; F653-I656 HydrophobicContact CD1-CD1 3.91Å; F653-I656 HydrophobicContact CD1-CG1 3.7Å; F653-I656 HydrophobicContact CD2-CG1 3.83Å; F653-I656 HydrophobicContact CE1-CD1 3.97Å; F653-I656 HydrophobicContact CE1-CG1 3.5Å; F653-I656 HydrophobicContact CE2-CB 4.46Å; F653-I656 HydrophobicContact CE2-CG1 3.65Å; F653-I656 HydrophobicContact CG-CD1 4.3Å; F653-I656 HydrophobicContact CG-CG1 3.85Å; F653-I656 HydrophobicContact CZ-CD1 4.43Å; F653-I656 HydrophobicContact CZ-CG1 3.47Å; F653-I656 VanDerWaalsContact CZ-CG1 3.47Å; F653-I656 VanDerWaalsContact O-CG1 3.3Å; F653-I656 WeakPolarHBondContact O-CG1 3.13Å; F653-I656 PolarHBondContact O-N 3.01Å; F653-L659 HydrophobicContact CE2-CD1 3.61Å; F653-L659 HydrophobicContact CZ-CD1 3.7Å
654S76.2Confident78.1Confident118 Ų11857.8 Ų57.883%0.82531%0.314SS*.THydrogen-bonded Turntrans-64.3-20.4-173.356.30000114.1
655G79.5Confident78.2Confident8 Ų861.6 Ų61.68%0.08233%0.331CS..THydrogen-bonded Turntrans-81.9-3.7179.600000115.5F653 D657 A658 L659F653-G655 PolarHBondContact O-N 3.49Å; F653-G655 VanDerWaalsContact O-N 3.14Å; G655-D657 PolarHBondContact O-N 3.16Å; G655-A658 PolarHBondContact O-N 3.37Å; G655-L659 PolarHBondContact O-N 2.86Å
656I79.4Confident78.2Confident5 Ų555.3 Ų55.33%0.02631%0.308CS..Hα-helixtrans-57.7-47.8-175.9-70.3172000111.5L647 L648 F653 A658 L659 I660L647-I656 HydrophobicContact CB-CD1 4.34Å; L647-I656 HydrophobicContact CB-CG1 4.25Å; L647-I656 HydrophobicContact CB-CG2 4.1Å; L647-I656 HydrophobicContact CD1-CG2 4.09Å; L648-I656 HydrophobicContact CD2-CD1 4.31Å; F653-I656 HydrophobicContact CD1-CD1 3.91Å; F653-I656 HydrophobicContact CD1-CG1 3.7Å; F653-I656 HydrophobicContact CD2-CG1 3.83Å; F653-I656 HydrophobicContact CE1-CD1 3.97Å; F653-I656 HydrophobicContact CE1-CG1 3.5Å; F653-I656 HydrophobicContact CE2-CB 4.46Å; F653-I656 HydrophobicContact CE2-CG1 3.65Å; F653-I656 HydrophobicContact CG-CD1 4.3Å; F653-I656 HydrophobicContact CG-CG1 3.85Å; F653-I656 HydrophobicContact CZ-CD1 4.43Å; F653-I656 HydrophobicContact CZ-CG1 3.47Å; F653-I656 VanDerWaalsContact CZ-CG1 3.47Å; F653-I656 VanDerWaalsContact O-CG1 3.3Å; F653-I656 WeakPolarHBondContact O-CG1 3.13Å; F653-I656 PolarHBondContact O-N 3.01Å; I656-A658 VanDerWaalsContact C-N 3.31Å; I656-A658 PolarHBondContact O-N 3.45Å; I656-L659 PolarHBondContact O-N 3.28Å; I656-I660 HydrophobicContact CG2-CD1 3.63Å; I656-I660 HydrophobicContact CG2-CG1 4.39Å; I656-I660 VanDerWaalsContact O-CG1 3.31Å; I656-I660 WeakPolarHBondContact O-CG1 3.29Å; I656-I660 PolarHBondContact O-N 2.58Å
657D82.3Confident78.3Confident96 Ų9654.4 Ų54.451%0.51330%0.297SS..Hα-helixtrans-63.4-38.2-179.1-70.2-38.9000112.1H644 G655 I660 Q661H644-D657 IonicContact NE2-OD1 2.87Å; G655-D657 PolarHBondContact O-N 3.16Å; D657-I660 PolarHBondContact O-N 2.92Å; D657-Q661 WeakPolarHBondContact O-CG 2.98Å; D657-Q661 PolarHBondContact O-N 3.49Å
658A83.3Confident78.4Confident36 Ų3659.6 Ų59.630%0.29832%0.319SS..Hα-helixtrans-66.2-40.7177.100000111.7F607 G655 I656 Q661 F662F607-A658 HydrophobicContact CZ-CB 4.21Å; G655-A658 PolarHBondContact O-N 3.37Å; I656-A658 VanDerWaalsContact C-N 3.31Å; I656-A658 PolarHBondContact O-N 3.45Å; A658-Q661 PolarHBondContact O-N 2.71Å; A658-F662 WeakPolarHBondContact O-CB 3.27Å; A658-F662 PolarHBondContact O-N 3.15Å
659L81.9Confident78.3Confident0 Ų057.3 Ų57.30%031%0.307CS..Hα-helixtrans-65.9-39.2175-72.9174.8000112.2V608 C611 I612 V624 V628 F653 G655 I656 F662 W663V608-L659 HydrophobicContact CB-CD2 4.32Å; V608-L659 HydrophobicContact CG1-CD2 4.08Å; V608-L659 HydrophobicContact CG2-CD2 4.13Å; C611-L659 HydrophobicContact CB-CD1 4.24Å; C611-L659 HydrophobicContact CB-CD2 3.93Å; C611-L659 HydrophobicContact CB-CG 3.82Å; I612-L659 HydrophobicContact CG1-CD1 4.42Å; V624-L659 HydrophobicContact CG1-CD1 4.05Å; V628-L659 HydrophobicContact CG1-CD2 4.42Å; V628-L659 HydrophobicContact CG2-CB 4.2Å; V628-L659 HydrophobicContact CG2-CD1 4.11Å; V628-L659 HydrophobicContact CG2-CD2 4.11Å; V628-L659 HydrophobicContact CG2-CG 4.38Å; F653-L659 HydrophobicContact CE2-CD1 3.61Å; F653-L659 HydrophobicContact CZ-CD1 3.7Å; G655-L659 PolarHBondContact O-N 2.86Å; I656-L659 PolarHBondContact O-N 3.28Å; L659-F662 PolarHBondContact O-N 2.64Å; L659-W663 WeakPolarHBondContact O-CB 3.27Å; L659-W663 PolarHBondContact O-N 3.33Å
660I78.8Confident78.4Confident20 Ų2054.1 Ų54.110%0.10327%0.274CS..Hα-helixtrans-66.4-42.7176.2-66161.7000110.3A640 L643 H644 L647 I656 D657 F662 W663 S664A640-I660 HydrophobicContact CB-CG2 4.02Å; L643-I660 HydrophobicContact CD2-CG1 4.15Å; H644-I660 HydrophobicContact CB-CD1 3.51Å; H644-I660 WeakPolarHBondContact CD2-CD1 3.43Å; H644-I660 VanDerWaalsContact CG-CD1 3.49Å; L647-I660 HydrophobicContact CD1-CG1 4.11Å; I656-I660 HydrophobicContact CG2-CD1 3.63Å; I656-I660 HydrophobicContact CG2-CG1 4.39Å; I656-I660 VanDerWaalsContact O-CG1 3.31Å; I656-I660 WeakPolarHBondContact O-CG1 3.29Å; I656-I660 PolarHBondContact O-N 2.58Å; D657-I660 PolarHBondContact O-N 2.92Å; I660-F662 VanDerWaalsContact C-N 3.35Å; I660-W663 PolarHBondContact O-N 2.99Å; I660-S664 VanDerWaalsContact O-CB 3.28Å; I660-S664 WeakPolarHBondContact O-CB 3.24Å; I660-S664 PolarHBondContact O-N 3.1Å; I660-S664 PolarHBondContact O-OG 3Å
661Q83.3Confident78.6Confident139 Ų13954.1 Ų54.165%0.6527%0.274SS*.Hα-helixtrans-60.8-45.7174.6-78.1-168.66.300111.4D657 A658 W663 S664 H665D657-Q661 WeakPolarHBondContact O-CG 2.98Å; D657-Q661 PolarHBondContact O-N 3.49Å; A658-Q661 PolarHBondContact O-N 2.71Å; Q661-W663 PolarHBondContact O-N 3.07Å; Q661-S664 WeakPolarHBondContact CA-OG 3.34Å; Q661-S664 PolarHBondContact O-N 2.77Å; Q661-S664 PolarHBondContact O-OG 3.47Å; Q661-H665 WeakPolarHBondContact O-CB 3.24Å; Q661-H665 PolarHBondContact O-N 3.42Å
662F81.6Confident79.2Confident32 Ų3255.2 Ų55.214%0.1428%0.275CS..Hα-helixtrans-57.4-49.1175177.4-96.3000112.1L600 D604 F607 V608 V628 A658 L659 I660 S664 H665 R666L600-F662 HydrophobicContact CD2-CE1 4.08Å; L600-F662 HydrophobicContact CD2-CZ 4Å; D604-F662 HydrophobicContact CB-CE2 4.25Å; D604-F662 HydrophobicContact CB-CZ 3.84Å; D604-F662 WeakPolarHBondContact OD1-CE2 3.22Å; F607-F662 HydrophobicContact CD1-CB 4.48Å; F607-F662 AromaticContact CD1-CD2 3.9Å; F607-F662 HydrophobicContact CD1-CD2 3.9Å; F607-F662 HydrophobicContact CD1-CE2 4.41Å; F607-F662 HydrophobicContact CD1-CG 4.22Å; F607-F662 HydrophobicContact CE1-CB 3.88Å; F607-F662 HydrophobicContact CE1-CD2 4.03Å; F607-F662 HydrophobicContact CE1-CG 4.1Å; V608-F662 HydrophobicContact CG2-CD1 4.36Å; V608-F662 HydrophobicContact CG2-CE1 4.05Å; V628-F662 HydrophobicContact CG1-CD1 4.21Å; V628-F662 HydrophobicContact CG1-CE1 4.41Å; A658-F662 WeakPolarHBondContact O-CB 3.27Å; A658-F662 PolarHBondContact O-N 3.15Å; L659-F662 PolarHBondContact O-N 2.64Å; I660-F662 VanDerWaalsContact C-N 3.35Å; F662-S664 PolarHBondContact O-N 2.96Å; F662-H665 WeakPolarHBondContact O-CB 3.44Å; F662-H665 PolarHBondContact O-N 3.39Å; F662-R666 PolarHBondContact O-N 3.01Å
663W80Confident79.6Confident4 Ų446.5 Ų46.52%0.01524%0.241CC..Hα-helixtrans-60-45176.7-177.490.6000112.2V628 T630 R632 V638 L643 L659 I660 Q661 H665 R666 H667V628-W663 VanDerWaalsContact O-CD1 3.26Å; T630-W663 PolarHBondContact O-NE1 2.99Å; R632-W663 HydrophobicContact CG-CH2 4.11Å; R632-W663 HydrophobicContact CG-CZ2 4.11Å; V638-W663 HydrophobicContact CG1-CH2 4.4Å; V638-W663 HydrophobicContact CG1-CZ2 3.98Å; L643-W663 HydrophobicContact CD1-CD2 4.5Å; L643-W663 HydrophobicContact CD2-CB 4.13Å; L643-W663 HydrophobicContact CD2-CD2 4.34Å; L643-W663 HydrophobicContact CD2-CG 4Å; L659-W663 WeakPolarHBondContact O-CB 3.27Å; L659-W663 PolarHBondContact O-N 3.33Å; I660-W663 PolarHBondContact O-N 2.99Å; Q661-W663 PolarHBondContact O-N 3.07Å; W663-H665 VanDerWaalsContact C-N 3.29Å; W663-H665 PolarHBondContact O-N 3.36Å; W663-R666 PolarHBondContact O-N 3.1Å; W663-H667 AromaticContact CD1-CE1 3.7Å; W663-H667 AromaticContact CD1-ND1 3.85Å; W663-H667 AromaticContact CD2-CE1 3.93Å; W663-H667 AromaticContact CD2-ND1 3.54Å; W663-H667 AromaticContact CE2-CE1 3.23Å; W663-H667 AromaticContact CE2-CG 3.96Å; W663-H667 AromaticContact CE2-ND1 3.3Å; W663-H667 VanDerWaalsContact CE2-ND1 3.3Å; W663-H667 AromaticContact CE2-NE2 3.84Å; W663-H667 AromaticContact CG-ND1 3.9Å; W663-H667 AromaticContact CZ2-CD2 3.86Å; W663-H667 AromaticContact CZ2-CE1 3.55Å; W663-H667 AromaticContact CZ2-CG 3.85Å; W663-H667 AromaticContact CZ2-ND1 3.66Å; W663-H667 AromaticContact CZ2-NE2 3.66Å; W663-H667 HydrophobicContact CZ3-CB 4.47Å; W663-H667 AromaticContact NE1-CE1 3.1Å; W663-H667 PolarHBondContact NE1-CE1 3.5Å; W663-H667 AromaticContact NE1-ND1 3.53Å; W663-H667 AromaticContact NE1-NE2 3.92Å; W663-H667 PolarHBondContact O-N 2.81Å; W663-H667 VanDerWaalsContact O-N 3.1Å; W663-H667 PolarHBondContact O-ND1 3.41Å
664S78.2Confident79.9Confident52 Ų5246.3 Ų46.336%0.36424%0.24SC..Hα-helixtrans-64.2-35.3179.474.30000112.1I660 Q661 F662 H667 K668I660-S664 VanDerWaalsContact O-CB 3.28Å; I660-S664 WeakPolarHBondContact O-CB 3.24Å; I660-S664 PolarHBondContact O-N 3.1Å; I660-S664 PolarHBondContact O-OG 3Å; Q661-S664 WeakPolarHBondContact CA-OG 3.34Å; Q661-S664 PolarHBondContact O-N 2.77Å; Q661-S664 PolarHBondContact O-OG 3.47Å; F662-S664 PolarHBondContact O-N 2.96Å; S664-H667 PolarHBondContact O-N 3.05Å; S664-K668 PolarHBondContact O-N 3.22Å
665H78.9Confident80.4Confident139 Ų13943.4 Ų43.464%0.64421%0.213SC*.Hα-helixtrans-64.6-45.7177.4-167.279.2000111.1Q661 F662 W663 H667 K668Q661-H665 WeakPolarHBondContact O-CB 3.24Å; Q661-H665 PolarHBondContact O-N 3.42Å; F662-H665 WeakPolarHBondContact O-CB 3.44Å; F662-H665 PolarHBondContact O-N 3.39Å; W663-H665 VanDerWaalsContact C-N 3.29Å; W663-H665 PolarHBondContact O-N 3.36Å; H665-H667 VanDerWaalsContact C-N 3.35Å; H665-H667 PolarHBondContact O-N 3.49Å; H665-K668 VanDerWaalsContact O-CB 3.26Å; H665-K668 WeakPolarHBondContact O-CB 3.37Å; H665-K668 PolarHBondContact O-N 2.83Å
666R74.1Confident80.8Confident39 Ų3944.4 Ų44.415%0.14722%0.215CC..Hα-helixtrans-63.8-38.8176.9-66.7-176.179.8110.1-5.3112.6L597 F598 R599 D604 F662 W663 K668L597-R666 VanDerWaalsContact O-CZ 3.23Å; L597-R666 PolarHBondContact O-NE 2.78Å; L597-R666 PolarHBondContact O-NH2 3.25Å; F598-R666 PolarHBondContact O-NH2 2.95Å; R599-R666 VanDerWaalsContact C-NH2 3.31Å; R599-R666 PolarHBondContact O-NH2 3.25Å; D604-R666 IonicContact OD2-NH1 3.19Å; D604-R666 PolarHBondContact OD2-NH1 3.34Å; F662-R666 PolarHBondContact O-N 3.01Å; W663-R666 PolarHBondContact O-N 3.1Å; R666-K668 VanDerWaalsContact C-N 3.29Å; R666-K668 PolarHBondContact O-N 2.92Å
667H77.5Confident81.3Confident6 Ų644.3 Ų44.33%0.02822%0.215CC..Hα-helixtrans-78.7-10.8-179.9-74.980.1000114.3V631 R632 W663 S664 H665 L669 L670 L671V631-H667 WeakPolarHBondContact CA-NE2 3.2Å; R632-H667 PolarHBondContact N-NE2 3.14Å; W663-H667 AromaticContact CD1-CE1 3.7Å; W663-H667 AromaticContact CD1-ND1 3.85Å; W663-H667 AromaticContact CD2-CE1 3.93Å; W663-H667 AromaticContact CD2-ND1 3.54Å; W663-H667 AromaticContact CE2-CE1 3.23Å; W663-H667 AromaticContact CE2-CG 3.96Å; W663-H667 AromaticContact CE2-ND1 3.3Å; W663-H667 VanDerWaalsContact CE2-ND1 3.3Å; W663-H667 AromaticContact CE2-NE2 3.84Å; W663-H667 AromaticContact CG-ND1 3.9Å; W663-H667 AromaticContact CZ2-CD2 3.86Å; W663-H667 AromaticContact CZ2-CE1 3.55Å; W663-H667 AromaticContact CZ2-CG 3.85Å; W663-H667 AromaticContact CZ2-ND1 3.66Å; W663-H667 AromaticContact CZ2-NE2 3.66Å; W663-H667 HydrophobicContact CZ3-CB 4.47Å; W663-H667 AromaticContact NE1-CE1 3.1Å; W663-H667 PolarHBondContact NE1-CE1 3.5Å; W663-H667 AromaticContact NE1-ND1 3.53Å; W663-H667 AromaticContact NE1-NE2 3.92Å; W663-H667 PolarHBondContact O-N 2.81Å; W663-H667 VanDerWaalsContact O-N 3.1Å; W663-H667 PolarHBondContact O-ND1 3.41Å; S664-H667 PolarHBondContact O-N 3.05Å; H665-H667 VanDerWaalsContact C-N 3.35Å; H665-H667 PolarHBondContact O-N 3.49Å; H667-L669 PolarHBondContact O-N 2.62Å; H667-L670 PolarHBondContact O-N 3.45Å; H667-L671 PolarHBondContact O-N 3.44Å; H667-L671 VanDerWaalsContact O-N 3.08Å
668K79.5Confident81.7Confident109 Ų10939.8 Ų39.847%0.47419%0.191SC..Hα-helixtrans-59.7-33.9178.9-165.4173.1-175.91750112.3S664 H665 R666 L671 R672S664-K668 PolarHBondContact O-N 3.22Å; H665-K668 VanDerWaalsContact O-CB 3.26Å; H665-K668 WeakPolarHBondContact O-CB 3.37Å; H665-K668 PolarHBondContact O-N 2.83Å; R666-K668 VanDerWaalsContact C-N 3.29Å; R666-K668 PolarHBondContact O-N 2.92Å; K668-L671 PolarHBondContact O-N 2.61Å; K668-R672 WeakPolarHBondContact O-CG 3.29Å; K668-R672 PolarHBondContact O-N 2.93Å; K668-R672 VanDerWaalsContact O-N 3.07Å
669L75.6Confident81.9Confident25 Ų2545.9 Ų45.913%0.13121%0.206CC..Hα-helixtrans-65.9-47.3177.1-170.5117.8000111.8Y546 L588 L597 H667 L671 R672 L673Y546-L669 VanDerWaalsContact O-CD2 3.23Å; Y546-L669 WeakPolarHBondContact O-CD2 3.49Å; Y546-L669 VanDerWaalsContact O-CG 3.27Å; Y546-L669 WeakPolarHBondContact O-CG 3.28Å; L588-L669 HydrophobicContact CD2-CD2 4.46Å; L597-L669 HydrophobicContact CD1-CD1 4.16Å; L597-L669 HydrophobicContact CD1-CD2 3.64Å; L597-L669 HydrophobicContact CD1-CG 4.44Å; L597-L669 HydrophobicContact CD2-CB 4.08Å; L597-L669 HydrophobicContact CD2-CD2 3.86Å; L597-L669 HydrophobicContact CD2-CG 4.4Å; L597-L669 HydrophobicContact CG-CD2 4.41Å; H667-L669 PolarHBondContact O-N 2.62Å; L669-L671 VanDerWaalsContact C-N 3.27Å; L669-L671 PolarHBondContact O-N 3.38Å; L669-R672 WeakPolarHBondContact O-CB 3.49Å; L669-R672 PolarHBondContact O-N 3.01Å; L669-L673 PolarHBondContact O-N 3.14Å; L669-L673 VanDerWaalsContact O-N 3.07Å
670L77.9Confident82.3Confident1 Ų146.3 Ų46.31%0.00521%0.208CC..Hα-helixtrans-58.2-41.2175.6-167.794.9000111.5L588 V589 R632 H667 L673 Y674L588-L670 HydrophobicContact CD2-CD1 3.94Å; V589-L670 HydrophobicContact CG2-CD1 3.79Å; R632-L670 HydrophobicContact CB-CD2 3.77Å; H667-L670 PolarHBondContact O-N 3.45Å; L670-L673 VanDerWaalsContact O-CB 3.3Å; L670-L673 WeakPolarHBondContact O-CB 3.47Å; L670-L673 PolarHBondContact O-N 3.01Å; L670-Y674 HydrophobicContact CD2-CD2 4.32Å; L670-Y674 HydrophobicContact CD2-CE2 3.42Å; L670-Y674 VanDerWaalsContact CD2-CE2 3.42Å; L670-Y674 HydrophobicContact CG-CD2 4.32Å; L670-Y674 HydrophobicContact CG-CE2 3.67Å; L670-Y674 WeakPolarHBondContact O-CD2 3.47Å; L670-Y674 PolarHBondContact O-N 3.04Å
671L79.7Confident82.9Confident29 Ų2945.5 Ų45.515%0.15220%0.204CC..Hα-helixtrans-63.3-42176.9-73.2170.5000112.4H667 K668 L669 L673 Y674 E675 D712 I713H667-L671 PolarHBondContact O-N 3.44Å; H667-L671 VanDerWaalsContact O-N 3.08Å; K668-L671 PolarHBondContact O-N 2.61Å; L669-L671 VanDerWaalsContact C-N 3.27Å; L669-L671 PolarHBondContact O-N 3.38Å; L671-L673 VanDerWaalsContact C-N 3.27Å; L671-L673 PolarHBondContact O-N 3.18Å; L671-Y674 PolarHBondContact O-N 3.42Å; L671-E675 WeakPolarHBondContact O-CG 3.1Å; L671-E675 PolarHBondContact O-N 2.87Å; L671-D712 HydrophobicContact CD1-CB 4.18Å; L671-D712 HydrophobicContact CD2-CB 3.9Å; L671-I713 HydrophobicContact CD2-CD1 4.2Å; L671-I713 HydrophobicContact CD2-CG1 3.58Å
672R81.8Confident83.2Confident109 Ų10940 Ų4041%0.41118%0.178SC..Hα-helixtrans-60.9-38.8173.9-72.4177.6-177.8166.21.3112S545 K668 L669 E675 Q676S545-R672 PolarHBondContact O-NH1 3.46Å; K668-R672 WeakPolarHBondContact O-CG 3.29Å; K668-R672 PolarHBondContact O-N 2.93Å; K668-R672 VanDerWaalsContact O-N 3.07Å; L669-R672 WeakPolarHBondContact O-CB 3.49Å; L669-R672 PolarHBondContact O-N 3.01Å; R672-E675 PolarHBondContact O-N 2.9Å; R672-Q676 PolarHBondContact O-N 2.88Å
673L83.4Confident83.5Confident0 Ų041.4 Ų41.40%019%0.185CC..Hα-helixtrans-61.2-45.5176.6-126.6155.4000111Y546 L581 Y584 L669 L670 L671 Q676 M677Y546-L673 HydrophobicContact CD2-CG 4.29Å; Y546-L673 WeakPolarHBondContact O-CD1 3.43Å; L581-L673 HydrophobicContact CB-CD2 4.47Å; L581-L673 HydrophobicContact CD2-CD2 3.78Å; Y584-L673 HydrophobicContact CD1-CD1 3.72Å; Y584-L673 HydrophobicContact CD1-CD2 4.35Å; Y584-L673 HydrophobicContact CE1-CD1 3.8Å; L669-L673 PolarHBondContact O-N 3.14Å; L669-L673 VanDerWaalsContact O-N 3.07Å; L670-L673 VanDerWaalsContact O-CB 3.3Å; L670-L673 WeakPolarHBondContact O-CB 3.47Å; L670-L673 PolarHBondContact O-N 3.01Å; L671-L673 VanDerWaalsContact C-N 3.27Å; L671-L673 PolarHBondContact O-N 3.18Å; L673-Q676 PolarHBondContact O-N 2.59Å; L673-M677 WeakPolarHBondContact O-CB 3.46Å; L673-M677 PolarHBondContact O-N 3.4Å
674Y84.5Confident83.8Confident6 Ų641.3 Ų41.32%0.02419%0.185CC..Hα-helixtrans-66.5-41.3174.1-63.3-38.2000112.9L670 L671 Q676 M677 F678 L705 H709 I713L670-Y674 HydrophobicContact CD2-CD2 4.32Å; L670-Y674 HydrophobicContact CD2-CE2 3.42Å; L670-Y674 VanDerWaalsContact CD2-CE2 3.42Å; L670-Y674 HydrophobicContact CG-CD2 4.32Å; L670-Y674 HydrophobicContact CG-CE2 3.67Å; L670-Y674 WeakPolarHBondContact O-CD2 3.47Å; L670-Y674 PolarHBondContact O-N 3.04Å; L671-Y674 PolarHBondContact O-N 3.42Å; Y674-Q676 VanDerWaalsContact C-N 3.27Å; Y674-Q676 PolarHBondContact O-N 3.22Å; Y674-M677 HydrophobicContact CD1-CE 4.11Å; Y674-M677 HydrophobicContact CE1-CE 4.46Å; Y674-M677 WeakPolarHBondContact O-CB 3.48Å; Y674-M677 PolarHBondContact O-N 2.86Å; Y674-M677 VanDerWaalsContact O-N 3.11Å; Y674-F678 WeakPolarHBondContact O-CD2 3.33Å; Y674-F678 PolarHBondContact O-N 2.7Å; Y674-L705 HydrophobicContact CD1-CD2 4.08Å; Y674-L705 HydrophobicContact CE1-CD2 3.9Å; Y674-H709 AromaticContact CE2-CD2 3.53Å; Y674-H709 AromaticContact CE2-NE2 3.65Å; Y674-H709 AromaticContact CZ-NE2 3.95Å; Y674-I713 HydrophobicContact CD2-CD1 3.73Å; Y674-I713 HydrophobicContact CG-CD1 4.08Å
675E87.1Confident84.2Confident56 Ų5639 Ų3926%0.26217%0.168SC..Hα-helixtrans-56.7-43.5174.6-75.3178171.100111.4L671 R672 F678 R679 S716L671-E675 WeakPolarHBondContact O-CG 3.1Å; L671-E675 PolarHBondContact O-N 2.87Å; R672-E675 PolarHBondContact O-N 2.9Å; E675-F678 PolarHBondContact O-N 3.37Å; E675-R679 WeakPolarHBondContact O-CG 3.35Å; E675-R679 PolarHBondContact O-N 3.14Å; E675-R679 VanDerWaalsContact O-N 3.08Å; E675-S716 WeakPolarHBondContact OE1-CB 3.48Å; E675-S716 PolarHBondContact OE1-OG 3.29Å
676Q87.7Confident84.6Confident30 Ų3038.3 Ų38.314%0.1416%0.164CC..Hα-helixtrans-65.9-40.4176.1-170.262.71.700111.6Y546 L581 R672 L673 Y674 F678 R679 V680Y546-Q676 HydrophobicContact CE1-CG 4.46Å; L581-Q676 HydrophobicContact CD1-CG 4.35Å; R672-Q676 PolarHBondContact O-N 2.88Å; L673-Q676 PolarHBondContact O-N 2.59Å; Y674-Q676 VanDerWaalsContact C-N 3.27Å; Y674-Q676 PolarHBondContact O-N 3.22Å; Q676-F678 PolarHBondContact O-N 2.91Å; Q676-R679 WeakPolarHBondContact O-CB 3.4Å; Q676-R679 PolarHBondContact O-N 2.93Å; Q676-V680 WeakPolarHBondContact O-CG2 3.22Å; Q676-V680 PolarHBondContact O-N 3.11Å; Q676-V680 VanDerWaalsContact O-N 3.1Å
677M89.3Confident85Confident3 Ų338.8 Ų38.82%0.01517%0.169CC..Hα-helixtrans-60.6-44.2175.4-160.3-173.5-61.500112.2L581 L673 Y674 R679 V680 F681 L705L581-M677 HydrophobicContact CB-CE 4.06Å; L581-M677 HydrophobicContact CB-CG 4.34Å; L581-M677 HydrophobicContact CD1-CB 4.42Å; L673-M677 WeakPolarHBondContact O-CB 3.46Å; L673-M677 PolarHBondContact O-N 3.4Å; Y674-M677 HydrophobicContact CD1-CE 4.11Å; Y674-M677 HydrophobicContact CE1-CE 4.46Å; Y674-M677 WeakPolarHBondContact O-CB 3.48Å; Y674-M677 PolarHBondContact O-N 2.86Å; Y674-M677 VanDerWaalsContact O-N 3.11Å; M677-R679 PolarHBondContact O-N 2.91Å; M677-V680 PolarHBondContact O-N 3.36Å; M677-F681 HydrophobicContact CB-CE2 4.41Å; M677-F681 HydrophobicContact CG-CD2 4.16Å; M677-F681 HydrophobicContact CG-CE1 4.23Å; M677-F681 HydrophobicContact CG-CE2 3.47Å; M677-F681 VanDerWaalsContact CG-CE2 3.47Å; M677-F681 HydrophobicContact CG-CZ 3.51Å; M677-F681 WeakPolarHBondContact O-CD2 3.19Å; M677-F681 VanDerWaalsContact O-CG 3.29Å; M677-F681 WeakPolarHBondContact O-CG 3.45Å; M677-F681 PolarHBondContact O-N 3.42Å; M677-F681 HydrophobicContact SD-CE2 3.68Å; M677-F681 HydrophobicContact SD-CZ 3.65Å; M677-L705 HydrophobicContact SD-CD1 3.68Å
678F90.5Very high84.6Confident0 Ų041.5 Ų41.50%019%0.189CC..Hα-helixtrans-62.5-39.5175.4-83.5-73.6000112.4Y674 E675 Q676 V680 F681 F682 I702 L705 I713 I717Y674-F678 WeakPolarHBondContact O-CD2 3.33Å; Y674-F678 PolarHBondContact O-N 2.7Å; E675-F678 PolarHBondContact O-N 3.37Å; Q676-F678 PolarHBondContact O-N 2.91Å; F678-V680 VanDerWaalsContact C-N 3.31Å; F678-V680 PolarHBondContact O-N 3.33Å; F678-F681 HydrophobicContact CD1-CD2 4.5Å; F678-F681 PolarHBondContact O-N 3.43Å; F678-F682 HydrophobicContact CB-CE2 4.03Å; F678-F682 HydrophobicContact CB-CZ 4.24Å; F678-F682 HydrophobicContact CD1-CE1 4.3Å; F678-F682 AromaticContact CD1-CZ 3.95Å; F678-F682 HydrophobicContact CD1-CZ 3.95Å; F678-F682 HydrophobicContact CG-CZ 4.5Å; F678-F682 WeakPolarHBondContact O-CD2 3.39Å; F678-F682 WeakPolarHBondContact O-CG 3.28Å; F678-F682 PolarHBondContact O-N 3.41Å; F678-I702 HydrophobicContact CD1-CG1 4.25Å; F678-I702 HydrophobicContact CE1-CB 4.21Å; F678-I702 HydrophobicContact CE1-CG1 4.09Å; F678-I702 HydrophobicContact CE1-CG2 4.01Å; F678-L705 HydrophobicContact CE2-CB 4.03Å; F678-L705 HydrophobicContact CE2-CD1 4.37Å; F678-L705 HydrophobicContact CZ-CB 3.64Å; F678-L705 HydrophobicContact CZ-CD1 4.36Å; F678-I713 HydrophobicContact CD2-CG2 3.92Å; F678-I713 HydrophobicContact CE2-CD1 4.24Å; F678-I713 HydrophobicContact CE2-CG2 3.77Å; F678-I717 HydrophobicContact CB-CG2 3.79Å; F678-I717 HydrophobicContact CD1-CD1 4.23Å; F678-I717 HydrophobicContact CD1-CG2 4.47Å; F678-I717 HydrophobicContact CD2-CD1 4.35Å; F678-I717 HydrophobicContact CD2-CG2 3.93Å; F678-I717 HydrophobicContact CE1-CD1 3.99Å; F678-I717 HydrophobicContact CE2-CD1 4.16Å; F678-I717 HydrophobicContact CG-CD1 4.41Å; F678-I717 HydrophobicContact CG-CG2 3.82Å; F678-I717 HydrophobicContact CZ-CD1 3.96Å
679R89.4Confident83.9Confident165 Ų16537.2 Ų37.262%0.62317%0.172SC*.Hα-helixtrans-58.8-44.8174.4-72.7172.3178.7177.2-0.7111.6E675 Q676 M677 F682 Q683E675-R679 WeakPolarHBondContact O-CG 3.35Å; E675-R679 PolarHBondContact O-N 3.14Å; E675-R679 VanDerWaalsContact O-N 3.08Å; Q676-R679 WeakPolarHBondContact O-CB 3.4Å; Q676-R679 PolarHBondContact O-N 2.93Å; M677-R679 PolarHBondContact O-N 2.91Å; R679-F682 PolarHBondContact O-N 3.46Å; R679-Q683 PolarHBondContact O-N 3.33Å
680V89.3Confident83.6Confident8 Ų845.7 Ų45.75%0.04821%0.211CC..Hα-helixtrans-64.6-46176.8-178.60000110.3H574 F577 A578 L581 Q676 M677 F678 F682 Q683 V684H574-V680 HydrophobicContact CB-CG1 4.08Å; H574-V680 VanDerWaalsContact O-CG1 3.3Å; H574-V680 WeakPolarHBondContact O-CG1 3.31Å; F577-V680 HydrophobicContact CD1-CG1 4.32Å; F577-V680 HydrophobicContact CD1-CG2 3.56Å; F577-V680 HydrophobicContact CE1-CG2 3.67Å; A578-V680 HydrophobicContact CB-CG1 3.85Å; L581-V680 HydrophobicContact CD1-CG2 4.11Å; Q676-V680 WeakPolarHBondContact O-CG2 3.22Å; Q676-V680 PolarHBondContact O-N 3.11Å; Q676-V680 VanDerWaalsContact O-N 3.1Å; M677-V680 PolarHBondContact O-N 3.36Å; F678-V680 VanDerWaalsContact C-N 3.31Å; F678-V680 PolarHBondContact O-N 3.33Å; V680-F682 PolarHBondContact O-N 3.26Å; V680-Q683 WeakPolarHBondContact O-CB 3.29Å; V680-Q683 PolarHBondContact O-N 3.45Å; V680-Q683 VanDerWaalsContact O-N 3.09Å; V680-V684 HydrophobicContact CG1-CG2 4.37Å; V680-V684 WeakPolarHBondContact O-CG2 3.46Å; V680-V684 PolarHBondContact O-N 2.6Å
681F90.6Very high83.4Confident3 Ų349.6 Ų49.61%0.01323%0.232CC..Hα-helixtrans-59.5-42.3177.2-65.8-33.7000113.1A578 M677 F678 Q683 V684 L685 T698 R701 I702 L705A578-F681 HydrophobicContact CB-CD1 4.07Å; A578-F681 HydrophobicContact CB-CE1 3.69Å; M677-F681 HydrophobicContact CB-CE2 4.41Å; M677-F681 HydrophobicContact CG-CD2 4.16Å; M677-F681 HydrophobicContact CG-CE1 4.23Å; M677-F681 HydrophobicContact CG-CE2 3.47Å; M677-F681 VanDerWaalsContact CG-CE2 3.47Å; M677-F681 HydrophobicContact CG-CZ 3.51Å; M677-F681 WeakPolarHBondContact O-CD2 3.19Å; M677-F681 VanDerWaalsContact O-CG 3.29Å; M677-F681 WeakPolarHBondContact O-CG 3.45Å; M677-F681 PolarHBondContact O-N 3.42Å; M677-F681 HydrophobicContact SD-CE2 3.68Å; M677-F681 HydrophobicContact SD-CZ 3.65Å; F678-F681 HydrophobicContact CD1-CD2 4.5Å; F678-F681 PolarHBondContact O-N 3.43Å; F681-Q683 VanDerWaalsContact C-N 3.29Å; F681-Q683 PolarHBondContact O-N 3.06Å; F681-V684 WeakPolarHBondContact O-CB 3.45Å; F681-V684 PolarHBondContact O-N 3.42Å; F681-L685 WeakPolarHBondContact O-CG 3.45Å; F681-L685 PolarHBondContact O-N 2.92Å; F681-T698 HydrophobicContact CB-CG2 3.73Å; F681-T698 HydrophobicContact CD1-CG2 3.73Å; F681-T698 HydrophobicContact CG-CG2 3.93Å; F681-R701 HydrophobicContact CE2-CB 4.13Å; F681-R701 HydrophobicContact CZ-CB 3.91Å; F681-I702 HydrophobicContact CB-CD1 3.94Å; F681-I702 HydrophobicContact CB-CG1 4.02Å; F681-I702 HydrophobicContact CD2-CG1 3.83Å; F681-I702 HydrophobicContact CG-CG1 4.21Å; F681-L705 HydrophobicContact CE2-CD1 3.96Å
682F90.7Very high83.5Confident24 Ų2454.7 Ų54.711%0.10526%0.255CS..Hα-helixtrans-64.2-36.7175.7-60.9-33000111.7F678 R679 V680 L685 K686 I702 I717 L721 I724F678-F682 HydrophobicContact CB-CE2 4.03Å; F678-F682 HydrophobicContact CB-CZ 4.24Å; F678-F682 HydrophobicContact CD1-CE1 4.3Å; F678-F682 AromaticContact CD1-CZ 3.95Å; F678-F682 HydrophobicContact CD1-CZ 3.95Å; F678-F682 HydrophobicContact CG-CZ 4.5Å; F678-F682 WeakPolarHBondContact O-CD2 3.39Å; F678-F682 WeakPolarHBondContact O-CG 3.28Å; F678-F682 PolarHBondContact O-N 3.41Å; R679-F682 PolarHBondContact O-N 3.46Å; V680-F682 PolarHBondContact O-N 3.26Å; F682-L685 PolarHBondContact O-N 3.47Å; F682-K686 WeakPolarHBondContact O-CG 3.42Å; F682-K686 PolarHBondContact O-N 2.91Å; F682-I702 HydrophobicContact CD1-CD1 4.4Å; F682-I702 HydrophobicContact CE1-CD1 4.25Å; F682-I717 HydrophobicContact CE2-CB 4.23Å; F682-I717 HydrophobicContact CE2-CG2 4.49Å; F682-I717 HydrophobicContact CZ-CB 4.2Å; F682-L721 HydrophobicContact CZ-CB 4.49Å; F682-I724 HydrophobicContact CD1-CD1 3.99Å; F682-I724 HydrophobicContact CD1-CG1 4.31Å; F682-I724 HydrophobicContact CE1-CD1 3.82Å; F682-I724 HydrophobicContact CE1-CG1 4.5Å
683Q87.8Confident83.7Confident62 Ų6255.7 Ų55.729%0.2926%0.262SS..Hα-helixtrans-66.1-43.6174.2-170.661.91700111.8P568 R679 V680 F681 L685 K686 L687P568-Q683 PolarHBondContact O-NE2 3.43Å; R679-Q683 PolarHBondContact O-N 3.33Å; V680-Q683 WeakPolarHBondContact O-CB 3.29Å; V680-Q683 PolarHBondContact O-N 3.45Å; V680-Q683 VanDerWaalsContact O-N 3.09Å; F681-Q683 VanDerWaalsContact C-N 3.29Å; F681-Q683 PolarHBondContact O-N 3.06Å; Q683-L685 VanDerWaalsContact C-N 3.27Å; Q683-L685 PolarHBondContact O-N 3.16Å; Q683-K686 PolarHBondContact O-N 3.11Å; Q683-K686 VanDerWaalsContact O-N 3.12Å; Q683-L687 WeakPolarHBondContact O-CG 3.47Å; Q683-L687 PolarHBondContact O-N 2.98Å
684V86.4Confident83.7Confident1 Ų158 Ų581%0.00627%0.273CS..Hα-helixtrans-55-44.4173.51710000110.8F571 H574 V680 F681 L687 T698F571-V684 HydrophobicContact CD2-CG1 4.36Å; F571-V684 HydrophobicContact CE2-CB 4.48Å; F571-V684 HydrophobicContact CE2-CG1 3.52Å; F571-V684 HydrophobicContact CZ-CG1 4.15Å; H574-V684 HydrophobicContact CB-CG2 3.53Å; V680-V684 HydrophobicContact CG1-CG2 4.37Å; V680-V684 WeakPolarHBondContact O-CG2 3.46Å; V680-V684 PolarHBondContact O-N 2.6Å; F681-V684 WeakPolarHBondContact O-CB 3.45Å; F681-V684 PolarHBondContact O-N 3.42Å; V684-L687 PolarHBondContact O-N 2.95Å; V684-T698 HydrophobicContact CG1-CG2 4.28Å
685L86.5Confident83.8Confident4 Ų458.4 Ų58.42%0.02128%0.275CS..Hα-helixtrans-68.2-36.4177.5-67.1173.4000112.8F681 F682 Q683 L687 S688 L695 T698 L699 I702 I724F681-L685 WeakPolarHBondContact O-CG 3.45Å; F681-L685 PolarHBondContact O-N 2.92Å; F682-L685 PolarHBondContact O-N 3.47Å; Q683-L685 VanDerWaalsContact C-N 3.27Å; Q683-L685 PolarHBondContact O-N 3.16Å; L685-L687 VanDerWaalsContact C-N 3.31Å; L685-L687 PolarHBondContact O-N 3.06Å; L685-S688 PolarHBondContact O-N 3.34Å; L685-L695 HydrophobicContact CD2-CG 4.35Å; L685-T698 HydrophobicContact CD2-CG2 4.31Å; L685-T698 HydrophobicContact CG-CG2 4.19Å; L685-L699 HydrophobicContact CD1-CD2 3.91Å; L685-L699 HydrophobicContact CD2-CD2 3.99Å; L685-L699 HydrophobicContact CD2-CG 4.16Å; L685-I702 HydrophobicContact CD1-CD1 3.68Å; L685-I724 HydrophobicContact CD1-CD1 3.84Å; L685-I724 HydrophobicContact CD1-CG1 4.07Å; L685-I724 HydrophobicContact CD1-CG2 4.3Å
686K86.5Confident83.9Confident125 Ų12557.5 Ų57.554%0.54327%0.273SS..Hα-helixtrans-66.3-32.4176.7-77.7179.9-177.3-161.80113F682 Q683 S688 D723F682-K686 WeakPolarHBondContact O-CG 3.42Å; F682-K686 PolarHBondContact O-N 2.91Å; Q683-K686 PolarHBondContact O-N 3.11Å; Q683-K686 VanDerWaalsContact O-N 3.12Å; K686-S688 PolarHBondContact O-N 3.39Å; K686-D723 WeakPolarHBondContact CE-OD2 3.3Å; K686-D723 IonicContact NZ-OD2 2.61Å; K686-D723 PolarHBondContact NZ-OD2 2.77Å
687L82.8Confident84Confident48 Ų4858.6 Ų58.625%0.25128%0.279SS..THydrogen-bonded Turntrans-70.5-6.5177-67.1173.3000113.3F571 Q683 V684 L685F571-L687 HydrophobicContact CB-CD1 4.39Å; F571-L687 HydrophobicContact CD2-CB 4.17Å; F571-L687 HydrophobicContact CD2-CD1 4.44Å; Q683-L687 WeakPolarHBondContact O-CG 3.47Å; Q683-L687 PolarHBondContact O-N 2.98Å; V684-L687 PolarHBondContact O-N 2.95Å; L685-L687 VanDerWaalsContact C-N 3.31Å; L685-L687 PolarHBondContact O-N 3.06Å
688S70.1Confident84.1Confident64 Ų6459 Ų5945%0.44828%0.281SS..  trans5175.1176.7-171.20000112.5L685 K686 E690 Y728L685-S688 PolarHBondContact O-N 3.34Å; K686-S688 PolarHBondContact O-N 3.39Å; S688-E690 PolarHBondContact O-N 3.37Å; S688-Y728 PolarHBondContact OG-OH 3.47Å
689P64.3Low84.2Confident18 Ų1859 Ų5912%0.11728%0.281CS..  trans-53.4131.4178.121.4-33.7000112.2F571 D691 L695F571-P689 HydrophobicContact CE1-CB 4.25Å; F571-P689 HydrophobicContact CE2-CB 3.67Å; F571-P689 HydrophobicContact CE2-CG 4.13Å; F571-P689 HydrophobicContact CZ-CB 3.5Å; F571-P689 HydrophobicContact CZ-CG 4.25Å; P689-D691 PolarHBondContact O-N 3.35Å; P689-L695 HydrophobicContact CG-CB 3.69Å; P689-L695 HydrophobicContact CG-CD1 3.72Å; P689-L695 HydrophobicContact CG-CG 4.23Å
690E68.5Low84.3Confident204 Ų20454.3 Ų54.395%0.95327%0.268SS*.SBendtrans-65.6-29167.9-64.4-170.6166.100111.2S688S688-E690 PolarHBondContact O-N 3.37Å
691D74.1Confident84.3Confident83 Ų8357 Ų5744%0.44428%0.278SS..  trans-88.3114.1-179.9-165.6-14.7000111.4P689 F693 H694P689-D691 PolarHBondContact O-N 3.35Å; D691-F693 PolarHBondContact O-N 2.81Å; D691-F693 WeakPolarHBondContact OD1-CB 3.47Å; D691-F693 PolarHBondContact OD1-N 2.87Å; D691-H694 IonicContact OD2-CD2 3.67Å
692E81.6Confident84.3Confident135 Ų13557 Ų5763%0.63128%0.277SS*.Hα-helixtrans-59.4-26.5176.7-70.8-165.817300112.5L695 V696 N731E692-L695 PolarHBondContact O-N 3.02Å; E692-V696 VanDerWaalsContact O-CG2 3.31Å; E692-V696 WeakPolarHBondContact O-CG2 3.4Å; E692-V696 PolarHBondContact O-N 3.03Å; E692-N731 PolarHBondContact OE2-ND2 3.08Å
693F85.8Confident84.3Confident131 Ų13156 Ų5658%0.57527%0.273SS*.Hα-helixtrans-61.1-55.6-177.8177.4-96.3000112D691 L695 V696 E697D691-F693 PolarHBondContact O-N 2.81Å; D691-F693 WeakPolarHBondContact OD1-CB 3.47Å; D691-F693 PolarHBondContact OD1-N 2.87Å; F693-L695 VanDerWaalsContact C-N 3.28Å; F693-L695 PolarHBondContact O-N 3.48Å; F693-V696 PolarHBondContact O-N 3.41Å; F693-E697 WeakPolarHBondContact CE1-OE2 3.43Å; F693-E697 PolarHBondContact O-N 3.29Å
694H83.8Confident84.2Confident48 Ų4855.5 Ų55.522%0.22227%0.273CS..Hα-helixtrans-67-30.9-177.7-71-56.4000112.6F571 I575 D691 E697 T698F571-H694 HydrophobicContact CE1-CB 4.24Å; F571-H694 HydrophobicContact CZ-CB 3.81Å; I575-H694 HydrophobicContact CD1-CB 3.97Å; D691-H694 IonicContact OD2-CD2 3.67Å; H694-E697 IonicContact ND1-OE2 3.66Å; H694-T698 WeakPolarHBondContact O-CB 3.38Å; H694-T698 PolarHBondContact O-N 2.91Å; H694-T698 PolarHBondContact O-OG1 3.1Å
695L87.7Confident84Confident15 Ų1556.2 Ų56.28%0.07928%0.276CS..Hα-helixtrans-62.3-51.2173.3-173.8131.7000111.1L685 P689 E692 F693 T698 L699 Y728L685-L695 HydrophobicContact CD2-CG 4.35Å; P689-L695 HydrophobicContact CG-CB 3.69Å; P689-L695 HydrophobicContact CG-CD1 3.72Å; P689-L695 HydrophobicContact CG-CG 4.23Å; E692-L695 PolarHBondContact O-N 3.02Å; F693-L695 VanDerWaalsContact C-N 3.28Å; F693-L695 PolarHBondContact O-N 3.48Å; L695-T698 PolarHBondContact O-N 3.3Å; L695-L699 HydrophobicContact CD2-CD1 3.65Å; L695-L699 HydrophobicContact CG-CD1 4.25Å; L695-L699 VanDerWaalsContact O-CG 3.3Å; L695-L699 WeakPolarHBondContact O-CG 3.35Å; L695-L699 PolarHBondContact O-N 3.43Å; L695-Y728 HydrophobicContact CD1-CD1 3.6Å; L695-Y728 HydrophobicContact CD1-CE1 4.03Å; L695-Y728 HydrophobicContact CD1-CG 3.91Å
696V89.6Confident84Confident36 Ų3656.2 Ų56.222%0.21828%0.276CS..Hα-helixtrans-63.8-44-179.5172.20000110.8E692 F693 T698 L699 L700 N731 V732E692-V696 VanDerWaalsContact O-CG2 3.31Å; E692-V696 WeakPolarHBondContact O-CG2 3.4Å; E692-V696 PolarHBondContact O-N 3.03Å; F693-V696 PolarHBondContact O-N 3.41Å; V696-T698 PolarHBondContact O-N 3.46Å; V696-L699 PolarHBondContact O-N 2.92Å; V696-L700 HydrophobicContact CG1-CD1 3.89Å; V696-L700 HydrophobicContact CG1-CG 4.26Å; V696-L700 VanDerWaalsContact O-CG 3.31Å; V696-L700 WeakPolarHBondContact O-CG 3.29Å; V696-L700 PolarHBondContact O-N 3.02Å; V696-N731 HydrophobicContact CG2-CB 3.69Å; V696-V732 HydrophobicContact CG1-CG1 4.11Å
697E89.7Confident83.8Confident53 Ų5350.7 Ų50.725%0.24825%0.254CS..Hα-helixtrans-59-46.9177.7-174.5177.6-169.400112F693 H694 L699 L700 R701F693-E697 WeakPolarHBondContact CE1-OE2 3.43Å; F693-E697 PolarHBondContact O-N 3.29Å; H694-E697 IonicContact ND1-OE2 3.66Å; E697-L699 PolarHBondContact O-N 3.26Å; E697-L700 PolarHBondContact O-N 2.67Å; E697-R701 WeakPolarHBondContact O-CG 3.45Å; E697-R701 PolarHBondContact O-N 3.1Å; E697-R701 IonicContact OE1-CZ 3.25Å; E697-R701 IonicContact OE1-NE 3.84Å; E697-R701 IonicContact OE1-NH2 3.03Å; E697-R701 PolarHBondContact OE1-NH2 3.12Å
698T90.5Very high83.5Confident11 Ų1149.9 Ų49.97%0.06725%0.249CC..Hα-helixtrans-60.2-45.3177.7-58.10000111.3F681 V684 L685 H694 L695 V696 L700 R701 I702F681-T698 HydrophobicContact CB-CG2 3.73Å; F681-T698 HydrophobicContact CD1-CG2 3.73Å; F681-T698 HydrophobicContact CG-CG2 3.93Å; V684-T698 HydrophobicContact CG1-CG2 4.28Å; L685-T698 HydrophobicContact CD2-CG2 4.31Å; L685-T698 HydrophobicContact CG-CG2 4.19Å; H694-T698 WeakPolarHBondContact O-CB 3.38Å; H694-T698 PolarHBondContact O-N 2.91Å; H694-T698 PolarHBondContact O-OG1 3.1Å; L695-T698 PolarHBondContact O-N 3.3Å; V696-T698 PolarHBondContact O-N 3.46Å; T698-L700 PolarHBondContact O-N 3.35Å; T698-R701 PolarHBondContact O-N 3.39Å; T698-I702 HydrophobicContact CG2-CD1 4.26Å; T698-I702 WeakPolarHBondContact O-CG1 3.32Å; T698-I702 PolarHBondContact O-N 3.23Å
699L92.3Very high83.7Confident0 Ų047.1 Ų47.10%023%0.229CC..Hα-helixtrans-65.3-39178.5-68.9171.5000112.5L685 L695 V696 E697 I702 I703 Y728 W729 V732L685-L699 HydrophobicContact CD1-CD2 3.91Å; L685-L699 HydrophobicContact CD2-CD2 3.99Å; L685-L699 HydrophobicContact CD2-CG 4.16Å; L695-L699 HydrophobicContact CD2-CD1 3.65Å; L695-L699 HydrophobicContact CG-CD1 4.25Å; L695-L699 VanDerWaalsContact O-CG 3.3Å; L695-L699 WeakPolarHBondContact O-CG 3.35Å; L695-L699 PolarHBondContact O-N 3.43Å; V696-L699 PolarHBondContact O-N 2.92Å; E697-L699 PolarHBondContact O-N 3.26Å; L699-I702 PolarHBondContact O-N 2.91Å; L699-I703 VanDerWaalsContact O-CG1 3.27Å; L699-I703 WeakPolarHBondContact O-CG1 3.49Å; L699-I703 PolarHBondContact O-N 2.86Å; L699-Y728 WeakPolarHBondContact CD1-O 3.38Å; L699-W729 HydrophobicContact CB-CZ3 4.37Å; L699-W729 HydrophobicContact CD2-CD2 4.21Å; L699-W729 HydrophobicContact CD2-CE3 3.92Å; L699-W729 HydrophobicContact CD2-CH2 3.9Å; L699-W729 HydrophobicContact CD2-CZ2 4.2Å; L699-W729 HydrophobicContact CD2-CZ3 3.74Å; L699-V732 HydrophobicContact CB-CG1 4.35Å; L699-V732 HydrophobicContact CB-CG2 4.31Å; L699-V732 HydrophobicContact CD1-CG2 4.2Å
700L92.4Very high84.3Confident68 Ų6846.8 Ų46.836%0.35623%0.225SC..Hα-helixtrans-64.5-41.6176.4-72.3174000111.5V696 E697 T698 I703 D704 V732 Q735V696-L700 HydrophobicContact CG1-CD1 3.89Å; V696-L700 HydrophobicContact CG1-CG 4.26Å; V696-L700 VanDerWaalsContact O-CG 3.31Å; V696-L700 WeakPolarHBondContact O-CG 3.29Å; V696-L700 PolarHBondContact O-N 3.02Å; E697-L700 PolarHBondContact O-N 2.67Å; T698-L700 PolarHBondContact O-N 3.35Å; L700-I703 PolarHBondContact O-N 3.3Å; L700-D704 VanDerWaalsContact O-CB 3.31Å; L700-D704 WeakPolarHBondContact O-CB 3.45Å; L700-D704 PolarHBondContact O-N 2.97Å; L700-V732 HydrophobicContact CD2-CG1 3.85Å; L700-V732 HydrophobicContact CG-CG1 4.06Å; L700-Q735 HydrophobicContact CD2-CB 4.38Å; L700-Q735 HydrophobicContact CD2-CG 3.82Å
701R88.8Confident84.7Confident65 Ų6539.7 Ų39.725%0.24520%0.196CC..Hα-helixtrans-63.6-42.1174.7-69.1-176.6-171.9-167.69.6111.9S582 F681 E697 T698 D704 L705S582-R701 PolarHBondContact OG-NH1 2.83Å; S582-R701 VanDerWaalsContact OG-NH1 3.15Å; F681-R701 HydrophobicContact CE2-CB 4.13Å; F681-R701 HydrophobicContact CZ-CB 3.91Å; E697-R701 WeakPolarHBondContact O-CG 3.45Å; E697-R701 PolarHBondContact O-N 3.1Å; E697-R701 IonicContact OE1-CZ 3.25Å; E697-R701 IonicContact OE1-NE 3.84Å; E697-R701 IonicContact OE1-NH2 3.03Å; E697-R701 PolarHBondContact OE1-NH2 3.12Å; T698-R701 PolarHBondContact O-N 3.39Å; R701-D704 PolarHBondContact O-N 2.86Å; R701-L705 WeakPolarHBondContact O-CB 3.15Å; R701-L705 WeakPolarHBondContact O-CG 3.45Å; R701-L705 PolarHBondContact O-N 3.4Å
702I90.9Very high84.6Confident1 Ų138 Ų381%0.00519%0.187CC..Hα-helixtrans-56.9-51.9172.5-73.9171.5000110.3F678 F681 F682 L685 T698 L699 D704 L706 L721 I724 W729F678-I702 HydrophobicContact CD1-CG1 4.25Å; F678-I702 HydrophobicContact CE1-CB 4.21Å; F678-I702 HydrophobicContact CE1-CG1 4.09Å; F678-I702 HydrophobicContact CE1-CG2 4.01Å; F681-I702 HydrophobicContact CB-CD1 3.94Å; F681-I702 HydrophobicContact CB-CG1 4.02Å; F681-I702 HydrophobicContact CD2-CG1 3.83Å; F681-I702 HydrophobicContact CG-CG1 4.21Å; F682-I702 HydrophobicContact CD1-CD1 4.4Å; F682-I702 HydrophobicContact CE1-CD1 4.25Å; L685-I702 HydrophobicContact CD1-CD1 3.68Å; T698-I702 HydrophobicContact CG2-CD1 4.26Å; T698-I702 WeakPolarHBondContact O-CG1 3.32Å; T698-I702 PolarHBondContact O-N 3.23Å; L699-I702 PolarHBondContact O-N 2.91Å; I702-D704 VanDerWaalsContact C-N 3.33Å; I702-D704 PolarHBondContact O-N 3.14Å; I702-L706 WeakPolarHBondContact O-CB 3.33Å; I702-L706 PolarHBondContact O-N 3.41Å; I702-L721 HydrophobicContact CG2-CD1 4.04Å; I702-I724 HydrophobicContact CD1-CD1 4.49Å; I702-W729 HydrophobicContact CG2-CH2 4.06Å
703I89.8Confident84.5Confident4 Ų431.8 Ų31.82%0.02116%0.158CC..Hα-helixtrans-60.2-44.7-178.3-71.2167.2000110.8L699 L700 L706 A707 W729 V732 L736 Y739 F751L699-I703 VanDerWaalsContact O-CG1 3.27Å; L699-I703 WeakPolarHBondContact O-CG1 3.49Å; L699-I703 PolarHBondContact O-N 2.86Å; L700-I703 PolarHBondContact O-N 3.3Å; I703-L706 PolarHBondContact O-N 2.95Å; I703-A707 VanDerWaalsContact O-CB 3.28Å; I703-A707 WeakPolarHBondContact O-CB 3.39Å; I703-A707 PolarHBondContact O-N 2.95Å; I703-W729 HydrophobicContact CD1-CE3 4.34Å; I703-W729 HydrophobicContact CD1-CZ3 3.86Å; I703-W729 HydrophobicContact CG1-CZ3 3.79Å; I703-V732 HydrophobicContact CD1-CB 4.13Å; I703-V732 HydrophobicContact CD1-CG2 4.03Å; I703-L736 HydrophobicContact CD1-CD2 3.8Å; I703-L736 HydrophobicContact CD1-CG 4.29Å; I703-L736 HydrophobicContact CG1-CD2 4.16Å; I703-Y739 HydrophobicContact CG2-CD2 3.57Å; I703-Y739 HydrophobicContact CG2-CE2 3.2Å; I703-F751 HydrophobicContact CG2-CE1 4.16Å; I703-F751 HydrophobicContact CG2-CZ 4.46Å
704D85.8Confident84.3Confident52 Ų5227 Ų2728%0.27814%0.137SC..Hα-helixtrans-66-48-177.1-173.543.1000111.9L700 R701 I702 L706 A707 K708L700-D704 VanDerWaalsContact O-CB 3.31Å; L700-D704 WeakPolarHBondContact O-CB 3.45Å; L700-D704 PolarHBondContact O-N 2.97Å; R701-D704 PolarHBondContact O-N 2.86Å; I702-D704 VanDerWaalsContact C-N 3.33Å; I702-D704 PolarHBondContact O-N 3.14Å; D704-L706 PolarHBondContact O-N 3.36Å; D704-A707 PolarHBondContact O-N 3.34Å; D704-K708 VanDerWaalsContact CG-NZ 3.34Å; D704-K708 WeakPolarHBondContact O-CB 3.47Å; D704-K708 VanDerWaalsContact O-CG 3.31Å; D704-K708 WeakPolarHBondContact O-CG 3.26Å; D704-K708 PolarHBondContact O-N 3.01Å; D704-K708 WeakPolarHBondContact OD1-CE 3.26Å; D704-K708 IonicContact OD1-NZ 3.52Å; D704-K708 PolarHBondContact OD1-NZ 3.29Å; D704-K708 WeakPolarHBondContact OD2-CE 3.48Å; D704-K708 IonicContact OD2-NZ 3.89Å; D704-K708 PolarHBondContact OD2-NZ 2.83Å
705L83.7Confident84.3Confident15 Ų1529.1 Ų29.18%0.07916%0.155CC..Hα-helixtrans-63.7-40.4175-72170.1000112.1Y674 M677 F678 F681 R701 K708 H709Y674-L705 HydrophobicContact CD1-CD2 4.08Å; Y674-L705 HydrophobicContact CE1-CD2 3.9Å; M677-L705 HydrophobicContact SD-CD1 3.68Å; F678-L705 HydrophobicContact CE2-CB 4.03Å; F678-L705 HydrophobicContact CE2-CD1 4.37Å; F678-L705 HydrophobicContact CZ-CB 3.64Å; F678-L705 HydrophobicContact CZ-CD1 4.36Å; F681-L705 HydrophobicContact CE2-CD1 3.96Å; R701-L705 WeakPolarHBondContact O-CB 3.15Å; R701-L705 WeakPolarHBondContact O-CG 3.45Å; R701-L705 PolarHBondContact O-N 3.4Å; L705-K708 PolarHBondContact O-N 3.07Å; L705-H709 PolarHBondContact O-N 3.32Å
706L85.6Confident84Confident4 Ų431.7 Ų31.72%0.02117%0.174CC..Hα-helixtrans-62.4-43.6176.8-16788.7000111I702 I703 D704 F710 F714 I717 L721 F751I702-L706 WeakPolarHBondContact O-CB 3.33Å; I702-L706 PolarHBondContact O-N 3.41Å; I703-L706 PolarHBondContact O-N 2.95Å; D704-L706 PolarHBondContact O-N 3.36Å; L706-F710 HydrophobicContact CD1-CD2 4.35Å; L706-F710 HydrophobicContact CD2-CD2 4.34Å; L706-F710 HydrophobicContact CD2-CE2 4.4Å; L706-F710 HydrophobicContact CG-CD2 3.98Å; L706-F710 HydrophobicContact CG-CE2 4.4Å; L706-F710 VanDerWaalsContact O-CA 3.28Å; L706-F710 WeakPolarHBondContact O-CA 3.41Å; L706-F710 VanDerWaalsContact O-CB 3.27Å; L706-F710 WeakPolarHBondContact O-CB 3.41Å; L706-F710 PolarHBondContact O-N 3.36Å; L706-F710 VanDerWaalsContact O-N 3.08Å; L706-F714 HydrophobicContact CD1-CD2 4.5Å; L706-I717 HydrophobicContact CD1-CD1 3.42Å; L706-I717 VanDerWaalsContact CD1-CD1 3.42Å; L706-L721 HydrophobicContact CD1-CD2 4.18Å; L706-L721 HydrophobicContact CD2-CD2 4.26Å; L706-F751 HydrophobicContact CD2-CE1 3.82Å; L706-F751 HydrophobicContact CD2-CE2 4.32Å; L706-F751 HydrophobicContact CD2-CZ 3.68Å
707A82.2Confident83.8Confident10 Ų1030.3 Ų30.38%0.08317%0.165CC..Hα-helixtrans-65.7-42.3178.100000111.7I703 D704 Y739 H742 F751I703-A707 VanDerWaalsContact O-CB 3.28Å; I703-A707 WeakPolarHBondContact O-CB 3.39Å; I703-A707 PolarHBondContact O-N 2.95Å; D704-A707 PolarHBondContact O-N 3.34Å; A707-Y739 HydrophobicContact CB-CD1 3.89Å; A707-Y739 HydrophobicContact CB-CE1 3.43Å; A707-Y739 VanDerWaalsContact CB-CE1 3.43Å; A707-H742 PolarHBondContact O-NE2 2.73Å; A707-H742 VanDerWaalsContact O-NE2 3.14Å; A707-F751 HydrophobicContact CB-CZ 4.41Å
708K76.3Confident83.7Confident31 Ų3131.8 Ų31.814%0.13517%0.173CC..Hα-helixtrans-70.4-38-179.2-72.5167.6174.7167.90113.3E634 D704 L705E634-K708 IonicContact OE1-NZ 3.6Å; E634-K708 PolarHBondContact OE1-NZ 2.94Å; E634-K708 IonicContact OE2-NZ 3.78Å; D704-K708 VanDerWaalsContact CG-NZ 3.34Å; D704-K708 WeakPolarHBondContact O-CB 3.47Å; D704-K708 VanDerWaalsContact O-CG 3.31Å; D704-K708 WeakPolarHBondContact O-CG 3.26Å; D704-K708 PolarHBondContact O-N 3.01Å; D704-K708 WeakPolarHBondContact OD1-CE 3.26Å; D704-K708 IonicContact OD1-NZ 3.52Å; D704-K708 PolarHBondContact OD1-NZ 3.29Å; D704-K708 WeakPolarHBondContact OD2-CE 3.48Å; D704-K708 IonicContact OD2-NZ 3.89Å; D704-K708 PolarHBondContact OD2-NZ 2.83Å; L705-K708 PolarHBondContact O-N 3.07Å
709H75.2Confident83.5Confident6 Ų638.8 Ų38.83%0.02821%0.208CC..Hα-helixtrans-127.426.1-167.1-59.7-48.9000114.8Y674 L705 T711 D712 I713Y674-H709 AromaticContact CE2-CD2 3.53Å; Y674-H709 AromaticContact CE2-NE2 3.65Å; Y674-H709 AromaticContact CZ-NE2 3.95Å; L705-H709 PolarHBondContact O-N 3.32Å; H709-T711 PolarHBondContact O-N 3.45Å; H709-D712 PolarHBondContact O-N 2.99Å; H709-I713 HydrophobicContact CB-CD1 3.41Å; H709-I713 VanDerWaalsContact CB-CD1 3.41Å; H709-I713 HydrophobicContact CB-CG1 3.97Å; H709-I713 PolarHBondContact O-N 3Å
710F77.1Confident83.1Confident10 Ų1039.7 Ų39.74%0.04422%0.218CC..Hα-helixtrans-47.3-52.4-172.1-169.1-91.9000115L706 D712 F714 A746 A747 E750L706-F710 HydrophobicContact CD1-CD2 4.35Å; L706-F710 HydrophobicContact CD2-CD2 4.34Å; L706-F710 HydrophobicContact CD2-CE2 4.4Å; L706-F710 HydrophobicContact CG-CD2 3.98Å; L706-F710 HydrophobicContact CG-CE2 4.4Å; L706-F710 VanDerWaalsContact O-CA 3.28Å; L706-F710 WeakPolarHBondContact O-CA 3.41Å; L706-F710 VanDerWaalsContact O-CB 3.27Å; L706-F710 WeakPolarHBondContact O-CB 3.41Å; L706-F710 PolarHBondContact O-N 3.36Å; L706-F710 VanDerWaalsContact O-N 3.08Å; F710-D712 VanDerWaalsContact C-N 3.26Å; F710-D712 PolarHBondContact O-N 3.46Å; F710-F714 HydrophobicContact CD1-CB 4.3Å; F710-F714 HydrophobicContact CD2-CB 4.4Å; F710-F714 HydrophobicContact CD2-CD2 4.43Å; F710-F714 HydrophobicContact CE1-CB 4.09Å; F710-F714 AromaticContact CE1-CD1 3.98Å; F710-F714 HydrophobicContact CE1-CD1 3.98Å; F710-F714 HydrophobicContact CE1-CD2 4.5Å; F710-F714 AromaticContact CE1-CG 3.93Å; F710-F714 HydrophobicContact CE1-CG 3.93Å; F710-F714 HydrophobicContact CE2-CB 4.18Å; F710-F714 HydrophobicContact CE2-CD1 4.47Å; F710-F714 AromaticContact CE2-CD2 3.6Å; F710-F714 HydrophobicContact CE2-CD2 3.6Å; F710-F714 HydrophobicContact CE2-CE2 4.07Å; F710-F714 AromaticContact CE2-CG 3.83Å; F710-F714 HydrophobicContact CE2-CG 3.83Å; F710-F714 HydrophobicContact CG-CB 4.45Å; F710-F714 HydrophobicContact CZ-CB 4.02Å; F710-F714 AromaticContact CZ-CD1 3.71Å; F710-F714 HydrophobicContact CZ-CD1 3.71Å; F710-F714 AromaticContact CZ-CD2 3.64Å; F710-F714 HydrophobicContact CZ-CD2 3.64Å; F710-F714 HydrophobicContact CZ-CE1 4.01Å; F710-F714 AromaticContact CZ-CE2 3.98Å; F710-F714 HydrophobicContact CZ-CE2 3.98Å; F710-F714 AromaticContact CZ-CG 3.49Å; F710-F714 HydrophobicContact CZ-CG 3.49Å; F710-F714 VanDerWaalsContact CZ-CG 3.49Å; F710-F714 HydrophobicContact CZ-CZ 4.13Å; F710-F714 WeakPolarHBondContact O-CB 3.41Å; F710-F714 PolarHBondContact O-N 3.26Å; F710-A746 HydrophobicContact CD1-CB 4.35Å; F710-A746 HydrophobicContact CE1-CB 3.6Å; F710-A746 HydrophobicContact CZ-CB 4.35Å; F710-A747 HydrophobicContact CB-CB 4.07Å; F710-A747 HydrophobicContact CD1-CB 3.85Å; F710-A747 HydrophobicContact CD2-CB 3.45Å; F710-A747 VanDerWaalsContact CD2-CB 3.45Å; F710-A747 HydrophobicContact CE1-CB 4.17Å; F710-A747 VanDerWaalsContact CE2-CA 3.44Å; F710-A747 HydrophobicContact CE2-CB 3.82Å; F710-A747 HydrophobicContact CG-CB 3.48Å; F710-A747 VanDerWaalsContact CG-CB 3.48Å; F710-A747 VanDerWaalsContact CZ-CA 3.48Å; F710-A747 HydrophobicContact CZ-CB 4.16Å; F710-E750 HydrophobicContact CE2-CB 3.99Å; F710-E750 HydrophobicContact CE2-CG 4.47Å; F710-E750 HydrophobicContact CZ-CB 4.08Å
711T74.9Confident82.9Confident56 Ų5636.7 Ų36.734%0.34420%0.203SC..Hα-helixtrans-59.6-35.9-168.245.30000113.9H709 N744H709-T711 PolarHBondContact O-N 3.45Å; T711-N744 VanDerWaalsContact CG2-ND2 3.32Å; T711-N744 WeakPolarHBondContact CG2-ND2 3.17Å
712D72.7Confident82.8Confident48 Ų4836.7 Ų36.726%0.25721%0.205SC..Hα-helixtrans-99.4-33.7-167.4-62.123.3000111.2R632 L671 H709 F710R632-D712 IonicContact CZ-OD2 2.84Å; R632-D712 IonicContact NH1-OD2 3.85Å; R632-D712 PolarHBondContact NH1-OD2 3.39Å; R632-D712 IonicContact NH2-OD1 3.3Å; R632-D712 IonicContact NH2-OD2 3.92Å; R632-D712 PolarHBondContact NH2-OD2 3.34Å; L671-D712 HydrophobicContact CD1-CB 4.18Å; L671-D712 HydrophobicContact CD2-CB 3.9Å; H709-D712 PolarHBondContact O-N 2.99Å; F710-D712 VanDerWaalsContact C-N 3.26Å; F710-D712 PolarHBondContact O-N 3.46Å
713I79.6Confident82.7Confident3 Ų341.4 Ų41.42%0.01523%0.23CC..Hα-helixtrans-87.5-35.1-177-57-179.1000111.1L671 Y674 F678 H709 P715 S716 I717L671-I713 HydrophobicContact CD2-CD1 4.2Å; L671-I713 HydrophobicContact CD2-CG1 3.58Å; Y674-I713 HydrophobicContact CD2-CD1 3.73Å; Y674-I713 HydrophobicContact CG-CD1 4.08Å; F678-I713 HydrophobicContact CD2-CG2 3.92Å; F678-I713 HydrophobicContact CE2-CD1 4.24Å; F678-I713 HydrophobicContact CE2-CG2 3.77Å; H709-I713 HydrophobicContact CB-CD1 3.41Å; H709-I713 VanDerWaalsContact CB-CD1 3.41Å; H709-I713 HydrophobicContact CB-CG1 3.97Å; H709-I713 PolarHBondContact O-N 3Å; I713-P715 VanDerWaalsContact C-N 3.35Å; I713-S716 WeakPolarHBondContact O-CB 3.46Å; I713-S716 PolarHBondContact O-N 2.86Å; I713-I717 HydrophobicContact CG2-CB 4.49Å; I713-I717 HydrophobicContact CG2-CD1 3.69Å; I713-I717 HydrophobicContact CG2-CG1 4.02Å; I713-I717 HydrophobicContact CG2-CG2 3.7Å; I713-I717 WeakPolarHBondContact O-CG1 3.34Å; I713-I717 PolarHBondContact O-N 2.97Å
714F82.6Confident82.6Confident32 Ų3242 Ų4214%0.1423%0.234CC..Hα-helixtrans-50.7-43.5-172.4-176.7-110.8000114.5L706 F710 S716 I717 Q718 L721 E750L706-F714 HydrophobicContact CD1-CD2 4.5Å; F710-F714 HydrophobicContact CD1-CB 4.3Å; F710-F714 HydrophobicContact CD2-CB 4.4Å; F710-F714 HydrophobicContact CD2-CD2 4.43Å; F710-F714 HydrophobicContact CE1-CB 4.09Å; F710-F714 AromaticContact CE1-CD1 3.98Å; F710-F714 HydrophobicContact CE1-CD1 3.98Å; F710-F714 HydrophobicContact CE1-CD2 4.5Å; F710-F714 AromaticContact CE1-CG 3.93Å; F710-F714 HydrophobicContact CE1-CG 3.93Å; F710-F714 HydrophobicContact CE2-CB 4.18Å; F710-F714 HydrophobicContact CE2-CD1 4.47Å; F710-F714 AromaticContact CE2-CD2 3.6Å; F710-F714 HydrophobicContact CE2-CD2 3.6Å; F710-F714 HydrophobicContact CE2-CE2 4.07Å; F710-F714 AromaticContact CE2-CG 3.83Å; F710-F714 HydrophobicContact CE2-CG 3.83Å; F710-F714 HydrophobicContact CG-CB 4.45Å; F710-F714 HydrophobicContact CZ-CB 4.02Å; F710-F714 AromaticContact CZ-CD1 3.71Å; F710-F714 HydrophobicContact CZ-CD1 3.71Å; F710-F714 AromaticContact CZ-CD2 3.64Å; F710-F714 HydrophobicContact CZ-CD2 3.64Å; F710-F714 HydrophobicContact CZ-CE1 4.01Å; F710-F714 AromaticContact CZ-CE2 3.98Å; F710-F714 HydrophobicContact CZ-CE2 3.98Å; F710-F714 AromaticContact CZ-CG 3.49Å; F710-F714 HydrophobicContact CZ-CG 3.49Å; F710-F714 VanDerWaalsContact CZ-CG 3.49Å; F710-F714 HydrophobicContact CZ-CZ 4.13Å; F710-F714 WeakPolarHBondContact O-CB 3.41Å; F710-F714 PolarHBondContact O-N 3.26Å; F714-S716 PolarHBondContact O-N 3.47Å; F714-I717 PolarHBondContact O-N 2.75Å; F714-I717 VanDerWaalsContact O-N 3.17Å; F714-Q718 HydrophobicContact CE1-CB 4.45Å; F714-Q718 HydrophobicContact CE1-CG 4.24Å; F714-Q718 HydrophobicContact CE2-CB 4.22Å; F714-Q718 HydrophobicContact CE2-CG 4.23Å; F714-Q718 HydrophobicContact CZ-CB 4.16Å; F714-Q718 HydrophobicContact CZ-CG 3.8Å; F714-Q718 WeakPolarHBondContact O-CB 3.43Å; F714-Q718 PolarHBondContact O-N 3.19Å; F714-L721 HydrophobicContact CE2-CD2 4.25Å; F714-E750 HydrophobicContact CE2-CB 4.38Å; F714-E750 HydrophobicContact CE2-CG 3.6Å; F714-E750 HydrophobicContact CZ-CB 4.48Å; F714-E750 HydrophobicContact CZ-CG 3.91Å; F714-E750 WeakPolarHBondContact CZ-OE2 3.37Å
715P83.6Confident82.6Confident91 Ų9142.7 Ų42.759%0.59124%0.237SC*.Hα-helixtrans-57.1-35.5178.2-23.434000113.5I713I713-P715 VanDerWaalsContact C-N 3.35Å
716S80.5Confident82.7Confident69 Ų6943.3 Ų43.348%0.48324%0.242SC..Hα-helixtrans-79.8-27.3-178.2-54.40000113E675 I713 F714E675-S716 WeakPolarHBondContact OE1-CB 3.48Å; E675-S716 PolarHBondContact OE1-OG 3.29Å; I713-S716 WeakPolarHBondContact O-CB 3.46Å; I713-S716 PolarHBondContact O-N 2.86Å; F714-S716 PolarHBondContact O-N 3.47Å
717I86.3Confident82.7Confident7 Ų749.3 Ų49.34%0.03627%0.268CS..Hα-helixtrans-108.6-9.1-172.864.5171.6000114.4F678 F682 L706 I713 F714 L719 G720 L721F678-I717 HydrophobicContact CB-CG2 3.79Å; F678-I717 HydrophobicContact CD1-CD1 4.23Å; F678-I717 HydrophobicContact CD1-CG2 4.47Å; F678-I717 HydrophobicContact CD2-CD1 4.35Å; F678-I717 HydrophobicContact CD2-CG2 3.93Å; F678-I717 HydrophobicContact CE1-CD1 3.99Å; F678-I717 HydrophobicContact CE2-CD1 4.16Å; F678-I717 HydrophobicContact CG-CD1 4.41Å; F678-I717 HydrophobicContact CG-CG2 3.82Å; F678-I717 HydrophobicContact CZ-CD1 3.96Å; F682-I717 HydrophobicContact CE2-CB 4.23Å; F682-I717 HydrophobicContact CE2-CG2 4.49Å; F682-I717 HydrophobicContact CZ-CB 4.2Å; L706-I717 HydrophobicContact CD1-CD1 3.42Å; L706-I717 VanDerWaalsContact CD1-CD1 3.42Å; I713-I717 HydrophobicContact CG2-CB 4.49Å; I713-I717 HydrophobicContact CG2-CD1 3.69Å; I713-I717 HydrophobicContact CG2-CG1 4.02Å; I713-I717 HydrophobicContact CG2-CG2 3.7Å; I713-I717 WeakPolarHBondContact O-CG1 3.34Å; I713-I717 PolarHBondContact O-N 2.97Å; F714-I717 PolarHBondContact O-N 2.75Å; F714-I717 VanDerWaalsContact O-N 3.17Å; I717-L719 VanDerWaalsContact C-N 3.3Å; I717-L719 PolarHBondContact O-N 2.76Å; I717-G720 PolarHBondContact O-N 2.98Å; I717-L721 PolarHBondContact O-N 2.65Å
718Q87.8Confident82.9Confident85 Ų8551.1 Ų51.140%0.39727%0.273SS..Hα-helixtrans-49.9-48.9-174-179.9-179.6-4.700112.5F714 G720 L721 H722F714-Q718 HydrophobicContact CE1-CB 4.45Å; F714-Q718 HydrophobicContact CE1-CG 4.24Å; F714-Q718 HydrophobicContact CE2-CB 4.22Å; F714-Q718 HydrophobicContact CE2-CG 4.23Å; F714-Q718 HydrophobicContact CZ-CB 4.16Å; F714-Q718 HydrophobicContact CZ-CG 3.8Å; F714-Q718 WeakPolarHBondContact O-CB 3.43Å; F714-Q718 PolarHBondContact O-N 3.19Å; Q718-G720 PolarHBondContact O-N 2.78Å; Q718-L721 PolarHBondContact O-N 2.96Å; Q718-H722 WeakPolarHBondContact O-CB 3.43Å; Q718-H722 PolarHBondContact O-CD2 3.18Å; Q718-H722 PolarHBondContact O-N 3.02Å; Q718-H722 VanDerWaalsContact O-N 3.07Å
719L85.7Confident83.6Confident157 Ų15749.9 Ų49.982%0.82227%0.267SS*.Hα-helixtrans-61.1-43.7179.7-72.9167000112.1I717 H722 D723I717-L719 VanDerWaalsContact C-N 3.3Å; I717-L719 PolarHBondContact O-N 2.76Å; L719-H722 PolarHBondContact O-N 2.98Å; L719-D723 PolarHBondContact O-N 3.45Å
720G84.6Confident84.1Confident20 Ų2052.9 Ų52.921%0.20628%0.28CS..Hα-helixtrans-68.7-38.7179.300000112.8I717 Q718 H722 D723I717-G720 PolarHBondContact O-N 2.98Å; Q718-G720 PolarHBondContact O-N 2.78Å; G720-H722 VanDerWaalsContact C-N 3.29Å; G720-H722 PolarHBondContact O-N 2.95Å; G720-D723 PolarHBondContact O-N 3.15Å
721L87.5Confident84.6Confident5 Ų555.4 Ų55.43%0.02629%0.294CS..Hα-helixtrans-64.2-36.2176.8-168.373.7000111.7F682 I702 L706 F714 I717 Q718 D723 I724 W729 E750 I754F682-L721 HydrophobicContact CZ-CB 4.49Å; I702-L721 HydrophobicContact CG2-CD1 4.04Å; L706-L721 HydrophobicContact CD1-CD2 4.18Å; L706-L721 HydrophobicContact CD2-CD2 4.26Å; F714-L721 HydrophobicContact CE2-CD2 4.25Å; I717-L721 PolarHBondContact O-N 2.65Å; Q718-L721 PolarHBondContact O-N 2.96Å; L721-D723 VanDerWaalsContact C-N 3.34Å; L721-I724 HydrophobicContact CD1-CD1 4.08Å; L721-W729 HydrophobicContact CD1-CH2 4.28Å; L721-W729 HydrophobicContact CD1-CZ2 4.2Å; L721-E750 HydrophobicContact CD2-CG 4Å; L721-I754 HydrophobicContact CD2-CD1 4.26Å; L721-I754 HydrophobicContact CG-CD1 4.48Å
722H87.4Confident85.4Confident64 Ų6452.8 Ų52.830%0.29628%0.278SS..Hα-helixtrans-76.1-22-179.9-68.1-166.5000113.5Q718 L719 G720 I724 E750 R753Q718-H722 WeakPolarHBondContact O-CB 3.43Å; Q718-H722 PolarHBondContact O-CD2 3.18Å; Q718-H722 PolarHBondContact O-N 3.02Å; Q718-H722 VanDerWaalsContact O-N 3.07Å; L719-H722 PolarHBondContact O-N 2.98Å; G720-H722 VanDerWaalsContact C-N 3.29Å; G720-H722 PolarHBondContact O-N 2.95Å; H722-I724 VanDerWaalsContact C-N 3.32Å; H722-E750 IonicContact CD2-OE1 3.64Å; H722-E750 PolarHBondContact CD2-OE1 2.79Å; H722-E750 VanDerWaalsContact CD2-OE1 3.31Å; H722-E750 IonicContact CE1-OE1 3.44Å; H722-E750 IonicContact NE2-OE1 3.89Å; H722-E750 PolarHBondContact NE2-OE1 3.47Å; H722-E750 IonicContact NE2-OE2 3.38Å; H722-R753 PolarHBondContact CD2-NH2 3.37Å; H722-R753 PolarHBondContact CE1-NE 3.28Å; H722-R753 PolarHBondContact ND1-NH2 3.16Å; H722-R753 PolarHBondContact NE2-NE 3.38Å; H722-R753 PolarHBondContact NE2-NH2 3.02Å
723D88.7Confident86.3Confident101 Ų10150.9 Ų50.954%0.5427%0.268SS..THydrogen-bonded Turntrans-80.6-11.7177.9-164.939.9000112.7K686 L719 G720 L721 N725K686-D723 WeakPolarHBondContact CE-OD2 3.3Å; K686-D723 IonicContact NZ-OD2 2.61Å; K686-D723 PolarHBondContact NZ-OD2 2.77Å; L719-D723 PolarHBondContact O-N 3.45Å; G720-D723 PolarHBondContact O-N 3.15Å; L721-D723 VanDerWaalsContact C-N 3.34Å; D723-N725 PolarHBondContact O-N 3.44Å
724I87.1Confident86.7Confident17 Ų1754.8 Ų54.89%0.08729%0.294CS..SBendtrans-67129.3-179.3-63.1169.7000110.2F682 L685 I702 L721 H722 P726 Y728 W729F682-I724 HydrophobicContact CD1-CD1 3.99Å; F682-I724 HydrophobicContact CD1-CG1 4.31Å; F682-I724 HydrophobicContact CE1-CD1 3.82Å; F682-I724 HydrophobicContact CE1-CG1 4.5Å; L685-I724 HydrophobicContact CD1-CD1 3.84Å; L685-I724 HydrophobicContact CD1-CG1 4.07Å; L685-I724 HydrophobicContact CD1-CG2 4.3Å; I702-I724 HydrophobicContact CD1-CD1 4.49Å; L721-I724 HydrophobicContact CD1-CD1 4.08Å; H722-I724 VanDerWaalsContact C-N 3.32Å; I724-P726 WeakPolarHBondContact O-CD 3.38Å; I724-Y728 HydrophobicContact CG2-CD2 4.21Å; I724-W729 HydrophobicContact CB-CZ2 4.4Å; I724-W729 HydrophobicContact CD1-CH2 4.33Å; I724-W729 HydrophobicContact CD1-CZ2 3.64Å; I724-W729 HydrophobicContact CG2-CZ2 4.13Å
725N86Confident87.1Confident66 Ų6656.7 Ų56.735%0.35330%0.303SS..  trans-57.5123.2175.6-170-32.9000110.6D723 K727 Y728D723-N725 PolarHBondContact O-N 3.44Å; N725-K727 PolarHBondContact O-N 3.49Å; N725-K727 WeakPolarHBondContact OD1-CB 3.45Å; N725-K727 WeakPolarHBondContact OD1-CG 3.47Å; N725-K727 PolarHBondContact OD1-N 3.27Å; N725-K727 VanDerWaalsContact OD1-N 3.08Å; N725-Y728 HydrophobicContact CB-CD2 3.74Å; N725-Y728 HydrophobicContact CB-CE2 3.63Å; N725-Y728 HydrophobicContact CB-CG 4.32Å; N725-Y728 PolarHBondContact O-N 2.87Å; N725-Y728 VanDerWaalsContact O-N 3.09Å
726P85.2Confident87.5Confident27 Ų2752.3 Ų52.318%0.17528%0.275CS..G310 helixtrans-52.2-32.2-179.1-29.936.3000113.7I724 Y728 W729 L758 S761I724-P726 WeakPolarHBondContact O-CD 3.38Å; P726-Y728 PolarHBondContact O-N 2.84Å; P726-W729 PolarHBondContact O-N 2.88Å; P726-L758 WeakPolarHBondContact O-CD2 3.42Å; P726-S761 VanDerWaalsContact CB-OG 3.31Å; P726-S761 WeakPolarHBondContact CB-OG 3.4Å; P726-S761 WeakPolarHBondContact CG-OG 3.42Å
727K85.1Confident87.9Confident130 Ų13049.2 Ų49.257%0.56525%0.252SS*.G310 helixtrans-59.6-31.4-178.1-63.4-177.8180178.20113.5N725 W729 K730 M762N725-K727 PolarHBondContact O-N 3.49Å; N725-K727 WeakPolarHBondContact OD1-CB 3.45Å; N725-K727 WeakPolarHBondContact OD1-CG 3.47Å; N725-K727 PolarHBondContact OD1-N 3.27Å; N725-K727 VanDerWaalsContact OD1-N 3.08Å; K727-W729 VanDerWaalsContact C-N 3.26Å; K727-W729 PolarHBondContact O-N 2.97Å; K727-K730 WeakPolarHBondContact O-CB 3.3Å; K727-K730 PolarHBondContact O-N 2.77Å; K727-M762 HydrophobicContact CB-SD 4.17Å; K727-M762 HydrophobicContact CG-SD 3.79Å
728Y87.7Confident87.9Confident48 Ų4851.5 Ų51.519%0.18827%0.272CS..G310 helixtrans-68.1-28.8-176.9-60.5-31.3000112.4S688 L695 L699 I724 N725 P726 K730S688-Y728 PolarHBondContact OG-OH 3.47Å; L695-Y728 HydrophobicContact CD1-CD1 3.6Å; L695-Y728 HydrophobicContact CD1-CE1 4.03Å; L695-Y728 HydrophobicContact CD1-CG 3.91Å; L699-Y728 WeakPolarHBondContact CD1-O 3.38Å; I724-Y728 HydrophobicContact CG2-CD2 4.21Å; N725-Y728 HydrophobicContact CB-CD2 3.74Å; N725-Y728 HydrophobicContact CB-CE2 3.63Å; N725-Y728 HydrophobicContact CB-CG 4.32Å; N725-Y728 PolarHBondContact O-N 2.87Å; N725-Y728 VanDerWaalsContact O-N 3.09Å; P726-Y728 PolarHBondContact O-N 2.84Å; Y728-K730 PolarHBondContact O-N 3.16Å; Y728-K730 VanDerWaalsContact O-N 3.15Å
729W90.2Very high87.7Confident5 Ų550.6 Ų50.62%0.01927%0.266CS..G310 helixtrans-71.3-7.9179.9-61.3105.5000114.3L699 I702 I703 L721 I724 P726 K727 N731 V732 I733 L736 I754 L758L699-W729 HydrophobicContact CB-CZ3 4.37Å; L699-W729 HydrophobicContact CD2-CD2 4.21Å; L699-W729 HydrophobicContact CD2-CE3 3.92Å; L699-W729 HydrophobicContact CD2-CH2 3.9Å; L699-W729 HydrophobicContact CD2-CZ2 4.2Å; L699-W729 HydrophobicContact CD2-CZ3 3.74Å; I702-W729 HydrophobicContact CG2-CH2 4.06Å; I703-W729 HydrophobicContact CD1-CE3 4.34Å; I703-W729 HydrophobicContact CD1-CZ3 3.86Å; I703-W729 HydrophobicContact CG1-CZ3 3.79Å; L721-W729 HydrophobicContact CD1-CH2 4.28Å; L721-W729 HydrophobicContact CD1-CZ2 4.2Å; I724-W729 HydrophobicContact CB-CZ2 4.4Å; I724-W729 HydrophobicContact CD1-CH2 4.33Å; I724-W729 HydrophobicContact CD1-CZ2 3.64Å; I724-W729 HydrophobicContact CG2-CZ2 4.13Å; P726-W729 PolarHBondContact O-N 2.88Å; K727-W729 VanDerWaalsContact C-N 3.26Å; K727-W729 PolarHBondContact O-N 2.97Å; W729-N731 VanDerWaalsContact C-N 3.35Å; W729-N731 PolarHBondContact O-N 3.15Å; W729-V732 HydrophobicContact CB-CG2 4.43Å; W729-V732 HydrophobicContact CE3-CG2 3.72Å; W729-V732 HydrophobicContact CZ3-CG2 4.46Å; W729-V732 VanDerWaalsContact O-CG2 3.26Å; W729-V732 WeakPolarHBondContact O-CG2 3.42Å; W729-V732 PolarHBondContact O-N 3.2Å; W729-V732 VanDerWaalsContact O-N 3.1Å; W729-I733 PolarHBondContact O-N 3.28Å; W729-L736 HydrophobicContact CB-CD1 4.1Å; W729-L736 HydrophobicContact CD2-CD1 4.49Å; W729-L736 HydrophobicContact CE3-CD1 4.16Å; W729-L736 HydrophobicContact CE3-CD2 4.17Å; W729-L736 HydrophobicContact CZ3-CD2 4.31Å; W729-I754 HydrophobicContact CD2-CG2 3.94Å; W729-I754 HydrophobicContact CG-CG2 3.98Å; W729-I754 HydrophobicContact CZ2-CD1 4.34Å; W729-L758 HydrophobicContact CB-CD1 3.6Å; W729-L758 HydrophobicContact CB-CD2 4Å; W729-L758 HydrophobicContact CB-CG 3.97Å; W729-L758 HydrophobicContact CG-CD1 4.46Å
730K86.9Confident87.6Confident70 Ų7043.1 Ų43.130%0.30423%0.226SC..G310 helixtrans-52.4-47.5-174.1-172.4-160.6177.2-158.30113.2K727 Y728 V732 I733 M762K727-K730 WeakPolarHBondContact O-CB 3.3Å; K727-K730 PolarHBondContact O-N 2.77Å; Y728-K730 PolarHBondContact O-N 3.16Å; Y728-K730 VanDerWaalsContact O-N 3.15Å; K730-V732 PolarHBondContact O-N 3.15Å; K730-I733 WeakPolarHBondContact O-CD1 3.48Å; K730-I733 VanDerWaalsContact O-CG1 3.28Å; K730-I733 WeakPolarHBondContact O-CG1 3.34Å; K730-I733 PolarHBondContact O-N 3.3Å; K730-M762 HydrophobicContact CD-CE 3.93Å; K730-M762 HydrophobicContact CG-CE 4.11Å
731N86.7Confident87.3Confident63 Ų6346 Ų4634%0.33724%0.237SC..G310 helixtrans-76.5-12.3-174.3-69.6-6.7000113.1E692 V696 W729E692-N731 PolarHBondContact OE2-ND2 3.08Å; V696-N731 HydrophobicContact CG2-CB 3.69Å; W729-N731 VanDerWaalsContact C-N 3.35Å; W729-N731 PolarHBondContact O-N 3.15Å
732V91.4Very high86.9Confident0 Ų047.1 Ų47.10%024%0.242CC..G310 helixtrans-112.413.3-179.9-64.20000113.2V696 L699 L700 I703 W729 K730 P734 Q735 L736V696-V732 HydrophobicContact CG1-CG1 4.11Å; L699-V732 HydrophobicContact CB-CG1 4.35Å; L699-V732 HydrophobicContact CB-CG2 4.31Å; L699-V732 HydrophobicContact CD1-CG2 4.2Å; L700-V732 HydrophobicContact CD2-CG1 3.85Å; L700-V732 HydrophobicContact CG-CG1 4.06Å; I703-V732 HydrophobicContact CD1-CB 4.13Å; I703-V732 HydrophobicContact CD1-CG2 4.03Å; W729-V732 HydrophobicContact CB-CG2 4.43Å; W729-V732 HydrophobicContact CE3-CG2 3.72Å; W729-V732 HydrophobicContact CZ3-CG2 4.46Å; W729-V732 VanDerWaalsContact O-CG2 3.26Å; W729-V732 WeakPolarHBondContact O-CG2 3.42Å; W729-V732 PolarHBondContact O-N 3.2Å; W729-V732 VanDerWaalsContact O-N 3.1Å; K730-V732 PolarHBondContact O-N 3.15Å; V732-P734 VanDerWaalsContact C-CD 3.49Å; V732-Q735 VanDerWaalsContact C-OE1 3.29Å; V732-Q735 VanDerWaalsContact CA-OE1 3.25Å; V732-Q735 WeakPolarHBondContact O-CB 3.34Å; V732-Q735 PolarHBondContact O-N 2.99Å; V732-Q735 VanDerWaalsContact O-N 3.1Å; V732-Q735 PolarHBondContact O-OE1 3.26Å; V732-L736 PolarHBondContact O-N 2.77Å
733I91.1Very high86.3Confident8 Ų849.3 Ų49.34%0.04126%0.262CS..Hα-helixtrans-51.3-47.2176.4-74171.9000112.2W729 K730 Q735 L736 F737 L758 V766 P769W729-I733 PolarHBondContact O-N 3.28Å; K730-I733 WeakPolarHBondContact O-CD1 3.48Å; K730-I733 VanDerWaalsContact O-CG1 3.28Å; K730-I733 WeakPolarHBondContact O-CG1 3.34Å; K730-I733 PolarHBondContact O-N 3.3Å; I733-Q735 VanDerWaalsContact C-N 3.26Å; I733-Q735 PolarHBondContact O-N 3Å; I733-L736 PolarHBondContact O-N 3.28Å; I733-F737 HydrophobicContact CG2-CD2 3.49Å; I733-F737 VanDerWaalsContact CG2-CD2 3.49Å; I733-F737 HydrophobicContact CG2-CE2 3.5Å; I733-F737 WeakPolarHBondContact O-CB 3.31Å; I733-F737 VanDerWaalsContact O-CD2 3.28Å; I733-F737 WeakPolarHBondContact O-CD2 3.12Å; I733-F737 PolarHBondContact O-N 3.48Å; I733-L758 HydrophobicContact CG1-CD1 4.08Å; I733-V766 HydrophobicContact CD1-CG2 4.06Å; I733-P769 HydrophobicContact CG2-CG 4.33Å
734P89.4Confident85.8Confident86 Ų8646.6 Ų46.656%0.55825%0.248SC*.Hα-helixtrans-57.6-38.1178.6-25.234.9000113.4V732 F737 A738V732-P734 VanDerWaalsContact C-CD 3.49Å; P734-F737 WeakPolarHBondContact O-CB 3.49Å; P734-F737 PolarHBondContact O-N 2.7Å; P734-A738 PolarHBondContact O-N 3.42Å; P734-A738 VanDerWaalsContact O-N 3.09Å
735Q90.7Very high85.4Confident71 Ų7153 Ų5333%0.33228%0.275SS..Hα-helixtrans-71.1-44.7179.9-66.578.7-3.600110.8L700 V732 I733 F737 A738 Y739L700-Q735 HydrophobicContact CD2-CB 4.38Å; L700-Q735 HydrophobicContact CD2-CG 3.82Å; V732-Q735 VanDerWaalsContact C-OE1 3.29Å; V732-Q735 VanDerWaalsContact CA-OE1 3.25Å; V732-Q735 WeakPolarHBondContact O-CB 3.34Å; V732-Q735 PolarHBondContact O-N 2.99Å; V732-Q735 VanDerWaalsContact O-N 3.1Å; V732-Q735 PolarHBondContact O-OE1 3.26Å; I733-Q735 VanDerWaalsContact C-N 3.26Å; I733-Q735 PolarHBondContact O-N 3Å; Q735-F737 PolarHBondContact O-N 3.47Å; Q735-A738 VanDerWaalsContact O-CB 3.27Å; Q735-A738 WeakPolarHBondContact O-CB 3.26Å; Q735-A738 PolarHBondContact O-N 3.28Å; Q735-Y739 WeakPolarHBondContact O-CD2 3.33Å; Q735-Y739 PolarHBondContact O-N 2.83Å
736L91.4Very high85.3Confident0 Ų052.5 Ų52.50%028%0.28CS..Hα-helixtrans-55.8-43.6172.6-67.1174.8000111.3I703 W729 V732 I733 A738 Y739 F751 I754 L755 L758I703-L736 HydrophobicContact CD1-CD2 3.8Å; I703-L736 HydrophobicContact CD1-CG 4.29Å; I703-L736 HydrophobicContact CG1-CD2 4.16Å; W729-L736 HydrophobicContact CB-CD1 4.1Å; W729-L736 HydrophobicContact CD2-CD1 4.49Å; W729-L736 HydrophobicContact CE3-CD1 4.16Å; W729-L736 HydrophobicContact CE3-CD2 4.17Å; W729-L736 HydrophobicContact CZ3-CD2 4.31Å; V732-L736 PolarHBondContact O-N 2.77Å; I733-L736 PolarHBondContact O-N 3.28Å; L736-A738 VanDerWaalsContact C-N 3.26Å; L736-A738 PolarHBondContact O-N 3Å; L736-Y739 PolarHBondContact O-N 3.14Å; L736-F751 HydrophobicContact CD2-CD1 3.89Å; L736-F751 HydrophobicContact CD2-CE1 4.31Å; L736-I754 HydrophobicContact CD1-CG2 3.94Å; L736-I754 HydrophobicContact CD2-CG2 4.4Å; L736-L755 HydrophobicContact CB-CD1 4.46Å; L736-L755 HydrophobicContact CB-CD2 3.94Å; L736-L755 HydrophobicContact CB-CG 4.21Å; L736-L755 HydrophobicContact CD1-CD2 4.14Å; L736-L758 HydrophobicContact CD1-CD1 3.84Å
737F88.5Confident85.2Confident3 Ų351.2 Ų51.21%0.01327%0.272CS..Hα-helixtrans-65.4-24.5176-92.8-58.4000113.8I733 P734 Q735 L740 L755 V766 P769 T770 R773I733-F737 HydrophobicContact CG2-CD2 3.49Å; I733-F737 VanDerWaalsContact CG2-CD2 3.49Å; I733-F737 HydrophobicContact CG2-CE2 3.5Å; I733-F737 WeakPolarHBondContact O-CB 3.31Å; I733-F737 VanDerWaalsContact O-CD2 3.28Å; I733-F737 WeakPolarHBondContact O-CD2 3.12Å; I733-F737 PolarHBondContact O-N 3.48Å; P734-F737 WeakPolarHBondContact O-CB 3.49Å; P734-F737 PolarHBondContact O-N 2.7Å; Q735-F737 PolarHBondContact O-N 3.47Å; F737-L740 HydrophobicContact CD1-CD1 3.62Å; F737-L740 HydrophobicContact CD1-CG 4.44Å; F737-L740 HydrophobicContact CE1-CD1 4.05Å; F737-L755 HydrophobicContact CD1-CD1 4.02Å; F737-L755 HydrophobicContact CD2-CD2 4.21Å; F737-L755 HydrophobicContact CE1-CD1 4.04Å; F737-L755 HydrophobicContact CE2-CD2 3.95Å; F737-L755 HydrophobicContact CG-CD1 4.39Å; F737-L755 HydrophobicContact CZ-CD1 4.37Å; F737-L755 HydrophobicContact CZ-CD2 4.18Å; F737-V766 HydrophobicContact CE2-CG1 4.17Å; F737-V766 HydrophobicContact CZ-CG1 3.91Å; F737-P769 HydrophobicContact CD2-CB 3.87Å; F737-P769 HydrophobicContact CE2-CB 3.4Å; F737-P769 HydrophobicContact CE2-CG 4.27Å; F737-P769 HydrophobicContact CZ-CB 3.93Å; F737-T770 WeakPolarHBondContact CZ-OG1 3.2Å; F737-R773 PolarHBondContact O-NH1 3.34Å; F737-R773 PolarHBondContact O-NH2 3.39Å
738A87Confident85.2Confident55 Ų5545.9 Ų45.946%0.45525%0.249SC..Hα-helixtrans-69-36.7174.200000111.4P734 Q735 L736 L740P734-A738 PolarHBondContact O-N 3.42Å; P734-A738 VanDerWaalsContact O-N 3.09Å; Q735-A738 VanDerWaalsContact O-CB 3.27Å; Q735-A738 WeakPolarHBondContact O-CB 3.26Å; Q735-A738 PolarHBondContact O-N 3.28Å; L736-A738 VanDerWaalsContact C-N 3.26Å; L736-A738 PolarHBondContact O-N 3Å; A738-L740 VanDerWaalsContact C-N 3.29Å; A738-L740 PolarHBondContact O-N 3.01Å
739Y84.3Confident85.2Confident66 Ų6645.4 Ų45.426%0.25926%0.259SS..G310 helixtrans-80-0.1-178.6-68.7-71.4000115.1I703 A707 Q735 L736 N741 H742 F751I703-Y739 HydrophobicContact CG2-CD2 3.57Å; I703-Y739 HydrophobicContact CG2-CE2 3.2Å; A707-Y739 HydrophobicContact CB-CD1 3.89Å; A707-Y739 HydrophobicContact CB-CE1 3.43Å; A707-Y739 VanDerWaalsContact CB-CE1 3.43Å; Q735-Y739 WeakPolarHBondContact O-CD2 3.33Å; Q735-Y739 PolarHBondContact O-N 2.83Å; L736-Y739 PolarHBondContact O-N 3.14Å; Y739-N741 PolarHBondContact O-N 3.35Å; Y739-H742 WeakPolarHBondContact O-CB 3.44Å; Y739-H742 PolarHBondContact O-N 3.22Å; Y739-F751 HydrophobicContact CD2-CE1 4.46Å; Y739-F751 HydrophobicContact CD2-CZ 4.36Å; Y739-F751 HydrophobicContact CG-CE1 4.48Å; Y739-F751 HydrophobicContact CG-CE2 4.14Å; Y739-F751 HydrophobicContact CG-CZ 4.07Å
740L83.4Confident85.2Confident0 Ų046 Ų460%026%0.262CS..G310 helixtrans-62.9-11168.8-68.1-172.7000113.9F737 A738 Q748 T752 L755 C790F737-L740 HydrophobicContact CD1-CD1 3.62Å; F737-L740 HydrophobicContact CD1-CG 4.44Å; F737-L740 HydrophobicContact CE1-CD1 4.05Å; A738-L740 VanDerWaalsContact C-N 3.29Å; A738-L740 PolarHBondContact O-N 3.01Å; L740-Q748 WeakPolarHBondContact O-CG 3.47Å; L740-Q748 PolarHBondContact O-NE2 3.27Å; L740-T752 WeakPolarHBondContact CD2-OG1 3.48Å; L740-L755 HydrophobicContact CD1-CD1 4.17Å; L740-L755 HydrophobicContact CD2-CD1 3.89Å; L740-L755 HydrophobicContact CG-CD1 4.16Å; L740-C790 HydrophobicContact CD1-CB 4.12Å; L740-C790 HydrophobicContact CD2-CB 3.81Å; L740-C790 HydrophobicContact CG-CB 4.4Å
741N76.9Confident85.4Confident80 Ų8042.8 Ų42.843%0.42825%0.247SC..G310 helixtrans-101.615.8173.8-73.8-12.5000113.1Y739 R787Y739-N741 PolarHBondContact O-N 3.35Å; N741-R787 PolarHBondContact ND2-NE 2.93Å; N741-R787 WeakPolarHBondContact OD1-CB 3.45Å; N741-R787 WeakPolarHBondContact OD1-CD 3.48Å; N741-R787 WeakPolarHBondContact OD1-CG 3.32Å; N741-R787 PolarHBondContact OD1-NE 2.79Å
742H79.1Confident85.5Confident29 Ų2939.8 Ų39.813%0.13423%0.232CC..  trans-60.9137.7-176.1-167.3-90000111.5A707 Y739 N744 A747A707-H742 PolarHBondContact O-NE2 2.73Å; A707-H742 VanDerWaalsContact O-NE2 3.14Å; Y739-H742 WeakPolarHBondContact O-CB 3.44Å; Y739-H742 PolarHBondContact O-N 3.22Å; H742-N744 VanDerWaalsContact C-N 3.27Å; H742-N744 WeakPolarHBondContact ND1-CB 3.24Å; H742-N744 PolarHBondContact ND1-N 3.37Å; H742-N744 PolarHBondContact ND1-O 3.42Å; H742-N744 PolarHBondContact O-N 3.25Å; H742-A747 WeakPolarHBondContact ND1-CB 3.4Å
743P76.4Confident85.5Confident111 Ų11144.9 Ų44.972%0.72125%0.251SS*.SBendtrans-64.3-30.1-177.522.7-33.2000113.4
744N76.9Confident85.6Confident44 Ų4444.9 Ų44.924%0.23525%0.251CS..SBendtrans-82.9116.1173.8-173.5-17.9000111T711 H742 A746 A747 Q748T711-N744 VanDerWaalsContact CG2-ND2 3.32Å; T711-N744 WeakPolarHBondContact CG2-ND2 3.17Å; H742-N744 VanDerWaalsContact C-N 3.27Å; H742-N744 WeakPolarHBondContact ND1-CB 3.24Å; H742-N744 PolarHBondContact ND1-N 3.37Å; H742-N744 PolarHBondContact ND1-O 3.42Å; H742-N744 PolarHBondContact O-N 3.25Å; N744-A746 VanDerWaalsContact C-N 3.31Å; N744-A746 PolarHBondContact O-N 3.49Å; N744-A746 WeakPolarHBondContact OD1-CB 3.23Å; N744-A746 PolarHBondContact OD1-N 2.86Å; N744-A747 HydrophobicContact CB-CB 4.06Å; N744-A747 WeakPolarHBondContact O-CB 3.49Å; N744-A747 PolarHBondContact O-N 3.43Å; N744-Q748 PolarHBondContact O-N 3.25Å
745K79.9Confident85.7Confident150 Ų15040.8 Ų40.865%0.65222%0.224SC*.Hα-helixtrans-61.4-33.8177.8-74-165.7174.7-1690113.7Q748 G749K745-Q748 PolarHBondContact O-N 2.7Å; K745-G749 PolarHBondContact O-N 3.27Å
746A82.5Confident85.7Confident56 Ų5638.3 Ų38.346%0.46322%0.215SC..Hα-helixtrans-66.7-43.5177.500000110.8F710 N744 G749 E750F710-A746 HydrophobicContact CD1-CB 4.35Å; F710-A746 HydrophobicContact CE1-CB 3.6Å; F710-A746 HydrophobicContact CZ-CB 4.35Å; N744-A746 VanDerWaalsContact C-N 3.31Å; N744-A746 PolarHBondContact O-N 3.49Å; N744-A746 WeakPolarHBondContact OD1-CB 3.23Å; N744-A746 PolarHBondContact OD1-N 2.86Å; A746-G749 PolarHBondContact O-N 2.83Å; A746-E750 PolarHBondContact O-N 3.47Å
747A83.1Confident85.7Confident0 Ų039.6 Ų39.60%022%0.224CC..Hα-helixtrans-62.4-44.4174.100000111.9F710 H742 N744 G749 E750 F751F710-A747 HydrophobicContact CB-CB 4.07Å; F710-A747 HydrophobicContact CD1-CB 3.85Å; F710-A747 HydrophobicContact CD2-CB 3.45Å; F710-A747 VanDerWaalsContact CD2-CB 3.45Å; F710-A747 HydrophobicContact CE1-CB 4.17Å; F710-A747 VanDerWaalsContact CE2-CA 3.44Å; F710-A747 HydrophobicContact CE2-CB 3.82Å; F710-A747 HydrophobicContact CG-CB 3.48Å; F710-A747 VanDerWaalsContact CG-CB 3.48Å; F710-A747 VanDerWaalsContact CZ-CA 3.48Å; F710-A747 HydrophobicContact CZ-CB 4.16Å; H742-A747 WeakPolarHBondContact ND1-CB 3.4Å; N744-A747 HydrophobicContact CB-CB 4.06Å; N744-A747 WeakPolarHBondContact O-CB 3.49Å; N744-A747 PolarHBondContact O-N 3.43Å; A747-G749 VanDerWaalsContact C-N 3.29Å; A747-G749 PolarHBondContact O-N 3.47Å; A747-E750 PolarHBondContact O-N 3.39Å; A747-E750 VanDerWaalsContact O-N 3.12Å; A747-F751 HydrophobicContact CB-CE2 4.38Å; A747-F751 WeakPolarHBondContact O-CD2 2.96Å; A747-F751 PolarHBondContact O-N 2.9Å
748Q85.5Confident85.8Confident19 Ų1939.5 Ų39.59%0.08922%0.223CC..Hα-helixtrans-57.3-44.3175.7-167.7-167.424.600111.4L740 N744 K745 E750 T752 C790L740-Q748 WeakPolarHBondContact O-CG 3.47Å; L740-Q748 PolarHBondContact O-NE2 3.27Å; N744-Q748 PolarHBondContact O-N 3.25Å; K745-Q748 PolarHBondContact O-N 2.7Å; Q748-E750 VanDerWaalsContact C-N 3.32Å; Q748-E750 PolarHBondContact O-N 2.97Å; Q748-T752 WeakPolarHBondContact O-CB 3.43Å; Q748-T752 PolarHBondContact O-N 3.08Å; Q748-T752 PolarHBondContact O-OG1 2.85Å; Q748-C790 VanDerWaalsContact CD-SG 3.52Å; Q748-C790 PolarHBondContact NE2-SG 2.98Å
749G88.3Confident86Confident38 Ų3836.9 Ų36.939%0.39220%0.202SC..Hα-helixtrans-59.1-41.917500000112.3K745 A746 A747 T752 R753K745-G749 PolarHBondContact O-N 3.27Å; A746-G749 PolarHBondContact O-N 2.83Å; A747-G749 VanDerWaalsContact C-N 3.29Å; A747-G749 PolarHBondContact O-N 3.47Å; G749-T752 WeakPolarHBondContact O-CB 3.47Å; G749-T752 PolarHBondContact O-N 3.28Å; G749-R753 PolarHBondContact O-N 2.85Å
750E89.4Confident86.2Confident18 Ų1840 Ų408%0.08422%0.218CC..Hα-helixtrans-71.2-44.4-179.6-162.958.5-145.600113.2F710 F714 L721 H722 A746 A747 Q748 T752 R753 I754F710-E750 HydrophobicContact CE2-CB 3.99Å; F710-E750 HydrophobicContact CE2-CG 4.47Å; F710-E750 HydrophobicContact CZ-CB 4.08Å; F714-E750 HydrophobicContact CE2-CB 4.38Å; F714-E750 HydrophobicContact CE2-CG 3.6Å; F714-E750 HydrophobicContact CZ-CB 4.48Å; F714-E750 HydrophobicContact CZ-CG 3.91Å; F714-E750 WeakPolarHBondContact CZ-OE2 3.37Å; L721-E750 HydrophobicContact CD2-CG 4Å; H722-E750 IonicContact CD2-OE1 3.64Å; H722-E750 PolarHBondContact CD2-OE1 2.79Å; H722-E750 VanDerWaalsContact CD2-OE1 3.31Å; H722-E750 IonicContact CE1-OE1 3.44Å; H722-E750 IonicContact NE2-OE1 3.89Å; H722-E750 PolarHBondContact NE2-OE1 3.47Å; H722-E750 IonicContact NE2-OE2 3.38Å; A746-E750 PolarHBondContact O-N 3.47Å; A747-E750 PolarHBondContact O-N 3.39Å; A747-E750 VanDerWaalsContact O-N 3.12Å; Q748-E750 VanDerWaalsContact C-N 3.32Å; Q748-E750 PolarHBondContact O-N 2.97Å; E750-T752 PolarHBondContact O-N 3.2Å; E750-R753 WeakPolarHBondContact O-CA 3.38Å; E750-R753 VanDerWaalsContact O-CB 3.28Å; E750-R753 WeakPolarHBondContact O-CB 3.39Å; E750-R753 PolarHBondContact O-N 3.27Å; E750-R753 IonicContact OE1-NE 3.72Å; E750-R753 PolarHBondContact OE1-NE 3.41Å; E750-R753 VanDerWaalsContact OE1-NE 3.09Å; E750-I754 WeakPolarHBondContact O-CG1 3.13Å; E750-I754 PolarHBondContact O-N 2.85Å
751F90.5Very high86.5Confident1 Ų143 Ų430%0.00424%0.239CC..Hα-helixtrans-59.8-36.8172.3-72.3-64.2000111.7I703 L706 A707 L736 Y739 A747 I754 L755I703-F751 HydrophobicContact CG2-CE1 4.16Å; I703-F751 HydrophobicContact CG2-CZ 4.46Å; L706-F751 HydrophobicContact CD2-CE1 3.82Å; L706-F751 HydrophobicContact CD2-CE2 4.32Å; L706-F751 HydrophobicContact CD2-CZ 3.68Å; A707-F751 HydrophobicContact CB-CZ 4.41Å; L736-F751 HydrophobicContact CD2-CD1 3.89Å; L736-F751 HydrophobicContact CD2-CE1 4.31Å; Y739-F751 HydrophobicContact CD2-CE1 4.46Å; Y739-F751 HydrophobicContact CD2-CZ 4.36Å; Y739-F751 HydrophobicContact CG-CE1 4.48Å; Y739-F751 HydrophobicContact CG-CE2 4.14Å; Y739-F751 HydrophobicContact CG-CZ 4.07Å; A747-F751 HydrophobicContact CB-CE2 4.38Å; A747-F751 WeakPolarHBondContact O-CD2 2.96Å; A747-F751 PolarHBondContact O-N 2.9Å; F751-I754 PolarHBondContact O-N 3.29Å; F751-L755 WeakPolarHBondContact O-CG 3.35Å; F751-L755 PolarHBondContact O-N 3.28Å; F751-L755 VanDerWaalsContact O-N 3.08Å
752T90.8Very high86.9Confident1 Ų139.9 Ų39.91%0.00622%0.222CC..Hα-helixtrans-65.2-40.7173.8-52.50000110.8L740 Q748 G749 E750 I754 L755 C756 C790 Q793 V794L740-T752 WeakPolarHBondContact CD2-OG1 3.48Å; Q748-T752 WeakPolarHBondContact O-CB 3.43Å; Q748-T752 PolarHBondContact O-N 3.08Å; Q748-T752 PolarHBondContact O-OG1 2.85Å; G749-T752 WeakPolarHBondContact O-CB 3.47Å; G749-T752 PolarHBondContact O-N 3.28Å; E750-T752 PolarHBondContact O-N 3.2Å; T752-I754 PolarHBondContact O-N 3.44Å; T752-L755 PolarHBondContact O-N 3.25Å; T752-C756 PolarHBondContact O-N 2.87Å; T752-C756 PolarHBondContact O-SG 3.15Å; T752-C790 HydrophobicContact CG2-CB 4.08Å; T752-C790 WeakPolarHBondContact OG1-CB 3.23Å; T752-C790 PolarHBondContact OG1-SG 3.03Å; T752-Q793 HydrophobicContact CG2-CB 4.19Å; T752-V794 HydrophobicContact CG2-CG2 4.17Å
753R91.3Very high87.3Confident106 Ų10640.2 Ų40.240%0.423%0.228SC..Hα-helixtrans-60.6-44.4175.7-160.5-169.599.582.72.7112H722 G749 E750 L755 C756 S757H722-R753 PolarHBondContact CD2-NH2 3.37Å; H722-R753 PolarHBondContact CE1-NE 3.28Å; H722-R753 PolarHBondContact ND1-NH2 3.16Å; H722-R753 PolarHBondContact NE2-NE 3.38Å; H722-R753 PolarHBondContact NE2-NH2 3.02Å; G749-R753 PolarHBondContact O-N 2.85Å; E750-R753 WeakPolarHBondContact O-CA 3.38Å; E750-R753 VanDerWaalsContact O-CB 3.28Å; E750-R753 WeakPolarHBondContact O-CB 3.39Å; E750-R753 PolarHBondContact O-N 3.27Å; E750-R753 IonicContact OE1-NE 3.72Å; E750-R753 PolarHBondContact OE1-NE 3.41Å; E750-R753 VanDerWaalsContact OE1-NE 3.09Å; R753-L755 VanDerWaalsContact C-N 3.35Å; R753-L755 PolarHBondContact O-N 2.96Å; R753-C756 WeakPolarHBondContact O-CB 3.32Å; R753-C756 PolarHBondContact O-N 3.1Å; R753-S757 PolarHBondContact O-N 3.25Å
754I91.5Very high87.7Confident8 Ų837.1 Ų37.14%0.04120%0.203CC..Hα-helixtrans-59.6-47.4175.6-64.4169.2000109.9L721 W729 L736 E750 F751 T752 C756 S757 L758L721-I754 HydrophobicContact CD2-CD1 4.26Å; L721-I754 HydrophobicContact CG-CD1 4.48Å; W729-I754 HydrophobicContact CD2-CG2 3.94Å; W729-I754 HydrophobicContact CG-CG2 3.98Å; W729-I754 HydrophobicContact CZ2-CD1 4.34Å; L736-I754 HydrophobicContact CD1-CG2 3.94Å; L736-I754 HydrophobicContact CD2-CG2 4.4Å; E750-I754 WeakPolarHBondContact O-CG1 3.13Å; E750-I754 PolarHBondContact O-N 2.85Å; F751-I754 PolarHBondContact O-N 3.29Å; T752-I754 PolarHBondContact O-N 3.44Å; I754-C756 VanDerWaalsContact C-N 3.32Å; I754-C756 PolarHBondContact O-N 2.88Å; I754-S757 PolarHBondContact O-N 3.37Å; I754-S757 PolarHBondContact O-OG 2.92Å; I754-L758 HydrophobicContact CG2-CD1 4.49Å; I754-L758 PolarHBondContact O-N 3.37Å
755L91.4Very high88.1Confident0 Ų036.1 Ų36.10%020%0.2CC..Hα-helixtrans-62.5-36.3176.4-73.2169.4000112.9L736 F737 L740 F751 T752 R753 L758 A759 V794L736-L755 HydrophobicContact CB-CD1 4.46Å; L736-L755 HydrophobicContact CB-CD2 3.94Å; L736-L755 HydrophobicContact CB-CG 4.21Å; L736-L755 HydrophobicContact CD1-CD2 4.14Å; F737-L755 HydrophobicContact CD1-CD1 4.02Å; F737-L755 HydrophobicContact CD2-CD2 4.21Å; F737-L755 HydrophobicContact CE1-CD1 4.04Å; F737-L755 HydrophobicContact CE2-CD2 3.95Å; F737-L755 HydrophobicContact CG-CD1 4.39Å; F737-L755 HydrophobicContact CZ-CD1 4.37Å; F737-L755 HydrophobicContact CZ-CD2 4.18Å; L740-L755 HydrophobicContact CD1-CD1 4.17Å; L740-L755 HydrophobicContact CD2-CD1 3.89Å; L740-L755 HydrophobicContact CG-CD1 4.16Å; F751-L755 WeakPolarHBondContact O-CG 3.35Å; F751-L755 PolarHBondContact O-N 3.28Å; F751-L755 VanDerWaalsContact O-N 3.08Å; T752-L755 PolarHBondContact O-N 3.25Å; R753-L755 VanDerWaalsContact C-N 3.35Å; R753-L755 PolarHBondContact O-N 2.96Å; L755-L758 HydrophobicContact CD2-CD1 4.24Å; L755-L758 WeakPolarHBondContact O-CB 3.19Å; L755-L758 PolarHBondContact O-N 3.18Å; L755-A759 WeakPolarHBondContact O-CB 3.35Å; L755-A759 PolarHBondContact O-N 3.36Å; L755-V794 HydrophobicContact CB-CG2 3.88Å
756C92.2Very high88.6Confident20 Ų2029 Ų2914%0.13517%0.169CC..Hα-helixtrans-64.6-45173-70.60000111.5T752 R753 I754 L758 A759 E760 V797T752-C756 PolarHBondContact O-N 2.87Å; T752-C756 PolarHBondContact O-SG 3.15Å; R753-C756 WeakPolarHBondContact O-CB 3.32Å; R753-C756 PolarHBondContact O-N 3.1Å; I754-C756 VanDerWaalsContact C-N 3.32Å; I754-C756 PolarHBondContact O-N 2.88Å; C756-L758 VanDerWaalsContact C-N 3.28Å; C756-L758 PolarHBondContact O-N 3.06Å; C756-A759 WeakPolarHBondContact O-CB 3.17Å; C756-A759 PolarHBondContact O-N 2.99Å; C756-E760 WeakPolarHBondContact O-CG 3.26Å; C756-E760 PolarHBondContact O-N 3.5Å; C756-V797 HydrophobicContact CB-CG2 4.1Å
757S91.2Very high88.9Confident27 Ų2726.3 Ų26.319%0.18915%0.147CC..Hα-helixtrans-62.4-36.7176.876.50000112.5R753 I754 E760 S761R753-S757 PolarHBondContact O-N 3.25Å; I754-S757 PolarHBondContact O-N 3.37Å; I754-S757 PolarHBondContact O-OG 2.92Å; S757-E760 PolarHBondContact O-N 2.72Å; S757-S761 WeakPolarHBondContact O-CB 3.29Å; S757-S761 PolarHBondContact O-N 3.28Å; S757-S761 VanDerWaalsContact O-N 3.08Å; S757-S761 PolarHBondContact O-OG 3.03Å
758L90.9Very high89.2Confident0 Ų028.1 Ų28.10%016%0.155CC..Hα-helixtrans-63.9-42.4171.7-93.2166.7000111.5P726 W729 I733 L736 I754 L755 C756 E760 S761 M762 V766P726-L758 WeakPolarHBondContact O-CD2 3.42Å; W729-L758 HydrophobicContact CB-CD1 3.6Å; W729-L758 HydrophobicContact CB-CD2 4Å; W729-L758 HydrophobicContact CB-CG 3.97Å; W729-L758 HydrophobicContact CG-CD1 4.46Å; I733-L758 HydrophobicContact CG1-CD1 4.08Å; L736-L758 HydrophobicContact CD1-CD1 3.84Å; I754-L758 HydrophobicContact CG2-CD1 4.49Å; I754-L758 PolarHBondContact O-N 3.37Å; L755-L758 HydrophobicContact CD2-CD1 4.24Å; L755-L758 WeakPolarHBondContact O-CB 3.19Å; L755-L758 PolarHBondContact O-N 3.18Å; C756-L758 VanDerWaalsContact C-N 3.28Å; C756-L758 PolarHBondContact O-N 3.06Å; L758-E760 VanDerWaalsContact C-N 3.32Å; L758-E760 PolarHBondContact O-N 2.89Å; L758-S761 PolarHBondContact O-N 3.31Å; L758-M762 CarbonylContact O-C 3.38Å; L758-M762 WeakPolarHBondContact O-CA 3.39Å; L758-M762 PolarHBondContact O-N 3.47Å; L758-V766 HydrophobicContact CB-CG2 3.81Å
759A90.1Very high89.4Confident0 Ų029.5 Ų29.50%017%0.165CC..Hα-helixtrans-66.1-32.817800000112.8L755 C756 P763 V794 V797 L798L755-A759 WeakPolarHBondContact O-CB 3.35Å; L755-A759 PolarHBondContact O-N 3.36Å; C756-A759 WeakPolarHBondContact O-CB 3.17Å; C756-A759 PolarHBondContact O-N 2.99Å; A759-P763 WeakPolarHBondContact O-CA 3.39Å; A759-P763 WeakPolarHBondContact O-CB 3.3Å; A759-V794 HydrophobicContact CB-CG1 4.23Å; A759-V797 HydrophobicContact CB-CG1 4.06Å; A759-L798 HydrophobicContact CB-CD2 3.73Å; A759-L798 HydrophobicContact CB-CG 3.98Å
760E90Very high89.4Confident131 Ų13127.7 Ų27.761%0.61215%0.146SC*.Hα-helixtrans-70.2-40.6173.3-70171.7-178.100111.7C756 S757 L758 V797C756-E760 WeakPolarHBondContact O-CG 3.26Å; C756-E760 PolarHBondContact O-N 3.5Å; S757-E760 PolarHBondContact O-N 2.72Å; L758-E760 VanDerWaalsContact C-N 3.32Å; L758-E760 PolarHBondContact O-N 2.89Å; E760-V797 HydrophobicContact CG-CG1 3.54Å
761S88Confident89.3Confident63 Ų6327 Ų2744%0.44114%0.143SC..Hα-helixtrans-83.9-40.4-173.1-51.80000113.4P726 S757 L758P726-S761 VanDerWaalsContact CB-OG 3.31Å; P726-S761 WeakPolarHBondContact CB-OG 3.4Å; P726-S761 WeakPolarHBondContact CG-OG 3.42Å; S757-S761 WeakPolarHBondContact O-CB 3.29Å; S757-S761 PolarHBondContact O-N 3.28Å; S757-S761 VanDerWaalsContact O-N 3.08Å; S757-S761 PolarHBondContact O-OG 3.03Å; L758-S761 PolarHBondContact O-N 3.31Å
762M86.3Confident89Confident15 Ų1530.2 Ų30.27%0.07416%0.163CC..  trans-144.268.7-172-70.5-175.248.600110.2K727 K730 L758 E764 S765K727-M762 HydrophobicContact CB-SD 4.17Å; K727-M762 HydrophobicContact CG-SD 3.79Å; K730-M762 HydrophobicContact CD-CE 3.93Å; K730-M762 HydrophobicContact CG-CE 4.11Å; L758-M762 CarbonylContact O-C 3.38Å; L758-M762 WeakPolarHBondContact O-CA 3.39Å; L758-M762 PolarHBondContact O-N 3.47Å; M762-E764 PolarHBondContact O-N 3.05Å; M762-E764 VanDerWaalsContact O-N 3.15Å; M762-S765 WeakPolarHBondContact CE-OG 3.38Å; M762-S765 PolarHBondContact O-N 2.64Å
763P86.4Confident88.5Confident37 Ų3733 Ų3324%0.2417%0.174CC..Hα-helixtrans-56.7-35.8-173.621.8-32.8000112.4A759 S765 V766 L767 L798A759-P763 WeakPolarHBondContact O-CA 3.39Å; A759-P763 WeakPolarHBondContact O-CB 3.3Å; P763-S765 PolarHBondContact O-N 2.77Å; P763-V766 PolarHBondContact O-N 3.3Å; P763-L767 VanDerWaalsContact O-CB 3.3Å; P763-L767 WeakPolarHBondContact O-CB 3.39Å; P763-L767 PolarHBondContact O-N 2.93Å; P763-L798 HydrophobicContact CB-CD2 3.72Å
764E86.1Confident87.9Confident46 Ų4629.4 Ų29.422%0.21516%0.162CC..Hα-helixtrans-60.2-30.1-176.866.9-84.7-16900114M762 P968 R973 P978M762-E764 PolarHBondContact O-N 3.05Å; M762-E764 VanDerWaalsContact O-N 3.15Å; E764-P968 HydrophobicContact CB-CB 3.96Å; E764-P968 HydrophobicContact CB-CG 3.71Å; E764-R973 IonicContact OE1-NH2 3.97Å; E764-R973 PolarHBondContact OE1-NH2 2.79Å; E764-P978 HydrophobicContact CG-CB 4.38Å; E764-P978 HydrophobicContact CG-CG 4.47Å
765S85.1Confident87Confident23 Ų2331.1 Ų31.116%0.16117%0.17CC..Hα-helixtrans-81-26.5-175.7-58.60000112.5M762 P763M762-S765 WeakPolarHBondContact CE-OG 3.38Å; M762-S765 PolarHBondContact O-N 2.64Å; P763-S765 PolarHBondContact O-N 2.77Å
766V89.4Confident85.7Confident0 Ų034.3 Ų34.30%019%0.187CC..Hα-helixtrans-101-18.6-177.1-173.10000111.8I733 F737 L758 P763 P769 T770 V794I733-V766 HydrophobicContact CD1-CG2 4.06Å; F737-V766 HydrophobicContact CE2-CG1 4.17Å; F737-V766 HydrophobicContact CZ-CG1 3.91Å; L758-V766 HydrophobicContact CB-CG2 3.81Å; P763-V766 PolarHBondContact O-N 3.3Å; V766-P769 WeakPolarHBondContact O-CD 3.42Å; V766-T770 WeakPolarHBondContact CG1-OG1 3.46Å; V766-T770 WeakPolarHBondContact O-CB 3.46Å; V766-T770 PolarHBondContact O-N 3.04Å; V766-T770 VanDerWaalsContact O-N 3.09Å; V766-T770 PolarHBondContact O-OG1 2.94Å; V766-V794 HydrophobicContact CG1-CG1 3.72Å
767L89.7Confident83.7Confident0 Ų039.9 Ų39.90%021%0.208CC..Hα-helixtrans-52.8-61.6-176.2-176.170.2000113.1P763 T770 I771 L798 L805 V806 T809 P968P763-L767 VanDerWaalsContact O-CB 3.3Å; P763-L767 WeakPolarHBondContact O-CB 3.39Å; P763-L767 PolarHBondContact O-N 2.93Å; L767-T770 PolarHBondContact O-N 2.75Å; L767-I771 HydrophobicContact CD1-CD1 3.49Å; L767-I771 VanDerWaalsContact CD1-CD1 3.49Å; L767-I771 HydrophobicContact CD1-CG1 4.47Å; L767-I771 HydrophobicContact CG-CD1 3.94Å; L767-I771 WeakPolarHBondContact O-CG1 3.06Å; L767-I771 PolarHBondContact O-N 3.27Å; L767-L798 HydrophobicContact CD1-CD1 4.42Å; L767-L805 HydrophobicContact CD1-CG 4.49Å; L767-L805 HydrophobicContact CD2-CD1 4.08Å; L767-L805 HydrophobicContact CD2-CD2 4.21Å; L767-L805 HydrophobicContact CD2-CG 4.1Å; L767-V806 HydrophobicContact CD1-CG2 4.19Å; L767-T809 HydrophobicContact CD2-CG2 4.04Å; L767-T809 HydrophobicContact CG-CG2 4.08Å; L767-P968 HydrophobicContact CD2-CG 3.98Å
768F90Very high81.5Confident37 Ų3745.2 Ų45.216%0.16224%0.235CC..Hα-helixtrans-63.9-50.2-176.7-72.6-82.1000112.8T770 I771 V772 T809 F812 I813 I967 P968 P970F768-T770 PolarHBondContact O-N 2.88Å; F768-I771 PolarHBondContact O-N 3.42Å; F768-V772 WeakPolarHBondContact O-CB 3.09Å; F768-V772 WeakPolarHBondContact O-CG2 3.21Å; F768-V772 PolarHBondContact O-N 3.49Å; F768-T809 HydrophobicContact CD1-CG2 4.37Å; F768-T809 HydrophobicContact CE1-CG2 4.07Å; F768-T809 HydrophobicContact CZ-CG2 4.47Å; F768-F812 HydrophobicContact CE1-CD1 4.31Å; F768-F812 HydrophobicContact CE1-CE1 4.23Å; F768-I813 HydrophobicContact CD1-CD1 4Å; F768-I813 HydrophobicContact CD1-CG1 4.47Å; F768-I813 HydrophobicContact CE1-CD1 4.48Å; F768-I967 HydrophobicContact CZ-CG2 3.9Å; F768-P968 HydrophobicContact CE2-CG 4.29Å; F768-P968 VanDerWaalsContact CE2-O 3.23Å; F768-P968 WeakPolarHBondContact CE2-O 3.28Å; F768-P968 WeakPolarHBondContact CZ-O 3.47Å; F768-P970 HydrophobicContact CD2-CG 4.09Å; F768-P970 HydrophobicContact CE2-CG 3.8Å; F768-P970 HydrophobicContact CZ-CG 4.08Å
769P88.9Confident79.1Confident48 Ų4848.2 Ų48.231%0.31225%0.254SS..Hα-helixtrans-56.1-36.8177.7-2835.6000114I733 F737 V766 R773I733-P769 HydrophobicContact CG2-CG 4.33Å; F737-P769 HydrophobicContact CD2-CB 3.87Å; F737-P769 HydrophobicContact CE2-CB 3.4Å; F737-P769 HydrophobicContact CE2-CG 4.27Å; F737-P769 HydrophobicContact CZ-CB 3.93Å; V766-P769 WeakPolarHBondContact O-CD 3.42Å; P769-R773 WeakPolarHBondContact O-CD 3.12Å; P769-R773 WeakPolarHBondContact O-CG 3.3Å
770T88.2Confident76.6Confident0 Ų051.5 Ų51.50%029%0.287CS..Hα-helixtrans-70.9-51.1179-52.70000111.2F737 V766 L767 F768 R773 L774 V794 A795 L798F737-T770 WeakPolarHBondContact CZ-OG1 3.2Å; V766-T770 WeakPolarHBondContact CG1-OG1 3.46Å; V766-T770 WeakPolarHBondContact O-CB 3.46Å; V766-T770 PolarHBondContact O-N 3.04Å; V766-T770 VanDerWaalsContact O-N 3.09Å; V766-T770 PolarHBondContact O-OG1 2.94Å; L767-T770 PolarHBondContact O-N 2.75Å; F768-T770 PolarHBondContact O-N 2.88Å; T770-R773 PolarHBondContact O-N 2.96Å; T770-L774 HydrophobicContact CG2-CD1 4.39Å; T770-L774 WeakPolarHBondContact O-CG 3.48Å; T770-L774 PolarHBondContact O-N 3.08Å; T770-V794 HydrophobicContact CG2-CB 4.13Å; T770-V794 HydrophobicContact CG2-CG1 4.03Å; T770-A795 HydrophobicContact CG2-CB 4.08Å; T770-L798 HydrophobicContact CG2-CD1 4.36Å
771I86.5Confident74Confident4 Ų453.6 Ų53.62%0.02130%0.295CS..Hα-helixtrans-68.8-40-174.1-64171.8000111.3L767 F768 R773 L774 H775 V806 T809 I810 I813L767-I771 HydrophobicContact CD1-CD1 3.49Å; L767-I771 VanDerWaalsContact CD1-CD1 3.49Å; L767-I771 HydrophobicContact CD1-CG1 4.47Å; L767-I771 HydrophobicContact CG-CD1 3.94Å; L767-I771 WeakPolarHBondContact O-CG1 3.06Å; L767-I771 PolarHBondContact O-N 3.27Å; F768-I771 PolarHBondContact O-N 3.42Å; I771-R773 VanDerWaalsContact C-N 3.25Å; I771-R773 PolarHBondContact O-N 3.3Å; I771-L774 PolarHBondContact O-N 2.89Å; I771-L774 VanDerWaalsContact O-N 3.08Å; I771-H775 PolarHBondContact O-N 3.4Å; I771-V806 HydrophobicContact CD1-CG1 4.31Å; I771-T809 HydrophobicContact CD1-CG2 3.55Å; I771-I810 HydrophobicContact CD1-CG1 4.3Å; I771-I810 HydrophobicContact CG1-CG1 4.42Å; I771-I810 HydrophobicContact CG2-CB 4.43Å; I771-I810 HydrophobicContact CG2-CG1 3.65Å; I771-I813 HydrophobicContact CB-CD1 3.78Å; I771-I813 HydrophobicContact CG2-CD1 3.48Å; I771-I813 VanDerWaalsContact CG2-CD1 3.48Å
772V85.6Confident71.8Confident68 Ų6860 Ų6041%0.41232%0.317SS..Hα-helixtrans-56.3-43.1176.9170.10000110.8F768 L774 H775 D776 I813F768-V772 WeakPolarHBondContact O-CB 3.09Å; F768-V772 WeakPolarHBondContact O-CG2 3.21Å; F768-V772 PolarHBondContact O-N 3.49Å; V772-L774 VanDerWaalsContact C-N 3.35Å; V772-L774 PolarHBondContact O-N 2.87Å; V772-H775 PolarHBondContact O-N 3.05Å; V772-D776 PolarHBondContact O-N 3.1Å; V772-I813 HydrophobicContact CG2-CD1 4.03Å
773R80.2Confident69.9Low61 Ų6161.8 Ų61.823%0.2333%0.327CS..Hα-helixtrans-69.6-28.6178.4-75.7174.5165.7-153.3-1114.1F737 P769 T770 I771F737-R773 PolarHBondContact O-NH1 3.34Å; F737-R773 PolarHBondContact O-NH2 3.39Å; P769-R773 WeakPolarHBondContact O-CD 3.12Å; P769-R773 WeakPolarHBondContact O-CG 3.3Å; T770-R773 PolarHBondContact O-N 2.96Å; I771-R773 VanDerWaalsContact C-N 3.25Å; I771-R773 PolarHBondContact O-N 3.3Å
774L78.8Confident68.3Low30 Ų3068.2 Ų68.216%0.15735%0.351CS..Hα-helixtrans-74.3-32.7174.4-70.3173.9000112T770 I771 V772 D776 L788 C791 N792 A795T770-L774 HydrophobicContact CG2-CD1 4.39Å; T770-L774 WeakPolarHBondContact O-CG 3.48Å; T770-L774 PolarHBondContact O-N 3.08Å; I771-L774 PolarHBondContact O-N 2.89Å; I771-L774 VanDerWaalsContact O-N 3.08Å; V772-L774 VanDerWaalsContact C-N 3.35Å; V772-L774 PolarHBondContact O-N 2.87Å; L774-D776 VanDerWaalsContact C-N 3.33Å; L774-L788 HydrophobicContact CD2-CD2 4.17Å; L774-L788 HydrophobicContact CD2-CG 4.46Å; L774-C791 HydrophobicContact CD2-CB 3.83Å; L774-C791 HydrophobicContact CG-CB 4.26Å; L774-N792 VanDerWaalsContact CD2-OD1 3.22Å; L774-N792 WeakPolarHBondContact CD2-OD1 3.46Å; L774-A795 HydrophobicContact CD1-CB 3.58Å
775H71.1Confident67Low44 Ų4474 Ų7420%0.20438%0.378CS..Hα-helixtrans-71.3-26.5-179.7-169.2-89.2000113.2I771 V772 K777 N778 I813 H817I771-H775 PolarHBondContact O-N 3.4Å; V772-H775 PolarHBondContact O-N 3.05Å; H775-K777 PolarHBondContact O-N 3.08Å; H775-N778 PolarHBondContact O-N 3.47Å; H775-I813 HydrophobicContact CB-CG2 4.43Å; H775-H817 AromaticContact CE1-CG 3.71Å; H775-H817 AromaticContact CE1-ND1 3.76Å; H775-H817 AromaticContact ND1-CE1 3.88Å; H775-H817 AromaticContact ND1-CG 3.89Å; H775-H817 AromaticContact ND1-ND1 3.52Å
776D64.5Low65.7Low66 Ų6676.7 Ų76.735%0.35339%0.391SS..G310 helixtrans-65.5-2.5-177.4-134.7-0.5000114.1V772 L774 N778 T779 L783V772-D776 PolarHBondContact O-N 3.1Å; L774-D776 VanDerWaalsContact C-N 3.33Å; D776-N778 PolarHBondContact O-N 3.35Å; D776-T779 PolarHBondContact O-N 2.89Å; D776-T779 PolarHBondContact O-OG1 3.36Å; D776-T779 PolarHBondContact OD1-OG1 2.92Å; D776-L783 HydrophobicContact CB-CD1 3.84Å
777K51Low64.5Low137 Ų13779.5 Ų79.560%0.59640%0.401SS*.G310 helixtrans-56-26.4170.9-102179.5163174.50114.4H775 L788H775-K777 PolarHBondContact O-N 3.08Å; K777-L788 HydrophobicContact CD-CD1 4.28Å; K777-L788 HydrophobicContact CD-CD2 3.93Å; K777-L788 HydrophobicContact CG-CD1 3.95Å; K777-L788 VanDerWaalsContact NZ-CD2 3.28Å
778N44.1Very low63.6Low139 Ų13980.4 Ų80.474%0.74341%0.406SS*.G310 helixtrans-94.6-3.5-171.9-71.8-11.4000114.4H775 D776H775-N778 PolarHBondContact O-N 3.47Å; D776-N778 PolarHBondContact O-N 3.35Å
779T41.7Very low63.2Low64 Ų6484.4 Ų84.439%0.39343%0.425SS..SBendtrans-91.98.5-172.254.90000114.6D776 F781D776-T779 PolarHBondContact O-N 2.89Å; D776-T779 PolarHBondContact O-OG1 3.36Å; D776-T779 PolarHBondContact OD1-OG1 2.92Å; T779-F781 PolarHBondContact O-N 2.94Å; T779-F781 VanDerWaalsContact O-N 3.15Å
780G37.5Very low62.8Low69 Ų6982.5 Ų82.571%0.71141%0.413SS*.SBendtrans73.9-1.5174.600000115.3
781F35.4Very low62.6Low174 Ų17482.6 Ų82.676%0.76341%0.414SS*.  trans-91.4104.8167.5-75.5-85.9000109.1T779 L783T779-F781 PolarHBondContact O-N 2.94Å; T779-F781 VanDerWaalsContact O-N 3.15Å; F781-L783 PolarHBondContact O-N 3.21Å
782H40.4Very low62.5Low197 Ų19785.8 Ų85.891%0.91243%0.431SS*.  trans-57.299.5177.1-80.1-80.8000111.4
783L47.5Very low62.6Low54 Ų5487.9 Ų87.928%0.28344%0.436SS..  trans-67.2133.2162.4-77.6162.1000108.9D776 F781 E785 L788D776-L783 HydrophobicContact CB-CD1 3.84Å; F781-L783 PolarHBondContact O-N 3.21Å; L783-E785 PolarHBondContact O-N 2.77Å; L783-L788 HydrophobicContact CB-CD1 4.44Å
784K52.8Low63Low171 Ų17185 Ų8574%0.74343%0.425SS*.  trans-55.8129.8175.2-69.1-176.7176.8-178.40110.1N786 R787K784-N786 VanDerWaalsContact C-N 3.26Å; K784-N786 PolarHBondContact O-N 3.3Å; K784-N786 VanDerWaalsContact O-N 3.12Å; K784-R787 PolarHBondContact O-N 3.06Å
785E58.4Low63.3Low168 Ų16883.7 Ų83.779%0.78542%0.418SS*.Hα-helixtrans-48.2-42.4-174.6-75.7175.4147.500113.7L783 R787 L788 E789L783-E785 PolarHBondContact O-N 2.77Å; E785-R787 VanDerWaalsContact C-N 3.28Å; E785-R787 PolarHBondContact O-N 3.38Å; E785-L788 VanDerWaalsContact O-CB 3.32Å; E785-L788 WeakPolarHBondContact O-CB 3.26Å; E785-L788 PolarHBondContact O-N 3.06Å; E785-E789 PolarHBondContact O-N 2.92Å
786N58.1Low64.2Low79 Ų7983.6 Ų83.642%0.42243%0.426SS..Hα-helixtrans-59.5-31.6-178.2-61.80.6000114.2K784 L788 E789K784-N786 VanDerWaalsContact C-N 3.26Å; K784-N786 PolarHBondContact O-N 3.3Å; K784-N786 VanDerWaalsContact O-N 3.12Å; N786-L788 PolarHBondContact O-N 2.73Å; N786-E789 PolarHBondContact O-N 2.84Å
787R63.2Low65.4Low60 Ų6081.6 Ų81.623%0.22642%0.416CS..Hα-helixtrans-67.7-31.1179.9-160.4178.9-155-172.25.8111.1N741 K784 E785 C791N741-R787 PolarHBondContact ND2-NE 2.93Å; N741-R787 WeakPolarHBondContact OD1-CB 3.45Å; N741-R787 WeakPolarHBondContact OD1-CD 3.48Å; N741-R787 WeakPolarHBondContact OD1-CG 3.32Å; N741-R787 PolarHBondContact OD1-NE 2.79Å; K784-R787 PolarHBondContact O-N 3.06Å; E785-R787 VanDerWaalsContact C-N 3.28Å; E785-R787 PolarHBondContact O-N 3.38Å; R787-C791 PolarHBondContact O-N 3.37Å; R787-C791 PolarHBondContact O-SG 2.97Å
788L71.4Confident67.1Low19 Ų1975.3 Ų75.310%0.09939%0.388CS..Hα-helixtrans-76.9-32.9-177.8-125.8124.4000111.5L774 K777 L783 E785 N786 C791 N792L774-L788 HydrophobicContact CD2-CD2 4.17Å; L774-L788 HydrophobicContact CD2-CG 4.46Å; K777-L788 HydrophobicContact CD-CD1 4.28Å; K777-L788 HydrophobicContact CD-CD2 3.93Å; K777-L788 HydrophobicContact CG-CD1 3.95Å; K777-L788 VanDerWaalsContact NZ-CD2 3.28Å; L783-L788 HydrophobicContact CB-CD1 4.44Å; E785-L788 VanDerWaalsContact O-CB 3.32Å; E785-L788 WeakPolarHBondContact O-CB 3.26Å; E785-L788 PolarHBondContact O-N 3.06Å; N786-L788 PolarHBondContact O-N 2.73Å; L788-C791 PolarHBondContact O-N 3.05Å; L788-N792 VanDerWaalsContact O-CB 3.25Å; L788-N792 WeakPolarHBondContact O-CB 3.48Å; L788-N792 PolarHBondContact O-N 3.33Å; L788-N792 PolarHBondContact O-ND2 2.96Å
789E81.2Confident69.3Low120 Ų12074.5 Ų74.556%0.56138%0.375SS*.Hα-helixtrans-58.8-49.1173.5-72.6-174.7149.100111.9E785 N786 N792 Q793E785-E789 PolarHBondContact O-N 2.92Å; N786-E789 PolarHBondContact O-N 2.84Å; E789-N792 WeakPolarHBondContact O-CB 3.37Å; E789-N792 PolarHBondContact O-N 3.2Å; E789-Q793 PolarHBondContact O-N 3.13Å
790C82.1Confident71.6Confident8 Ų878.1 Ų78.15%0.05439%0.392CS..Hα-helixtrans-62.4-46.3177.5-65.30000112.3L740 Q748 T752 N792 Q793 V794L740-C790 HydrophobicContact CD1-CB 4.12Å; L740-C790 HydrophobicContact CD2-CB 3.81Å; L740-C790 HydrophobicContact CG-CB 4.4Å; Q748-C790 VanDerWaalsContact CD-SG 3.52Å; Q748-C790 PolarHBondContact NE2-SG 2.98Å; T752-C790 HydrophobicContact CG2-CB 4.08Å; T752-C790 WeakPolarHBondContact OG1-CB 3.23Å; T752-C790 PolarHBondContact OG1-SG 3.03Å; C790-N792 VanDerWaalsContact C-N 3.27Å; C790-N792 PolarHBondContact O-N 3.13Å; C790-Q793 WeakPolarHBondContact O-CB 3.26Å; C790-Q793 PolarHBondContact O-N 2.94Å; C790-Q793 VanDerWaalsContact O-N 3.17Å; C790-V794 PolarHBondContact O-N 3.29Å; C790-V794 VanDerWaalsContact O-N 3.09Å
791C83.2Confident73.9Confident3 Ų378.1 Ų78.12%0.0238%0.381CS..Hα-helixtrans-63-34.4176.5-70.10000112.2L774 R787 L788 V794 A795L774-C791 HydrophobicContact CD2-CB 3.83Å; L774-C791 HydrophobicContact CG-CB 4.26Å; R787-C791 PolarHBondContact O-N 3.37Å; R787-C791 PolarHBondContact O-SG 2.97Å; L788-C791 PolarHBondContact O-N 3.05Å; C791-V794 PolarHBondContact O-N 3.26Å; C791-A795 VanDerWaalsContact O-CB 3.28Å; C791-A795 WeakPolarHBondContact O-CB 3.45Å; C791-A795 PolarHBondContact O-N 3.15Å
792N85.3Confident76.3Confident70 Ų7071.9 Ų71.937%0.37436%0.356SS..Hα-helixtrans-66.6-37.7174.9-74.9-31.1000111.7L774 L788 E789 C790 A795 A796L774-N792 VanDerWaalsContact CD2-OD1 3.22Å; L774-N792 WeakPolarHBondContact CD2-OD1 3.46Å; L788-N792 VanDerWaalsContact O-CB 3.25Å; L788-N792 WeakPolarHBondContact O-CB 3.48Å; L788-N792 PolarHBondContact O-N 3.33Å; L788-N792 PolarHBondContact O-ND2 2.96Å; E789-N792 WeakPolarHBondContact O-CB 3.37Å; E789-N792 PolarHBondContact O-N 3.2Å; C790-N792 VanDerWaalsContact C-N 3.27Å; C790-N792 PolarHBondContact O-N 3.13Å; N792-A795 PolarHBondContact O-N 3.16Å; N792-A796 WeakPolarHBondContact O-CB 3.29Å; N792-A796 PolarHBondContact O-N 2.92Å
793Q87.8Confident78.5Confident113 Ų11366.6 Ų66.653%0.52834%0.339SS..Hα-helixtrans-62.7-48.8173.8-78.4179.3-11.900111.5T752 E789 C790 A795 A796 V797T752-Q793 HydrophobicContact CG2-CB 4.19Å; E789-Q793 PolarHBondContact O-N 3.13Å; C790-Q793 WeakPolarHBondContact O-CB 3.26Å; C790-Q793 PolarHBondContact O-N 2.94Å; C790-Q793 VanDerWaalsContact O-N 3.17Å; Q793-A795 VanDerWaalsContact C-N 3.3Å; Q793-A795 PolarHBondContact O-N 3.19Å; Q793-A796 WeakPolarHBondContact O-CB 3.23Å; Q793-A796 PolarHBondContact O-N 3.37Å; Q793-A796 VanDerWaalsContact O-N 3.12Å; Q793-V797 PolarHBondContact O-N 3.2Å; Q793-V797 VanDerWaalsContact O-N 3.12Å
794V87.3Confident80.4Confident0 Ų070.3 Ų70.30%035%0.353CS..Hα-helixtrans-60.9-41.9176.9-179.80000110.9T752 L755 A759 V766 T770 C790 C791 A796 V797 L798T752-V794 HydrophobicContact CG2-CG2 4.17Å; L755-V794 HydrophobicContact CB-CG2 3.88Å; A759-V794 HydrophobicContact CB-CG1 4.23Å; V766-V794 HydrophobicContact CG1-CG1 3.72Å; T770-V794 HydrophobicContact CG2-CB 4.13Å; T770-V794 HydrophobicContact CG2-CG1 4.03Å; C790-V794 PolarHBondContact O-N 3.29Å; C790-V794 VanDerWaalsContact O-N 3.09Å; C791-V794 PolarHBondContact O-N 3.26Å; V794-A796 VanDerWaalsContact C-N 3.33Å; V794-A796 PolarHBondContact O-N 3.4Å; V794-V797 PolarHBondContact O-N 3.43Å; V794-L798 HydrophobicContact CG1-CD1 4.36Å; V794-L798 WeakPolarHBondContact O-CG 3.45Å; V794-L798 PolarHBondContact O-N 2.9Å
795A86.1Confident82.1Confident2 Ų263 Ų632%0.01732%0.322CS..Hα-helixtrans-66.7-31.2176.300000113.5T770 L774 C791 N792 Q793 L798 R799T770-A795 HydrophobicContact CG2-CB 4.08Å; L774-A795 HydrophobicContact CD1-CB 3.58Å; C791-A795 VanDerWaalsContact O-CB 3.28Å; C791-A795 WeakPolarHBondContact O-CB 3.45Å; C791-A795 PolarHBondContact O-N 3.15Å; N792-A795 PolarHBondContact O-N 3.16Å; Q793-A795 VanDerWaalsContact C-N 3.3Å; Q793-A795 PolarHBondContact O-N 3.19Å; A795-L798 PolarHBondContact O-N 3.47Å; A795-R799 WeakPolarHBondContact O-CB 3.46Å; A795-R799 WeakPolarHBondContact O-CG 3.09Å; A795-R799 PolarHBondContact O-N 2.94Å
796A89.1Confident83.5Confident43 Ų4355.2 Ų55.236%0.35529%0.286SS..Hα-helixtrans-65.3-42.7173.800000110.9N792 Q793 V794 R799 N800N792-A796 WeakPolarHBondContact O-CB 3.29Å; N792-A796 PolarHBondContact O-N 2.92Å; Q793-A796 WeakPolarHBondContact O-CB 3.23Å; Q793-A796 PolarHBondContact O-N 3.37Å; Q793-A796 VanDerWaalsContact O-N 3.12Å; V794-A796 VanDerWaalsContact C-N 3.33Å; V794-A796 PolarHBondContact O-N 3.4Å; A796-R799 PolarHBondContact O-N 2.92Å; A796-N800 PolarHBondContact O-N 3.11Å; A796-N800 PolarHBondContact O-ND2 3.43Å; A796-N800 PolarHBondContact O-OD1 3.48Å
797V89.8Confident84.9Confident24 Ų2454.9 Ų54.915%0.14529%0.29CS..Hα-helixtrans-60.1-47.7173.6175.90000110.8C756 A759 E760 Q793 V794 R799 N800 S801C756-V797 HydrophobicContact CB-CG2 4.1Å; A759-V797 HydrophobicContact CB-CG1 4.06Å; E760-V797 HydrophobicContact CG-CG1 3.54Å; Q793-V797 PolarHBondContact O-N 3.2Å; Q793-V797 VanDerWaalsContact O-N 3.12Å; V794-V797 PolarHBondContact O-N 3.43Å; V797-R799 VanDerWaalsContact C-N 3.31Å; V797-R799 PolarHBondContact O-N 3.2Å; V797-N800 WeakPolarHBondContact O-CB 3.18Å; V797-N800 PolarHBondContact O-N 3Å; V797-N800 VanDerWaalsContact O-N 3.12Å; V797-S801 PolarHBondContact O-N 3.11Å; V797-S801 VanDerWaalsContact O-N 3.13Å; V797-S801 PolarHBondContact O-OG 2.65Å
798L87.6Confident86.1Confident4 Ų453.9 Ų53.92%0.02129%0.289CS..Hα-helixtrans-60.2-38.9176.8-69.4169.5000112.7A759 P763 L767 T770 V794 A795 N800 S801 N802 V806A759-L798 HydrophobicContact CB-CD2 3.73Å; A759-L798 HydrophobicContact CB-CG 3.98Å; P763-L798 HydrophobicContact CB-CD2 3.72Å; L767-L798 HydrophobicContact CD1-CD1 4.42Å; T770-L798 HydrophobicContact CG2-CD1 4.36Å; V794-L798 HydrophobicContact CG1-CD1 4.36Å; V794-L798 WeakPolarHBondContact O-CG 3.45Å; V794-L798 PolarHBondContact O-N 2.9Å; A795-L798 PolarHBondContact O-N 3.47Å; L798-N800 VanDerWaalsContact C-N 3.34Å; L798-S801 PolarHBondContact O-N 3.08Å; L798-N802 PolarHBondContact O-N 3.49Å; L798-V806 HydrophobicContact CB-CG2 3.79Å
799R89.8Confident86.9Confident122 Ų12253 Ų5346%0.4628%0.284SS..Hα-helixtrans-68-33.4176.2-77.9-179.8-158161.17.2112.7A795 A796 V797 S801 P803 V806A795-R799 WeakPolarHBondContact O-CB 3.46Å; A795-R799 WeakPolarHBondContact O-CG 3.09Å; A795-R799 PolarHBondContact O-N 2.94Å; A796-R799 PolarHBondContact O-N 2.92Å; V797-R799 VanDerWaalsContact C-N 3.31Å; V797-R799 PolarHBondContact O-N 3.2Å; R799-S801 VanDerWaalsContact C-N 3.32Å; R799-P803 WeakPolarHBondContact O-CA 3.47Å; R799-P803 WeakPolarHBondContact O-CB 3.24Å; R799-P803 VanDerWaalsContact O-CD 3.22Å; R799-P803 WeakPolarHBondContact O-CD 3.15Å; R799-P803 VanDerWaalsContact O-N 3.16Å; R799-V806 HydrophobicContact CG-CB 4.04Å; R799-V806 HydrophobicContact CG-CG1 3.8Å; R799-V806 HydrophobicContact CG-CG2 4.21Å
800N89.3Confident87.3Confident141 Ų14150.4 Ų50.475%0.75427%0.273SS*.Hα-helixtrans-67.2-38.1176.2-67.5-15.9000110.9A796 V797 L798A796-N800 PolarHBondContact O-N 3.11Å; A796-N800 PolarHBondContact O-ND2 3.43Å; A796-N800 PolarHBondContact O-OD1 3.48Å; V797-N800 WeakPolarHBondContact O-CB 3.18Å; V797-N800 PolarHBondContact O-N 3Å; V797-N800 VanDerWaalsContact O-N 3.12Å; L798-N800 VanDerWaalsContact C-N 3.34Å
801S85.5Confident87.6Confident68 Ų6852.2 Ų52.248%0.47628%0.282SS..Hα-helixtrans-70.9-49.7177.3-55.20000112.5V797 L798 R799V797-S801 PolarHBondContact O-N 3.11Å; V797-S801 VanDerWaalsContact O-N 3.13Å; V797-S801 PolarHBondContact O-OG 2.65Å; L798-S801 PolarHBondContact O-N 3.08Å; R799-S801 VanDerWaalsContact C-N 3.32Å
802N85.7Confident87.9Confident44 Ų4452.8 Ų52.824%0.23528%0.284CS..  trans-152.294.9177.4-169.3-21.5000111.4L798 K804 L805 V806 E966L798-N802 PolarHBondContact O-N 3.49Å; N802-K804 VanDerWaalsContact C-N 3.3Å; N802-K804 PolarHBondContact O-N 3.49Å; N802-K804 PolarHBondContact OD1-N 3.31Å; N802-L805 HydrophobicContact CB-CB 3.85Å; N802-L805 HydrophobicContact CB-CD2 4.42Å; N802-L805 VanDerWaalsContact CG-CB 3.41Å; N802-L805 PolarHBondContact O-N 3.46Å; N802-L805 PolarHBondContact OD1-N 3.03Å; N802-V806 WeakPolarHBondContact O-CG2 3.23Å; N802-V806 PolarHBondContact O-N 3.07Å; N802-E966 PolarHBondContact ND2-OE2 3.05Å
803P87Confident88.2Confident86 Ų8649.9 Ų49.956%0.55827%0.268SS*.Hα-helixtrans-68.4-32.1-175.725.9-32.1000112.1R799 V806 S807R799-P803 WeakPolarHBondContact O-CA 3.47Å; R799-P803 WeakPolarHBondContact O-CB 3.24Å; R799-P803 VanDerWaalsContact O-CD 3.22Å; R799-P803 WeakPolarHBondContact O-CD 3.15Å; R799-P803 VanDerWaalsContact O-N 3.16Å; P803-V806 PolarHBondContact O-N 3.28Å; P803-S807 WeakPolarHBondContact O-CB 3.16Å; P803-S807 PolarHBondContact O-N 3.31Å
804K87.4Confident88.1Confident131 Ų13146.2 Ų46.257%0.5726%0.255SS*.Hα-helixtrans-67.8-47.9179.5-171.2-178.5176.6-171.90110.7N802 V806 S807 D808N802-K804 VanDerWaalsContact C-N 3.3Å; N802-K804 PolarHBondContact O-N 3.49Å; N802-K804 PolarHBondContact OD1-N 3.31Å; K804-V806 VanDerWaalsContact C-N 3.3Å; K804-V806 PolarHBondContact O-N 3.4Å; K804-S807 PolarHBondContact O-N 3.15Å; K804-D808 WeakPolarHBondContact O-CB 3.35Å; K804-D808 VanDerWaalsContact O-CG 3.28Å; K804-D808 PolarHBondContact O-N 2.96Å
805L88.4Confident88.2Confident18 Ų1846.5 Ų46.59%0.09426%0.256CS..Hα-helixtrans-54.5-46.4175.1173.362000111.9L767 N802 D808 T809 E966 I967L767-L805 HydrophobicContact CD1-CG 4.49Å; L767-L805 HydrophobicContact CD2-CD1 4.08Å; L767-L805 HydrophobicContact CD2-CD2 4.21Å; L767-L805 HydrophobicContact CD2-CG 4.1Å; N802-L805 HydrophobicContact CB-CB 3.85Å; N802-L805 HydrophobicContact CB-CD2 4.42Å; N802-L805 VanDerWaalsContact CG-CB 3.41Å; N802-L805 PolarHBondContact O-N 3.46Å; N802-L805 PolarHBondContact OD1-N 3.03Å; L805-D808 PolarHBondContact O-N 3.05Å; L805-T809 VanDerWaalsContact O-CB 3.27Å; L805-T809 WeakPolarHBondContact O-CB 3.18Å; L805-T809 PolarHBondContact O-N 3.02Å; L805-T809 PolarHBondContact O-OG1 3.19Å; L805-E966 HydrophobicContact CD1-CB 4.27Å; L805-E966 WeakPolarHBondContact CD1-O 3.24Å; L805-I967 HydrophobicContact CD1-CG1 4.36Å
806V87.9Confident88.4Confident4 Ų448.9 Ų48.92%0.02427%0.269CS..Hα-helixtrans-64.8-44179.8176.30000111.1L767 I771 L798 R799 N802 P803 K804 T809 I810L767-V806 HydrophobicContact CD1-CG2 4.19Å; I771-V806 HydrophobicContact CD1-CG1 4.31Å; L798-V806 HydrophobicContact CB-CG2 3.79Å; R799-V806 HydrophobicContact CG-CB 4.04Å; R799-V806 HydrophobicContact CG-CG1 3.8Å; R799-V806 HydrophobicContact CG-CG2 4.21Å; N802-V806 WeakPolarHBondContact O-CG2 3.23Å; N802-V806 PolarHBondContact O-N 3.07Å; P803-V806 PolarHBondContact O-N 3.28Å; K804-V806 VanDerWaalsContact C-N 3.3Å; K804-V806 PolarHBondContact O-N 3.4Å; V806-T809 PolarHBondContact O-N 2.93Å; V806-I810 HydrophobicContact CG1-CD1 3.82Å; V806-I810 HydrophobicContact CG1-CG1 4.43Å; V806-I810 VanDerWaalsContact O-CG1 3.24Å; V806-I810 WeakPolarHBondContact O-CG1 3.29Å; V806-I810 PolarHBondContact O-N 3.45Å
807S87.5Confident88.2Confident73 Ų7350 Ų5051%0.5127%0.267SS..Hα-helixtrans-61.7-48.6176.8-175.40000112P803 K804 T809 I810 M811P803-S807 WeakPolarHBondContact O-CB 3.16Å; P803-S807 PolarHBondContact O-N 3.31Å; K804-S807 PolarHBondContact O-N 3.15Å; S807-T809 VanDerWaalsContact C-N 3.27Å; S807-T809 PolarHBondContact O-N 3.44Å; S807-I810 PolarHBondContact O-N 3.13Å; S807-M811 PolarHBondContact O-N 3.37Å
808D88.3Confident88Confident39 Ų3952.5 Ų52.521%0.20927%0.273CS..Hα-helixtrans-62.3-38179.6-69.7-7.4000110.7K804 L805 M811 F812 I967K804-D808 WeakPolarHBondContact O-CB 3.35Å; K804-D808 VanDerWaalsContact O-CG 3.28Å; K804-D808 PolarHBondContact O-N 2.96Å; L805-D808 PolarHBondContact O-N 3.05Å; D808-M811 PolarHBondContact O-N 2.85Å; D808-F812 VanDerWaalsContact O-CB 3.27Å; D808-F812 WeakPolarHBondContact O-CB 3.3Å; D808-F812 PolarHBondContact O-N 3.2Å; D808-I967 HydrophobicContact CB-CD1 4.12Å; D808-I967 HydrophobicContact CB-CG1 4.21Å
809T89.3Confident88Confident0 Ų052.6 Ų52.60%027%0.274CS..Hα-helixtrans-72.7-36.8178.1-52.60000112.4L767 F768 I771 L805 V806 S807 F812 I813L767-T809 HydrophobicContact CD2-CG2 4.04Å; L767-T809 HydrophobicContact CG-CG2 4.08Å; F768-T809 HydrophobicContact CD1-CG2 4.37Å; F768-T809 HydrophobicContact CE1-CG2 4.07Å; F768-T809 HydrophobicContact CZ-CG2 4.47Å; I771-T809 HydrophobicContact CD1-CG2 3.55Å; L805-T809 VanDerWaalsContact O-CB 3.27Å; L805-T809 WeakPolarHBondContact O-CB 3.18Å; L805-T809 PolarHBondContact O-N 3.02Å; L805-T809 PolarHBondContact O-OG1 3.19Å; V806-T809 PolarHBondContact O-N 2.93Å; S807-T809 VanDerWaalsContact C-N 3.27Å; S807-T809 PolarHBondContact O-N 3.44Å; T809-F812 PolarHBondContact O-N 3.41Å; T809-I813 HydrophobicContact CG2-CD1 3.9Å; T809-I813 HydrophobicContact CG2-CG1 4.44Å; T809-I813 WeakPolarHBondContact O-CB 3.28Å; T809-I813 WeakPolarHBondContact O-CG1 3.34Å; T809-I813 PolarHBondContact O-N 3.46Å
810I88.6Confident87.7Confident65 Ų6552.3 Ų52.333%0.33328%0.279SS..Hα-helixtrans-61.1-47.6171.9-72.2164.1000109.7I771 V806 S807 I813 S814I771-I810 HydrophobicContact CD1-CG1 4.3Å; I771-I810 HydrophobicContact CG1-CG1 4.42Å; I771-I810 HydrophobicContact CG2-CB 4.43Å; I771-I810 HydrophobicContact CG2-CG1 3.65Å; V806-I810 HydrophobicContact CG1-CD1 3.82Å; V806-I810 HydrophobicContact CG1-CG1 4.43Å; V806-I810 VanDerWaalsContact O-CG1 3.24Å; V806-I810 WeakPolarHBondContact O-CG1 3.29Å; V806-I810 PolarHBondContact O-N 3.45Å; S807-I810 PolarHBondContact O-N 3.13Å; I810-I813 PolarHBondContact O-N 2.94Å; I810-S814 WeakPolarHBondContact O-CB 3.22Å; I810-S814 PolarHBondContact O-N 3.27Å; I810-S814 PolarHBondContact O-OG 2.72Å
811M88.5Confident87.3Confident47 Ų4749.9 Ų49.923%0.23227%0.265CS..Hα-helixtrans-59.1-50.4176.4-176.6-82.2-70.800110.4S807 D808 I813 S814 E815 N958 L962S807-M811 PolarHBondContact O-N 3.37Å; D808-M811 PolarHBondContact O-N 2.85Å; M811-I813 PolarHBondContact O-N 3.41Å; M811-S814 WeakPolarHBondContact CA-OG 3.41Å; M811-S814 PolarHBondContact O-N 2.92Å; M811-S814 VanDerWaalsContact O-N 3.14Å; M811-S814 PolarHBondContact O-OG 3.46Å; M811-E815 HydrophobicContact CG-CG 4.47Å; M811-E815 WeakPolarHBondContact O-CG 3.14Å; M811-E815 PolarHBondContact O-N 2.84Å; M811-E815 HydrophobicContact SD-CG 3.73Å; M811-N958 HydrophobicContact SD-CB 3.78Å; M811-L962 HydrophobicContact CE-CD1 4.21Å; M811-L962 HydrophobicContact CE-CD2 3.45Å; M811-L962 VanDerWaalsContact CE-CD2 3.45Å; M811-L962 HydrophobicContact CE-CG 4.08Å
812F90.4Very high87.4Confident14 Ų1447.2 Ų47.26%0.06125%0.246CC..Hα-helixtrans-54.4-48.4177.8178.1-104.8000112.9F768 D808 T809 E815 L816 L959 L962 I967 L981 F1002F768-F812 HydrophobicContact CE1-CD1 4.31Å; F768-F812 HydrophobicContact CE1-CE1 4.23Å; D808-F812 VanDerWaalsContact O-CB 3.27Å; D808-F812 WeakPolarHBondContact O-CB 3.3Å; D808-F812 PolarHBondContact O-N 3.2Å; T809-F812 PolarHBondContact O-N 3.41Å; F812-E815 PolarHBondContact O-N 3.05Å; F812-L816 HydrophobicContact CD1-CD1 3.92Å; F812-L816 HydrophobicContact CE1-CD1 3.36Å; F812-L816 HydrophobicContact CE1-CG 4.24Å; F812-L816 HydrophobicContact CE2-CD1 4.26Å; F812-L816 HydrophobicContact CE2-CG 4.38Å; F812-L816 HydrophobicContact CZ-CD1 3.56Å; F812-L816 HydrophobicContact CZ-CD2 4.48Å; F812-L816 HydrophobicContact CZ-CG 4.15Å; F812-L816 WeakPolarHBondContact O-CB 3.42Å; F812-L816 WeakPolarHBondContact O-CG 3.46Å; F812-L816 PolarHBondContact O-N 2.72Å; F812-L959 HydrophobicContact CD2-CD2 3.37Å; F812-L959 HydrophobicContact CE2-CD2 3.8Å; F812-L959 HydrophobicContact CG-CD2 4.34Å; F812-L962 HydrophobicContact CD2-CD1 3.9Å; F812-I967 HydrophobicContact CB-CD1 3.84Å; F812-I967 HydrophobicContact CD2-CD1 4.46Å; F812-I967 HydrophobicContact CG-CD1 4.13Å; F812-L981 HydrophobicContact CD2-CD2 4.27Å; F812-L981 HydrophobicContact CE2-CD2 3.88Å; F812-L981 HydrophobicContact CZ-CD2 4.5Å; F812-F1002 HydrophobicContact CE2-CE1 4.24Å; F812-F1002 HydrophobicContact CE2-CZ 4.45Å; F812-F1002 HydrophobicContact CZ-CE1 4.24Å; F812-F1002 HydrophobicContact CZ-CZ 4.05Å
813I90.1Very high87.4Confident9 Ų945.9 Ų45.95%0.04624%0.237CC..Hα-helixtrans-67-38.9178.8-71166.7000111.5F768 I771 V772 H775 T809 I810 M811 E815 L816 H817F768-I813 HydrophobicContact CD1-CD1 4Å; F768-I813 HydrophobicContact CD1-CG1 4.47Å; F768-I813 HydrophobicContact CE1-CD1 4.48Å; I771-I813 HydrophobicContact CB-CD1 3.78Å; I771-I813 HydrophobicContact CG2-CD1 3.48Å; I771-I813 VanDerWaalsContact CG2-CD1 3.48Å; V772-I813 HydrophobicContact CG2-CD1 4.03Å; H775-I813 HydrophobicContact CB-CG2 4.43Å; T809-I813 HydrophobicContact CG2-CD1 3.9Å; T809-I813 HydrophobicContact CG2-CG1 4.44Å; T809-I813 WeakPolarHBondContact O-CB 3.28Å; T809-I813 WeakPolarHBondContact O-CG1 3.34Å; T809-I813 PolarHBondContact O-N 3.46Å; I810-I813 PolarHBondContact O-N 2.94Å; M811-I813 PolarHBondContact O-N 3.41Å; I813-E815 VanDerWaalsContact C-N 3.34Å; I813-L816 PolarHBondContact O-N 2.98Å; I813-H817 WeakPolarHBondContact O-CB 3.38Å; I813-H817 PolarHBondContact O-N 3.42Å
814S87.3Confident87.2Confident37 Ų3741.8 Ų41.826%0.25921%0.211SC..Hα-helixtrans-64.7-4017871.10000111.9I810 M811 H817 R818I810-S814 WeakPolarHBondContact O-CB 3.22Å; I810-S814 PolarHBondContact O-N 3.27Å; I810-S814 PolarHBondContact O-OG 2.72Å; M811-S814 WeakPolarHBondContact CA-OG 3.41Å; M811-S814 PolarHBondContact O-N 2.92Å; M811-S814 VanDerWaalsContact O-N 3.14Å; M811-S814 PolarHBondContact O-OG 3.46Å; S814-H817 PolarHBondContact O-N 2.8Å; S814-R818 WeakPolarHBondContact O-CB 3.3Å; S814-R818 PolarHBondContact O-N 3.28Å
815E89.2Confident87Confident5 Ų536.8 Ų36.82%0.02319%0.19CC..Hα-helixtrans-70.3-40.6176-69.9-62.7144.500112M811 F812 I813 H817 R818 I819 S956 N958 L959M811-E815 HydrophobicContact CG-CG 4.47Å; M811-E815 WeakPolarHBondContact O-CG 3.14Å; M811-E815 PolarHBondContact O-N 2.84Å; M811-E815 HydrophobicContact SD-CG 3.73Å; F812-E815 PolarHBondContact O-N 3.05Å; I813-E815 VanDerWaalsContact C-N 3.34Å; E815-H817 VanDerWaalsContact C-N 3.3Å; E815-H817 PolarHBondContact O-N 3.2Å; E815-R818 WeakPolarHBondContact O-CB 3.42Å; E815-R818 PolarHBondContact O-N 2.79Å; E815-R818 VanDerWaalsContact O-N 3.15Å; E815-R818 IonicContact OE1-NE 2.65Å; E815-R818 IonicContact OE2-NE 3.95Å; E815-I819 WeakPolarHBondContact O-CG1 3.1Å; E815-I819 PolarHBondContact O-N 3.17Å; E815-S956 WeakPolarHBondContact OE2-CB 3.4Å; E815-S956 PolarHBondContact OE2-OG 2.83Å; E815-N958 HydrophobicContact CG-CB 3.8Å; E815-N958 PolarHBondContact OE1-ND2 3Å; E815-L959 HydrophobicContact CB-CD1 3.81Å; E815-L959 HydrophobicContact CB-CD2 3.97Å; E815-L959 HydrophobicContact CB-CG 3.6Å; E815-L959 HydrophobicContact CG-CG 4.31Å
816L89.9Confident86.9Confident52 Ų5238.5 Ų38.527%0.27220%0.198SC..Hα-helixtrans-59-41.8171.8-76-177000111.9F812 I813 I819 M820 L959 L1000 F1002F812-L816 HydrophobicContact CD1-CD1 3.92Å; F812-L816 HydrophobicContact CE1-CD1 3.36Å; F812-L816 HydrophobicContact CE1-CG 4.24Å; F812-L816 HydrophobicContact CE2-CD1 4.26Å; F812-L816 HydrophobicContact CE2-CG 4.38Å; F812-L816 HydrophobicContact CZ-CD1 3.56Å; F812-L816 HydrophobicContact CZ-CD2 4.48Å; F812-L816 HydrophobicContact CZ-CG 4.15Å; F812-L816 WeakPolarHBondContact O-CB 3.42Å; F812-L816 WeakPolarHBondContact O-CG 3.46Å; F812-L816 PolarHBondContact O-N 2.72Å; I813-L816 PolarHBondContact O-N 2.98Å; L816-I819 HydrophobicContact CD2-CD1 4.11Å; L816-I819 WeakPolarHBondContact O-CG1 3.3Å; L816-M820 PolarHBondContact O-N 2.89Å; L816-M820 VanDerWaalsContact O-N 3.16Å; L816-L959 HydrophobicContact CD2-CD1 4.19Å; L816-L1000 HydrophobicContact CD2-CD1 3.7Å; L816-F1002 HydrophobicContact CD2-CZ 4.46Å
817H84.8Confident86.8Confident68 Ų6838.4 Ų38.432%0.31520%0.198SC..Hα-helixtrans-63.4-42.5173.5-105.4102000111.9H775 I813 S814 E815 I819 M820H775-H817 AromaticContact CE1-CG 3.71Å; H775-H817 AromaticContact CE1-ND1 3.76Å; H775-H817 AromaticContact ND1-CE1 3.88Å; H775-H817 AromaticContact ND1-CG 3.89Å; H775-H817 AromaticContact ND1-ND1 3.52Å; I813-H817 WeakPolarHBondContact O-CB 3.38Å; I813-H817 PolarHBondContact O-N 3.42Å; S814-H817 PolarHBondContact O-N 2.8Å; E815-H817 VanDerWaalsContact C-N 3.3Å; E815-H817 PolarHBondContact O-N 3.2Å; H817-I819 PolarHBondContact O-N 2.95Å; H817-M820 VanDerWaalsContact O-CB 3.3Å; H817-M820 WeakPolarHBondContact O-CB 3.43Å; H817-M820 PolarHBondContact O-N 3.36Å
818R84.9Confident86.6Confident76 Ų7636 Ų3629%0.28718%0.179SC..Hα-helixtrans-60.1-44.1178.3-174-170.9-67.1-102.72.5111.7S814 E815 M820 E894 E898S814-R818 WeakPolarHBondContact O-CB 3.3Å; S814-R818 PolarHBondContact O-N 3.28Å; E815-R818 WeakPolarHBondContact O-CB 3.42Å; E815-R818 PolarHBondContact O-N 2.79Å; E815-R818 VanDerWaalsContact O-N 3.15Å; E815-R818 IonicContact OE1-NE 2.65Å; E815-R818 IonicContact OE2-NE 3.95Å; R818-M820 VanDerWaalsContact C-N 3.32Å; R818-M820 PolarHBondContact O-N 3.47Å; R818-E894 VanDerWaalsContact CZ-CD 3.5Å; R818-E894 IonicContact CZ-OE1 3.22Å; R818-E894 VanDerWaalsContact CZ-OE1 3.3Å; R818-E894 IonicContact CZ-OE2 3.04Å; R818-E894 VanDerWaalsContact CZ-OE2 3.31Å; R818-E894 IonicContact NH1-OE1 3.05Å; R818-E894 PolarHBondContact NH1-OE1 2.7Å; R818-E894 IonicContact NH1-OE2 3.16Å; R818-E894 PolarHBondContact NH1-OE2 3.06Å; R818-E894 IonicContact NH2-OE1 3.87Å; R818-E894 PolarHBondContact NH2-OE1 2.81Å; R818-E894 IonicContact NH2-OE2 2.65Å; R818-E894 PolarHBondContact NH2-OE2 3.2Å; R818-E898 IonicContact NH1-OE1 3.95Å; R818-E898 IonicContact NH1-OE2 2.73Å
819I87.1Confident86.3Confident6 Ų637.1 Ų37.13%0.03119%0.194CC..Hα-helixtrans-80.6-11-178.667.7175.7000113.6E815 L816 H817 L821 I952 I955 L959 K998 L1000E815-I819 WeakPolarHBondContact O-CG1 3.1Å; E815-I819 PolarHBondContact O-N 3.17Å; L816-I819 HydrophobicContact CD2-CD1 4.11Å; L816-I819 WeakPolarHBondContact O-CG1 3.3Å; H817-I819 PolarHBondContact O-N 2.95Å; I819-L821 VanDerWaalsContact C-N 3.32Å; I819-L821 PolarHBondContact O-N 2.75Å; I819-I952 HydrophobicContact CD1-CD1 4.46Å; I819-I955 HydrophobicContact CG2-CB 4.24Å; I819-I955 HydrophobicContact CG2-CD1 4.36Å; I819-I955 HydrophobicContact CG2-CG1 4.28Å; I819-I955 WeakPolarHBondContact CG2-O 3.43Å; I819-L959 HydrophobicContact CD1-CD1 3.85Å; I819-K998 WeakPolarHBondContact O-CD 3.41Å; I819-K998 WeakPolarHBondContact O-CE 3.46Å; I819-K998 PolarHBondContact O-NZ 3.4Å; I819-L1000 HydrophobicContact CD1-CD1 3.87Å; I819-L1000 HydrophobicContact CD1-CD2 4.3Å
820M83.7Confident86Confident116 Ų11638 Ų3857%0.57120%0.199SC*.Hα-helixtrans-55-49.4-179.5-174.5175.762.200111.1L816 H817 R818 K998L816-M820 PolarHBondContact O-N 2.89Å; L816-M820 VanDerWaalsContact O-N 3.16Å; H817-M820 VanDerWaalsContact O-CB 3.3Å; H817-M820 WeakPolarHBondContact O-CB 3.43Å; H817-M820 PolarHBondContact O-N 3.36Å; R818-M820 VanDerWaalsContact C-N 3.32Å; R818-M820 PolarHBondContact O-N 3.47Å; M820-K998 PolarHBondContact O-NZ 3Å
821L82.5Confident85.6Confident89 Ų8935.3 Ų35.347%0.46618%0.184SC..SBendtrans-127.5115.3172.1-71.2168.1000109.7I819 E825 I826I819-L821 VanDerWaalsContact C-N 3.32Å; I819-L821 PolarHBondContact O-N 2.75Å; L821-E825 WeakPolarHBondContact CA-OE2 3.22Å; L821-E825 HydrophobicContact CD2-CB 4.16Å; L821-I826 HydrophobicContact CB-CD1 4.35Å; L821-I826 HydrophobicContact CB-CG1 3.76Å
822L85.8Confident85.1Confident12 Ų1235.6 Ų35.66%0.06319%0.191CC..  trans-67.8153.7173.8-60.2169.4000109.7E824 E825 I826 I955L822-E824 HydrophobicContact CB-CG 4.17Å; L822-E824 PolarHBondContact O-N 3.29Å; L822-E824 VanDerWaalsContact O-N 3.11Å; L822-E825 HydrophobicContact CB-CG 4.19Å; L822-E825 PolarHBondContact N-OE2 3.01Å; L822-E825 WeakPolarHBondContact O-CA 2.87Å; L822-E825 WeakPolarHBondContact O-CB 3.46Å; L822-E825 PolarHBondContact O-N 3.06Å; L822-I826 PolarHBondContact O-N 3.38Å; L822-I955 HydrophobicContact CD2-CB 4.38Å; L822-I955 HydrophobicContact CD2-CG2 4.01Å
823R85.9Confident84.5Confident16 Ų1639.9 Ų39.96%0.0621%0.211CC..Hα-helixtrans-50.2-42.9-178.6-63.7-175.4-175.2-166.6-0.2112.2I826 W827 T889 A891 A892 E898 F901 N902R823-I826 PolarHBondContact O-N 3.43Å; R823-W827 PolarHBondContact O-N 2.88Å; R823-T889 HydrophobicContact CB-CG2 4.46Å; R823-T889 HydrophobicContact CG-CG2 4.34Å; R823-T889 PolarHBondContact NH1-O 3.15Å; R823-A891 PolarHBondContact NH1-O 2.72Å; R823-A891 VanDerWaalsContact NH1-O 3.08Å; R823-A892 PolarHBondContact NH2-O 3Å; R823-E898 HydrophobicContact CG-CG 4.36Å; R823-E898 IonicContact CZ-OE1 2.83Å; R823-E898 IonicContact CZ-OE2 2.72Å; R823-E898 VanDerWaalsContact NE-CG 3.28Å; R823-E898 IonicContact NE-OE1 3.07Å; R823-E898 PolarHBondContact NE-OE1 3.45Å; R823-E898 IonicContact NE-OE2 2.72Å; R823-E898 IonicContact NH2-OE1 3.98Å; R823-E898 PolarHBondContact NH2-OE1 2.8Å; R823-E898 IonicContact NH2-OE2 2.8Å; R823-E898 PolarHBondContact NH2-OE2 2.81Å; R823-F901 HydrophobicContact CB-CD1 3.97Å; R823-F901 HydrophobicContact CB-CD2 4.1Å; R823-F901 HydrophobicContact CB-CE1 3.99Å; R823-F901 HydrophobicContact CB-CE2 4.09Å; R823-F901 HydrophobicContact CB-CG 4.05Å; R823-F901 HydrophobicContact CB-CZ 4.06Å; R823-N902 PolarHBondContact NH1-OD1 3.35Å; R823-N902 VanDerWaalsContact NH1-OD1 3.1Å
824E84.3Confident83.6Confident1 Ų140 Ų401%0.00521%0.212CC..Hα-helixtrans-64.9-35.6175.655.7-150.3-113.400114.9L822 W827 L828 F901 L938 R941 Q945L822-E824 HydrophobicContact CB-CG 4.17Å; L822-E824 PolarHBondContact O-N 3.29Å; L822-E824 VanDerWaalsContact O-N 3.11Å; E824-W827 PolarHBondContact O-N 2.93Å; E824-L828 WeakPolarHBondContact O-CB 2.91Å; E824-L828 VanDerWaalsContact O-CG 3.27Å; E824-L828 WeakPolarHBondContact O-CG 3.49Å; E824-L828 PolarHBondContact O-N 2.72Å; E824-F901 HydrophobicContact CB-CD2 4.11Å; E824-F901 HydrophobicContact CB-CE2 4.12Å; E824-L938 HydrophobicContact CB-CD2 3.85Å; E824-R941 IonicContact OE1-NE 3.71Å; E824-R941 IonicContact OE1-NH2 2.58Å; E824-R941 IonicContact OE2-CZ 2.63Å; E824-R941 VanDerWaalsContact OE2-CZ 3.22Å; E824-R941 IonicContact OE2-NE 3.55Å; E824-R941 PolarHBondContact OE2-NE 3.35Å; E824-R941 IonicContact OE2-NH2 3.83Å; E824-R941 PolarHBondContact OE2-NH2 2.86Å; E824-Q945 PolarHBondContact OE1-OE1 3.37Å; E824-Q945 VanDerWaalsContact OE1-OE1 3.09Å
825E83.4Confident82.8Confident26 Ų2639.8 Ų39.812%0.12121%0.208CC..Hα-helixtrans-69.3-40.5176.4-63.7172.5144.800110.9L821 L822 L828 A829 K998L821-E825 WeakPolarHBondContact CA-OE2 3.22Å; L821-E825 HydrophobicContact CD2-CB 4.16Å; L822-E825 HydrophobicContact CB-CG 4.19Å; L822-E825 PolarHBondContact N-OE2 3.01Å; L822-E825 WeakPolarHBondContact O-CA 2.87Å; L822-E825 WeakPolarHBondContact O-CB 3.46Å; L822-E825 PolarHBondContact O-N 3.06Å; E825-L828 PolarHBondContact O-N 3.42Å; E825-A829 WeakPolarHBondContact O-CB 3.3Å; E825-A829 PolarHBondContact O-N 3.44Å; E825-K998 IonicContact OE1-NZ 2.73Å; E825-K998 PolarHBondContact OE1-NZ 2.92Å; E825-K998 IonicContact OE2-NZ 2.69Å; E825-K998 PolarHBondContact OE2-NZ 2.89Å
826I85Confident81.7Confident54 Ų5445 Ų4528%0.27724%0.236SC..Hα-helixtrans-57.8-50.8173.1-60.4172.7000109.5L821 L822 R823 A829 L830 V885L821-I826 HydrophobicContact CB-CD1 4.35Å; L821-I826 HydrophobicContact CB-CG1 3.76Å; L822-I826 PolarHBondContact O-N 3.38Å; R823-I826 PolarHBondContact O-N 3.43Å; I826-A829 PolarHBondContact O-N 3.02Å; I826-L830 VanDerWaalsContact O-CB 3.27Å; I826-L830 WeakPolarHBondContact O-CB 3.4Å; I826-L830 PolarHBondContact O-N 3.37Å; I826-V885 HydrophobicContact CG2-CG1 3.74Å
827W86Confident80.6Confident2 Ų245.1 Ų45.11%0.00824%0.237CC..Hα-helixtrans-66.1-37.5179.9-82.1104.8000112.9R823 E824 L830 I831 V882 V885 Y886 T889 F901 L909 L938R823-W827 PolarHBondContact O-N 2.88Å; E824-W827 PolarHBondContact O-N 2.93Å; W827-L830 HydrophobicContact CE3-CD2 3.82Å; W827-L830 HydrophobicContact CH2-CD2 4.36Å; W827-L830 HydrophobicContact CZ3-CD2 3.64Å; W827-L830 PolarHBondContact O-N 3.38Å; W827-I831 HydrophobicContact CE3-CD1 4.33Å; W827-I831 HydrophobicContact CE3-CG1 4.34Å; W827-I831 VanDerWaalsContact O-CB 3.27Å; W827-I831 WeakPolarHBondContact O-CB 3.21Å; W827-I831 WeakPolarHBondContact O-CD1 3.42Å; W827-I831 WeakPolarHBondContact O-CG1 3.45Å; W827-I831 PolarHBondContact O-N 2.67Å; W827-V882 HydrophobicContact CH2-CG1 3.93Å; W827-V882 HydrophobicContact CZ3-CG1 3.91Å; W827-V885 HydrophobicContact CD2-CG1 4.48Å; W827-V885 HydrophobicContact CH2-CG1 4.49Å; W827-V885 HydrophobicContact CZ2-CG1 4.05Å; W827-Y886 HydrophobicContact CZ2-CD2 4.37Å; W827-T889 PolarHBondContact NE1-OG1 3.23Å; W827-F901 AromaticContact CD1-CZ 3.41Å; W827-F901 VanDerWaalsContact CD1-CZ 3.41Å; W827-F901 HydrophobicContact CG-CZ 4.33Å; W827-F901 AromaticContact NE1-CZ 3.8Å; W827-L909 HydrophobicContact CD2-CD1 4.24Å; W827-L909 HydrophobicContact CD2-CD2 4.09Å; W827-L909 HydrophobicContact CE3-CD2 3.88Å; W827-L909 HydrophobicContact CH2-CD1 4.33Å; W827-L909 HydrophobicContact CH2-CD2 3.52Å; W827-L909 HydrophobicContact CZ2-CD1 3.64Å; W827-L909 HydrophobicContact CZ2-CD2 3.71Å; W827-L909 HydrophobicContact CZ2-CG 4.3Å; W827-L909 HydrophobicContact CZ3-CD2 3.59Å; W827-L938 HydrophobicContact CB-CD1 3.64Å; W827-L938 HydrophobicContact CB-CD2 4.37Å
828L83.8Confident79.7Confident21 Ų2142.1 Ų42.111%0.1122%0.224CC..Hα-helixtrans-64.1-44.4174.9-78.8169.1000112E824 E825 S832 L938E824-L828 WeakPolarHBondContact O-CB 2.91Å; E824-L828 VanDerWaalsContact O-CG 3.27Å; E824-L828 WeakPolarHBondContact O-CG 3.49Å; E824-L828 PolarHBondContact O-N 2.72Å; E825-L828 PolarHBondContact O-N 3.42Å; L828-S832 VanDerWaalsContact O-CB 3.28Å; L828-S832 WeakPolarHBondContact O-CB 3.22Å; L828-S832 PolarHBondContact O-N 3.02Å; L828-S832 PolarHBondContact O-OG 2.8Å; L828-L938 HydrophobicContact CD1-CB 4.4Å; L828-L938 HydrophobicContact CD2-CB 3.64Å; L828-L938 HydrophobicContact CG-CB 3.83Å
829A81.8Confident78.7Confident64 Ų6443 Ų4353%0.52923%0.234SC..Hα-helixtrans-63.1-45.4176.300000111.2E825 I826 S832 H833E825-A829 WeakPolarHBondContact O-CB 3.3Å; E825-A829 PolarHBondContact O-N 3.44Å; I826-A829 PolarHBondContact O-N 3.02Å; A829-S832 PolarHBondContact O-N 3.11Å; A829-H833 PolarHBondContact O-N 2.72Å; A829-H833 VanDerWaalsContact O-N 3.07Å
830L83Confident77.8Confident19 Ų1948.8 Ų48.810%0.09926%0.258CS..Hα-helixtrans-63-49.7178.3-171.184.6000111.8I826 W827 S832 H833 V834 I881 V882 V885I826-L830 VanDerWaalsContact O-CB 3.27Å; I826-L830 WeakPolarHBondContact O-CB 3.4Å; I826-L830 PolarHBondContact O-N 3.37Å; W827-L830 HydrophobicContact CE3-CD2 3.82Å; W827-L830 HydrophobicContact CH2-CD2 4.36Å; W827-L830 HydrophobicContact CZ3-CD2 3.64Å; W827-L830 PolarHBondContact O-N 3.38Å; L830-S832 VanDerWaalsContact C-N 3.31Å; L830-S832 PolarHBondContact O-N 2.86Å; L830-H833 WeakPolarHBondContact O-CB 3.27Å; L830-H833 PolarHBondContact O-N 2.93Å; L830-H833 VanDerWaalsContact O-N 3.16Å; L830-V834 HydrophobicContact CG-CG2 4.45Å; L830-V834 WeakPolarHBondContact O-CG2 3.44Å; L830-V834 PolarHBondContact O-N 2.72Å; L830-I881 HydrophobicContact CD1-CB 4.18Å; L830-I881 HydrophobicContact CD1-CG2 3.43Å; L830-I881 VanDerWaalsContact CD1-CG2 3.43Å; L830-V882 HydrophobicContact CD2-CB 4.32Å; L830-V882 HydrophobicContact CD2-CG2 3.69Å; L830-V882 HydrophobicContact CG-CG2 4.4Å; L830-V885 HydrophobicContact CD1-CG2 4.19Å; L830-V885 HydrophobicContact CD2-CB 4.21Å; L830-V885 HydrophobicContact CD2-CG1 4.31Å; L830-V885 HydrophobicContact CD2-CG2 4.38Å
831I79.7Confident76.9Confident7 Ų747.1 Ų47.14%0.03625%0.249CC..Hα-helixtrans-64.7-39.2-179.1-68.7164.8000110.4W827 H833 V834 D835 V931 L934 H935 L938W827-I831 HydrophobicContact CE3-CD1 4.33Å; W827-I831 HydrophobicContact CE3-CG1 4.34Å; W827-I831 VanDerWaalsContact O-CB 3.27Å; W827-I831 WeakPolarHBondContact O-CB 3.21Å; W827-I831 WeakPolarHBondContact O-CD1 3.42Å; W827-I831 WeakPolarHBondContact O-CG1 3.45Å; W827-I831 PolarHBondContact O-N 2.67Å; I831-H833 VanDerWaalsContact C-N 3.27Å; I831-H833 PolarHBondContact O-N 3.09Å; I831-V834 PolarHBondContact O-N 3.43Å; I831-D835 WeakPolarHBondContact O-CB 3.4Å; I831-D835 PolarHBondContact O-N 3.44Å; I831-V931 HydrophobicContact CB-CG1 4.45Å; I831-V931 HydrophobicContact CG1-CG1 4.36Å; I831-V931 HydrophobicContact CG2-CG1 3.47Å; I831-V931 VanDerWaalsContact CG2-CG1 3.47Å; I831-L934 HydrophobicContact CD1-CB 4.09Å; I831-H935 HydrophobicContact CG2-CB 3.86Å; I831-L938 HydrophobicContact CD1-CD1 3.5Å
832S78.8Confident76Confident54 Ų5444.3 Ų44.338%0.37824%0.235SC..Hα-helixtrans-60.2-39.8175.1-60.70000111.7L828 A829 L830 L836L828-S832 VanDerWaalsContact O-CB 3.28Å; L828-S832 WeakPolarHBondContact O-CB 3.22Å; L828-S832 PolarHBondContact O-N 3.02Å; L828-S832 PolarHBondContact O-OG 2.8Å; A829-S832 PolarHBondContact O-N 3.11Å; L830-S832 VanDerWaalsContact C-N 3.31Å; L830-S832 PolarHBondContact O-N 2.86Å; S832-L836 WeakPolarHBondContact O-CG 3.42Å; S832-L836 PolarHBondContact O-N 2.83Å
833H77.4Confident75.1Confident104 Ų10450.6 Ų50.648%0.48126%0.261SS..Hα-helixtrans-67.8-46.5175.4-170.868.7000111.9A829 L830 I831 D835 L836 D837A829-H833 PolarHBondContact O-N 2.72Å; A829-H833 VanDerWaalsContact O-N 3.07Å; L830-H833 WeakPolarHBondContact O-CB 3.27Å; L830-H833 PolarHBondContact O-N 2.93Å; L830-H833 VanDerWaalsContact O-N 3.16Å; I831-H833 VanDerWaalsContact C-N 3.27Å; I831-H833 PolarHBondContact O-N 3.09Å; H833-D835 PolarHBondContact O-N 3.46Å; H833-L836 PolarHBondContact O-N 3.06Å; H833-D837 IonicContact CE1-OD2 3.76Å; H833-D837 IonicContact NE2-OD2 3.67Å; H833-D837 PolarHBondContact O-N 2.73Å; H833-D837 VanDerWaalsContact O-N 3.08Å
834V70.7Confident74.1Confident11 Ų1154.8 Ų54.87%0.06729%0.285CS..Hα-helixtrans-64-40.5178.3174.60000111.4L830 I831 L836 D837 A838 F879 V882L830-V834 HydrophobicContact CG-CG2 4.45Å; L830-V834 WeakPolarHBondContact O-CG2 3.44Å; L830-V834 PolarHBondContact O-N 2.72Å; I831-V834 PolarHBondContact O-N 3.43Å; V834-L836 VanDerWaalsContact C-N 3.35Å; V834-L836 PolarHBondContact O-N 3.39Å; V834-D837 PolarHBondContact O-N 3.25Å; V834-A838 HydrophobicContact CG1-CB 4.46Å; V834-A838 WeakPolarHBondContact O-CA 3.42Å; V834-A838 WeakPolarHBondContact O-CB 3.44Å; V834-A838 PolarHBondContact O-N 3.05Å; V834-F879 HydrophobicContact CG1-CE1 4.37Å; V834-V882 HydrophobicContact CG2-CG2 3.97Å
835D70.2Confident72.9Confident33 Ų3356.6 Ų56.618%0.17629%0.294CS..Hα-helixtrans-62.8-41.4178.1-103-17.3000111.3I831 H833 L839I831-D835 WeakPolarHBondContact O-CB 3.4Å; I831-D835 PolarHBondContact O-N 3.44Å; H833-D835 PolarHBondContact O-N 3.46Å; D835-L839 VanDerWaalsContact O-CG 3.3Å; D835-L839 WeakPolarHBondContact O-CG 3.39Å; D835-L839 PolarHBondContact O-N 3.31Å
836L67.2Low71.9Confident114 Ų11458.9 Ų58.960%0.59731%0.307SS*.Hα-helixtrans-65.8-44.2177.9-74171.7000112.4S832 H833 V834S832-L836 WeakPolarHBondContact O-CG 3.42Å; S832-L836 PolarHBondContact O-N 2.83Å; H833-L836 PolarHBondContact O-N 3.06Å; V834-L836 VanDerWaalsContact C-N 3.35Å; V834-L836 PolarHBondContact O-N 3.39Å
837D67.6Low70.8Confident55 Ų5560.8 Ų60.829%0.29432%0.318SS..Hα-helixtrans-82.2-32.5-178.3-83.9-9.6000113.2H833 V834 L839 K840 Q841H833-D837 IonicContact CE1-OD2 3.76Å; H833-D837 IonicContact NE2-OD2 3.67Å; H833-D837 PolarHBondContact O-N 2.73Å; H833-D837 VanDerWaalsContact O-N 3.08Å; V834-D837 PolarHBondContact O-N 3.25Å; D837-L839 VanDerWaalsContact C-N 3.33Å; D837-L839 PolarHBondContact O-N 3.43Å; D837-K840 WeakPolarHBondContact O-CB 3.45Å; D837-K840 PolarHBondContact O-N 3.07Å; D837-K840 IonicContact OD1-NZ 2.91Å; D837-K840 PolarHBondContact OD1-NZ 2.97Å; D837-Q841 WeakPolarHBondContact O-CB 3.39Å; D837-Q841 WeakPolarHBondContact O-CG 3.47Å; D837-Q841 PolarHBondContact O-N 3.43Å
838A64Low69.3Low5 Ų568.1 Ų68.14%0.04135%0.35CS..Hα-helixtrans-64.1-38.9174.800000111.3V834 K840 Q841 L842 L878 L928V834-A838 HydrophobicContact CG1-CB 4.46Å; V834-A838 WeakPolarHBondContact O-CA 3.42Å; V834-A838 WeakPolarHBondContact O-CB 3.44Å; V834-A838 PolarHBondContact O-N 3.05Å; A838-K840 VanDerWaalsContact C-N 3.33Å; A838-K840 PolarHBondContact O-N 3.3Å; A838-Q841 PolarHBondContact O-N 3.12Å; A838-L842 WeakPolarHBondContact O-CB 3.26Å; A838-L842 PolarHBondContact O-N 3.37Å; A838-L878 HydrophobicContact CB-CD2 4.02Å; A838-L928 HydrophobicContact CB-CD2 3.75Å
839L64.5Low67.8Low95 Ų9571.2 Ų71.250%0.49737%0.366SS..Hα-helixtrans-61.9-39.4173.8-75.7170.5000112.4D835 D837 K843D835-L839 VanDerWaalsContact O-CG 3.3Å; D835-L839 WeakPolarHBondContact O-CG 3.39Å; D835-L839 PolarHBondContact O-N 3.31Å; D837-L839 VanDerWaalsContact C-N 3.33Å; D837-L839 PolarHBondContact O-N 3.43Å; L839-K843 WeakPolarHBondContact O-CB 3.21Å; L839-K843 PolarHBondContact O-N 3.48Å; L839-K843 VanDerWaalsContact O-N 3.09Å
840K68Low66.5Low126 Ų12676 Ų7655%0.54838%0.375SS..Hα-helixtrans-65.8-47.2174.7-66.7174.1-165.7155.40111.7D837 A838 K843 L844D837-K840 WeakPolarHBondContact O-CB 3.45Å; D837-K840 PolarHBondContact O-N 3.07Å; D837-K840 IonicContact OD1-NZ 2.91Å; D837-K840 PolarHBondContact OD1-NZ 2.97Å; A838-K840 VanDerWaalsContact C-N 3.33Å; A838-K840 PolarHBondContact O-N 3.3Å; K840-K843 PolarHBondContact O-N 2.77Å; K840-L844 PolarHBondContact O-N 3.29Å
841Q65.7Low64.9Low82 Ų8277.7 Ų77.738%0.38339%0.388SS..Hα-helixtrans-64.7-39-179.9-70.9-69.4-27.200111.9D837 A838 K843 L844 L845 L878D837-Q841 WeakPolarHBondContact O-CB 3.39Å; D837-Q841 WeakPolarHBondContact O-CG 3.47Å; D837-Q841 PolarHBondContact O-N 3.43Å; A838-Q841 PolarHBondContact O-N 3.12Å; Q841-K843 VanDerWaalsContact C-N 3.35Å; Q841-L844 WeakPolarHBondContact O-CB 3.38Å; Q841-L844 PolarHBondContact O-N 3.45Å; Q841-L845 WeakPolarHBondContact O-CB 3.41Å; Q841-L845 PolarHBondContact O-N 2.6Å; Q841-L878 HydrophobicContact CB-CD1 4.13Å; Q841-L878 HydrophobicContact CB-CD2 4.42Å; Q841-L878 HydrophobicContact CG-CD1 4.44Å; Q841-L878 HydrophobicContact CG-CD2 4.13Å; Q841-L878 HydrophobicContact CG-CG 4.43Å
842L63Low63.3Low30 Ų3082.4 Ų82.416%0.15742%0.419CS..Hα-helixtrans-70.4-33.2177.9-144.3161.6000111.5A838 L845 N846 I924 L928A838-L842 WeakPolarHBondContact O-CB 3.26Å; A838-L842 PolarHBondContact O-N 3.37Å; L842-L845 PolarHBondContact O-N 3.42Å; L842-N846 WeakPolarHBondContact O-CB 3.21Å; L842-N846 PolarHBondContact O-N 2.99Å; L842-I924 HydrophobicContact CD1-CB 4.22Å; L842-I924 HydrophobicContact CD1-CG2 3.46Å; L842-I924 VanDerWaalsContact CD1-CG2 3.46Å; L842-I924 HydrophobicContact CG-CG2 4.06Å; L842-L928 HydrophobicContact CD1-CD1 3.29Å; L842-L928 HydrophobicContact CD1-CG 4.41Å
843K66.4Low61.6Low144 Ų14485.5 Ų85.563%0.62644%0.436SS*.Hα-helixtrans-65.2-49.6172-155.9178.9-174-175.10111.2L839 K840 Q841 L845 N846 D847L839-K843 WeakPolarHBondContact O-CB 3.21Å; L839-K843 PolarHBondContact O-N 3.48Å; L839-K843 VanDerWaalsContact O-N 3.09Å; K840-K843 PolarHBondContact O-N 2.77Å; Q841-K843 VanDerWaalsContact C-N 3.35Å; K843-L845 VanDerWaalsContact C-N 3.26Å; K843-L845 PolarHBondContact O-N 3.31Å; K843-N846 PolarHBondContact O-N 3.33Å; K843-D847 WeakPolarHBondContact O-CB 3.47Å; K843-D847 PolarHBondContact O-N 2.84Å
844L65.7Low60Low104 Ų10486.4 Ų86.455%0.54544%0.443SS..Hα-helixtrans-54.2-42.3172.8-85.8158.9000112.2K840 Q841 D847 F848K840-L844 PolarHBondContact O-N 3.29Å; Q841-L844 WeakPolarHBondContact O-CB 3.38Å; Q841-L844 PolarHBondContact O-N 3.45Å; L844-D847 PolarHBondContact O-N 3.38Å; L844-F848 WeakPolarHBondContact O-CB 3.33Å; L844-F848 PolarHBondContact O-N 3.19Å
845L59.7Low58.4Low39 Ų3992.9 Ų92.920%0.20448%0.478CS..Hα-helixtrans-71.3-38.6-179.2-151.8146.8000112Q841 L842 K843 F848 L849 L871 V874 I924Q841-L845 WeakPolarHBondContact O-CB 3.41Å; Q841-L845 PolarHBondContact O-N 2.6Å; L842-L845 PolarHBondContact O-N 3.42Å; K843-L845 VanDerWaalsContact C-N 3.26Å; K843-L845 PolarHBondContact O-N 3.31Å; L845-F848 PolarHBondContact O-N 2.9Å; L845-L849 HydrophobicContact CD2-CD1 3.72Å; L845-L849 HydrophobicContact CD2-CG 4.23Å; L845-L849 WeakPolarHBondContact O-CB 3.47Å; L845-L849 VanDerWaalsContact O-CG 3.27Å; L845-L849 WeakPolarHBondContact O-CG 3.27Å; L845-L849 PolarHBondContact O-N 2.92Å; L845-L871 HydrophobicContact CD2-CD1 4.46Å; L845-V874 HydrophobicContact CD1-CG1 4.32Å; L845-I924 HydrophobicContact CD1-CD1 4.24Å
846N61.5Low56.8Low73 Ų7397.1 Ų97.139%0.3951%0.505SS..Hα-helixtrans-66.5-39.8172.6-98-25.7000112.4L842 K843 F848 L849 K850L842-N846 WeakPolarHBondContact O-CB 3.21Å; L842-N846 PolarHBondContact O-N 2.99Å; K843-N846 PolarHBondContact O-N 3.33Å; N846-F848 VanDerWaalsContact C-N 3.31Å; N846-L849 PolarHBondContact O-N 3.27Å; N846-K850 WeakPolarHBondContact O-CB 3.45Å; N846-K850 WeakPolarHBondContact O-CG 3.42Å; N846-K850 PolarHBondContact O-N 3.11Å
847D61.6Low55.4Low94 Ų9497.3 Ų97.350%0.50351%0.513SS..Hα-helixtrans-66.1-37.5175.9-66-21.3000110.4K843 L844 K850 S851K843-D847 WeakPolarHBondContact O-CB 3.47Å; K843-D847 PolarHBondContact O-N 2.84Å; L844-D847 PolarHBondContact O-N 3.38Å; D847-K850 PolarHBondContact O-N 3.36Å; D847-S851 PolarHBondContact O-N 2.93Å
848F55.1Low53.8Low157 Ų157101.8 Ų101.869%0.68954%0.536SS*.Hα-helixtrans-66.7-36.7172.8-134.9-84.1000113L844 L845 N846 S851L844-F848 WeakPolarHBondContact O-CB 3.33Å; L844-F848 PolarHBondContact O-N 3.19Å; L845-F848 PolarHBondContact O-N 2.9Å; N846-F848 VanDerWaalsContact C-N 3.31Å; F848-S851 WeakPolarHBondContact O-CB 3.45Å; F848-S851 PolarHBondContact O-N 3.29Å
849L52.7Low52.4Low85 Ų85113 Ų11345%0.44558%0.578SS.*Hα-helixtrans-74.1-25.5177.5-76.3171.9000113.4L845 N846 K867L845-L849 HydrophobicContact CD2-CD1 3.72Å; L845-L849 HydrophobicContact CD2-CG 4.23Å; L845-L849 WeakPolarHBondContact O-CB 3.47Å; L845-L849 VanDerWaalsContact O-CG 3.27Å; L845-L849 WeakPolarHBondContact O-CG 3.27Å; L845-L849 PolarHBondContact O-N 2.92Å; N846-L849 PolarHBondContact O-N 3.27Å; L849-K867 HydrophobicContact CD2-CD 4.41Å
850K54Low51Low166 Ų166114.5 Ų114.572%0.72259%0.593SS**SBendtrans-87.4-7.4175-72.3177.1179.4-178.30113.3N846 D847N846-K850 WeakPolarHBondContact O-CB 3.45Å; N846-K850 WeakPolarHBondContact O-CG 3.42Å; N846-K850 PolarHBondContact O-N 3.11Å; D847-K850 PolarHBondContact O-N 3.36Å
851S49.1Very low49.2Very low53 Ų53113.1 Ų113.137%0.37161%0.606SS.*  trans-68.9126.2177.1-172.50000110.4D847 F848 V853D847-S851 PolarHBondContact O-N 2.93Å; F848-S851 WeakPolarHBondContact O-CB 3.45Å; F848-S851 PolarHBondContact O-N 3.29Å; S851-V853 PolarHBondContact O-N 2.97Å
852P45.5Very low47.6Very low106 Ų106115.3 Ų115.369%0.68862%0.624SS**SBendtrans-73.915.9-172.329.8-34.8000114.7L854P852-L854 PolarHBondContact O-N 3.4Å
853V45.1Very low46.2Very low120 Ų120117.5 Ų117.573%0.72766%0.655SS**THydrogen-bonded Turntrans-76.714-174.6-173.50000112.9S851S851-V853 PolarHBondContact O-N 2.97Å
854L42.3Very low44.7Very low122 Ų122119.1 Ų119.164%0.63966%0.662SS**THydrogen-bonded Turntrans-108.4-0.6178.6-71.7173.8000114.9P852 V856P852-L854 PolarHBondContact O-N 3.4Å; L854-V856 VanDerWaalsContact C-N 3.31Å; L854-V856 PolarHBondContact O-N 3.3Å; L854-V856 VanDerWaalsContact O-N 3.15Å
855D37.1Very low43.9Very low147 Ų147117.6 Ų117.679%0.78666%0.658SS**  trans-89.362.1175.1-70.8-27.3000112
856V38.1Very low43.9Very low123 Ų123120.9 Ų120.975%0.74568%0.676SS**  trans-124.1100.9160.5-173.50000108.4L854 D858L854-V856 VanDerWaalsContact C-N 3.31Å; L854-V856 PolarHBondContact O-N 3.3Å; L854-V856 VanDerWaalsContact O-N 3.15Å; V856-D858 PolarHBondContact O-N 3.1Å
857P37.3Very low43.5Very low118 Ų118123.7 Ų123.777%0.76669%0.685SS**  trans-89.181.3177.934.8-27.8000108.4
858D32.6Very low43.2Very low148 Ų148125.1 Ų125.179%0.79169%0.688SS**  trans-159.390.3163.2-95.9-31.3000111.4V856V856-D858 PolarHBondContact O-N 3.1Å
859R36Very low43.4Very low240 Ų240124.3 Ų124.391%0.90669%0.685SS**  trans-176.6126141.6-100.8171.3-158-158.85.8110
860P35.3Very low43.7Very low128 Ų128126.5 Ų126.583%0.83169%0.69SS**  trans-81.3147.3173.832.8-29.8000110.5
861A30.2Very low43.9Very low97 Ų97120.4 Ų120.480%0.80267%0.666SS**SBendtrans72.364.8164.600000119
862T31.2Very low44.6Very low127 Ų127122 Ų12278%0.77967%0.667SS**  trans-160.8114135.843.20000108.4F864T862-F864 PolarHBondContact O-N 3.31Å
863G34Very low45.5Very low77 Ų77121.6 Ų121.679%0.79466%0.658SS**  trans-58.8124.4173.300000110.7P865G863-P865 VanDerWaalsContact O-CD 3.23Å; G863-P865 WeakPolarHBondContact O-CD 3.33Å
864F34.9Very low46.3Very low178 Ų178117.6 Ų117.678%0.78163%0.634SS**  trans-56.9117.3-172.4-82.7-95.9000114.6T862T862-F864 PolarHBondContact O-N 3.31Å
865P49.1Very low47.4Very low72 Ų72113 Ų11347%0.46861%0.609SS.*  trans-95.11.7169.25.115.7000114.2G863G863-P865 VanDerWaalsContact O-CD 3.23Å; G863-P865 WeakPolarHBondContact O-CD 3.33Å
866N58.3Low48.8Very low107 Ų107112.1 Ų112.157%0.57260%0.6SS**Hα-helixtrans-78.9-22.6-167.4-82.7-11.7000115.8
867K53.8Low50.1Low133 Ų133111.7 Ų111.758%0.57859%0.593SS**Hα-helixtrans-74.3-42.8174.6-94.6-177.6179.4178.30111.9L849 K870 L871L849-K867 HydrophobicContact CD2-CD 4.41Å; K867-K870 PolarHBondContact O-N 3.33Å; K867-L871 WeakPolarHBondContact O-CB 3.44Å; K867-L871 PolarHBondContact O-N 3.13Å
868Q55.1Low51.5Low123 Ų123107.6 Ų107.658%0.57556%0.564SS**Hα-helixtrans-65-47.7-178.5-79.9176-20.200112.2K870 L871 Q872Q868-K870 PolarHBondContact O-N 2.7Å; Q868-L871 PolarHBondContact O-N 2.76Å; Q868-Q872 WeakPolarHBondContact O-CB 3.26Å; Q868-Q872 PolarHBondContact O-N 3.45Å
869K59.1Low53.3Low140 Ų140101 Ų10161%0.60953%0.529SS*.Hα-helixtrans-61.3-40.9177.3-78.3-174.2175.6-178.30113.3Q872 I873K869-Q872 WeakPolarHBondContact O-CB 3.37Å; K869-Q872 PolarHBondContact O-N 2.86Å; K869-I873 WeakPolarHBondContact O-CG1 3.16Å; K869-I873 PolarHBondContact O-N 3.33Å; K869-I873 VanDerWaalsContact O-N 3.11Å
870K59Low55Low131 Ų13196.4 Ų96.457%0.5751%0.511SS*.Hα-helixtrans-67.2-40.4176.9-81.5-175.3174.9-176.10112.3K867 Q868 Q872 I873 V874K867-K870 PolarHBondContact O-N 3.33Å; Q868-K870 PolarHBondContact O-N 2.7Å; K870-Q872 VanDerWaalsContact C-N 3.27Å; K870-Q872 PolarHBondContact O-N 3.49Å; K870-I873 PolarHBondContact O-N 3.08Å; K870-V874 WeakPolarHBondContact O-CG2 3.27Å; K870-V874 PolarHBondContact O-N 3.14Å; K870-V874 VanDerWaalsContact O-N 3.15Å
871L58.8Low56.8Low39 Ų3993.9 Ų93.920%0.20449%0.49CS..Hα-helixtrans-64.3-37.1175.8-136.7117.4000111L845 K867 Q868 V874 K875 L922 I924L845-L871 HydrophobicContact CD2-CD1 4.46Å; K867-L871 WeakPolarHBondContact O-CB 3.44Å; K867-L871 PolarHBondContact O-N 3.13Å; Q868-L871 PolarHBondContact O-N 2.76Å; L871-V874 PolarHBondContact O-N 3.26Å; L871-K875 VanDerWaalsContact O-CB 3.29Å; L871-K875 WeakPolarHBondContact O-CB 3.41Å; L871-K875 PolarHBondContact O-N 3.43Å; L871-L922 HydrophobicContact CD2-CD2 4.46Å; L871-I924 HydrophobicContact CD2-CD1 4.27Å; L871-I924 HydrophobicContact CD2-CG1 4.29Å; L871-I924 HydrophobicContact CG-CD1 4.4Å
872Q63.3Low59Low86 Ų8689.5 Ų89.540%0.40245%0.454SS..Hα-helixtrans-63.5-47.2177.1-164.1162.67.400111.9Q868 K869 K870 V874 K875 E876 N919Q868-Q872 WeakPolarHBondContact O-CB 3.26Å; Q868-Q872 PolarHBondContact O-N 3.45Å; K869-Q872 WeakPolarHBondContact O-CB 3.37Å; K869-Q872 PolarHBondContact O-N 2.86Å; K870-Q872 VanDerWaalsContact C-N 3.27Å; K870-Q872 PolarHBondContact O-N 3.49Å; Q872-V874 VanDerWaalsContact C-N 3.34Å; Q872-V874 PolarHBondContact O-N 2.92Å; Q872-K875 WeakPolarHBondContact O-CB 3.3Å; Q872-K875 PolarHBondContact O-N 2.9Å; Q872-E876 WeakPolarHBondContact O-CB 3.47Å; Q872-E876 PolarHBondContact O-N 2.85Å; Q872-N919 PolarHBondContact NE2-OD1 2.89Å
873I65.1Low61.1Low98 Ų9885.7 Ų85.750%0.50343%0.428SS..Hα-helixtrans-60.7-41.6176-66165.9000111.7K869 K870 E876 L877K869-I873 WeakPolarHBondContact O-CG1 3.16Å; K869-I873 PolarHBondContact O-N 3.33Å; K869-I873 VanDerWaalsContact O-N 3.11Å; K870-I873 PolarHBondContact O-N 3.08Å; I873-E876 PolarHBondContact O-N 3.36Å; I873-L877 HydrophobicContact CG2-CD1 3.9Å; I873-L877 WeakPolarHBondContact O-CB 3.44Å; I873-L877 PolarHBondContact O-N 2.81Å
874V62.4Low63.2Low35 Ų3587.2 Ų87.221%0.21241%0.414CS..Hα-helixtrans-67.9-40.4178171.60000111.2L845 K870 L871 Q872 E876 L877 L878L845-V874 HydrophobicContact CD1-CG1 4.32Å; K870-V874 WeakPolarHBondContact O-CG2 3.27Å; K870-V874 PolarHBondContact O-N 3.14Å; K870-V874 VanDerWaalsContact O-N 3.15Å; L871-V874 PolarHBondContact O-N 3.26Å; Q872-V874 VanDerWaalsContact C-N 3.34Å; Q872-V874 PolarHBondContact O-N 2.92Å; V874-E876 VanDerWaalsContact C-N 3.31Å; V874-E876 PolarHBondContact O-N 3.16Å; V874-L877 PolarHBondContact O-N 3.44Å; V874-L878 HydrophobicContact CG1-CD1 3.67Å; V874-L878 VanDerWaalsContact O-CB 3.31Å; V874-L878 WeakPolarHBondContact O-CB 3.5Å; V874-L878 PolarHBondContact O-N 3.45Å
875K64.1Low65.4Low26 Ų2679.8 Ų79.811%0.11338%0.384CS..Hα-helixtrans-60.8-43.5174-155.1-178.4-167.7-163.40110.2L871 Q872 F879 A915 I916 D918L871-K875 VanDerWaalsContact O-CB 3.29Å; L871-K875 WeakPolarHBondContact O-CB 3.41Å; L871-K875 PolarHBondContact O-N 3.43Å; Q872-K875 WeakPolarHBondContact O-CB 3.3Å; Q872-K875 PolarHBondContact O-N 2.9Å; K875-F879 HydrophobicContact CG-CD2 4.11Å; K875-F879 HydrophobicContact CG-CE2 4.46Å; K875-F879 WeakPolarHBondContact O-CB 3.27Å; K875-F879 VanDerWaalsContact O-CD2 3.28Å; K875-F879 WeakPolarHBondContact O-CD2 3.28Å; K875-F879 PolarHBondContact O-N 2.85Å; K875-A915 PolarHBondContact NZ-O 3.15Å; K875-I916 WeakPolarHBondContact CD-O 3.47Å; K875-I916 WeakPolarHBondContact CE-O 3.42Å; K875-I916 PolarHBondContact NZ-O 3.44Å; K875-D918 PolarHBondContact NZ-O 3.01Å
876E66.6Low67Low128 Ų12878.3 Ų78.360%0.59837%0.369SS*.Hα-helixtrans-68.1-42.9179.9-153.4161.4-159.400111.7Q872 I873 V874 R880Q872-E876 WeakPolarHBondContact O-CB 3.47Å; Q872-E876 PolarHBondContact O-N 2.85Å; I873-E876 PolarHBondContact O-N 3.36Å; V874-E876 VanDerWaalsContact C-N 3.31Å; V874-E876 PolarHBondContact O-N 3.16Å; E876-R880 WeakPolarHBondContact O-CA 3.37Å; E876-R880 WeakPolarHBondContact O-CB 3.29Å; E876-R880 PolarHBondContact O-N 3.28Å
877L66.9Low68Low114 Ų11478.6 Ų78.660%0.59737%0.371SS*.Hα-helixtrans-66.2-42.2175-85.1159000113.4I873 V874I873-L877 HydrophobicContact CG2-CD1 3.9Å; I873-L877 WeakPolarHBondContact O-CB 3.44Å; I873-L877 PolarHBondContact O-N 2.81Å; V874-L877 PolarHBondContact O-N 3.44Å
878L64.8Low69.2Low32 Ų3278.1 Ų78.117%0.16837%0.373CS..Hα-helixtrans-68.4-36.1179.6-86161.4000112.5A838 Q841 V874A838-L878 HydrophobicContact CB-CD2 4.02Å; Q841-L878 HydrophobicContact CB-CD1 4.13Å; Q841-L878 HydrophobicContact CB-CD2 4.42Å; Q841-L878 HydrophobicContact CG-CD1 4.44Å; Q841-L878 HydrophobicContact CG-CD2 4.13Å; Q841-L878 HydrophobicContact CG-CG 4.43Å; V874-L878 HydrophobicContact CG1-CD1 3.67Å; V874-L878 VanDerWaalsContact O-CB 3.31Å; V874-L878 WeakPolarHBondContact O-CB 3.5Å; V874-L878 PolarHBondContact O-N 3.45Å
879F70.8Confident70.4Confident11 Ų1172.4 Ų72.45%0.04835%0.347CS..Hα-helixtrans-108.63-173.1-64.8-74.8000114.1V834 K875 I881 V882 L883 I916 V931V834-F879 HydrophobicContact CG1-CE1 4.37Å; K875-F879 HydrophobicContact CG-CD2 4.11Å; K875-F879 HydrophobicContact CG-CE2 4.46Å; K875-F879 WeakPolarHBondContact O-CB 3.27Å; K875-F879 VanDerWaalsContact O-CD2 3.28Å; K875-F879 WeakPolarHBondContact O-CD2 3.28Å; K875-F879 PolarHBondContact O-N 2.85Å; F879-I881 VanDerWaalsContact C-N 3.34Å; F879-I881 PolarHBondContact O-N 3.12Å; F879-V882 HydrophobicContact CB-CB 4.31Å; F879-V882 HydrophobicContact CD1-CB 4.12Å; F879-V882 HydrophobicContact CD1-CG1 4.26Å; F879-V882 HydrophobicContact CD1-CG2 3.94Å; F879-V882 CarbonylContact O-C 3.44Å; F879-V882 WeakPolarHBondContact O-CA 3.49Å; F879-V882 WeakPolarHBondContact O-CB 3.41Å; F879-V882 PolarHBondContact O-N 3.46Å; F879-V882 VanDerWaalsContact O-N 3.08Å; F879-L883 WeakPolarHBondContact O-CG 3.3Å; F879-L883 PolarHBondContact O-N 3.07Å; F879-I916 HydrophobicContact CB-CD1 4.1Å; F879-I916 HydrophobicContact CB-CG2 3.81Å; F879-I916 HydrophobicContact CD1-CD1 3.42Å; F879-I916 VanDerWaalsContact CD1-CD1 3.42Å; F879-I916 HydrophobicContact CD1-CG1 4.11Å; F879-I916 HydrophobicContact CD2-CD1 4.36Å; F879-I916 HydrophobicContact CD2-CG1 4.2Å; F879-I916 HydrophobicContact CD2-CG2 4.2Å; F879-I916 HydrophobicContact CE1-CD1 3.88Å; F879-I916 HydrophobicContact CE1-CG1 4.37Å; F879-I916 HydrophobicContact CE2-CG1 4.46Å; F879-I916 HydrophobicContact CG-CD1 3.71Å; F879-I916 HydrophobicContact CG-CG1 4.03Å; F879-I916 HydrophobicContact CG-CG2 4.06Å; F879-V931 HydrophobicContact CE1-CG2 4.25Å
880R72.6Confident71.4Confident142 Ų14268 Ų6854%0.53633%0.333SS..Hα-helixtrans-55.7-48176.9-171176.972.6-162.62.1112.3E876 V882 L883 Q884E876-R880 WeakPolarHBondContact O-CA 3.37Å; E876-R880 WeakPolarHBondContact O-CB 3.29Å; E876-R880 PolarHBondContact O-N 3.28Å; R880-V882 VanDerWaalsContact C-N 3.27Å; R880-V882 PolarHBondContact O-N 2.81Å; R880-L883 PolarHBondContact O-N 3.47Å; R880-Q884 PolarHBondContact O-N 2.85Å
881I72.7Confident72.3Confident75 Ų7564 Ų6439%0.38533%0.325SS..Hα-helixtrans-67.2-35.2179.7-51.3178.3000109.7L830 F879 L883 Q884 V885L830-I881 HydrophobicContact CD1-CB 4.18Å; L830-I881 HydrophobicContact CD1-CG2 3.43Å; L830-I881 VanDerWaalsContact CD1-CG2 3.43Å; F879-I881 VanDerWaalsContact C-N 3.34Å; F879-I881 PolarHBondContact O-N 3.12Å; I881-L883 VanDerWaalsContact C-N 3.34Å; I881-L883 PolarHBondContact O-N 2.81Å; I881-Q884 PolarHBondContact O-N 2.71Å; I881-V885 HydrophobicContact CG2-CG2 4.22Å; I881-V885 WeakPolarHBondContact O-CB 3.46Å; I881-V885 VanDerWaalsContact O-CG2 3.3Å; I881-V885 WeakPolarHBondContact O-CG2 3.5Å; I881-V885 PolarHBondContact O-N 2.96Å
882V75.9Confident73.4Confident6 Ų665.7 Ų65.74%0.03635%0.345CS..Hα-helixtrans-62-40.6174.8172.40000111.8W827 L830 V834 F879 R880 Y886 I916W827-V882 HydrophobicContact CH2-CG1 3.93Å; W827-V882 HydrophobicContact CZ3-CG1 3.91Å; L830-V882 HydrophobicContact CD2-CB 4.32Å; L830-V882 HydrophobicContact CD2-CG2 3.69Å; L830-V882 HydrophobicContact CG-CG2 4.4Å; V834-V882 HydrophobicContact CG2-CG2 3.97Å; F879-V882 HydrophobicContact CB-CB 4.31Å; F879-V882 HydrophobicContact CD1-CB 4.12Å; F879-V882 HydrophobicContact CD1-CG1 4.26Å; F879-V882 HydrophobicContact CD1-CG2 3.94Å; F879-V882 CarbonylContact O-C 3.44Å; F879-V882 WeakPolarHBondContact O-CA 3.49Å; F879-V882 WeakPolarHBondContact O-CB 3.41Å; F879-V882 PolarHBondContact O-N 3.46Å; F879-V882 VanDerWaalsContact O-N 3.08Å; R880-V882 VanDerWaalsContact C-N 3.27Å; R880-V882 PolarHBondContact O-N 2.81Å; V882-Y886 VanDerWaalsContact O-CB 3.28Å; V882-Y886 WeakPolarHBondContact O-CB 3.31Å; V882-Y886 PolarHBondContact O-N 2.74Å; V882-I916 HydrophobicContact CG1-CD1 4.35Å
883L75.8Confident74.4Confident46 Ų4664 Ų6424%0.24134%0.341CS..Hα-helixtrans-66.8-47.3175.3-68.5169.1000111.4F879 R880 I881 V885 Y886 D887 I913F879-L883 WeakPolarHBondContact O-CG 3.3Å; F879-L883 PolarHBondContact O-N 3.07Å; R880-L883 PolarHBondContact O-N 3.47Å; I881-L883 VanDerWaalsContact C-N 3.34Å; I881-L883 PolarHBondContact O-N 2.81Å; L883-V885 PolarHBondContact O-N 3.47Å; L883-Y886 WeakPolarHBondContact O-CB 3.3Å; L883-Y886 PolarHBondContact O-N 3.22Å; L883-Y886 VanDerWaalsContact O-N 3.17Å; L883-D887 PolarHBondContact O-N 3.25Å; L883-I913 HydrophobicContact CD2-CD1 4.49Å; L883-I913 HydrophobicContact CD2-CG1 4.44Å; L883-I913 HydrophobicContact CD2-CG2 4.02Å
884Q78.3Confident75.2Confident109 Ų10964.4 Ų64.451%0.50934%0.341SS..Hα-helixtrans-59.9-43.7177.7-72179.2-27.800112.5R880 I881 Y886 D887 I888R880-Q884 PolarHBondContact O-N 2.85Å; I881-Q884 PolarHBondContact O-N 2.71Å; Q884-Y886 VanDerWaalsContact C-N 3.33Å; Q884-D887 PolarHBondContact O-N 3.1Å; Q884-I888 WeakPolarHBondContact O-CG1 3.22Å; Q884-I888 PolarHBondContact O-N 2.82Å
885V80.2Confident76.3Confident22 Ų2263 Ų6313%0.13333%0.332CS..Hα-helixtrans-70.4-32.3178172.80000111.5I826 W827 L830 I881 L883 I888 T889I826-V885 HydrophobicContact CG2-CG1 3.74Å; W827-V885 HydrophobicContact CD2-CG1 4.48Å; W827-V885 HydrophobicContact CH2-CG1 4.49Å; W827-V885 HydrophobicContact CZ2-CG1 4.05Å; L830-V885 HydrophobicContact CD1-CG2 4.19Å; L830-V885 HydrophobicContact CD2-CB 4.21Å; L830-V885 HydrophobicContact CD2-CG1 4.31Å; L830-V885 HydrophobicContact CD2-CG2 4.38Å; I881-V885 HydrophobicContact CG2-CG2 4.22Å; I881-V885 WeakPolarHBondContact O-CB 3.46Å; I881-V885 VanDerWaalsContact O-CG2 3.3Å; I881-V885 WeakPolarHBondContact O-CG2 3.5Å; I881-V885 PolarHBondContact O-N 2.96Å; L883-V885 PolarHBondContact O-N 3.47Å; V885-I888 PolarHBondContact O-N 2.69Å; V885-T889 HydrophobicContact CG1-CG2 4.15Å; V885-T889 WeakPolarHBondContact O-CB 3.3Å; V885-T889 WeakPolarHBondContact O-CG2 3.09Å; V885-T889 PolarHBondContact O-N 2.95Å; V885-T889 PolarHBondContact O-OG1 3.44Å
886Y83.2Confident77.4Confident42 Ų4269.1 Ų69.117%0.16536%0.355CS..Hα-helixtrans-64.9-43.8172.9179-103.6000112.5W827 V882 L883 Q884 I888 T889 S890 L909 I913W827-Y886 HydrophobicContact CZ2-CD2 4.37Å; V882-Y886 VanDerWaalsContact O-CB 3.28Å; V882-Y886 WeakPolarHBondContact O-CB 3.31Å; V882-Y886 PolarHBondContact O-N 2.74Å; L883-Y886 WeakPolarHBondContact O-CB 3.3Å; L883-Y886 PolarHBondContact O-N 3.22Å; L883-Y886 VanDerWaalsContact O-N 3.17Å; Q884-Y886 VanDerWaalsContact C-N 3.33Å; Y886-I888 PolarHBondContact O-N 3.04Å; Y886-T889 PolarHBondContact O-N 3.46Å; Y886-S890 WeakPolarHBondContact O-CB 3.22Å; Y886-S890 PolarHBondContact O-N 2.95Å; Y886-S890 PolarHBondContact O-OG 2.87Å; Y886-L909 HydrophobicContact CD2-CB 4.02Å; Y886-L909 HydrophobicContact CD2-CD1 4.39Å; Y886-L909 HydrophobicContact CE2-CB 3.84Å; Y886-I913 VanDerWaalsContact CB-CD1 3.43Å; Y886-I913 HydrophobicContact CD1-CD1 3.17Å; Y886-I913 HydrophobicContact CD2-CD1 3.26Å; Y886-I913 HydrophobicContact CE1-CD1 3.57Å; Y886-I913 HydrophobicContact CE2-CD1 3.67Å; Y886-I913 HydrophobicContact CG-CD1 2.96Å; Y886-I913 HydrophobicContact CG-CG1 4.46Å
887D79.1Confident78.3Confident113 Ų11363.3 Ų63.360%0.60433%0.328SS*.Hα-helixtrans-59.9-36.7177.9-66.7-21.4000111.3L883 Q884 S890L883-D887 PolarHBondContact O-N 3.25Å; Q884-D887 PolarHBondContact O-N 3.1Å; D887-S890 PolarHBondContact O-OG 3.34Å
888I79.5Confident79.3Confident123 Ų12358.6 Ų58.663%0.63130%0.302SS*.Hα-helixtrans-71.4-46.1175.7-62.1166000111.5Q884 V885 Y886 A891Q884-I888 WeakPolarHBondContact O-CG1 3.22Å; Q884-I888 PolarHBondContact O-N 2.82Å; V885-I888 PolarHBondContact O-N 2.69Å; Y886-I888 PolarHBondContact O-N 3.04Å; I888-A891 WeakPolarHBondContact O-CB 3.31Å
889T80.3Confident80.4Confident3 Ų362.4 Ų62.42%0.01832%0.32CS..Hα-helixtrans-83.4-15.5-173.154.50000114.2R823 W827 V885 Y886 A891R823-T889 HydrophobicContact CB-CG2 4.46Å; R823-T889 HydrophobicContact CG-CG2 4.34Å; R823-T889 PolarHBondContact NH1-O 3.15Å; W827-T889 PolarHBondContact NE1-OG1 3.23Å; V885-T889 HydrophobicContact CG1-CG2 4.15Å; V885-T889 WeakPolarHBondContact O-CB 3.3Å; V885-T889 WeakPolarHBondContact O-CG2 3.09Å; V885-T889 PolarHBondContact O-N 2.95Å; V885-T889 PolarHBondContact O-OG1 3.44Å; Y886-T889 PolarHBondContact O-N 3.46Å; T889-A891 VanDerWaalsContact C-N 3.27Å
890S79Confident81Confident46 Ų4666.2 Ų66.232%0.32234%0.338SS..THydrogen-bonded Turntrans-81.5-4.6173.661.70000113.8Y886 D887Y886-S890 WeakPolarHBondContact O-CB 3.22Å; Y886-S890 PolarHBondContact O-N 2.95Å; Y886-S890 PolarHBondContact O-OG 2.87Å; D887-S890 PolarHBondContact O-OG 3.34Å
891A79.5Confident81.7Confident48 Ų4859.5 Ų59.540%0.39731%0.312SS..SBendtrans-54.6153.2169.600000111.9R823 I888 T889R823-A891 PolarHBondContact NH1-O 2.72Å; R823-A891 VanDerWaalsContact NH1-O 3.08Å; I888-A891 WeakPolarHBondContact O-CB 3.31Å; T889-A891 VanDerWaalsContact C-N 3.27Å
892A82Confident82.5Confident75 Ų7557.3 Ų57.362%0.6230%0.301SS*.PPolyproline II helixtrans-49.9134.8178.800000110.4R823R823-A892 PolarHBondContact NH2-O 3Å
893P82.8Confident83Confident49 Ų4960.6 Ų60.632%0.31833%0.329SS..PPolyproline II helixtrans-71.2134.317930.1-30.9000109.4E898 E899 N902P893-E898 HydrophobicContact CB-CB 3.76Å; P893-E899 HydrophobicContact CB-CB 4.34Å; P893-E899 HydrophobicContact CB-CG 3.72Å; P893-E899 HydrophobicContact CG-CG 3.79Å; P893-N902 WeakPolarHBondContact CD-ND2 3.32Å
894E82.4Confident83.4Confident108 Ų10861.8 Ų61.851%0.50534%0.338SS..  trans-108.6-17.5177.9-69.8176.6-120.800112.3R818 E898R818-E894 VanDerWaalsContact CZ-CD 3.5Å; R818-E894 IonicContact CZ-OE1 3.22Å; R818-E894 VanDerWaalsContact CZ-OE1 3.3Å; R818-E894 IonicContact CZ-OE2 3.04Å; R818-E894 VanDerWaalsContact CZ-OE2 3.31Å; R818-E894 IonicContact NH1-OE1 3.05Å; R818-E894 PolarHBondContact NH1-OE1 2.7Å; R818-E894 IonicContact NH1-OE2 3.16Å; R818-E894 PolarHBondContact NH1-OE2 3.06Å; R818-E894 IonicContact NH2-OE1 3.87Å; R818-E894 PolarHBondContact NH2-OE1 2.81Å; R818-E894 IonicContact NH2-OE2 2.65Å; R818-E894 PolarHBondContact NH2-OE2 3.2Å; E894-E898 PolarHBondContact N-OE2 3.37Å
895T86.7Confident83.7Confident6 Ų656.6 Ų56.64%0.03731%0.314CS..SBendtrans-124154.8-179.476.30000110.6N897 E898 E899 I955T895-N897 PolarHBondContact O-N 3.38Å; T895-E898 WeakPolarHBondContact O-CA 3.4Å; T895-E898 WeakPolarHBondContact O-CB 3.33Å; T895-E898 PolarHBondContact O-N 3.29Å; T895-E898 VanDerWaalsContact OG1-CG 3.3Å; T895-E898 WeakPolarHBondContact OG1-CG 3.27Å; T895-E898 PolarHBondContact OG1-N 3.19Å; T895-E899 PolarHBondContact O-N 3.02Å; T895-I955 WeakPolarHBondContact CG2-O 3.49Å
896R85.7Confident84Confident153 Ų15356.9 Ų56.958%0.57732%0.315SS*.Hα-helixtrans-57-36.9178.6-170.6179.2-177.6161.15.4111.9E898 E899 E900 D954R896-E898 VanDerWaalsContact C-N 3.32Å; R896-E898 PolarHBondContact O-N 2.91Å; R896-E899 PolarHBondContact O-N 3.24Å; R896-E900 PolarHBondContact O-N 3.39Å; R896-E900 VanDerWaalsContact O-N 3.08Å; R896-D954 WeakPolarHBondContact CD-OD1 3.34Å
897N85.8Confident84.1Confident6 Ų658 Ų583%0.03233%0.327CS..Hα-helixtrans-61.3-41174.6-173.958.2000112.6T895 F901 R941 Q945 D954 I955T895-N897 PolarHBondContact O-N 3.38Å; N897-F901 WeakPolarHBondContact O-CB 3.43Å; N897-F901 PolarHBondContact O-N 3.44Å; N897-R941 PolarHBondContact O-NH2 3.05Å; N897-R941 PolarHBondContact OD1-NH2 2.94Å; N897-Q945 PolarHBondContact OD1-NE2 2.99Å; N897-D954 WeakPolarHBondContact CB-O 3.48Å; N897-D954 PolarHBondContact N-O 2.78Å; N897-I955 HydrophobicContact CB-CG2 4.41Å
898E87.3Confident84.4Confident15 Ų1554.9 Ų54.97%0.0731%0.31CS..Hα-helixtrans-71.7-35.3177.3-66.5-178.2148.600112.4R818 R823 P893 E894 T895 R896 F901 N902R818-E898 IonicContact NH1-OE1 3.95Å; R818-E898 IonicContact NH1-OE2 2.73Å; R823-E898 HydrophobicContact CG-CG 4.36Å; R823-E898 IonicContact CZ-OE1 2.83Å; R823-E898 IonicContact CZ-OE2 2.72Å; R823-E898 VanDerWaalsContact NE-CG 3.28Å; R823-E898 IonicContact NE-OE1 3.07Å; R823-E898 PolarHBondContact NE-OE1 3.45Å; R823-E898 IonicContact NE-OE2 2.72Å; R823-E898 IonicContact NH2-OE1 3.98Å; R823-E898 PolarHBondContact NH2-OE1 2.8Å; R823-E898 IonicContact NH2-OE2 2.8Å; R823-E898 PolarHBondContact NH2-OE2 2.81Å; P893-E898 HydrophobicContact CB-CB 3.76Å; E894-E898 PolarHBondContact N-OE2 3.37Å; T895-E898 WeakPolarHBondContact O-CA 3.4Å; T895-E898 WeakPolarHBondContact O-CB 3.33Å; T895-E898 PolarHBondContact O-N 3.29Å; T895-E898 VanDerWaalsContact OG1-CG 3.3Å; T895-E898 WeakPolarHBondContact OG1-CG 3.27Å; T895-E898 PolarHBondContact OG1-N 3.19Å; R896-E898 VanDerWaalsContact C-N 3.32Å; R896-E898 PolarHBondContact O-N 2.91Å; E898-F901 PolarHBondContact O-N 3.22Å; E898-N902 VanDerWaalsContact O-CB 3.3Å; E898-N902 WeakPolarHBondContact O-CB 3.33Å; E898-N902 VanDerWaalsContact O-CG 3.28Å; E898-N902 PolarHBondContact O-N 3.11Å; E898-N902 PolarHBondContact O-OD1 3.44Å
899E88Confident84.5Confident113 Ų11349 Ų4953%0.52828%0.28SS..Hα-helixtrans-60.8-46.9173.3-70.1-180165.600111.2P893 T895 R896 N902 A903P893-E899 HydrophobicContact CB-CB 4.34Å; P893-E899 HydrophobicContact CB-CG 3.72Å; P893-E899 HydrophobicContact CG-CG 3.79Å; T895-E899 PolarHBondContact O-N 3.02Å; R896-E899 PolarHBondContact O-N 3.24Å; E899-N902 PolarHBondContact O-N 3.4Å; E899-A903 WeakPolarHBondContact O-CB 3.24Å; E899-A903 PolarHBondContact O-N 2.94Å
900E85.1Confident84.7Confident91 Ų9150.3 Ų50.343%0.42529%0.291SS..Hα-helixtrans-64.3-40176.1-72.7-175.4179.400112.3R896 A903 T904 R941R896-E900 PolarHBondContact O-N 3.39Å; R896-E900 VanDerWaalsContact O-N 3.08Å; E900-A903 PolarHBondContact O-N 2.65Å; E900-T904 WeakPolarHBondContact O-CB 3.33Å; E900-T904 WeakPolarHBondContact O-CG2 3.45Å; E900-T904 PolarHBondContact O-N 2.98Å; E900-T904 VanDerWaalsContact O-N 3.12Å; E900-T904 PolarHBondContact O-OG1 2.99Å; E900-R941 IonicContact OE2-NH1 3.16Å; E900-R941 PolarHBondContact OE2-NH1 3.5Å
901F87.3Confident84.9Confident0 Ų054.6 Ų54.60%030%0.304CS..Hα-helixtrans-60.9-46.7173.8177.1-88.2000110.9R823 E824 W827 N897 E898 A903 T904 V905 I906 L909 L938R823-F901 HydrophobicContact CB-CD1 3.97Å; R823-F901 HydrophobicContact CB-CD2 4.1Å; R823-F901 HydrophobicContact CB-CE1 3.99Å; R823-F901 HydrophobicContact CB-CE2 4.09Å; R823-F901 HydrophobicContact CB-CG 4.05Å; R823-F901 HydrophobicContact CB-CZ 4.06Å; E824-F901 HydrophobicContact CB-CD2 4.11Å; E824-F901 HydrophobicContact CB-CE2 4.12Å; W827-F901 AromaticContact CD1-CZ 3.41Å; W827-F901 VanDerWaalsContact CD1-CZ 3.41Å; W827-F901 HydrophobicContact CG-CZ 4.33Å; W827-F901 AromaticContact NE1-CZ 3.8Å; N897-F901 WeakPolarHBondContact O-CB 3.43Å; N897-F901 PolarHBondContact O-N 3.44Å; E898-F901 PolarHBondContact O-N 3.22Å; F901-A903 VanDerWaalsContact C-N 3.34Å; F901-A903 PolarHBondContact O-N 2.82Å; F901-T904 PolarHBondContact O-N 3.46Å; F901-T904 PolarHBondContact O-OG1 3.29Å; F901-V905 HydrophobicContact CD2-CB 4.11Å; F901-V905 HydrophobicContact CD2-CG2 3.83Å; F901-V905 HydrophobicContact CE1-CB 4.21Å; F901-V905 HydrophobicContact CE1-CG1 4.41Å; F901-V905 HydrophobicContact CE2-CB 3.78Å; F901-V905 HydrophobicContact CE2-CG1 3.82Å; F901-V905 HydrophobicContact CE2-CG2 3.76Å; F901-V905 HydrophobicContact CG-CB 4.46Å; F901-V905 HydrophobicContact CG-CG2 4.45Å; F901-V905 HydrophobicContact CZ-CB 3.81Å; F901-V905 HydrophobicContact CZ-CG1 3.67Å; F901-V905 HydrophobicContact CZ-CG2 4.32Å; F901-V905 WeakPolarHBondContact O-CB 3.45Å; F901-V905 PolarHBondContact O-N 3.18Å; F901-I906 HydrophobicContact CD1-CG1 4.44Å; F901-I906 HydrophobicContact CE1-CG1 4.11Å; F901-L909 HydrophobicContact CZ-CD1 4.31Å; F901-L938 HydrophobicContact CD2-CD2 4.48Å; F901-L938 HydrophobicContact CE2-CD2 3.72Å
902N88.1Confident84.9Confident29 Ų2952.5 Ų52.516%0.15529%0.286CS..Hα-helixtrans-64-38.9178.9-77.610.4000111.7R823 P893 E898 E899 T904 I906 P907R823-N902 PolarHBondContact NH1-OD1 3.35Å; R823-N902 VanDerWaalsContact NH1-OD1 3.1Å; P893-N902 WeakPolarHBondContact CD-ND2 3.32Å; E898-N902 VanDerWaalsContact O-CB 3.3Å; E898-N902 WeakPolarHBondContact O-CB 3.33Å; E898-N902 VanDerWaalsContact O-CG 3.28Å; E898-N902 PolarHBondContact O-N 3.11Å; E898-N902 PolarHBondContact O-OD1 3.44Å; E899-N902 PolarHBondContact O-N 3.4Å; N902-T904 VanDerWaalsContact C-N 3.34Å; N902-T904 PolarHBondContact O-N 2.67Å; N902-I906 HydrophobicContact CB-CD1 4.19Å; N902-I906 HydrophobicContact CB-CG1 4.46Å; N902-I906 WeakPolarHBondContact O-CB 3.49Å; N902-I906 WeakPolarHBondContact OD1-CD1 3.03Å; N902-P907 VanDerWaalsContact O-CD 3.26Å; N902-P907 WeakPolarHBondContact O-CD 3.38Å
903A86.7Confident84.8Confident76 Ų7649.2 Ų49.263%0.62826%0.258SS*.Hα-helixtrans-66.6-34.2177.700000113E899 E900 F901E899-A903 WeakPolarHBondContact O-CB 3.24Å; E899-A903 PolarHBondContact O-N 2.94Å; E900-A903 PolarHBondContact O-N 2.65Å; F901-A903 VanDerWaalsContact C-N 3.34Å; F901-A903 PolarHBondContact O-N 2.82Å
904T84.3Confident84.7Confident70 Ų7051.9 Ų51.943%0.42927%0.27SS..Hα-helixtrans-100.2-40.5-171.154.30000114.2E900 F901 N902E900-T904 WeakPolarHBondContact O-CB 3.33Å; E900-T904 WeakPolarHBondContact O-CG2 3.45Å; E900-T904 PolarHBondContact O-N 2.98Å; E900-T904 VanDerWaalsContact O-N 3.12Å; E900-T904 PolarHBondContact O-OG1 2.99Å; F901-T904 PolarHBondContact O-N 3.46Å; F901-T904 PolarHBondContact O-OG1 3.29Å; N902-T904 VanDerWaalsContact C-N 3.34Å; N902-T904 PolarHBondContact O-N 2.67Å
905V85Confident84.4Confident1 Ų147.1 Ų47.11%0.00625%0.249CC..THydrogen-bonded Turntrans-102.4-39.8-169.4-174.50000112.4F901 L908 L909 L934 L938F901-V905 HydrophobicContact CD2-CB 4.11Å; F901-V905 HydrophobicContact CD2-CG2 3.83Å; F901-V905 HydrophobicContact CE1-CB 4.21Å; F901-V905 HydrophobicContact CE1-CG1 4.41Å; F901-V905 HydrophobicContact CE2-CB 3.78Å; F901-V905 HydrophobicContact CE2-CG1 3.82Å; F901-V905 HydrophobicContact CE2-CG2 3.76Å; F901-V905 HydrophobicContact CG-CB 4.46Å; F901-V905 HydrophobicContact CG-CG2 4.45Å; F901-V905 HydrophobicContact CZ-CB 3.81Å; F901-V905 HydrophobicContact CZ-CG1 3.67Å; F901-V905 HydrophobicContact CZ-CG2 4.32Å; F901-V905 WeakPolarHBondContact O-CB 3.45Å; F901-V905 PolarHBondContact O-N 3.18Å; V905-L908 WeakPolarHBondContact O-CA 3.48Å; V905-L908 WeakPolarHBondContact O-CB 3.43Å; V905-L908 PolarHBondContact O-N 3.4Å; V905-L909 HydrophobicContact CG1-CD1 3.81Å; V905-L909 HydrophobicContact CG1-CG 4.01Å; V905-L909 PolarHBondContact O-N 3.3Å; V905-L934 HydrophobicContact CG1-CD2 3.81Å; V905-L938 HydrophobicContact CG1-CD2 3.99Å; V905-L938 HydrophobicContact CG1-CG 4.46Å; V905-L938 HydrophobicContact CG2-CD2 3.89Å
906I85.6Confident83.7Confident27 Ų2747.5 Ų47.514%0.13825%0.25CS..Hα-helixtrans-59.1-39.9-177.1-72.6-161.7000113.9F901 N902 L908 L909 A910F901-I906 HydrophobicContact CD1-CG1 4.44Å; F901-I906 HydrophobicContact CE1-CG1 4.11Å; N902-I906 HydrophobicContact CB-CD1 4.19Å; N902-I906 HydrophobicContact CB-CG1 4.46Å; N902-I906 WeakPolarHBondContact O-CB 3.49Å; N902-I906 WeakPolarHBondContact OD1-CD1 3.03Å; I906-L908 PolarHBondContact O-N 3.21Å; I906-L909 HydrophobicContact CG1-CD1 4.44Å; I906-L909 PolarHBondContact O-N 3.37Å; I906-L909 VanDerWaalsContact O-N 3.14Å; I906-A910 WeakPolarHBondContact O-CB 3.39Å; I906-A910 PolarHBondContact O-N 2.93Å
907P86.9Confident83.1Confident66 Ų6645.9 Ų45.943%0.42925%0.249SC..Hα-helixtrans-59.9-33.1174.5-25.834000113.2N902 K911N902-P907 VanDerWaalsContact O-CD 3.26Å; N902-P907 WeakPolarHBondContact O-CD 3.38Å; P907-K911 WeakPolarHBondContact O-CG 3.28Å; P907-K911 PolarHBondContact O-N 3.1Å
908L83.9Confident82.3Confident48 Ų4848.8 Ų48.825%0.25127%0.265SS..Hα-helixtrans-74.7-39.5175.8-61175000111.1V905 I906 K911 L912 L934 T937V905-L908 WeakPolarHBondContact O-CA 3.48Å; V905-L908 WeakPolarHBondContact O-CB 3.43Å; V905-L908 PolarHBondContact O-N 3.4Å; I906-L908 PolarHBondContact O-N 3.21Å; L908-K911 PolarHBondContact O-N 3.41Å; L908-L912 PolarHBondContact O-N 2.95Å; L908-L934 HydrophobicContact CB-CD2 3.72Å; L908-L934 HydrophobicContact CB-CG 4.27Å; L908-L934 HydrophobicContact CD1-CD2 4.47Å; L908-T937 HydrophobicContact CD1-CG2 4.42Å
909L82.3Confident81Confident0 Ų053.5 Ų53.50%029%0.291CS..Hα-helixtrans-64.2-42.6174.4-72.4169.2000112W827 Y886 F901 V905 I906 K911 L912 I913 L934W827-L909 HydrophobicContact CD2-CD1 4.24Å; W827-L909 HydrophobicContact CD2-CD2 4.09Å; W827-L909 HydrophobicContact CE3-CD2 3.88Å; W827-L909 HydrophobicContact CH2-CD1 4.33Å; W827-L909 HydrophobicContact CH2-CD2 3.52Å; W827-L909 HydrophobicContact CZ2-CD1 3.64Å; W827-L909 HydrophobicContact CZ2-CD2 3.71Å; W827-L909 HydrophobicContact CZ2-CG 4.3Å; W827-L909 HydrophobicContact CZ3-CD2 3.59Å; Y886-L909 HydrophobicContact CD2-CB 4.02Å; Y886-L909 HydrophobicContact CD2-CD1 4.39Å; Y886-L909 HydrophobicContact CE2-CB 3.84Å; F901-L909 HydrophobicContact CZ-CD1 4.31Å; V905-L909 HydrophobicContact CG1-CD1 3.81Å; V905-L909 HydrophobicContact CG1-CG 4.01Å; V905-L909 PolarHBondContact O-N 3.3Å; I906-L909 HydrophobicContact CG1-CD1 4.44Å; I906-L909 PolarHBondContact O-N 3.37Å; I906-L909 VanDerWaalsContact O-N 3.14Å; L909-K911 VanDerWaalsContact C-N 3.31Å; L909-K911 PolarHBondContact O-N 3.06Å; L909-L912 WeakPolarHBondContact O-CB 3.46Å; L909-L912 PolarHBondContact O-N 3.29Å; L909-L912 VanDerWaalsContact O-N 3.1Å; L909-I913 WeakPolarHBondContact O-CG1 3.37Å; L909-I913 PolarHBondContact O-N 2.86Å; L909-L934 HydrophobicContact CD2-CD1 3.89Å; L909-L934 HydrophobicContact CD2-CD2 3.99Å; L909-L934 HydrophobicContact CG-CD2 4.03Å
910A84.7Confident79.4Confident29 Ų2952.5 Ų52.524%0.2430%0.296CS..Hα-helixtrans-60.9-40.7176.800000111.5I906 I913 N914I906-A910 WeakPolarHBondContact O-CB 3.39Å; I906-A910 PolarHBondContact O-N 2.93Å; A910-I913 PolarHBondContact O-N 3.24Å; A910-N914 WeakPolarHBondContact O-CB 3.28Å; A910-N914 VanDerWaalsContact O-CG 3.29Å; A910-N914 PolarHBondContact O-N 3.4Å; A910-N914 PolarHBondContact O-ND2 2.89Å
911K83.5Confident77.8Confident136 Ų13651.3 Ų51.359%0.59129%0.289SS*.Hα-helixtrans-62.7-42.2172.5-74.7178.3-178.6178.90112.2P907 L908 L909 A915 M930P907-K911 WeakPolarHBondContact O-CG 3.28Å; P907-K911 PolarHBondContact O-N 3.1Å; L908-K911 PolarHBondContact O-N 3.41Å; L909-K911 VanDerWaalsContact C-N 3.31Å; L909-K911 PolarHBondContact O-N 3.06Å; K911-A915 PolarHBondContact O-N 3.38Å; K911-A915 VanDerWaalsContact O-N 3.15Å; K911-M930 HydrophobicContact CB-CE 3.92Å
912L79.8Confident76.2Confident4 Ų456.4 Ų56.42%0.02132%0.316CS..Hα-helixtrans-61.8-46.7176.2-173.783.2000110.9L908 L909 A915 I916 L927 M930 V931 L934L908-L912 PolarHBondContact O-N 2.95Å; L909-L912 WeakPolarHBondContact O-CB 3.46Å; L909-L912 PolarHBondContact O-N 3.29Å; L909-L912 VanDerWaalsContact O-N 3.1Å; L912-A915 CarbonylContact O-C 3.54Å; L912-A915 WeakPolarHBondContact O-CB 3.31Å; L912-A915 PolarHBondContact O-N 3.45Å; L912-A915 VanDerWaalsContact O-N 3.16Å; L912-I916 HydrophobicContact CD2-CD1 3.95Å; L912-I916 HydrophobicContact CG-CD1 3.83Å; L912-I916 HydrophobicContact CG-CG1 4.47Å; L912-I916 VanDerWaalsContact O-CG1 3.28Å; L912-I916 WeakPolarHBondContact O-CG1 3.38Å; L912-I916 PolarHBondContact O-N 3.16Å; L912-L927 HydrophobicContact CD1-CD2 4.29Å; L912-M930 HydrophobicContact CD1-CB 3.44Å; L912-M930 VanDerWaalsContact CD1-CB 3.44Å; L912-V931 HydrophobicContact CD1-CG2 3.82Å; L912-V931 HydrophobicContact CD2-CG2 4.19Å; L912-L934 HydrophobicContact CB-CD1 4.12Å; L912-L934 HydrophobicContact CD1-CD1 4.36Å; L912-L934 HydrophobicContact CD2-CD1 3.82Å; L912-L934 HydrophobicContact CG-CD1 4.31Å
913I79.3Confident75Confident7 Ų758.9 Ų58.94%0.03633%0.329CS..Hα-helixtrans-68-40.7-177-71.9177000111.7L883 Y886 L909 A910 A915 I916 Q917L883-I913 HydrophobicContact CD2-CD1 4.49Å; L883-I913 HydrophobicContact CD2-CG1 4.44Å; L883-I913 HydrophobicContact CD2-CG2 4.02Å; Y886-I913 VanDerWaalsContact CB-CD1 3.43Å; Y886-I913 HydrophobicContact CD1-CD1 3.17Å; Y886-I913 HydrophobicContact CD2-CD1 3.26Å; Y886-I913 HydrophobicContact CE1-CD1 3.57Å; Y886-I913 HydrophobicContact CE2-CD1 3.67Å; Y886-I913 HydrophobicContact CG-CD1 2.96Å; Y886-I913 HydrophobicContact CG-CG1 4.46Å; L909-I913 WeakPolarHBondContact O-CG1 3.37Å; L909-I913 PolarHBondContact O-N 2.86Å; A910-I913 PolarHBondContact O-N 3.24Å; I913-A915 VanDerWaalsContact C-N 3.26Å; I913-A915 PolarHBondContact O-N 3.5Å; I913-I916 CarbonylContact O-C 3.56Å; I913-I916 WeakPolarHBondContact O-CA 3.45Å; I913-I916 WeakPolarHBondContact O-CB 3.44Å; I913-I916 PolarHBondContact O-N 3.36Å; I913-Q917 HydrophobicContact CG2-CG 4.2Å; I913-Q917 WeakPolarHBondContact O-CB 3.4Å; I913-Q917 WeakPolarHBondContact O-CG 3.36Å; I913-Q917 PolarHBondContact O-N 3.45Å
914N80.8Confident73.9Confident105 Ų10557.3 Ų57.356%0.56131%0.31SS*.Hα-helixtrans-58.9-41.3172.2-73.1-14.2000111.1A910 I916 Q917 D918A910-N914 WeakPolarHBondContact O-CB 3.28Å; A910-N914 VanDerWaalsContact O-CG 3.29Å; A910-N914 PolarHBondContact O-N 3.4Å; A910-N914 PolarHBondContact O-ND2 2.89Å; N914-I916 VanDerWaalsContact C-N 3.32Å; N914-I916 PolarHBondContact O-N 3.41Å; N914-Q917 PolarHBondContact O-N 3.15Å; N914-D918 VanDerWaalsContact O-CB 3.27Å; N914-D918 WeakPolarHBondContact O-CB 3.27Å; N914-D918 PolarHBondContact O-N 2.72Å
915A76.2Confident73.1Confident8 Ų859.1 Ų59.17%0.06632%0.316CS..Hα-helixtrans-68.5-28.3174.300000113.3K875 K911 L912 I913 F921 L927 M930K875-A915 PolarHBondContact NZ-O 3.15Å; K911-A915 PolarHBondContact O-N 3.38Å; K911-A915 VanDerWaalsContact O-N 3.15Å; L912-A915 CarbonylContact O-C 3.54Å; L912-A915 WeakPolarHBondContact O-CB 3.31Å; L912-A915 PolarHBondContact O-N 3.45Å; L912-A915 VanDerWaalsContact O-N 3.16Å; I913-A915 VanDerWaalsContact C-N 3.26Å; I913-A915 PolarHBondContact O-N 3.5Å; A915-F921 HydrophobicContact CB-CD1 4.21Å; A915-F921 HydrophobicContact CB-CE1 4.22Å; A915-F921 HydrophobicContact CB-CG 4.44Å; A915-F921 HydrophobicContact CB-CZ 4.47Å; A915-L927 HydrophobicContact CB-CD2 4.08Å; A915-M930 HydrophobicContact CB-SD 4.21Å
916I71.2Confident72.5Confident13 Ų1363.7 Ų63.77%0.06734%0.338CS..Hα-helixtrans-73.3-43.1174.6-68.2163000110.9K875 F879 V882 L912 I913 N914 L927K875-I916 WeakPolarHBondContact CD-O 3.47Å; K875-I916 WeakPolarHBondContact CE-O 3.42Å; K875-I916 PolarHBondContact NZ-O 3.44Å; F879-I916 HydrophobicContact CB-CD1 4.1Å; F879-I916 HydrophobicContact CB-CG2 3.81Å; F879-I916 HydrophobicContact CD1-CD1 3.42Å; F879-I916 VanDerWaalsContact CD1-CD1 3.42Å; F879-I916 HydrophobicContact CD1-CG1 4.11Å; F879-I916 HydrophobicContact CD2-CD1 4.36Å; F879-I916 HydrophobicContact CD2-CG1 4.2Å; F879-I916 HydrophobicContact CD2-CG2 4.2Å; F879-I916 HydrophobicContact CE1-CD1 3.88Å; F879-I916 HydrophobicContact CE1-CG1 4.37Å; F879-I916 HydrophobicContact CE2-CG1 4.46Å; F879-I916 HydrophobicContact CG-CD1 3.71Å; F879-I916 HydrophobicContact CG-CG1 4.03Å; F879-I916 HydrophobicContact CG-CG2 4.06Å; V882-I916 HydrophobicContact CG1-CD1 4.35Å; L912-I916 HydrophobicContact CD2-CD1 3.95Å; L912-I916 HydrophobicContact CG-CD1 3.83Å; L912-I916 HydrophobicContact CG-CG1 4.47Å; L912-I916 VanDerWaalsContact O-CG1 3.28Å; L912-I916 WeakPolarHBondContact O-CG1 3.38Å; L912-I916 PolarHBondContact O-N 3.16Å; I913-I916 CarbonylContact O-C 3.56Å; I913-I916 WeakPolarHBondContact O-CA 3.45Å; I913-I916 WeakPolarHBondContact O-CB 3.44Å; I913-I916 PolarHBondContact O-N 3.36Å; N914-I916 VanDerWaalsContact C-N 3.32Å; N914-I916 PolarHBondContact O-N 3.41Å; I916-L927 HydrophobicContact CG1-CD2 3.53Å
917Q73Confident71.8Confident119 Ų11962.6 Ų62.656%0.55633%0.332SS*.Hα-helixtrans-78.9-24.4-177.5-69.6179.8-14.800113.1I913 N914 N919I913-Q917 HydrophobicContact CG2-CG 4.2Å; I913-Q917 WeakPolarHBondContact O-CB 3.4Å; I913-Q917 WeakPolarHBondContact O-CG 3.36Å; I913-Q917 PolarHBondContact O-N 3.45Å; N914-Q917 PolarHBondContact O-N 3.15Å; Q917-N919 PolarHBondContact O-N 2.8Å
918D69.9Low71Confident67 Ų6759.7 Ų59.736%0.35831%0.313SS..  trans-70.4118.3178-170.4-1.8000111.8K875 N914 S920 F921K875-D918 PolarHBondContact NZ-O 3.01Å; N914-D918 VanDerWaalsContact O-CB 3.27Å; N914-D918 WeakPolarHBondContact O-CB 3.27Å; N914-D918 PolarHBondContact O-N 2.72Å; D918-S920 PolarHBondContact O-N 3.02Å; D918-S920 VanDerWaalsContact OD1-CB 3.29Å; D918-S920 WeakPolarHBondContact OD1-CB 3.42Å; D918-S920 PolarHBondContact OD1-N 3.5Å; D918-S920 PolarHBondContact OD1-OG 3.46Å; D918-F921 HydrophobicContact CB-CB 4.33Å; D918-F921 PolarHBondContact O-N 2.86Å
919N59Low70.8Confident115 Ų11560.8 Ų60.862%0.61532%0.322SS*.THydrogen-bonded Turntrans-69.5-19.1179.4-70.6-30.4000112.7Q872 Q917 F921Q872-N919 PolarHBondContact NE2-OD1 2.89Å; Q917-N919 PolarHBondContact O-N 2.8Å; N919-F921 VanDerWaalsContact C-N 3.3Å
920S54.9Low70.5Confident91 Ų9163.1 Ų63.164%0.63633%0.333SS*.THydrogen-bonded Turntrans-74.5-21.8177.2-30.20000112.6D918 L922D918-S920 PolarHBondContact O-N 3.02Å; D918-S920 VanDerWaalsContact OD1-CB 3.29Å; D918-S920 WeakPolarHBondContact OD1-CB 3.42Å; D918-S920 PolarHBondContact OD1-N 3.5Å; D918-S920 PolarHBondContact OD1-OG 3.46Å; S920-L922 PolarHBondContact O-N 2.93Å; S920-L922 VanDerWaalsContact O-N 3.08Å
921F51.3Low70.2Confident66 Ų6662 Ų6229%0.28932%0.323SS..  trans-8586.3-168-136.5-92.7000111A915 D918 N919 Q926A915-F921 HydrophobicContact CB-CD1 4.21Å; A915-F921 HydrophobicContact CB-CE1 4.22Å; A915-F921 HydrophobicContact CB-CG 4.44Å; A915-F921 HydrophobicContact CB-CZ 4.47Å; D918-F921 HydrophobicContact CB-CB 4.33Å; D918-F921 PolarHBondContact O-N 2.86Å; N919-F921 VanDerWaalsContact C-N 3.3Å; F921-Q926 HydrophobicContact CE1-CB 4.32Å
922L54.1Low69.9Low108 Ų10860.3 Ų60.357%0.56531%0.313SS*.  trans-82-8.4-173.7-83.1156.9000115.2L871 S920 I924L871-L922 HydrophobicContact CD2-CD2 4.46Å; S920-L922 PolarHBondContact O-N 2.93Å; S920-L922 VanDerWaalsContact O-N 3.08Å; L922-I924 PolarHBondContact O-N 2.95Å
923N63Low70.1Confident80 Ų8065.8 Ų65.843%0.42834%0.339SS..  trans-100.290.1-166.4-151.3-10.1000113.2L925 Q926 L927N923-L925 PolarHBondContact O-N 3.4Å; N923-Q926 HydrophobicContact CB-CB 4.04Å; N923-Q926 WeakPolarHBondContact O-CB 3.23Å; N923-Q926 PolarHBondContact O-N 2.82Å; N923-L927 PolarHBondContact O-N 3.31Å
924I63.9Low70.3Confident43 Ų4365.7 Ų65.722%0.22134%0.338CS..Hα-helixtrans-56.7-34.9179.8-56.1172.9000111.7L842 L845 L871 L922 Q926 L927 L928L842-I924 HydrophobicContact CD1-CB 4.22Å; L842-I924 HydrophobicContact CD1-CG2 3.46Å; L842-I924 VanDerWaalsContact CD1-CG2 3.46Å; L842-I924 HydrophobicContact CG-CG2 4.06Å; L845-I924 HydrophobicContact CD1-CD1 4.24Å; L871-I924 HydrophobicContact CD2-CD1 4.27Å; L871-I924 HydrophobicContact CD2-CG1 4.29Å; L871-I924 HydrophobicContact CG-CD1 4.4Å; L922-I924 PolarHBondContact O-N 2.95Å; I924-Q926 PolarHBondContact O-N 3.1Å; I924-L927 PolarHBondContact O-N 2.94Å; I924-L928 WeakPolarHBondContact O-CG 3.21Å; I924-L928 PolarHBondContact O-N 2.77Å
925L67.8Low70.4Confident109 Ų10963.3 Ų63.357%0.57132%0.323SS*.Hα-helixtrans-60.8-34.6176.2-95.6150.9000112.7N923 L928 T929N923-L925 PolarHBondContact O-N 3.4Å; L925-L928 PolarHBondContact O-N 3.5Å; L925-T929 PolarHBondContact O-N 3.43Å; L925-T929 PolarHBondContact O-OG1 3.08Å
926Q71.9Confident70.8Confident97 Ų9771.7 Ų71.745%0.45335%0.354SS..Hα-helixtrans-77.8-35-179.2-145.7168.22.100111.4F921 N923 I924 T929 M930F921-Q926 HydrophobicContact CE1-CB 4.32Å; N923-Q926 HydrophobicContact CB-CB 4.04Å; N923-Q926 WeakPolarHBondContact O-CB 3.23Å; N923-Q926 PolarHBondContact O-N 2.82Å; I924-Q926 PolarHBondContact O-N 3.1Å; Q926-T929 VanDerWaalsContact CA-OG1 3.28Å; Q926-T929 WeakPolarHBondContact CA-OG1 3.29Å; Q926-T929 PolarHBondContact O-N 3.02Å; Q926-T929 PolarHBondContact O-OG1 3.39Å; Q926-M930 WeakPolarHBondContact O-CG 3.38Å; Q926-M930 PolarHBondContact O-N 3.4Å; Q926-M930 VanDerWaalsContact O-N 3.11Å
927L70.4Confident71.4Confident4 Ų473.5 Ų73.52%0.02137%0.365CS..Hα-helixtrans-62.9-44.2168.1-86.2156.2000111.3L912 A915 I916 N923 I924 T929 M930 V931L912-L927 HydrophobicContact CD1-CD2 4.29Å; A915-L927 HydrophobicContact CB-CD2 4.08Å; I916-L927 HydrophobicContact CG1-CD2 3.53Å; N923-L927 PolarHBondContact O-N 3.31Å; I924-L927 PolarHBondContact O-N 2.94Å; L927-T929 VanDerWaalsContact C-N 3.35Å; L927-T929 PolarHBondContact O-N 3Å; L927-M930 WeakPolarHBondContact O-CB 3.41Å; L927-M930 PolarHBondContact O-N 3.34Å; L927-V931 WeakPolarHBondContact O-CG2 3.49Å; L927-V931 PolarHBondContact O-N 2.88Å
928L70.9Confident71.9Confident4 Ų467.8 Ų67.82%0.02134%0.339CS..Hα-helixtrans-63.9-36.6176-75.5-179.8000113A838 L842 I924 L925 M930 V931 R932A838-L928 HydrophobicContact CB-CD2 3.75Å; L842-L928 HydrophobicContact CD1-CD1 3.29Å; L842-L928 HydrophobicContact CD1-CG 4.41Å; I924-L928 WeakPolarHBondContact O-CG 3.21Å; I924-L928 PolarHBondContact O-N 2.77Å; L925-L928 PolarHBondContact O-N 3.5Å; L928-M930 VanDerWaalsContact C-N 3.34Å; L928-V931 PolarHBondContact O-N 3.35Å; L928-R932 VanDerWaalsContact O-CG 3.31Å; L928-R932 WeakPolarHBondContact O-CG 3.35Å; L928-R932 PolarHBondContact O-N 3.45Å
929T78.2Confident72.5Confident72 Ų7266.7 Ų66.744%0.44234%0.336SS..Hα-helixtrans-66.9-36.7173.8420000112.1L925 Q926 L927 R932 Q933L925-T929 PolarHBondContact O-N 3.43Å; L925-T929 PolarHBondContact O-OG1 3.08Å; Q926-T929 VanDerWaalsContact CA-OG1 3.28Å; Q926-T929 WeakPolarHBondContact CA-OG1 3.29Å; Q926-T929 PolarHBondContact O-N 3.02Å; Q926-T929 PolarHBondContact O-OG1 3.39Å; L927-T929 VanDerWaalsContact C-N 3.35Å; L927-T929 PolarHBondContact O-N 3Å; T929-R932 PolarHBondContact O-N 3.26Å; T929-Q933 WeakPolarHBondContact O-CB 3.44Å; T929-Q933 PolarHBondContact O-N 2.91Å
930M77.7Confident73.7Confident48 Ų4865 Ų6524%0.23633%0.33CS..Hα-helixtrans-64.1-42.2172.7-67.4179.382.100111.8K911 L912 A915 Q926 L927 L928 Q933 L934K911-M930 HydrophobicContact CB-CE 3.92Å; L912-M930 HydrophobicContact CD1-CB 3.44Å; L912-M930 VanDerWaalsContact CD1-CB 3.44Å; A915-M930 HydrophobicContact CB-SD 4.21Å; Q926-M930 WeakPolarHBondContact O-CG 3.38Å; Q926-M930 PolarHBondContact O-N 3.4Å; Q926-M930 VanDerWaalsContact O-N 3.11Å; L927-M930 WeakPolarHBondContact O-CB 3.41Å; L927-M930 PolarHBondContact O-N 3.34Å; L928-M930 VanDerWaalsContact C-N 3.34Å; M930-Q933 PolarHBondContact O-N 3.48Å; M930-L934 PolarHBondContact O-N 3.42Å
931V77.3Confident74.9Confident5 Ų562.3 Ų62.33%0.0331%0.306CS..Hα-helixtrans-61.5-45.1174.4172.50000111.5I831 F879 L912 L927 L928 Q933 L934 H935I831-V931 HydrophobicContact CB-CG1 4.45Å; I831-V931 HydrophobicContact CG1-CG1 4.36Å; I831-V931 HydrophobicContact CG2-CG1 3.47Å; I831-V931 VanDerWaalsContact CG2-CG1 3.47Å; F879-V931 HydrophobicContact CE1-CG2 4.25Å; L912-V931 HydrophobicContact CD1-CG2 3.82Å; L912-V931 HydrophobicContact CD2-CG2 4.19Å; L927-V931 WeakPolarHBondContact O-CG2 3.49Å; L927-V931 PolarHBondContact O-N 2.88Å; L928-V931 PolarHBondContact O-N 3.35Å; V931-Q933 VanDerWaalsContact C-N 3.31Å; V931-Q933 PolarHBondContact O-N 3.23Å; V931-L934 WeakPolarHBondContact O-CB 3.27Å; V931-L934 PolarHBondContact O-N 3.48Å; V931-H935 PolarHBondContact O-N 2.67Å
932R78.5Confident76.1Confident102 Ų10259.5 Ų59.539%0.38529%0.294SS..Hα-helixtrans-65.1-34.2176.3-71.1178.5-158.9164.15.8112.8L928 T929 H935 R936L928-R932 VanDerWaalsContact O-CG 3.31Å; L928-R932 WeakPolarHBondContact O-CG 3.35Å; L928-R932 PolarHBondContact O-N 3.45Å; T929-R932 PolarHBondContact O-N 3.26Å; R932-H935 PolarHBondContact O-N 3.02Å; R932-R936 WeakPolarHBondContact O-CG 3.29Å; R932-R936 PolarHBondContact O-N 2.91Å
933Q83.8Confident77Confident119 Ų11956.7 Ų56.756%0.55628%0.283SS*.Hα-helixtrans-65.3-45.4174.9-172.9176-4.600110.5T929 M930 V931 H935 R936 T937T929-Q933 WeakPolarHBondContact O-CB 3.44Å; T929-Q933 PolarHBondContact O-N 2.91Å; M930-Q933 PolarHBondContact O-N 3.48Å; V931-Q933 VanDerWaalsContact C-N 3.31Å; V931-Q933 PolarHBondContact O-N 3.23Å; Q933-H935 PolarHBondContact O-N 3.24Å; Q933-R936 PolarHBondContact O-N 3.38Å; Q933-T937 PolarHBondContact O-N 3.37Å; Q933-T937 VanDerWaalsContact O-N 3.11Å; Q933-T937 PolarHBondContact O-OG1 2.86Å
934L82.6Confident77.3Confident4 Ų461.7 Ų61.72%0.02130%0.296CS..Hα-helixtrans-56.6-47.3171.7-87.3158.7000111.7I831 V905 L908 L909 L912 M930 V931 R936 T937 L938I831-L934 HydrophobicContact CD1-CB 4.09Å; V905-L934 HydrophobicContact CG1-CD2 3.81Å; L908-L934 HydrophobicContact CB-CD2 3.72Å; L908-L934 HydrophobicContact CB-CG 4.27Å; L908-L934 HydrophobicContact CD1-CD2 4.47Å; L909-L934 HydrophobicContact CD2-CD1 3.89Å; L909-L934 HydrophobicContact CD2-CD2 3.99Å; L909-L934 HydrophobicContact CG-CD2 4.03Å; L912-L934 HydrophobicContact CB-CD1 4.12Å; L912-L934 HydrophobicContact CD1-CD1 4.36Å; L912-L934 HydrophobicContact CD2-CD1 3.82Å; L912-L934 HydrophobicContact CG-CD1 4.31Å; M930-L934 PolarHBondContact O-N 3.42Å; V931-L934 WeakPolarHBondContact O-CB 3.27Å; V931-L934 PolarHBondContact O-N 3.48Å; L934-R936 VanDerWaalsContact C-N 3.32Å; L934-R936 PolarHBondContact O-N 3.2Å; L934-T937 PolarHBondContact O-N 3.23Å; L934-L938 WeakPolarHBondContact O-CB 3.4Å; L934-L938 VanDerWaalsContact O-CG 3.3Å; L934-L938 WeakPolarHBondContact O-CG 3.29Å; L934-L938 PolarHBondContact O-N 3.47Å
935H83.5Confident77.4Confident55 Ų5561.1 Ų61.126%0.25529%0.293SS..Hα-helixtrans-56.8-44.1177.8-174.8-91.2000112.5I831 V931 R932 Q933 L938 S939I831-H935 HydrophobicContact CG2-CB 3.86Å; V931-H935 PolarHBondContact O-N 2.67Å; R932-H935 PolarHBondContact O-N 3.02Å; Q933-H935 PolarHBondContact O-N 3.24Å; H935-L938 PolarHBondContact O-N 3.42Å; H935-S939 PolarHBondContact CE1-OG 3.12Å; H935-S939 VanDerWaalsContact CE1-OG 3.24Å; H935-S939 PolarHBondContact ND1-OG 2.75Å; H935-S939 VanDerWaalsContact O-CB 3.27Å; H935-S939 WeakPolarHBondContact O-CB 2.97Å; H935-S939 PolarHBondContact O-N 3.34Å; H935-S939 PolarHBondContact O-OG 3.29Å
936R83.3Confident77.1Confident185 Ų18559.1 Ų59.170%0.69828%0.28SS*.Hα-helixtrans-61.9-47.7177.7-74.4175.5-177.1176.80.2111.5R932 Q933 L934 S939 T940R932-R936 WeakPolarHBondContact O-CG 3.29Å; R932-R936 PolarHBondContact O-N 2.91Å; Q933-R936 PolarHBondContact O-N 3.38Å; L934-R936 VanDerWaalsContact C-N 3.32Å; L934-R936 PolarHBondContact O-N 3.2Å; R936-S939 PolarHBondContact O-N 3.27Å; R936-T940 PolarHBondContact O-N 3.49Å; R936-T940 PolarHBondContact O-OG1 2.82Å
937T85.1Confident76.5Confident50 Ų5060.7 Ų60.731%0.30729%0.292SS..Hα-helixtrans-61.5-44.9179-56.10000111.4L908 Q933 L934 T940 R941L908-T937 HydrophobicContact CD1-CG2 4.42Å; Q933-T937 PolarHBondContact O-N 3.37Å; Q933-T937 VanDerWaalsContact O-N 3.11Å; Q933-T937 PolarHBondContact O-OG1 2.86Å; L934-T937 PolarHBondContact O-N 3.23Å; T937-T940 PolarHBondContact O-N 3.44Å; T937-T940 PolarHBondContact O-OG1 2.83Å; T937-R941 PolarHBondContact O-N 3.43Å
938L83.3Confident76Confident0 Ų066.3 Ų66.30%032%0.322CS..Hα-helixtrans-65.3-42177.7-71.5165.6000112.3E824 W827 L828 I831 F901 V905 L934 H935 T940 R941 S942E824-L938 HydrophobicContact CB-CD2 3.85Å; W827-L938 HydrophobicContact CB-CD1 3.64Å; W827-L938 HydrophobicContact CB-CD2 4.37Å; L828-L938 HydrophobicContact CD1-CB 4.4Å; L828-L938 HydrophobicContact CD2-CB 3.64Å; L828-L938 HydrophobicContact CG-CB 3.83Å; I831-L938 HydrophobicContact CD1-CD1 3.5Å; F901-L938 HydrophobicContact CD2-CD2 4.48Å; F901-L938 HydrophobicContact CE2-CD2 3.72Å; V905-L938 HydrophobicContact CG1-CD2 3.99Å; V905-L938 HydrophobicContact CG1-CG 4.46Å; V905-L938 HydrophobicContact CG2-CD2 3.89Å; L934-L938 WeakPolarHBondContact O-CB 3.4Å; L934-L938 VanDerWaalsContact O-CG 3.3Å; L934-L938 WeakPolarHBondContact O-CG 3.29Å; L934-L938 PolarHBondContact O-N 3.47Å; H935-L938 PolarHBondContact O-N 3.42Å; L938-T940 PolarHBondContact O-N 3.14Å; L938-R941 PolarHBondContact O-N 2.85Å; L938-S942 PolarHBondContact O-N 2.96Å
939S83Confident76Confident43 Ų4369.4 Ų69.430%0.30134%0.344SS..Hα-helixtrans-64-41179.1-65.40000111.8H935 R936 R941 S943H935-S939 PolarHBondContact CE1-OG 3.12Å; H935-S939 VanDerWaalsContact CE1-OG 3.24Å; H935-S939 PolarHBondContact ND1-OG 2.75Å; H935-S939 VanDerWaalsContact O-CB 3.27Å; H935-S939 WeakPolarHBondContact O-CB 2.97Å; H935-S939 PolarHBondContact O-N 3.34Å; H935-S939 PolarHBondContact O-OG 3.29Å; R936-S939 PolarHBondContact O-N 3.27Å; S939-R941 VanDerWaalsContact C-N 3.29Å; S939-R941 PolarHBondContact O-N 2.9Å; S939-S943 PolarHBondContact O-N 3.11Å; S939-S943 PolarHBondContact O-OG 2.67Å
940T82.9Confident76Confident80 Ų8066.8 Ų66.849%0.49133%0.327SS..Hα-helixtrans-65.1-36.4177.110.30000111.5R936 T937 L938 S943 R944R936-T940 PolarHBondContact O-N 3.49Å; R936-T940 PolarHBondContact O-OG1 2.82Å; T937-T940 PolarHBondContact O-N 3.44Å; T937-T940 PolarHBondContact O-OG1 2.83Å; L938-T940 PolarHBondContact O-N 3.14Å; T940-S943 PolarHBondContact O-OG 3.03Å; T940-R944 PolarHBondContact O-N 2.87Å
941R79.7Confident76.3Confident35 Ų3570.6 Ų70.613%0.13234%0.342CS..Hα-helixtrans-68.6-49.1177.5-146.4-178113.584.41.1112.1E824 N897 E900 T937 L938 S939 S943 R944 Q945E824-R941 IonicContact OE1-NE 3.71Å; E824-R941 IonicContact OE1-NH2 2.58Å; E824-R941 IonicContact OE2-CZ 2.63Å; E824-R941 VanDerWaalsContact OE2-CZ 3.22Å; E824-R941 IonicContact OE2-NE 3.55Å; E824-R941 PolarHBondContact OE2-NE 3.35Å; E824-R941 IonicContact OE2-NH2 3.83Å; E824-R941 PolarHBondContact OE2-NH2 2.86Å; N897-R941 PolarHBondContact O-NH2 3.05Å; N897-R941 PolarHBondContact OD1-NH2 2.94Å; E900-R941 IonicContact OE2-NH1 3.16Å; E900-R941 PolarHBondContact OE2-NH1 3.5Å; T937-R941 PolarHBondContact O-N 3.43Å; L938-R941 PolarHBondContact O-N 2.85Å; S939-R941 VanDerWaalsContact C-N 3.29Å; S939-R941 PolarHBondContact O-N 2.9Å; R941-S943 VanDerWaalsContact C-N 3.33Å; R941-S943 PolarHBondContact O-N 2.95Å; R941-R944 PolarHBondContact O-N 2.93Å; R941-R944 VanDerWaalsContact O-N 3.1Å; R941-Q945 PolarHBondContact O-N 3.13Å
942S77.6Confident76.8Confident7 Ų770.5 Ų70.55%0.04934%0.341CS..Hα-helixtrans-54.1-46.8175.5-175.70000111.7L938 R944 Q945 E946L938-S942 PolarHBondContact O-N 2.96Å; S942-R944 VanDerWaalsContact C-N 3.26Å; S942-R944 PolarHBondContact O-N 3.28Å; S942-Q945 PolarHBondContact O-N 3.42Å; S942-Q945 VanDerWaalsContact O-N 3.15Å; S942-E946 VanDerWaalsContact O-CG 3.29Å; S942-E946 WeakPolarHBondContact O-CG 3.42Å; S942-E946 PolarHBondContact O-N 3.49Å; S942-E946 PolarHBondContact OG-OE1 3.31Å
943S73.4Confident77.2Confident48 Ų4870.4 Ų70.434%0.33635%0.348SS..Hα-helixtrans-63-28.7-179.369.40000114.3S939 T940 R941 N947S939-S943 PolarHBondContact O-N 3.11Å; S939-S943 PolarHBondContact O-OG 2.67Å; T940-S943 PolarHBondContact O-OG 3.03Å; R941-S943 VanDerWaalsContact C-N 3.33Å; R941-S943 PolarHBondContact O-N 2.95Å; S943-N947 PolarHBondContact O-ND2 3.37Å
944R69.5Low77.3Confident186 Ų18667.1 Ų67.170%0.70234%0.335SS*.Hα-helixtrans-74-40.9176.6-75.7179.2176.5177.2-0.3110.5T940 R941 S942 E946 L948T940-R944 PolarHBondContact O-N 2.87Å; R941-R944 PolarHBondContact O-N 2.93Å; R941-R944 VanDerWaalsContact O-N 3.1Å; S942-R944 VanDerWaalsContact C-N 3.26Å; S942-R944 PolarHBondContact O-N 3.28Å; R944-E946 VanDerWaalsContact C-N 3.32Å; R944-L948 WeakPolarHBondContact O-CD1 3.33Å
945Q65.7Low77.5Confident31 Ų3167.1 Ų67.115%0.14534%0.335CS..Hα-helixtrans-67.5-31.9175.5-73.4-167.2-9.400112.8E824 N897 R941 S942 N947 L948 L950E824-Q945 PolarHBondContact OE1-OE1 3.37Å; E824-Q945 VanDerWaalsContact OE1-OE1 3.09Å; N897-Q945 PolarHBondContact OD1-NE2 2.99Å; R941-Q945 PolarHBondContact O-N 3.13Å; S942-Q945 PolarHBondContact O-N 3.42Å; S942-Q945 VanDerWaalsContact O-N 3.15Å; Q945-N947 VanDerWaalsContact C-N 3.35Å; Q945-N947 PolarHBondContact O-N 2.65Å; Q945-L948 PolarHBondContact O-N 2.99Å; Q945-L950 HydrophobicContact CB-CD2 3.94Å; Q945-L950 HydrophobicContact CG-CD2 3.91Å
946E60.8Low77.8Confident66 Ų6664.5 Ų64.531%0.30832%0.323SS..Hα-helixtrans-66.9-32.6178.8-75.2165.9-15900113.6S942 R944 K996S942-E946 VanDerWaalsContact O-CG 3.29Å; S942-E946 WeakPolarHBondContact O-CG 3.42Å; S942-E946 PolarHBondContact O-N 3.49Å; S942-E946 PolarHBondContact OG-OE1 3.31Å; R944-E946 VanDerWaalsContact C-N 3.32Å; E946-K996 IonicContact OE1-NZ 2.7Å; E946-K996 PolarHBondContact OE1-NZ 2.97Å
947N59.6Low78.1Confident131 Ų13157.9 Ų57.970%0.70130%0.303SS*.Hα-helixtrans-87.3-11.2-178.4-69.6-23.5000113.4S943 Q945S943-N947 PolarHBondContact O-ND2 3.37Å; Q945-N947 VanDerWaalsContact C-N 3.35Å; Q945-N947 PolarHBondContact O-N 2.65Å
948L60.3Low78.3Confident122 Ų12258.5 Ų58.564%0.63931%0.305SS*.SBendtrans-111.1137-179.4-82.3146.8000108.9R944 Q945 L950R944-L948 WeakPolarHBondContact O-CD1 3.33Å; Q945-L948 PolarHBondContact O-N 2.99Å; L948-L950 PolarHBondContact O-N 3.46Å
949S69.6Low78.6Confident69 Ų6958.6 Ų58.648%0.48331%0.305SS..  trans-59.8111.3167580000108.2T988S949-T988 CarbonylContact C-O 3.16Å; S949-T988 WeakPolarHBondContact CA-O 3.49Å
950L78Confident78.8Confident16 Ų1657.8 Ų57.88%0.08430%0.301CS..EExtended strand (participates in β ladder)trans-61.3135.1175.1-77.4171000108.6Q945 L948 T988 V990Q945-L950 HydrophobicContact CB-CD2 3.94Å; Q945-L950 HydrophobicContact CG-CD2 3.91Å; L948-L950 PolarHBondContact O-N 3.46Å; L950-T988 WeakPolarHBondContact CB-OG1 3.46Å; L950-T988 PolarHBondContact N-O 2.88Å; L950-T988 PolarHBondContact O-N 2.83Å; L950-T988 PolarHBondContact O-OG1 3.09Å; L950-V990 HydrophobicContact CD1-CG2 3.64Å
951K85.4Confident79.1Confident128 Ų12857.7 Ų57.756%0.55730%0.304SS*.EExtended strand (participates in β ladder)trans-85.7132.7172.7-66.6-179.8179177.70109.1D953 D954 S986K951-D953 PolarHBondContact O-N 3.49Å; K951-D954 PolarHBondContact O-N 3.35Å; K951-D954 VanDerWaalsContact O-N 3.08Å; K951-S986 VanDerWaalsContact CA-O 3.3Å; K951-S986 WeakPolarHBondContact CA-O 3.19Å
952I86.5Confident79.5Confident4 Ų456.7 Ų56.72%0.02130%0.301CS..Hα-helixtrans-56.3-35.9177.5-165.769.8000111.4I819 D954 I955 S956 L959 A960 V984 S986 T988 L1000I819-I952 HydrophobicContact CD1-CD1 4.46Å; I952-D954 VanDerWaalsContact C-N 3.27Å; I952-D954 PolarHBondContact O-N 2.9Å; I952-I955 HydrophobicContact CD1-CD1 4.05Å; I952-I955 HydrophobicContact CD1-CG1 4.2Å; I952-I955 VanDerWaalsContact O-CG1 3.3Å; I952-I955 WeakPolarHBondContact O-CG1 3.49Å; I952-I955 PolarHBondContact O-N 3.3Å; I952-I955 VanDerWaalsContact O-N 3.15Å; I952-S956 CarbonylContact O-C 3.55Å; I952-S956 PolarHBondContact O-N 3.44Å; I952-L959 HydrophobicContact CD1-CB 4.49Å; I952-L959 HydrophobicContact CD1-CD1 4.41Å; I952-L959 HydrophobicContact CG1-CB 4.21Å; I952-A960 HydrophobicContact CG2-CB 3.8Å; I952-V984 HydrophobicContact CD1-CG1 4.31Å; I952-V984 HydrophobicContact CG1-CG1 4.13Å; I952-S986 PolarHBondContact N-O 2.93Å; I952-T988 HydrophobicContact CB-CG2 3.98Å; I952-T988 HydrophobicContact CD1-CG2 3.82Å; I952-T988 HydrophobicContact CG1-CG2 4.47Å; I952-L1000 HydrophobicContact CD1-CD2 3.72Å
953D86.9Confident80Confident100 Ų10064.1 Ų64.154%0.53533%0.332SS..Hα-helixtrans-62.2-31.7180-14428.9000113K951 A960K951-D953 PolarHBondContact O-N 3.49Å; D953-A960 HydrophobicContact CB-CB 4.07Å; D953-A960 WeakPolarHBondContact OD1-CB 3.3Å
954D85.6Confident80.6Confident50 Ų5067.5 Ų67.527%0.26735%0.347SS..Hα-helixtrans-78.6-25.4179.7-64.8-34.1000112R896 N897 K951 I952R896-D954 WeakPolarHBondContact CD-OD1 3.34Å; N897-D954 WeakPolarHBondContact CB-O 3.48Å; N897-D954 PolarHBondContact N-O 2.78Å; K951-D954 PolarHBondContact O-N 3.35Å; K951-D954 VanDerWaalsContact O-N 3.08Å; I952-D954 VanDerWaalsContact C-N 3.27Å; I952-D954 PolarHBondContact O-N 2.9Å
955I87.1Confident81.5Confident4 Ų459.2 Ų59.22%0.02132%0.317CS..Hα-helixtrans-106-25.3-175.759.4173.6000114.3I819 L822 T895 N897 I952 T988I819-I955 HydrophobicContact CG2-CB 4.24Å; I819-I955 HydrophobicContact CG2-CD1 4.36Å; I819-I955 HydrophobicContact CG2-CG1 4.28Å; I819-I955 WeakPolarHBondContact CG2-O 3.43Å; L822-I955 HydrophobicContact CD2-CB 4.38Å; L822-I955 HydrophobicContact CD2-CG2 4.01Å; T895-I955 WeakPolarHBondContact CG2-O 3.49Å; N897-I955 HydrophobicContact CB-CG2 4.41Å; I952-I955 HydrophobicContact CD1-CD1 4.05Å; I952-I955 HydrophobicContact CD1-CG1 4.2Å; I952-I955 VanDerWaalsContact O-CG1 3.3Å; I952-I955 WeakPolarHBondContact O-CG1 3.49Å; I952-I955 PolarHBondContact O-N 3.3Å; I952-I955 VanDerWaalsContact O-N 3.15Å; I955-T988 HydrophobicContact CD1-CG2 4.47Å
956S90.8Very high82.5Confident0 Ų062.5 Ų62.50%033%0.332CS..  trans-158.295.1173.4178.30000109.8E815 I952 N958 L959 A960E815-S956 WeakPolarHBondContact OE2-CB 3.4Å; E815-S956 PolarHBondContact OE2-OG 2.83Å; I952-S956 CarbonylContact O-C 3.55Å; I952-S956 PolarHBondContact O-N 3.44Å; S956-N958 PolarHBondContact O-N 3.45Å; S956-L959 PolarHBondContact O-N 3.19Å; S956-L959 WeakPolarHBondContact OG-CB 3.38Å; S956-L959 VanDerWaalsContact OG-CG 3.29Å; S956-L959 WeakPolarHBondContact OG-CG 3.31Å; S956-L959 PolarHBondContact OG-N 2.74Å; S956-A960 PolarHBondContact O-N 3.28Å; S956-A960 VanDerWaalsContact O-N 3.11Å
957P89Confident83.9Confident45 Ų4559.4 Ų59.429%0.29232%0.318SS..Hα-helixtrans-65.2-29.617726.6-33.1000111.5A960 S961P957-A960 PolarHBondContact O-N 3.19Å; P957-S961 WeakPolarHBondContact O-CB 3.39Å; P957-S961 PolarHBondContact O-N 2.92Å; P957-S961 PolarHBondContact O-OG 2.9Å
958N89.8Confident85.4Confident64 Ų6453.6 Ų53.634%0.34229%0.287SS..Hα-helixtrans-61.4-49.6175.5-71-25.2000111M811 E815 S956 A960 S961 L962M811-N958 HydrophobicContact SD-CB 3.78Å; E815-N958 HydrophobicContact CG-CB 3.8Å; E815-N958 PolarHBondContact OE1-ND2 3Å; S956-N958 PolarHBondContact O-N 3.45Å; N958-A960 VanDerWaalsContact C-N 3.34Å; N958-A960 PolarHBondContact O-N 3.38Å; N958-S961 PolarHBondContact O-N 2.93Å; N958-S961 PolarHBondContact O-OG 3.45Å; N958-L962 PolarHBondContact O-N 3.22Å
959L88.6Confident86.7Confident1 Ų149.4 Ų49.41%0.00527%0.265CS..Hα-helixtrans-64.8-37.2175.6-70.6175.6000112.6F812 E815 L816 I819 I952 S956 S961 L962F812-L959 HydrophobicContact CD2-CD2 3.37Å; F812-L959 HydrophobicContact CE2-CD2 3.8Å; F812-L959 HydrophobicContact CG-CD2 4.34Å; E815-L959 HydrophobicContact CB-CD1 3.81Å; E815-L959 HydrophobicContact CB-CD2 3.97Å; E815-L959 HydrophobicContact CB-CG 3.6Å; E815-L959 HydrophobicContact CG-CG 4.31Å; L816-L959 HydrophobicContact CD2-CD1 4.19Å; I819-L959 HydrophobicContact CD1-CD1 3.85Å; I952-L959 HydrophobicContact CD1-CB 4.49Å; I952-L959 HydrophobicContact CD1-CD1 4.41Å; I952-L959 HydrophobicContact CG1-CB 4.21Å; S956-L959 PolarHBondContact O-N 3.19Å; S956-L959 WeakPolarHBondContact OG-CB 3.38Å; S956-L959 VanDerWaalsContact OG-CG 3.29Å; S956-L959 WeakPolarHBondContact OG-CG 3.31Å; S956-L959 PolarHBondContact OG-N 2.74Å; L959-S961 VanDerWaalsContact C-N 3.29Å; L959-S961 PolarHBondContact O-N 3.41Å; L959-L962 HydrophobicContact CD2-CD1 3.88Å; L959-L962 WeakPolarHBondContact O-CB 3.44Å; L959-L962 PolarHBondContact O-N 3.31Å
960A88Confident87.3Confident26 Ų2649.9 Ų49.922%0.21527%0.267CS..Hα-helixtrans-65.1-34.1177.500000112.8I952 D953 S956 P957 N958 L962I952-A960 HydrophobicContact CG2-CB 3.8Å; D953-A960 HydrophobicContact CB-CB 4.07Å; D953-A960 WeakPolarHBondContact OD1-CB 3.3Å; S956-A960 PolarHBondContact O-N 3.28Å; S956-A960 VanDerWaalsContact O-N 3.11Å; P957-A960 PolarHBondContact O-N 3.19Å; N958-A960 VanDerWaalsContact C-N 3.34Å; N958-A960 PolarHBondContact O-N 3.38Å; A960-L962 VanDerWaalsContact C-N 3.29Å; A960-L962 PolarHBondContact O-N 3.26Å
961S89.7Confident87.3Confident79 Ų7956.7 Ų56.755%0.55230%0.303SS*.Hα-helixtrans-74.9-17.6179.877.30000113.7P957 N958 L959 K963P957-S961 WeakPolarHBondContact O-CB 3.39Å; P957-S961 PolarHBondContact O-N 2.92Å; P957-S961 PolarHBondContact O-OG 2.9Å; N958-S961 PolarHBondContact O-N 2.93Å; N958-S961 PolarHBondContact O-OG 3.45Å; L959-S961 VanDerWaalsContact C-N 3.29Å; L959-S961 PolarHBondContact O-N 3.41Å; S961-K963 PolarHBondContact O-N 3.28Å; S961-K963 VanDerWaalsContact O-N 3.14Å
962L87.3Confident87.2Confident14 Ų1453.4 Ų53.47%0.07329%0.294CS..  trans-62.5115.8-178.4-70.8-179.6000111M811 F812 N958 L959 A960 T965 L981M811-L962 HydrophobicContact CE-CD1 4.21Å; M811-L962 HydrophobicContact CE-CD2 3.45Å; M811-L962 VanDerWaalsContact CE-CD2 3.45Å; M811-L962 HydrophobicContact CE-CG 4.08Å; F812-L962 HydrophobicContact CD2-CD1 3.9Å; N958-L962 PolarHBondContact O-N 3.22Å; L959-L962 HydrophobicContact CD2-CD1 3.88Å; L959-L962 WeakPolarHBondContact O-CB 3.44Å; L959-L962 PolarHBondContact O-N 3.31Å; A960-L962 VanDerWaalsContact C-N 3.29Å; A960-L962 PolarHBondContact O-N 3.26Å; L962-T965 HydrophobicContact CB-CG2 3.95Å; L962-T965 HydrophobicContact CD2-CG2 3.73Å; L962-T965 HydrophobicContact CG-CG2 4.28Å; L962-L981 HydrophobicContact CD1-CD2 4.28Å
963K88Confident87Confident162 Ų16258.5 Ų58.570%0.70431%0.313SS*.BIsolated β-bridgetrans-135.5130.2175.2-70-176.4-178.5175.90110.8S961 T965 R982S961-K963 PolarHBondContact O-N 3.28Å; S961-K963 VanDerWaalsContact O-N 3.14Å; K963-T965 PolarHBondContact O-N 3.11Å; K963-R982 CarbonylContact C-O 3.54Å; K963-R982 VanDerWaalsContact CA-O 3.32Å; K963-R982 WeakPolarHBondContact CA-O 3.39Å
964N87.3Confident86.8Confident119 Ų11960 Ų6064%0.63632%0.316SS*.SBendtrans49.655.9178.9-54.1-40.7000112.3R982N964-R982 PolarHBondContact N-O 2.85Å; N964-R982 VanDerWaalsContact OD1-CG 3.23Å; N964-R982 WeakPolarHBondContact OD1-CG 3.35Å
965T87.8Confident86.5Confident12 Ų1261.1 Ų61.17%0.07434%0.339CS..  trans-80.1160.6179.370.50000111.3L962 K963 I967 T980 L981L962-T965 HydrophobicContact CB-CG2 3.95Å; L962-T965 HydrophobicContact CD2-CG2 3.73Å; L962-T965 HydrophobicContact CG-CG2 4.28Å; K963-T965 PolarHBondContact O-N 3.11Å; T965-I967 VanDerWaalsContact C-N 3.27Å; T965-I967 PolarHBondContact OG1-N 3.41Å; T965-T980 VanDerWaalsContact O-CB 3.31Å; T965-T980 WeakPolarHBondContact O-CB 3.46Å; T965-T980 PolarHBondContact O-OG1 3.18Å; T965-L981 PolarHBondContact N-O 3.01Å; T965-L981 WeakPolarHBondContact OG1-CB 3.5Å; T965-L981 PolarHBondContact OG1-O 3.03Å
966E87.1Confident86.1Confident100 Ų10063.4 Ų63.447%0.46736%0.364SS..  trans-86.40.2171.8-66.5-179.2-177.700112.4N802 L805 P968N802-E966 PolarHBondContact ND2-OE2 3.05Å; L805-E966 HydrophobicContact CD1-CB 4.27Å; L805-E966 WeakPolarHBondContact CD1-O 3.24Å; E966-P968 VanDerWaalsContact O-CD 3.3Å; E966-P968 WeakPolarHBondContact O-CD 3.34Å
967I90.2Very high85.7Confident2 Ų270.1 Ų70.11%0.0140%0.396CS..PPolyproline II helixtrans-63.6118-178.4-57173.3000108.6F768 L805 D808 F812 T965 T980 L981F768-I967 HydrophobicContact CZ-CG2 3.9Å; L805-I967 HydrophobicContact CD1-CG1 4.36Å; D808-I967 HydrophobicContact CB-CD1 4.12Å; D808-I967 HydrophobicContact CB-CG1 4.21Å; F812-I967 HydrophobicContact CB-CD1 3.84Å; F812-I967 HydrophobicContact CD2-CD1 4.46Å; F812-I967 HydrophobicContact CG-CD1 4.13Å; T965-I967 VanDerWaalsContact C-N 3.27Å; T965-I967 PolarHBondContact OG1-N 3.41Å; I967-T980 CarbonylContact O-C 3.59Å; I967-T980 VanDerWaalsContact O-CA 3.24Å; I967-T980 WeakPolarHBondContact O-CA 3.38Å; I967-L981 HydrophobicContact CB-CB 4.43Å; I967-L981 PolarHBondContact O-N 2.69Å
968P90.2Very high85.5Confident9 Ų970.2 Ų70.26%0.05840%0.396CS..EExtended strand (participates in β ladder)trans-70.4139.5177.128.2-32.2000110.2E764 L767 F768 E966 P978E764-P968 HydrophobicContact CB-CB 3.96Å; E764-P968 HydrophobicContact CB-CG 3.71Å; L767-P968 HydrophobicContact CD2-CG 3.98Å; F768-P968 HydrophobicContact CE2-CG 4.29Å; F768-P968 VanDerWaalsContact CE2-O 3.23Å; F768-P968 WeakPolarHBondContact CE2-O 3.28Å; F768-P968 WeakPolarHBondContact CZ-O 3.47Å; E966-P968 VanDerWaalsContact O-CD 3.3Å; E966-P968 WeakPolarHBondContact O-CD 3.34Å; P968-P978 HydrophobicContact CB-CB 4.16Å
969I88Confident85.5Confident34 Ų3467.2 Ų67.217%0.17438%0.38CS..EExtended strand (participates in β ladder)trans-77125.9169.8-59.8179.2000107.5D971 V972 V979 L981I969-D971 PolarHBondContact O-N 3.29Å; I969-V972 HydrophobicContact CB-CB 4.19Å; I969-V972 HydrophobicContact CB-CG2 4.34Å; I969-V972 HydrophobicContact CG2-CB 4.05Å; I969-V972 HydrophobicContact CG2-CG2 3.64Å; I969-V972 PolarHBondContact O-N 3.01Å; I969-V979 HydrophobicContact CD1-CG1 4.27Å; I969-V979 PolarHBondContact N-O 3.2Å; I969-L981 HydrophobicContact CG1-CB 4.38Å
970P82.1Confident85.7Confident79 Ų7969.1 Ų69.151%0.51339%0.392SS..EExtended strand (participates in β ladder)trans-53.5132.1-179-25.933.4000112F768 V972F768-P970 HydrophobicContact CD2-CG 4.09Å; F768-P970 HydrophobicContact CE2-CG 3.8Å; F768-P970 HydrophobicContact CZ-CG 4.08Å; P970-V972 PolarHBondContact O-N 3.08Å
971D77.9Confident85.9Confident158 Ų15868 Ų6885%0.84538%0.382SS*.EExtended strand (participates in β ladder)trans57.813.3176.4-59.4-37.1000117I969I969-D971 PolarHBondContact O-N 3.29Å
972V84.3Confident86Confident59 Ų5969.7 Ų69.736%0.35838%0.377SS..EExtended strand (participates in β ladder)trans-106.8116.7176.5-174.10000111I969 P970 V979I969-V972 HydrophobicContact CB-CB 4.19Å; I969-V972 HydrophobicContact CB-CG2 4.34Å; I969-V972 HydrophobicContact CG2-CB 4.05Å; I969-V972 HydrophobicContact CG2-CG2 3.64Å; I969-V972 PolarHBondContact O-N 3.01Å; P970-V972 PolarHBondContact O-N 3.08Å; V972-V979 HydrophobicContact CB-CB 4.36Å; V972-V979 HydrophobicContact CG1-CB 3.86Å; V972-V979 HydrophobicContact CG1-CG1 4.42Å; V972-V979 HydrophobicContact CG1-CG2 3.81Å; V972-V979 PolarHBondContact O-N 2.86Å
973R82.1Confident86.2Confident112 Ų11273.3 Ų73.342%0.42339%0.39SS..EExtended strand (participates in β ladder)trans-126.2147177.1-72.9-175.3154.6-177.5-7.2111.8E764 H977E764-R973 IonicContact OE1-NH2 3.97Å; E764-R973 PolarHBondContact OE1-NH2 2.79Å; R973-H977 CarbonylContact C-O 3.57Å; R973-H977 VanDerWaalsContact CA-O 3.26Å; R973-H977 WeakPolarHBondContact CA-O 3.38Å
974H82.3Confident86.3Confident130 Ų13066.1 Ų66.160%0.60236%0.359SS*.EExtended strand (participates in β ladder)trans-132.9121.2174-170.471.4000109.3G976 H977 V979H974-G976 PolarHBondContact O-N 3.43Å; H974-H977 PolarHBondContact N-O 3.44Å; H974-H977 PolarHBondContact O-N 3.29Å; H974-H977 VanDerWaalsContact O-N 3.12Å; H974-V979 HydrophobicContact CB-CG2 3.74Å
975G79.6Confident86.5Confident74 Ų7462 Ų6276%0.76334%0.338SS*.THydrogen-bonded Turntrans59.129.1-176.400000114.2H977G975-H977 VanDerWaalsContact C-N 3.3Å; G975-H977 PolarHBondContact O-N 2.93Å
976G78.6Confident86.4Confident53 Ų5364.8 Ų64.855%0.54636%0.357SS..THydrogen-bonded Turntrans85.9-11.4-177.400000115.4H974H974-G976 PolarHBondContact O-N 3.43Å
977H81.8Confident86.3Confident141 Ų14166.6 Ų66.665%0.65336%0.364SS*.EExtended strand (participates in β ladder)trans-96.4145.5177.5-62.7-66.5000112R973 H974 G975R973-H977 CarbonylContact C-O 3.57Å; R973-H977 VanDerWaalsContact CA-O 3.26Å; R973-H977 WeakPolarHBondContact CA-O 3.38Å; H974-H977 PolarHBondContact N-O 3.44Å; H974-H977 PolarHBondContact O-N 3.29Å; H974-H977 VanDerWaalsContact O-N 3.12Å; G975-H977 VanDerWaalsContact C-N 3.3Å; G975-H977 PolarHBondContact O-N 2.93Å
978P84.6Confident86.1Confident46 Ų4666.7 Ų66.730%0.29936%0.364SS..EExtended strand (participates in β ladder)trans-65.1134.8175.426.8-32.2000110.9E764 P968E764-P978 HydrophobicContact CG-CB 4.38Å; E764-P978 HydrophobicContact CG-CG 4.47Å; P968-P978 HydrophobicContact CB-CB 4.16Å
979V90.1Very high85.8Confident2 Ų268.8 Ų68.81%0.01238%0.379CS..EExtended strand (participates in β ladder)trans-80.3127.7173.7177.70000108.1I969 V972 H974I969-V979 HydrophobicContact CD1-CG1 4.27Å; I969-V979 PolarHBondContact N-O 3.2Å; V972-V979 HydrophobicContact CB-CB 4.36Å; V972-V979 HydrophobicContact CG1-CB 3.86Å; V972-V979 HydrophobicContact CG1-CG1 4.42Å; V972-V979 HydrophobicContact CG1-CG2 3.81Å; V972-V979 PolarHBondContact O-N 2.86Å; H974-V979 HydrophobicContact CB-CG2 3.74Å
980T92.2Very high85.6Confident40 Ų4068.4 Ų68.425%0.24538%0.378CS..EExtended strand (participates in β ladder)trans-95.7155.9-179.662.60000111.9T965 I967 R982 G1004 S1005T965-T980 VanDerWaalsContact O-CB 3.31Å; T965-T980 WeakPolarHBondContact O-CB 3.46Å; T965-T980 PolarHBondContact O-OG1 3.18Å; I967-T980 CarbonylContact O-C 3.59Å; I967-T980 VanDerWaalsContact O-CA 3.24Å; I967-T980 WeakPolarHBondContact O-CA 3.38Å; T980-R982 PolarHBondContact O-N 3.29Å; T980-G1004 CarbonylContact O-C 3.28Å; T980-G1004 WeakPolarHBondContact O-CA 3.23Å; T980-S1005 PolarHBondContact N-OG 3.41Å; T980-S1005 PolarHBondContact O-N 3.47Å
981L92.8Very high85.6Confident4 Ų468.4 Ų68.42%0.02137%0.374CS..EExtended strand (participates in β ladder)trans-71.1112.8178.3175.971.2000110.2F812 L962 T965 I967 I969 V984 F1002F812-L981 HydrophobicContact CD2-CD2 4.27Å; F812-L981 HydrophobicContact CE2-CD2 3.88Å; F812-L981 HydrophobicContact CZ-CD2 4.5Å; L962-L981 HydrophobicContact CD1-CD2 4.28Å; T965-L981 PolarHBondContact N-O 3.01Å; T965-L981 WeakPolarHBondContact OG1-CB 3.5Å; T965-L981 PolarHBondContact OG1-O 3.03Å; I967-L981 HydrophobicContact CB-CB 4.43Å; I967-L981 PolarHBondContact O-N 2.69Å; I969-L981 HydrophobicContact CG1-CB 4.38Å; L981-V984 HydrophobicContact CD2-CG2 4.35Å; L981-F1002 HydrophobicContact CD1-CB 3.73Å; L981-F1002 HydrophobicContact CD1-CD1 3.86Å; L981-F1002 HydrophobicContact CD1-CG 4.05Å
982R91.4Very high85.7Confident114 Ų11469.1 Ų69.143%0.4337%0.372SS..EExtended strand (participates in β ladder)trans-81.9-48.7177.7-164.3-176.5178.2158.9-3.1111.9K963 N964 T980 V1003K963-R982 CarbonylContact C-O 3.54Å; K963-R982 VanDerWaalsContact CA-O 3.32Å; K963-R982 WeakPolarHBondContact CA-O 3.39Å; N964-R982 PolarHBondContact N-O 2.85Å; N964-R982 VanDerWaalsContact OD1-CG 3.23Å; N964-R982 WeakPolarHBondContact OD1-CG 3.35Å; T980-R982 PolarHBondContact O-N 3.29Å; R982-V1003 WeakPolarHBondContact CA-O 3.27Å; R982-V1003 VanDerWaalsContact CB-O 3.22Å; R982-V1003 WeakPolarHBondContact CB-O 3.44Å; R982-V1003 PolarHBondContact N-O 3.27Å
983Y92Very high85.4Confident90 Ų9069.7 Ų69.735%0.35338%0.376SS..EExtended strand (participates in β ladder)trans-165.3163172.863.1-89.6000110.2V1003Y983-V1003 HydrophobicContact CD1-CB 4.04Å; Y983-V1003 HydrophobicContact CD1-CG1 4.35Å; Y983-V1003 HydrophobicContact CD2-CB 4.34Å; Y983-V1003 HydrophobicContact CD2-CG2 4.11Å; Y983-V1003 HydrophobicContact CE1-CB 3.71Å; Y983-V1003 HydrophobicContact CE1-CG1 3.68Å; Y983-V1003 HydrophobicContact CE1-CG2 4.02Å; Y983-V1003 HydrophobicContact CE2-CB 4.03Å; Y983-V1003 HydrophobicContact CE2-CG2 3.49Å; Y983-V1003 VanDerWaalsContact CE2-CG2 3.49Å; Y983-V1003 HydrophobicContact CG-CB 4.35Å; Y983-V1003 VanDerWaalsContact CZ-CG2 3.44Å; Y983-V1003 PolarHBondContact N-O 3.11Å; Y983-V1003 PolarHBondContact O-N 3.43Å
984V90.9Very high84.9Confident11 Ų1174.7 Ų74.77%0.06740%0.4CS..EExtended strand (participates in β ladder)trans-95.1133.6172.9-172.20000109I952 L981 S986 F1002I952-V984 HydrophobicContact CD1-CG1 4.31Å; I952-V984 HydrophobicContact CG1-CG1 4.13Å; L981-V984 HydrophobicContact CD2-CG2 4.35Å; V984-S986 PolarHBondContact O-N 3.33Å; V984-F1002 HydrophobicContact CB-CD1 4.38Å; V984-F1002 HydrophobicContact CG1-CD1 4.02Å; V984-F1002 HydrophobicContact CG1-CE1 3.94Å; V984-F1002 HydrophobicContact CG2-CD1 3.93Å; V984-F1002 HydrophobicContact CG2-CE1 3.98Å
985D89.6Confident84.5Confident33 Ų3374.2 Ų74.218%0.17641%0.407CS..  trans-61.7139176.9-167.11.3000110.5K987 C1001D985-K987 PolarHBondContact O-N 3.22Å; D985-C1001 HydrophobicContact CB-CB 3.92Å; D985-C1001 PolarHBondContact N-O 2.97Å
986S86Confident84.3Confident70 Ų7074.2 Ų74.249%0.4939%0.386SS..SBendtrans-61.3-28.7179.861.60000113.1K951 I952 V984K951-S986 VanDerWaalsContact CA-O 3.3Å; K951-S986 WeakPolarHBondContact CA-O 3.19Å; I952-S986 PolarHBondContact N-O 2.93Å; V984-S986 PolarHBondContact O-N 3.33Å
987K86.5Confident84.5Confident138 Ų13874.3 Ų74.360%0.638%0.377SS*.EExtended strand (participates in β ladder)trans-93.8125.5-177.9-70.8-176.3179.9-179.10110.8D985D985-K987 PolarHBondContact O-N 3.22Å
988T85.5Confident84.8Confident3 Ų369.4 Ų69.42%0.01835%0.354CS..EExtended strand (participates in β ladder)trans-120143.6172.367.60000109.2S949 L950 I952 I955 L1000S949-T988 CarbonylContact C-O 3.16Å; S949-T988 WeakPolarHBondContact CA-O 3.49Å; L950-T988 WeakPolarHBondContact CB-OG1 3.46Å; L950-T988 PolarHBondContact N-O 2.88Å; L950-T988 PolarHBondContact O-N 2.83Å; L950-T988 PolarHBondContact O-OG1 3.09Å; I952-T988 HydrophobicContact CB-CG2 3.98Å; I952-T988 HydrophobicContact CD1-CG2 3.82Å; I952-T988 HydrophobicContact CG1-CG2 4.47Å; I955-T988 HydrophobicContact CD1-CG2 4.47Å; T988-L1000 HydrophobicContact CG2-CD2 3.47Å; T988-L1000 VanDerWaalsContact CG2-CD2 3.47Å
989S84.5Confident84.9Confident53 Ų5375.3 Ų75.337%0.37137%0.37SS..EExtended strand (participates in β ladder)trans-122.6143.2177.860.50000110.8R999S989-R999 PolarHBondContact N-O 2.94Å; S989-R999 PolarHBondContact O-N 3.47Å
990V83.7Confident84.9Confident27 Ų2777.1 Ų77.116%0.16438%0.38CS..EExtended strand (participates in β ladder)trans-96.5125.6173.8-1740000107.8L950 K996 K998L950-V990 HydrophobicContact CD1-CG2 3.64Å; V990-K996 HydrophobicContact CG1-CB 4.06Å; V990-K998 HydrophobicContact CG2-CG 4.42Å
991L81.4Confident84.8Confident79 Ų7976.6 Ų76.641%0.41438%0.377SS..  trans-76.5133.6176.9-64.8174.4000109.7T993 P997L991-T993 HydrophobicContact CB-CG2 4.5Å; L991-T993 PolarHBondContact O-N 3.19Å; L991-P997 HydrophobicContact CB-CG 4.1Å; L991-P997 HydrophobicContact CD1-CG 4.09Å; L991-P997 PolarHBondContact N-O 3.28Å
992Q79.7Confident84.8Confident173 Ų17379.2 Ų79.281%0.80839%0.388SS*.SBendtrans-75.869.6-179.5-65.8-170.4-13.400111.6
993T78.9Confident84.8Confident71 Ų7174 Ų7444%0.43637%0.369SS..SBendtrans-126.6168.6173.773.70000110.8L991 T995 K996 P997L991-T993 HydrophobicContact CB-CG2 4.5Å; L991-T993 PolarHBondContact O-N 3.19Å; T993-T995 PolarHBondContact O-N 2.99Å; T993-T995 PolarHBondContact OG1-OG1 3.3Å; T993-K996 WeakPolarHBondContact O-CG 3.33Å; T993-K996 PolarHBondContact O-N 2.98Å; T993-K996 PolarHBondContact OG1-N 3.43Å; T993-P997 WeakPolarHBondContact OG1-CD 3.46Å
994K70.3Confident84.8Confident216 Ų21669.8 Ų69.894%0.93935%0.353SS*.THydrogen-bonded Turntrans-57.5-35.4179.4-72.2-175.2179.1178.50113.3
995T73.6Confident84.8Confident120 Ų12072.2 Ų72.274%0.73637%0.371SS*.THydrogen-bonded Turntrans-87.5-7.418050.90000113.3T993T993-T995 PolarHBondContact O-N 2.99Å; T993-T995 PolarHBondContact OG1-OG1 3.3Å
996K76.6Confident84.8Confident74 Ų7473.2 Ų73.232%0.32238%0.376SS..  trans45.152.9177.2-57.4-173.7-178.6-170.30114.8E946 V990 T993E946-K996 IonicContact OE1-NZ 2.7Å; E946-K996 PolarHBondContact OE1-NZ 2.97Å; V990-K996 HydrophobicContact CG1-CB 4.06Å; T993-K996 WeakPolarHBondContact O-CG 3.33Å; T993-K996 PolarHBondContact O-N 2.98Å; T993-K996 PolarHBondContact OG1-N 3.43Å
997P83.1Confident84.9Confident56 Ų5672 Ų7236%0.36437%0.374SS..PPolyproline II helixtrans-68.5142.4-179.428.5-31.1000111.1L991 T993L991-P997 HydrophobicContact CB-CG 4.1Å; L991-P997 HydrophobicContact CD1-CG 4.09Å; L991-P997 PolarHBondContact N-O 3.28Å; T993-P997 WeakPolarHBondContact OG1-CD 3.46Å
998K87Confident85.1Confident37 Ų3771.1 Ų71.116%0.16138%0.376CS..EExtended strand (participates in β ladder)trans-89.5126.6178.7-60.6177.4-176.966.90109.6I819 M820 E825 V990I819-K998 WeakPolarHBondContact O-CD 3.41Å; I819-K998 WeakPolarHBondContact O-CE 3.46Å; I819-K998 PolarHBondContact O-NZ 3.4Å; M820-K998 PolarHBondContact O-NZ 3Å; E825-K998 IonicContact OE1-NZ 2.73Å; E825-K998 PolarHBondContact OE1-NZ 2.92Å; E825-K998 IonicContact OE2-NZ 2.69Å; E825-K998 PolarHBondContact OE2-NZ 2.89Å; V990-K998 HydrophobicContact CG2-CG 4.42Å
999R87.3Confident85.2Confident170 Ų17081.2 Ų81.264%0.64241%0.413SS*.EExtended strand (participates in β ladder)trans-92.6116.2174.4-174.4179.7-179.8-179.90.5109.5S989S989-R999 PolarHBondContact N-O 2.94Å; S989-R999 PolarHBondContact O-N 3.47Å
1000L89.5Confident85.2Confident41 Ų4182.6 Ų82.622%0.21542%0.415CS..PPolyproline II helixtrans-103.4151.1173.6-59.5166.4000109.1L816 I819 I952 T988 F1002L816-L1000 HydrophobicContact CD2-CD1 3.7Å; I819-L1000 HydrophobicContact CD1-CD1 3.87Å; I819-L1000 HydrophobicContact CD1-CD2 4.3Å; I952-L1000 HydrophobicContact CD1-CD2 3.72Å; T988-L1000 HydrophobicContact CG2-CD2 3.47Å; T988-L1000 VanDerWaalsContact CG2-CD2 3.47Å; L1000-F1002 HydrophobicContact CB-CE1 4.23Å; L1000-F1002 HydrophobicContact CB-CZ 4.01Å; L1000-F1002 HydrophobicContact CD1-CZ 4.05Å
1001C90.6Very high85.3Confident29 Ų2985.5 Ų85.520%0.19643%0.429CS..  trans-120.8127.9172178.20000108.8D985 R1009D985-C1001 HydrophobicContact CB-CB 3.92Å; D985-C1001 PolarHBondContact N-O 2.97Å; C1001-R1009 PolarHBondContact SG-OXT 3.4Å
1002F91.9Very high85.5Confident58 Ų5885.9 Ų85.925%0.25443%0.43SS..EExtended strand (participates in β ladder)trans-112.4131.2-177.8-61.6-50.5000109F812 L816 L981 V984 L1000 R1009F812-F1002 HydrophobicContact CE2-CE1 4.24Å; F812-F1002 HydrophobicContact CE2-CZ 4.45Å; F812-F1002 HydrophobicContact CZ-CE1 4.24Å; F812-F1002 HydrophobicContact CZ-CZ 4.05Å; L816-F1002 HydrophobicContact CD2-CZ 4.46Å; L981-F1002 HydrophobicContact CD1-CB 3.73Å; L981-F1002 HydrophobicContact CD1-CD1 3.86Å; L981-F1002 HydrophobicContact CD1-CG 4.05Å; V984-F1002 HydrophobicContact CB-CD1 4.38Å; V984-F1002 HydrophobicContact CG1-CD1 4.02Å; V984-F1002 HydrophobicContact CG1-CE1 3.94Å; V984-F1002 HydrophobicContact CG2-CD1 3.93Å; V984-F1002 HydrophobicContact CG2-CE1 3.98Å; L1000-F1002 HydrophobicContact CB-CE1 4.23Å; L1000-F1002 HydrophobicContact CB-CZ 4.01Å; L1000-F1002 HydrophobicContact CD1-CZ 4.05Å; F1002-R1009 CarbonylContact O-C 3.54Å
1003V91.7Very high85.9Confident5 Ų580.8 Ų80.83%0.0341%0.407CS..EExtended strand (participates in β ladder)trans-99.7123.9177.7-174.40000109.2R982 Y983 L1008 R1009R982-V1003 WeakPolarHBondContact CA-O 3.27Å; R982-V1003 VanDerWaalsContact CB-O 3.22Å; R982-V1003 WeakPolarHBondContact CB-O 3.44Å; R982-V1003 PolarHBondContact N-O 3.27Å; Y983-V1003 HydrophobicContact CD1-CB 4.04Å; Y983-V1003 HydrophobicContact CD1-CG1 4.35Å; Y983-V1003 HydrophobicContact CD2-CB 4.34Å; Y983-V1003 HydrophobicContact CD2-CG2 4.11Å; Y983-V1003 HydrophobicContact CE1-CB 3.71Å; Y983-V1003 HydrophobicContact CE1-CG1 3.68Å; Y983-V1003 HydrophobicContact CE1-CG2 4.02Å; Y983-V1003 HydrophobicContact CE2-CB 4.03Å; Y983-V1003 HydrophobicContact CE2-CG2 3.49Å; Y983-V1003 VanDerWaalsContact CE2-CG2 3.49Å; Y983-V1003 HydrophobicContact CG-CB 4.35Å; Y983-V1003 VanDerWaalsContact CZ-CG2 3.44Å; Y983-V1003 PolarHBondContact N-O 3.11Å; Y983-V1003 PolarHBondContact O-N 3.43Å; V1003-L1008 WeakPolarHBondContact CA-O 3.4Å; V1003-R1009 HydrophobicContact CG2-CG 4.14Å
1004G92.5Very high86.3Confident2 Ų281.4 Ų81.42%0.02141%0.405CS..EExtended strand (participates in β ladder)trans-77.9164.2178.300000113.2T980 N1006 G1007 L1008T980-G1004 CarbonylContact O-C 3.28Å; T980-G1004 WeakPolarHBondContact O-CA 3.23Å; G1004-N1006 PolarHBondContact O-N 3.15Å; G1004-G1007 PolarHBondContact O-N 2.91Å; G1004-L1008 PolarHBondContact N-O 3.21Å
1005S91.5Very high87.4Confident61 Ų6172.4 Ų72.443%0.42737%0.37SS..THydrogen-bonded Turntrans-59.8-25.9172.858.30000113.2T980 G1007T980-S1005 PolarHBondContact N-OG 3.41Å; T980-S1005 PolarHBondContact O-N 3.47Å; S1005-G1007 PolarHBondContact O-N 3.23Å
1006N89.5Confident88.3Confident55 Ų5569 Ų6929%0.29434%0.344SS..THydrogen-bonded Turntrans-76.6-3.1172.665.2-4.7000114.2G1004 L1008G1004-N1006 PolarHBondContact O-N 3.15Å; N1006-L1008 VanDerWaalsContact C-N 3.3Å; N1006-L1008 PolarHBondContact O-N 3Å; N1006-L1008 PolarHBondContact OD1-N 2.95Å; N1006-L1008 VanDerWaalsContact OD1-N 3.1Å
1007G88Confident89.2Confident44 Ų4468.6 Ų68.645%0.45435%0.345SS..SBendtrans80.91.9179.900000115.2G1004 S1005G1004-G1007 PolarHBondContact O-N 2.91Å; S1005-G1007 PolarHBondContact O-N 3.23Å
1008L89.4Confident89.8Confident119 Ų11969.7 Ų69.762%0.62334%0.344SS*.  trans-79.8151.2172.3-62.2178.7000110.8V1003 G1004 N1006V1003-L1008 WeakPolarHBondContact CA-O 3.4Å; G1004-L1008 PolarHBondContact N-O 3.21Å; N1006-L1008 VanDerWaalsContact C-N 3.3Å; N1006-L1008 PolarHBondContact O-N 3Å; N1006-L1008 PolarHBondContact OD1-N 2.95Å; N1006-L1008 VanDerWaalsContact OD1-N 3.1Å
1009R88.2Confident90Very high215 Ų21572.6 Ų72.681%0.81136%0.361SS*.  trans-101.70-177.4-75.6-172.6-179.4-158.7-0.5112.9C1001 F1002 V1003C1001-R1009 PolarHBondContact SG-OXT 3.4Å; F1002-R1009 CarbonylContact O-C 3.54Å; V1003-R1009 HydrophobicContact CG2-CG 4.14Å

Retrieved 1,009 of 1,009 residues in 2387.8 ms (Link to these results)

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