A0A087WST1_MOUSE Loading...

Interleukin 19

AlphaFold DB , UniProt , Accession A0A087WST1, Species MOUSE (Mus musculus, Mouse), Gene Il19, Length 101 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
1M84.4Confident92.8Very high62 Ų6235.1 Ų35.131%0.30517%0.172SC..  0-54.60-167.9166.6173.200112N3 N4 L5 C53 A57 A60 W90M1-N3 VanDerWaalsContact C-N 3.34Å; M1-N3 PolarHBondContact O-N 3.4Å; M1-N4 WeakPolarHBondContact O-CA 3.32Å; M1-N4 WeakPolarHBondContact O-CB 3.43Å; M1-N4 PolarHBondContact O-N 2.61Å; M1-L5 HydrophobicContact CE-CD1 4.34Å; M1-L5 HydrophobicContact CG-CD1 4.32Å; M1-L5 HydrophobicContact CG-CG 4.46Å; M1-L5 PolarHBondContact O-N 2.83Å; M1-L5 VanDerWaalsContact O-N 3.15Å; M1-C53 PolarHBondContact N-SG 2.82Å; M1-A57 HydrophobicContact CB-CB 4.11Å; M1-A57 HydrophobicContact SD-CB 4.4Å; M1-A60 HydrophobicContact CE-CB 3.92Å; M1-W90 HydrophobicContact CB-CH2 3.98Å; M1-W90 HydrophobicContact CB-CZ2 4.4Å; M1-W90 HydrophobicContact CE-CZ2 4.36Å; M1-W90 HydrophobicContact CG-CH2 3.98Å; M1-W90 HydrophobicContact CG-CZ2 4.17Å; M1-W90 HydrophobicContact SD-CH2 4.22Å; M1-W90 HydrophobicContact SD-CZ2 3.79Å
2T90.3Very high93.1Very high11 Ų1139 Ų397%0.06718%0.183CC..Hα-helixtrans-48.8-49.1-178.9-47.60000114N4 L5 L6 L42 W90 I91 H95T2-N4 VanDerWaalsContact C-N 3.27Å; T2-N4 PolarHBondContact O-N 3.37Å; T2-L5 PolarHBondContact O-N 3.41Å; T2-L5 VanDerWaalsContact O-N 3.14Å; T2-L6 HydrophobicContact CG2-CD1 4.08Å; T2-L6 HydrophobicContact CG2-CG 4.38Å; T2-L6 WeakPolarHBondContact O-CG 3.35Å; T2-L6 PolarHBondContact O-N 3.26Å; T2-L42 HydrophobicContact CG2-CD1 4.02Å; T2-W90 HydrophobicContact CG2-CZ3 4.42Å; T2-W90 WeakPolarHBondContact OG1-CZ3 3.42Å; T2-I91 HydrophobicContact CG2-CD1 4.14Å; T2-I91 HydrophobicContact CG2-CG1 4.1Å; T2-H95 PolarHBondContact OG1-CE1 3.25Å; T2-H95 PolarHBondContact OG1-NE2 3.48Å
3N90Very high93.4Very high28 Ų2836 Ų3615%0.1517%0.169CC..Hα-helixtrans-59-38.7178.4-171.968.6000112.6M1 L5 L6 T7 L42 Q46M1-N3 VanDerWaalsContact C-N 3.34Å; M1-N3 PolarHBondContact O-N 3.4Å; N3-L5 VanDerWaalsContact C-N 3.34Å; N3-L5 PolarHBondContact O-N 2.79Å; N3-L6 PolarHBondContact O-N 3.3Å; N3-T7 WeakPolarHBondContact O-CB 3.37Å; N3-T7 PolarHBondContact O-N 3.23Å; N3-T7 PolarHBondContact O-OG1 3.43Å; N3-L42 HydrophobicContact CB-CD1 4.11Å; N3-Q46 VanDerWaalsContact CG-NE2 3.34Å; N3-Q46 PolarHBondContact ND2-NE2 3.48Å
4N91.8Very high93.6Very high47 Ų4735.6 Ų35.625%0.25117%0.167SC..Hα-helixtrans-66.3-38.9179-58.9-11.4000111.4M1 T2 T7 F8 T61M1-N4 WeakPolarHBondContact O-CA 3.32Å; M1-N4 WeakPolarHBondContact O-CB 3.43Å; M1-N4 PolarHBondContact O-N 2.61Å; T2-N4 VanDerWaalsContact C-N 3.27Å; T2-N4 PolarHBondContact O-N 3.37Å; N4-T7 PolarHBondContact O-N 3.22Å; N4-F8 WeakPolarHBondContact O-CB 3.29Å; N4-F8 PolarHBondContact O-N 2.96Å; N4-T61 HydrophobicContact CB-CG2 3.61Å
5L94.1Very high93.6Very high12 Ų1242.9 Ų42.96%0.06320%0.201CC..Hα-helixtrans-66.6-44.4175.7-61.9178.6000111.2M1 T2 N3 T7 F8 Y9 I64 L87 W90M1-L5 HydrophobicContact CE-CD1 4.34Å; M1-L5 HydrophobicContact CG-CD1 4.32Å; M1-L5 HydrophobicContact CG-CG 4.46Å; M1-L5 PolarHBondContact O-N 2.83Å; M1-L5 VanDerWaalsContact O-N 3.15Å; T2-L5 PolarHBondContact O-N 3.41Å; T2-L5 VanDerWaalsContact O-N 3.14Å; N3-L5 VanDerWaalsContact C-N 3.34Å; N3-L5 PolarHBondContact O-N 2.79Å; L5-T7 VanDerWaalsContact C-N 3.31Å; L5-T7 PolarHBondContact O-N 2.84Å; L5-F8 WeakPolarHBondContact O-CB 3.38Å; L5-F8 PolarHBondContact O-N 3.15Å; L5-Y9 WeakPolarHBondContact O-CD2 3.27Å; L5-Y9 PolarHBondContact O-N 3.19Å; L5-I64 HydrophobicContact CD2-CD1 3.39Å; L5-L87 HydrophobicContact CB-CD1 3.93Å; L5-L87 HydrophobicContact CD1-CD1 3.72Å; L5-L87 HydrophobicContact CG-CD1 4.44Å; L5-W90 HydrophobicContact CD1-CE3 4.02Å; L5-W90 HydrophobicContact CD1-CH2 4.42Å; L5-W90 HydrophobicContact CD1-CZ3 3.93Å
6L94.1Very high93.7Very high1 Ų142.1 Ų42.11%0.00520%0.198CC..Hα-helixtrans-61.3-41.1176-63.7173.6000111.5T2 N3 Y9 R10 F35 V38 Q39 L42 I91T2-L6 HydrophobicContact CG2-CD1 4.08Å; T2-L6 HydrophobicContact CG2-CG 4.38Å; T2-L6 WeakPolarHBondContact O-CG 3.35Å; T2-L6 PolarHBondContact O-N 3.26Å; N3-L6 PolarHBondContact O-N 3.3Å; L6-Y9 PolarHBondContact O-N 3.36Å; L6-R10 WeakPolarHBondContact O-CB 3.5Å; L6-R10 PolarHBondContact O-N 3.25Å; L6-F35 HydrophobicContact CD2-CB 4.15Å; L6-F35 HydrophobicContact CD2-CD1 4.29Å; L6-F35 HydrophobicContact CD2-CD2 3.46Å; L6-F35 VanDerWaalsContact CD2-CD2 3.46Å; L6-F35 HydrophobicContact CD2-CE2 3.82Å; L6-F35 HydrophobicContact CD2-CG 3.71Å; L6-F35 HydrophobicContact CD2-CZ 4.36Å; L6-V38 HydrophobicContact CD1-CB 4.02Å; L6-V38 HydrophobicContact CD1-CG1 3.62Å; L6-Q39 HydrophobicContact CB-CG 3.51Å; L6-Q39 HydrophobicContact CD1-CG 3.63Å; L6-Q39 HydrophobicContact CG-CG 4.2Å; L6-L42 HydrophobicContact CD1-CD1 3.96Å; L6-I91 HydrophobicContact CD2-CD1 4.22Å
7T93.8Very high93.6Very high37 Ų3741.2 Ų41.223%0.22719%0.194CC..Hα-helixtrans-62.8-43.8173.9-63.60000111.4N3 N4 L5 Y9 R10 D11 Q39N3-T7 WeakPolarHBondContact O-CB 3.37Å; N3-T7 PolarHBondContact O-N 3.23Å; N3-T7 PolarHBondContact O-OG1 3.43Å; N4-T7 PolarHBondContact O-N 3.22Å; L5-T7 VanDerWaalsContact C-N 3.31Å; L5-T7 PolarHBondContact O-N 2.84Å; T7-Y9 PolarHBondContact O-N 3.19Å; T7-R10 PolarHBondContact O-N 2.95Å; T7-D11 WeakPolarHBondContact CG2-OD2 3.49Å; T7-D11 WeakPolarHBondContact O-CB 3.29Å; T7-D11 PolarHBondContact O-N 3.18Å; T7-Q39 VanDerWaalsContact N-NE2 3.19Å; T7-Q39 PolarHBondContact OG1-NE2 3.39Å
8F96.3Very high93.4Very high7 Ų748.1 Ų48.13%0.03123%0.226CC..Hα-helixtrans-58.3-46.1175.6164.1-102.1000111.9N4 L5 R10 R12 V13 I64 H65 Y68N4-F8 WeakPolarHBondContact O-CB 3.29Å; N4-F8 PolarHBondContact O-N 2.96Å; L5-F8 WeakPolarHBondContact O-CB 3.38Å; L5-F8 PolarHBondContact O-N 3.15Å; F8-R10 VanDerWaalsContact C-N 3.34Å; F8-R10 PolarHBondContact O-N 2.95Å; F8-R12 HydrophobicContact CD2-CB 4.13Å; F8-R12 HydrophobicContact CD2-CG 3.97Å; F8-R12 HydrophobicContact CE2-CB 4.11Å; F8-R12 HydrophobicContact CE2-CG 4.25Å; F8-R12 VanDerWaalsContact O-CB 3.25Å; F8-R12 WeakPolarHBondContact O-CB 3.46Å; F8-R12 PolarHBondContact O-N 3.22Å; F8-V13 HydrophobicContact CD1-CG2 4.15Å; F8-V13 HydrophobicContact CE1-CG2 3.57Å; F8-V13 HydrophobicContact CZ-CG2 3.82Å; F8-V13 PolarHBondContact O-N 3.28Å; F8-I64 HydrophobicContact CD1-CG2 4.18Å; F8-I64 HydrophobicContact CE1-CG2 3.87Å; F8-I64 HydrophobicContact CE2-CG2 4.39Å; F8-I64 HydrophobicContact CZ-CG2 3.97Å; F8-H65 AromaticContact CD2-CE1 3.55Å; F8-H65 AromaticContact CD2-ND1 3.81Å; F8-H65 AromaticContact CD2-NE2 3.82Å; F8-Y68 HydrophobicContact CE2-CD1 4.49Å; F8-Y68 AromaticContact CE2-CD2 3.9Å; F8-Y68 HydrophobicContact CE2-CD2 3.9Å; F8-Y68 HydrophobicContact CE2-CE2 4.48Å; F8-Y68 AromaticContact CE2-CG 3.88Å; F8-Y68 HydrophobicContact CE2-CG 3.88Å; F8-Y68 AromaticContact CZ-CD2 3.51Å; F8-Y68 HydrophobicContact CZ-CD2 3.51Å; F8-Y68 HydrophobicContact CZ-CE2 4.12Å; F8-Y68 AromaticContact CZ-CG 3.93Å; F8-Y68 HydrophobicContact CZ-CG 3.93Å
9Y97.3Very high93.3Very high14 Ų1448.8 Ų48.86%0.05523%0.23CC..Iπ-helixtrans-64.4-39.8177.3-88.2-99000112.3L5 L6 T7 V13 F14 F35 S80 L84 L87L5-Y9 WeakPolarHBondContact O-CD2 3.27Å; L5-Y9 PolarHBondContact O-N 3.19Å; L6-Y9 PolarHBondContact O-N 3.36Å; T7-Y9 PolarHBondContact O-N 3.19Å; Y9-V13 HydrophobicContact CD1-CB 3.91Å; Y9-V13 HydrophobicContact CD1-CG1 3.9Å; Y9-V13 HydrophobicContact CD1-CG2 3.96Å; Y9-V13 HydrophobicContact CE1-CG1 4.18Å; Y9-V13 HydrophobicContact CE1-CG2 4.3Å; Y9-V13 HydrophobicContact CG-CB 4.32Å; Y9-V13 HydrophobicContact CG-CG2 4.13Å; Y9-V13 WeakPolarHBondContact O-CB 3.45Å; Y9-V13 PolarHBondContact O-N 2.91Å; Y9-F14 HydrophobicContact CD1-CE1 4.25Å; Y9-F14 HydrophobicContact CD1-CZ 4.17Å; Y9-F14 VanDerWaalsContact O-CD2 3.27Å; Y9-F14 WeakPolarHBondContact O-CD2 3.43Å; Y9-F14 WeakPolarHBondContact O-CG 3.34Å; Y9-F14 PolarHBondContact O-N 3.12Å; Y9-F35 HydrophobicContact CD1-CE2 4.12Å; Y9-F35 HydrophobicContact CD2-CE2 4.36Å; Y9-F35 AromaticContact CG-CE2 3.81Å; Y9-F35 HydrophobicContact CG-CE2 3.81Å; Y9-S80 WeakPolarHBondContact CE1-O 3.39Å; Y9-S80 PolarHBondContact OH-O 3.44Å; Y9-S80 VanDerWaalsContact OH-O 3.1Å; Y9-L84 HydrophobicContact CD1-CD2 3.77Å; Y9-L84 HydrophobicContact CE1-CD2 3.44Å; Y9-L84 VanDerWaalsContact CE1-CD2 3.44Å; Y9-L84 HydrophobicContact CE1-CG 3.9Å; Y9-L87 HydrophobicContact CD2-CD2 3.65Å; Y9-L87 HydrophobicContact CE1-CD2 4.46Å; Y9-L87 HydrophobicContact CE2-CB 4.41Å; Y9-L87 HydrophobicContact CE2-CD2 3.47Å; Y9-L87 VanDerWaalsContact CE2-CD2 3.47Å; Y9-L87 HydrophobicContact CE2-CG 4.4Å; Y9-L87 HydrophobicContact CG-CD2 4.23Å
10R94.4Very high93.2Very high99 Ų9958.7 Ų58.737%0.37426%0.264SS..Iπ-helixtrans-67-50.7179-172.7-171.668.2-156.40.4113L6 T7 F8L6-R10 WeakPolarHBondContact O-CB 3.5Å; L6-R10 PolarHBondContact O-N 3.25Å; T7-R10 PolarHBondContact O-N 2.95Å; F8-R10 VanDerWaalsContact C-N 3.34Å; F8-R10 PolarHBondContact O-N 2.95Å
11D95.1Very high93.3Very high68 Ų6858.1 Ų58.136%0.36427%0.267SS..Iπ-helixtrans-91-11.1-167.9-60.6-11.6000112.8T7 Q15T7-D11 WeakPolarHBondContact CG2-OD2 3.49Å; T7-D11 WeakPolarHBondContact O-CB 3.29Å; T7-D11 PolarHBondContact O-N 3.18Å; D11-Q15 PolarHBondContact O-OE1 3.06Å
12R95.9Very high93.8Very high82 Ų8260.6 Ų60.631%0.30928%0.281SS..Iπ-helixtrans-122.8-70.5177.7-52.8-71.7-80.5171.4-5.7110.1F8 F14 Q15 D16 Y68 N69F8-R12 HydrophobicContact CD2-CB 4.13Å; F8-R12 HydrophobicContact CD2-CG 3.97Å; F8-R12 HydrophobicContact CE2-CB 4.11Å; F8-R12 HydrophobicContact CE2-CG 4.25Å; F8-R12 VanDerWaalsContact O-CB 3.25Å; F8-R12 WeakPolarHBondContact O-CB 3.46Å; F8-R12 PolarHBondContact O-N 3.22Å; R12-F14 PolarHBondContact O-N 3.14Å; R12-Q15 PolarHBondContact O-N 3.47Å; R12-D16 WeakPolarHBondContact O-CB 3.49Å; R12-D16 PolarHBondContact O-N 3.05Å; R12-Y68 HydrophobicContact CB-CE1 4.26Å; R12-N69 PolarHBondContact NH2-OD1 3.47Å
13V97.1Very high94.1Very high0 Ų065.3 Ų65.30%030%0.303CS..Iπ-helixtrans-60.4-51.8-167-178.60000113F8 Y9 Q15 H17 Y68 S80 L81F8-V13 HydrophobicContact CD1-CG2 4.15Å; F8-V13 HydrophobicContact CE1-CG2 3.57Å; F8-V13 HydrophobicContact CZ-CG2 3.82Å; F8-V13 PolarHBondContact O-N 3.28Å; Y9-V13 HydrophobicContact CD1-CB 3.91Å; Y9-V13 HydrophobicContact CD1-CG1 3.9Å; Y9-V13 HydrophobicContact CD1-CG2 3.96Å; Y9-V13 HydrophobicContact CE1-CG1 4.18Å; Y9-V13 HydrophobicContact CE1-CG2 4.3Å; Y9-V13 HydrophobicContact CG-CB 4.32Å; Y9-V13 HydrophobicContact CG-CG2 4.13Å; Y9-V13 WeakPolarHBondContact O-CB 3.45Å; Y9-V13 PolarHBondContact O-N 2.91Å; V13-Q15 VanDerWaalsContact C-N 3.33Å; V13-H17 VanDerWaalsContact O-CB 3.28Å; V13-H17 WeakPolarHBondContact O-CB 3.49Å; V13-H17 PolarHBondContact O-N 3.43Å; V13-Y68 HydrophobicContact CG2-CE2 4.11Å; V13-S80 VanDerWaalsContact CG2-CB 3.47Å; V13-L81 HydrophobicContact CG1-CD2 3.93Å; V13-L81 HydrophobicContact CG1-CG 3.68Å
14F95.5Very high94.3Very high30 Ų3066.6 Ų66.613%0.13231%0.311CS..Hα-helixtrans-72-28.9-179-59.1-36.2000112.7Y9 R12 I28 I31 A32 F35 L81Y9-F14 HydrophobicContact CD1-CE1 4.25Å; Y9-F14 HydrophobicContact CD1-CZ 4.17Å; Y9-F14 VanDerWaalsContact O-CD2 3.27Å; Y9-F14 WeakPolarHBondContact O-CD2 3.43Å; Y9-F14 WeakPolarHBondContact O-CG 3.34Å; Y9-F14 PolarHBondContact O-N 3.12Å; R12-F14 PolarHBondContact O-N 3.14Å; F14-I28 HydrophobicContact CD1-CG2 3.96Å; F14-I28 HydrophobicContact CE1-CG2 4.5Å; F14-I31 HydrophobicContact CE1-CG2 4.47Å; F14-I31 HydrophobicContact CZ-CG2 4.03Å; F14-A32 HydrophobicContact CD2-CB 3.59Å; F14-A32 HydrophobicContact CE2-CB 3.75Å; F14-A32 HydrophobicContact CG-CB 4.21Å; F14-A32 HydrophobicContact CZ-CB 4.44Å; F14-F35 AromaticContact CE2-CD2 3.89Å; F14-F35 HydrophobicContact CE2-CD2 3.89Å; F14-F35 HydrophobicContact CE2-CE2 4.38Å; F14-F35 HydrophobicContact CE2-CG 4.29Å; F14-F35 HydrophobicContact CZ-CD2 4.01Å; F14-F35 HydrophobicContact CZ-CE2 4.07Å; F14-F35 HydrophobicContact CZ-CG 4.45Å; F14-L81 HydrophobicContact CD1-CD2 3.85Å; F14-L81 HydrophobicContact CE1-CD2 3.68Å
15Q93.5Very high94.4Very high146 Ų14667.3 Ų67.368%0.68232%0.315SS*.Hα-helixtrans-78-40.6179.8-177.5174.3-21.400112.2D11 R12 V13D11-Q15 PolarHBondContact O-OE1 3.06Å; R12-Q15 PolarHBondContact O-N 3.47Å; V13-Q15 VanDerWaalsContact C-N 3.33Å
16D95.4Very high94.5Very high29 Ų2974.6 Ų74.616%0.15534%0.341CS..Hα-helixtrans-80.9-18.2-176.5-68.7-17.8000112.3R12 Q18 Y68 V73 A77R12-D16 WeakPolarHBondContact O-CB 3.49Å; R12-D16 PolarHBondContact O-N 3.05Å; D16-Q18 PolarHBondContact O-N 2.89Å; D16-Y68 VanDerWaalsContact CB-OH 3.25Å; D16-Y68 WeakPolarHBondContact CB-OH 3.48Å; D16-Y68 WeakPolarHBondContact OD2-CE1 3.41Å; D16-Y68 PolarHBondContact OD2-OH 3.16Å; D16-V73 HydrophobicContact CB-CG1 3.54Å; D16-V73 VanDerWaalsContact CG-CG1 3.46Å; D16-A77 HydrophobicContact CB-CB 3.85Å
17H92.3Very high94.6Very high28 Ų2881.9 Ų81.913%0.1337%0.369CS..  trans-75.1120.9-179.8-176.664.1000112.4V13 I28 A77 L81V13-H17 VanDerWaalsContact O-CB 3.28Å; V13-H17 WeakPolarHBondContact O-CB 3.49Å; V13-H17 PolarHBondContact O-N 3.43Å; H17-I28 WeakPolarHBondContact CD2-CD1 3.47Å; H17-I28 WeakPolarHBondContact NE2-CD1 3.32Å; H17-A77 HydrophobicContact CB-CB 4.01Å; H17-L81 HydrophobicContact CB-CD1 3.79Å; H17-L81 VanDerWaalsContact CD2-CD1 3.41Å; H17-L81 WeakPolarHBondContact CD2-CD1 3.48Å; H17-L81 WeakPolarHBondContact ND1-CD1 3.37Å
18Q89.6Confident94.6Very high165 Ų16581.1 Ų81.177%0.77136%0.363SS*.  trans-99.3114.2171.8-62.7-17615.300110.4D16D16-Q18 PolarHBondContact O-N 2.89Å
19E91.6Very high94.6Very high62 Ų6283.8 Ų83.829%0.2938%0.383SS..  trans-118.8135.6174.9177.255.8-99.200110.2S21 V24 L25E19-S21 WeakPolarHBondContact CG-O 3.41Å; E19-S21 WeakPolarHBondContact OE1-CB 3.44Å; E19-S21 PolarHBondContact OE1-N 3.1Å; E19-V24 HydrophobicContact CG-CB 3.68Å; E19-V24 HydrophobicContact CG-CG1 3.77Å; E19-V24 WeakPolarHBondContact OE2-CG1 3.37Å; E19-L25 HydrophobicContact CB-CD2 3.76Å; E19-L25 HydrophobicContact CB-CG 3.82Å; E19-L25 HydrophobicContact CG-CD2 4.34Å; E19-L25 HydrophobicContact CG-CG 3.88Å; E19-L25 WeakPolarHBondContact O-CD1 3.41Å
20R91.8Very high94.6Very high246 Ų24686.7 Ų86.793%0.92841%0.405SS*.  trans-93.4-25.9179.6-62.1-177.4-177.1-179.71.1111.7L22R20-L22 PolarHBondContact O-N 3.41Å
21S95.6Very high94.6Very high46 Ų4684.9 Ų84.932%0.32240%0.402SS..  trans-77.4115.3177.31780000111.4E19 E23 V24 L25E19-S21 WeakPolarHBondContact CG-O 3.41Å; E19-S21 WeakPolarHBondContact OE1-CB 3.44Å; E19-S21 PolarHBondContact OE1-N 3.1Å; S21-E23 PolarHBondContact O-N 3.49Å; S21-E23 PolarHBondContact OG-N 3.28Å; S21-V24 PolarHBondContact O-N 2.73Å; S21-V24 PolarHBondContact OG-N 2.92Å; S21-L25 PolarHBondContact O-N 3.37Å
22L94.7Very high94.7Very high115 Ų11583 Ų8360%0.60240%0.396SS*.Hα-helixtrans-60.5-28.9173.2-66.4176.8000112.7R20 L25 R26R20-L22 PolarHBondContact O-N 3.41Å; L22-L25 HydrophobicContact CD2-CD1 4.31Å; L22-R26 VanDerWaalsContact O-CG 3.27Å; L22-R26 WeakPolarHBondContact O-CG 3.42Å; L22-R26 PolarHBondContact O-N 3.46Å; L22-R26 PolarHBondContact O-NH1 3.05Å
23E96.3Very high94.7Very high110 Ų11084.2 Ų84.251%0.51441%0.408SS..Hα-helixtrans-67.9-46.7175.7-169-169.9153.500111S21 R26 R27S21-E23 PolarHBondContact O-N 3.49Å; S21-E23 PolarHBondContact OG-N 3.28Å; E23-R26 PolarHBondContact O-N 2.94Å; E23-R27 PolarHBondContact O-N 2.99Å; E23-R27 IonicContact OE1-CZ 2.82Å; E23-R27 IonicContact OE1-NE 2.61Å; E23-R27 PolarHBondContact OE1-NE 2.98Å; E23-R27 IonicContact OE1-NH2 3.37Å; E23-R27 PolarHBondContact OE1-NH2 3.49Å
24V93.9Very high94.5Very high54 Ų5487.3 Ų87.333%0.32743%0.43SS..Hα-helixtrans-67.1-42.2-179.8179.50000110.4E19 S21 R26 R27 I28E19-V24 HydrophobicContact CG-CB 3.68Å; E19-V24 HydrophobicContact CG-CG1 3.77Å; E19-V24 WeakPolarHBondContact OE2-CG1 3.37Å; S21-V24 PolarHBondContact O-N 2.73Å; S21-V24 PolarHBondContact OG-N 2.92Å; V24-R26 VanDerWaalsContact C-N 3.28Å; V24-R26 PolarHBondContact O-N 2.8Å; V24-R27 WeakPolarHBondContact O-CB 3.46Å; V24-R27 PolarHBondContact O-N 3.27Å; V24-I28 HydrophobicContact CG1-CD1 3.94Å; V24-I28 HydrophobicContact CG1-CG1 4.31Å; V24-I28 WeakPolarHBondContact O-CG1 3.42Å; V24-I28 PolarHBondContact O-N 3.4Å
25L94.4Very high94.5Very high62 Ų6286.5 Ų86.533%0.32543%0.427SS..Hα-helixtrans-55.7-39.5174.3-80.5171.7000113.2E19 S21 L22 I28 S29E19-L25 HydrophobicContact CB-CD2 3.76Å; E19-L25 HydrophobicContact CB-CG 3.82Å; E19-L25 HydrophobicContact CG-CD2 4.34Å; E19-L25 HydrophobicContact CG-CG 3.88Å; E19-L25 WeakPolarHBondContact O-CD1 3.41Å; S21-L25 PolarHBondContact O-N 3.37Å; L22-L25 HydrophobicContact CD2-CD1 4.31Å; L25-I28 PolarHBondContact O-N 2.9Å; L25-S29 WeakPolarHBondContact O-CB 3.5Å; L25-S29 PolarHBondContact O-N 3.06Å; L25-S29 PolarHBondContact O-OG 3.17Å
26R96.4Very high94.4Very high165 Ų16582.4 Ų82.462%0.62341%0.409SS*.Hα-helixtrans-64.7-40.6176.2-74.4175.6-168.7113.7-4.8111.7L22 E23 V24 S29 S30L22-R26 VanDerWaalsContact O-CG 3.27Å; L22-R26 WeakPolarHBondContact O-CG 3.42Å; L22-R26 PolarHBondContact O-N 3.46Å; L22-R26 PolarHBondContact O-NH1 3.05Å; E23-R26 PolarHBondContact O-N 2.94Å; V24-R26 VanDerWaalsContact C-N 3.28Å; V24-R26 PolarHBondContact O-N 2.8Å; R26-S29 PolarHBondContact O-N 3.37Å; R26-S30 PolarHBondContact O-N 3.41Å
27R95.8Very high94.2Very high155 Ų15584.9 Ų84.959%0.58543%0.428SS*.Hα-helixtrans-65.6-45.5176.4-65.2176.2-174.5-88.92.2111.2E23 V24 S29 S30 I31E23-R27 PolarHBondContact O-N 2.99Å; E23-R27 IonicContact OE1-CZ 2.82Å; E23-R27 IonicContact OE1-NE 2.61Å; E23-R27 PolarHBondContact OE1-NE 2.98Å; E23-R27 IonicContact OE1-NH2 3.37Å; E23-R27 PolarHBondContact OE1-NH2 3.49Å; V24-R27 WeakPolarHBondContact O-CB 3.46Å; V24-R27 PolarHBondContact O-N 3.27Å; R27-S29 VanDerWaalsContact C-N 3.3Å; R27-S29 PolarHBondContact O-N 3.48Å; R27-S30 WeakPolarHBondContact O-CB 3.28Å; R27-S30 PolarHBondContact O-N 2.75Å; R27-S30 VanDerWaalsContact O-N 3.15Å; R27-I31 WeakPolarHBondContact O-CG1 3.43Å; R27-I31 PolarHBondContact O-N 3.39Å
28I94.7Very high94.1Very high21 Ų2186.5 Ų86.511%0.10844%0.439CS..Hα-helixtrans-59.1-44.3175.3-66.1175.2000110.4F14 H17 V24 L25 S30 I31 A32 L81F14-I28 HydrophobicContact CD1-CG2 3.96Å; F14-I28 HydrophobicContact CE1-CG2 4.5Å; H17-I28 WeakPolarHBondContact CD2-CD1 3.47Å; H17-I28 WeakPolarHBondContact NE2-CD1 3.32Å; V24-I28 HydrophobicContact CG1-CD1 3.94Å; V24-I28 HydrophobicContact CG1-CG1 4.31Å; V24-I28 WeakPolarHBondContact O-CG1 3.42Å; V24-I28 PolarHBondContact O-N 3.4Å; L25-I28 PolarHBondContact O-N 2.9Å; I28-S30 VanDerWaalsContact C-N 3.32Å; I28-S30 PolarHBondContact O-N 3.15Å; I28-I31 PolarHBondContact O-N 3.04Å; I28-A32 WeakPolarHBondContact O-CB 3.29Å; I28-A32 PolarHBondContact O-N 3.45Å; I28-L81 HydrophobicContact CD1-CD1 4.15Å
29S95.2Very high94.1Very high63 Ų6378.8 Ų78.844%0.44140%0.404SS..Hα-helixtrans-61.3-39.2176.7-61.80000112.4L25 R26 R27 A32 N33L25-S29 WeakPolarHBondContact O-CB 3.5Å; L25-S29 PolarHBondContact O-N 3.06Å; L25-S29 PolarHBondContact O-OG 3.17Å; R26-S29 PolarHBondContact O-N 3.37Å; R27-S29 VanDerWaalsContact C-N 3.3Å; R27-S29 PolarHBondContact O-N 3.48Å; S29-A32 PolarHBondContact O-N 3.31Å; S29-N33 WeakPolarHBondContact O-CB 3.49Å; S29-N33 PolarHBondContact O-N 3.03Å; S29-N33 PolarHBondContact O-ND2 2.93Å
30S96.5Very high93.9Very high74 Ų7481.5 Ų81.552%0.51741%0.414SS..Hα-helixtrans-63.3-41.6174.8-179.50000112R26 R27 I28 N33 S34R26-S30 PolarHBondContact O-N 3.41Å; R27-S30 WeakPolarHBondContact O-CB 3.28Å; R27-S30 PolarHBondContact O-N 2.75Å; R27-S30 VanDerWaalsContact O-N 3.15Å; I28-S30 VanDerWaalsContact C-N 3.32Å; I28-S30 PolarHBondContact O-N 3.15Å; S30-N33 PolarHBondContact O-N 2.96Å; S30-S34 PolarHBondContact O-N 3.16Å; S30-S34 PolarHBondContact O-OG 3.25Å
31I95.7Very high93.7Very high62 Ų6273.7 Ų73.732%0.31840%0.397SS..Hα-helixtrans-65.1-47175.6-63.9166000110.5F14 R27 I28 N33 S34 F35 L84F14-I31 HydrophobicContact CE1-CG2 4.47Å; F14-I31 HydrophobicContact CZ-CG2 4.03Å; R27-I31 WeakPolarHBondContact O-CG1 3.43Å; R27-I31 PolarHBondContact O-N 3.39Å; I28-I31 PolarHBondContact O-N 3.04Å; I31-N33 VanDerWaalsContact C-N 3.31Å; I31-N33 PolarHBondContact O-N 3.27Å; I31-S34 WeakPolarHBondContact O-CA 3.28Å; I31-S34 WeakPolarHBondContact O-CB 3.34Å; I31-S34 PolarHBondContact O-N 3.16Å; I31-F35 HydrophobicContact CG2-CD1 4.09Å; I31-F35 HydrophobicContact CG2-CE1 3.84Å; I31-F35 HydrophobicContact CG2-CZ 4.41Å; I31-F35 WeakPolarHBondContact O-CD1 3.4Å; I31-F35 PolarHBondContact O-N 2.89Å; I31-L84 HydrophobicContact CD1-CD1 4.29Å; I31-L84 HydrophobicContact CG2-CD1 4.39Å; I31-L84 HydrophobicContact CG2-CD2 4.49Å
32A95.9Very high93.1Very high29 Ų2973.1 Ų73.124%0.2439%0.39CS..Hα-helixtrans-59.1-41.1178.700000112.3F14 I28 S29 S34 F35 L36F14-A32 HydrophobicContact CD2-CB 3.59Å; F14-A32 HydrophobicContact CE2-CB 3.75Å; F14-A32 HydrophobicContact CG-CB 4.21Å; F14-A32 HydrophobicContact CZ-CB 4.44Å; I28-A32 WeakPolarHBondContact O-CB 3.29Å; I28-A32 PolarHBondContact O-N 3.45Å; S29-A32 PolarHBondContact O-N 3.31Å; A32-S34 VanDerWaalsContact C-N 3.33Å; A32-S34 PolarHBondContact O-N 3.42Å; A32-F35 WeakPolarHBondContact O-CB 3.3Å; A32-F35 PolarHBondContact O-N 3.5Å; A32-L36 PolarHBondContact O-N 3.4Å
33N95.9Very high92.5Very high106 Ų10672.2 Ų72.257%0.56738%0.383SS*.Hα-helixtrans-65.6-36.4174.1-79-59.2000112.6S29 S30 I31 F35 L36 C37S29-N33 WeakPolarHBondContact O-CB 3.49Å; S29-N33 PolarHBondContact O-N 3.03Å; S29-N33 PolarHBondContact O-ND2 2.93Å; S30-N33 PolarHBondContact O-N 2.96Å; I31-N33 VanDerWaalsContact C-N 3.31Å; I31-N33 PolarHBondContact O-N 3.27Å; N33-F35 VanDerWaalsContact C-N 3.34Å; N33-L36 PolarHBondContact O-N 3.38Å; N33-C37 PolarHBondContact O-N 3.28Å
34S94.3Very high91.5Very high66 Ų6676.3 Ų76.346%0.46239%0.394SS..Hα-helixtrans-63.9-42.4174.3-56.80000110.9S30 I31 A32 L36 C37 V38S30-S34 PolarHBondContact O-N 3.16Å; S30-S34 PolarHBondContact O-OG 3.25Å; I31-S34 WeakPolarHBondContact O-CA 3.28Å; I31-S34 WeakPolarHBondContact O-CB 3.34Å; I31-S34 PolarHBondContact O-N 3.16Å; A32-S34 VanDerWaalsContact C-N 3.33Å; A32-S34 PolarHBondContact O-N 3.42Å; S34-L36 VanDerWaalsContact C-N 3.34Å; S34-L36 PolarHBondContact O-N 3.49Å; S34-C37 WeakPolarHBondContact O-CB 3.32Å; S34-C37 PolarHBondContact O-N 2.88Å; S34-V38 PolarHBondContact O-N 2.86Å; S34-V38 VanDerWaalsContact O-N 3.11Å
35F94.3Very high90.8Very high12 Ų1275 Ų755%0.05339%0.387CS..Hα-helixtrans-61.4-43175.2-82.533.7000111.3L6 Y9 F14 I31 A32 N33 C37 V38 Q39 L84 L87 L88L6-F35 HydrophobicContact CD2-CB 4.15Å; L6-F35 HydrophobicContact CD2-CD1 4.29Å; L6-F35 HydrophobicContact CD2-CD2 3.46Å; L6-F35 VanDerWaalsContact CD2-CD2 3.46Å; L6-F35 HydrophobicContact CD2-CE2 3.82Å; L6-F35 HydrophobicContact CD2-CG 3.71Å; L6-F35 HydrophobicContact CD2-CZ 4.36Å; Y9-F35 HydrophobicContact CD1-CE2 4.12Å; Y9-F35 HydrophobicContact CD2-CE2 4.36Å; Y9-F35 AromaticContact CG-CE2 3.81Å; Y9-F35 HydrophobicContact CG-CE2 3.81Å; F14-F35 AromaticContact CE2-CD2 3.89Å; F14-F35 HydrophobicContact CE2-CD2 3.89Å; F14-F35 HydrophobicContact CE2-CE2 4.38Å; F14-F35 HydrophobicContact CE2-CG 4.29Å; F14-F35 HydrophobicContact CZ-CD2 4.01Å; F14-F35 HydrophobicContact CZ-CE2 4.07Å; F14-F35 HydrophobicContact CZ-CG 4.45Å; I31-F35 HydrophobicContact CG2-CD1 4.09Å; I31-F35 HydrophobicContact CG2-CE1 3.84Å; I31-F35 HydrophobicContact CG2-CZ 4.41Å; I31-F35 WeakPolarHBondContact O-CD1 3.4Å; I31-F35 PolarHBondContact O-N 2.89Å; A32-F35 WeakPolarHBondContact O-CB 3.3Å; A32-F35 PolarHBondContact O-N 3.5Å; N33-F35 VanDerWaalsContact C-N 3.34Å; F35-C37 VanDerWaalsContact C-N 3.29Å; F35-C37 PolarHBondContact O-N 3.38Å; F35-V38 PolarHBondContact O-N 3.46Å; F35-Q39 WeakPolarHBondContact O-CG 3.25Å; F35-Q39 PolarHBondContact O-N 2.84Å; F35-L84 HydrophobicContact CE1-CD2 4.38Å; F35-L84 HydrophobicContact CE2-CD2 4.16Å; F35-L84 HydrophobicContact CZ-CD2 3.55Å; F35-L87 HydrophobicContact CE2-CD2 3.55Å; F35-L87 HydrophobicContact CZ-CD2 3.57Å; F35-L88 HydrophobicContact CE1-CD2 4.35Å
36L92.2Very high89.8Confident61 Ų6176.3 Ų76.332%0.31939%0.391SS..Hα-helixtrans-59.9-39.1175.6-177.863.4000112.1A32 N33 S34 Q39 K40A32-L36 PolarHBondContact O-N 3.4Å; N33-L36 PolarHBondContact O-N 3.38Å; S34-L36 VanDerWaalsContact C-N 3.34Å; S34-L36 PolarHBondContact O-N 3.49Å; L36-Q39 PolarHBondContact O-N 3.4Å; L36-K40 WeakPolarHBondContact O-CG 3.4Å; L36-K40 PolarHBondContact O-N 2.88Å
37C91.4Very high88.8Confident80 Ų8074.1 Ų74.154%0.54140%0.396SS..Hα-helixtrans-63.7-42.5176.4-168.80000112N33 S34 F35 K40 S41N33-C37 PolarHBondContact O-N 3.28Å; S34-C37 WeakPolarHBondContact O-CB 3.32Å; S34-C37 PolarHBondContact O-N 2.88Å; F35-C37 VanDerWaalsContact C-N 3.29Å; F35-C37 PolarHBondContact O-N 3.38Å; C37-K40 PolarHBondContact O-N 2.79Å; C37-S41 PolarHBondContact O-N 2.88Å; C37-S41 PolarHBondContact O-OG 3.18Å; C37-S41 VanDerWaalsContact O-OG 3.08Å
38V89.4Confident87.8Confident62 Ų6272.6 Ų72.638%0.37640%0.395SS..Hα-helixtrans-64.1-44.2174.2179.90000110.9L6 S34 F35 K40 S41 L42L6-V38 HydrophobicContact CD1-CB 4.02Å; L6-V38 HydrophobicContact CD1-CG1 3.62Å; S34-V38 PolarHBondContact O-N 2.86Å; S34-V38 VanDerWaalsContact O-N 3.11Å; F35-V38 PolarHBondContact O-N 3.46Å; V38-K40 PolarHBondContact O-N 3.2Å; V38-S41 WeakPolarHBondContact O-CB 3.23Å; V38-S41 PolarHBondContact O-N 2.8Å; V38-L42 HydrophobicContact CG1-CD1 4.39Å; V38-L42 PolarHBondContact O-N 3.24Å; V38-L42 VanDerWaalsContact O-N 3.13Å
39Q89.1Confident86.7Confident4 Ų481.4 Ų81.42%0.01943%0.427CS..Hα-helixtrans-58.4-45.7176.9-73.7-173.2-58.900112.3L6 T7 F35 L36 S41 L42 E43L6-Q39 HydrophobicContact CB-CG 3.51Å; L6-Q39 HydrophobicContact CD1-CG 3.63Å; L6-Q39 HydrophobicContact CG-CG 4.2Å; T7-Q39 VanDerWaalsContact N-NE2 3.19Å; T7-Q39 PolarHBondContact OG1-NE2 3.39Å; F35-Q39 WeakPolarHBondContact O-CG 3.25Å; F35-Q39 PolarHBondContact O-N 2.84Å; L36-Q39 PolarHBondContact O-N 3.4Å; Q39-S41 PolarHBondContact O-N 3.41Å; Q39-L42 CarbonylContact O-C 3.54Å; Q39-L42 WeakPolarHBondContact O-CA 3.44Å; Q39-L42 WeakPolarHBondContact O-CB 3.41Å; Q39-L42 PolarHBondContact O-N 3.34Å; Q39-E43 PolarHBondContact O-N 2.66Å
40K89.3Confident85.7Confident119 Ų11985.4 Ų85.452%0.51744%0.439SS..Hα-helixtrans-58.1-33.3175.2-74.9178.7177.6-178.10112.9L36 C37 V38 L42L36-K40 WeakPolarHBondContact O-CG 3.4Å; L36-K40 PolarHBondContact O-N 2.88Å; C37-K40 PolarHBondContact O-N 2.79Å; V38-K40 PolarHBondContact O-N 3.2Å; K40-L42 VanDerWaalsContact C-N 3.33Å
41S86.2Confident84.8Confident82 Ų8284.7 Ų84.757%0.57343%0.433SS*.Hα-helixtrans-69.9-32.7175.3-56.10000111.8C37 V38 Q39C37-S41 PolarHBondContact O-N 2.88Å; C37-S41 PolarHBondContact O-OG 3.18Å; C37-S41 VanDerWaalsContact O-OG 3.08Å; V38-S41 WeakPolarHBondContact O-CB 3.23Å; V38-S41 PolarHBondContact O-N 2.8Å; Q39-S41 PolarHBondContact O-N 3.41Å
42L84.2Confident84.2Confident33 Ų3388.2 Ų88.217%0.17345%0.453CS..Hα-helixtrans-79.8-23.6176.5-63.7173.8000113.8T2 N3 L6 V38 Q39 K40 R44 C45 Q46T2-L42 HydrophobicContact CG2-CD1 4.02Å; N3-L42 HydrophobicContact CB-CD1 4.11Å; L6-L42 HydrophobicContact CD1-CD1 3.96Å; V38-L42 HydrophobicContact CG1-CD1 4.39Å; V38-L42 PolarHBondContact O-N 3.24Å; V38-L42 VanDerWaalsContact O-N 3.13Å; Q39-L42 CarbonylContact O-C 3.54Å; Q39-L42 WeakPolarHBondContact O-CA 3.44Å; Q39-L42 WeakPolarHBondContact O-CB 3.41Å; Q39-L42 PolarHBondContact O-N 3.34Å; K40-L42 VanDerWaalsContact C-N 3.33Å; L42-R44 PolarHBondContact O-N 3.28Å; L42-C45 WeakPolarHBondContact O-CA 3.34Å; L42-C45 VanDerWaalsContact O-CB 3.25Å; L42-C45 WeakPolarHBondContact O-CB 3.49Å; L42-C45 PolarHBondContact O-N 3.27Å; L42-Q46 PolarHBondContact O-N 2.9Å
43E81.9Confident83.7Confident96 Ų9689.2 Ų89.245%0.44946%0.457SS..Hα-helixtrans-55.3-37178.1-78.6174.4-179.600112.2Q39 C45 Q46 V47Q39-E43 PolarHBondContact O-N 2.66Å; E43-C45 PolarHBondContact O-N 3.42Å; E43-Q46 WeakPolarHBondContact O-CB 3.39Å; E43-Q46 PolarHBondContact O-N 3.34Å; E43-V47 WeakPolarHBondContact O-CG2 3.26Å; E43-V47 PolarHBondContact O-N 2.99Å
44R75.1Confident83.4Confident197 Ų19787.3 Ų87.374%0.74345%0.452SS*.Hα-helixtrans-56.3-41.4175.2-66.9-176.2-177.2177.61.4111.7L42 Q46 H48L42-R44 PolarHBondContact O-N 3.28Å; R44-Q46 VanDerWaalsContact C-N 3.35Å; R44-H48 PolarHBondContact O-N 3.4Å; R44-H48 PolarHBondContact O-ND1 3.27Å
45C79.6Confident83.3Confident26 Ų2690.4 Ų90.418%0.17646%0.46CS..Hα-helixtrans-68.8-32.9178.4-165.20000112.5L42 E43 R49 Q50 C51L42-C45 WeakPolarHBondContact O-CA 3.34Å; L42-C45 VanDerWaalsContact O-CB 3.25Å; L42-C45 WeakPolarHBondContact O-CB 3.49Å; L42-C45 PolarHBondContact O-N 3.27Å; E43-C45 PolarHBondContact O-N 3.42Å; C45-R49 PolarHBondContact O-N 2.98Å; C45-Q50 PolarHBondContact O-N 3.48Å; C45-Q50 VanDerWaalsContact SG-CB 3.59Å; C45-C51 HydrophobicContact CB-CB 3.8Å; C45-C51 WeakPolarHBondContact CB-SG 3.45Å; C45-C51 PolarHBondContact O-N 2.9Å; C45-C51 VanDerWaalsContact SG-CA 3.58Å; C45-C51 WeakPolarHBondContact SG-CB 3.38Å; C45-C51 PolarHBondContact SG-N 3.06Å; C45-C51 CovalentContact SG-SG 2.01Å; C45-C51 PolarHBondContact SG-SG 3.49Å
46Q72.3Confident83.3Confident90 Ų9097.3 Ų97.342%0.42149%0.492SS..Hα-helixtrans-71.6-45.4175.7-70.6-177.3-22.300112.3N3 L42 E43 R44 H48 R49N3-Q46 VanDerWaalsContact CG-NE2 3.34Å; N3-Q46 PolarHBondContact ND2-NE2 3.48Å; L42-Q46 PolarHBondContact O-N 2.9Å; E43-Q46 WeakPolarHBondContact O-CB 3.39Å; E43-Q46 PolarHBondContact O-N 3.34Å; R44-Q46 VanDerWaalsContact C-N 3.35Å; Q46-H48 PolarHBondContact O-N 2.87Å; Q46-R49 PolarHBondContact O-N 3.22Å
47V75.9Confident83.2Confident118 Ų11895.1 Ų95.172%0.71548%0.482SS*.Hα-helixtrans-57.7-37.7177.2172.40000110.7E43 R49E43-V47 WeakPolarHBondContact O-CG2 3.26Å; E43-V47 PolarHBondContact O-N 2.99Å; V47-R49 VanDerWaalsContact C-N 3.3Å; V47-R49 PolarHBondContact O-N 2.96Å
48H75.4Confident83.2Confident123 Ų12394.1 Ų94.157%0.56947%0.474SS*.THydrogen-bonded Turntrans-87.54179.7-64.560.2000113.2R44 Q46 Q50R44-H48 PolarHBondContact O-N 3.4Å; R44-H48 PolarHBondContact O-ND1 3.27Å; Q46-H48 PolarHBondContact O-N 2.87Å; H48-Q50 HydrophobicContact CB-CG 3.94Å; H48-Q50 PolarHBondContact O-N 3.21Å; H48-Q50 VanDerWaalsContact O-N 3.09Å
49R70.4Confident83.5Confident207 Ų20794.1 Ų94.178%0.78147%0.472SS*.THydrogen-bonded Turntrans51.825.3-173.9-60.3-172.9178.7-164.9-0.1114.5C45 Q46 V47 C51C45-R49 PolarHBondContact O-N 2.98Å; Q46-R49 PolarHBondContact O-N 3.22Å; V47-R49 VanDerWaalsContact C-N 3.3Å; V47-R49 PolarHBondContact O-N 2.96Å; R49-C51 VanDerWaalsContact C-N 3.3Å
50Q74.3Confident83.8Confident146 Ų14695.5 Ų95.568%0.68248%0.484SS*.  trans-83-11.1-179.9-71.4171.5-0.300112C45 H48C45-Q50 PolarHBondContact O-N 3.48Å; C45-Q50 VanDerWaalsContact SG-CB 3.59Å; H48-Q50 HydrophobicContact CB-CG 3.94Å; H48-Q50 PolarHBondContact O-N 3.21Å; H48-Q50 VanDerWaalsContact O-N 3.09Å
51C78.4Confident84Confident59 Ų5990.4 Ų90.440%0.39946%0.463SS..  trans-116.652.8-178.5-79.30000113C45 R49C45-C51 HydrophobicContact CB-CB 3.8Å; C45-C51 WeakPolarHBondContact CB-SG 3.45Å; C45-C51 PolarHBondContact O-N 2.9Å; C45-C51 VanDerWaalsContact SG-CA 3.58Å; C45-C51 WeakPolarHBondContact SG-CB 3.38Å; C45-C51 PolarHBondContact SG-N 3.06Å; C45-C51 CovalentContact SG-SG 2.01Å; C45-C51 PolarHBondContact SG-SG 3.49Å; R49-C51 VanDerWaalsContact C-N 3.3Å
52N82.4Confident84.5Confident137 Ų13793.5 Ų93.573%0.73346%0.462SS*.PPolyproline II helixtrans-69.1134.4171.1-69.1-21.4000110.3
53C85.6Confident85.1Confident50 Ų5096.2 Ų96.234%0.33848%0.475SS..PPolyproline II helixtrans-84.1132.3173.3-70.90000109.9M1 A57M1-C53 PolarHBondContact N-SG 2.82Å; C53-A57 HydrophobicContact CB-CB 4.29Å
54S89.6Confident85.8Confident66 Ų6694.3 Ų94.346%0.46247%0.468SS..PPolyproline II helixtrans-63163168.366.60000110.8E56 A57 T58S54-E56 PolarHBondContact O-N 2.83Å; S54-A57 PolarHBondContact O-N 3.01Å; S54-A57 WeakPolarHBondContact OG-CB 3.15Å; S54-A57 PolarHBondContact OG-N 3.03Å; S54-A57 VanDerWaalsContact OG-N 3.13Å; S54-T58 WeakPolarHBondContact O-CB 3.43Å; S54-T58 PolarHBondContact O-N 3.45Å; S54-T58 PolarHBondContact O-OG1 3.39Å
55Q92.9Very high86.9Confident131 Ų13187.8 Ų87.861%0.61245%0.446SS*.Hα-helixtrans-59.6-37.4173.5-171.160.149.400111.4T58 N59Q55-T58 WeakPolarHBondContact O-CB 3.49Å; Q55-T58 PolarHBondContact O-N 3.09Å; Q55-N59 PolarHBondContact NE2-OD1 3.29Å; Q55-N59 WeakPolarHBondContact O-CB 3.25Å; Q55-N59 PolarHBondContact O-N 3.49Å; Q55-N59 PolarHBondContact O-OD1 3.49Å
56E93.1Very high87.8Confident157 Ų15789.8 Ų89.873%0.73446%0.455SS*.Hα-helixtrans-60.5-51.1175.6-176.5-178.1-174.400111.8S54 T58 N59 A60S54-E56 PolarHBondContact O-N 2.83Å; E56-T58 PolarHBondContact O-N 3.22Å; E56-N59 PolarHBondContact O-N 3.27Å; E56-A60 WeakPolarHBondContact O-CB 3.48Å; E56-A60 PolarHBondContact O-N 2.92Å
57A90.8Very high89Confident14 Ų1489.7 Ų89.712%0.11646%0.457CS..Hα-helixtrans-60.5-35.7177.300000112.3M1 C53 S54 T61M1-A57 HydrophobicContact CB-CB 4.11Å; M1-A57 HydrophobicContact SD-CB 4.4Å; C53-A57 HydrophobicContact CB-CB 4.29Å; S54-A57 PolarHBondContact O-N 3.01Å; S54-A57 WeakPolarHBondContact OG-CB 3.15Å; S54-A57 PolarHBondContact OG-N 3.03Å; S54-A57 VanDerWaalsContact OG-N 3.13Å; A57-T61 WeakPolarHBondContact O-CB 3.42Å; A57-T61 PolarHBondContact O-N 3.41Å; A57-T61 PolarHBondContact O-OG1 3.41Å
58T92.2Very high90.1Very high59 Ų5984.5 Ų84.536%0.36243%0.425SS..Hα-helixtrans-67.8-46.1176.6-57.10000110.9S54 Q55 E56 T61 R62S54-T58 WeakPolarHBondContact O-CB 3.43Å; S54-T58 PolarHBondContact O-N 3.45Å; S54-T58 PolarHBondContact O-OG1 3.39Å; Q55-T58 WeakPolarHBondContact O-CB 3.49Å; Q55-T58 PolarHBondContact O-N 3.09Å; E56-T58 PolarHBondContact O-N 3.22Å; T58-T61 WeakPolarHBondContact O-CB 3.29Å; T58-T61 PolarHBondContact O-N 3.39Å; T58-R62 PolarHBondContact O-N 2.96Å
59N95.8Very high91.1Very high62 Ų6283 Ų8333%0.33242%0.421SS..Hα-helixtrans-64-42.6177.1-70.6-10.7000111.9Q55 E56 T61 R62 I63Q55-N59 PolarHBondContact NE2-OD1 3.29Å; Q55-N59 WeakPolarHBondContact O-CB 3.25Å; Q55-N59 PolarHBondContact O-N 3.49Å; Q55-N59 PolarHBondContact O-OD1 3.49Å; E56-N59 PolarHBondContact O-N 3.27Å; N59-T61 VanDerWaalsContact C-N 3.33Å; N59-T61 PolarHBondContact O-N 3.01Å; N59-R62 WeakPolarHBondContact O-CB 3.48Å; N59-R62 PolarHBondContact O-N 2.83Å; N59-R62 VanDerWaalsContact O-N 3.16Å; N59-I63 WeakPolarHBondContact O-CG1 3.43Å; N59-I63 PolarHBondContact O-N 2.75Å
60A94.8Very high92.4Very high33 Ų3380 Ų8027%0.27342%0.416SS..Hα-helixtrans-61-42.7175.800000111.6M1 E56 R62 I63 I64M1-A60 HydrophobicContact CE-CB 3.92Å; E56-A60 WeakPolarHBondContact O-CB 3.48Å; E56-A60 PolarHBondContact O-N 2.92Å; A60-R62 VanDerWaalsContact C-N 3.33Å; A60-R62 PolarHBondContact O-N 3.35Å; A60-I63 PolarHBondContact O-N 2.98Å; A60-I64 PolarHBondContact O-N 3.25Å
61T94Very high93.5Very high13 Ų1377 Ų778%0.0840%0.404CS..Hα-helixtrans-60.1-44.8173.6-550000110.7N4 A57 T58 N59 I63 I64 H65N4-T61 HydrophobicContact CB-CG2 3.61Å; A57-T61 WeakPolarHBondContact O-CB 3.42Å; A57-T61 PolarHBondContact O-N 3.41Å; A57-T61 PolarHBondContact O-OG1 3.41Å; T58-T61 WeakPolarHBondContact O-CB 3.29Å; T58-T61 PolarHBondContact O-N 3.39Å; N59-T61 VanDerWaalsContact C-N 3.33Å; N59-T61 PolarHBondContact O-N 3.01Å; T61-I63 PolarHBondContact O-N 3.19Å; T61-I64 WeakPolarHBondContact O-CB 2.91Å; T61-I64 PolarHBondContact O-N 3.2Å; T61-H65 PolarHBondContact O-CD2 2.95Å; T61-H65 PolarHBondContact O-N 3.38Å
62R96.3Very high94.4Very high147 Ų14779 Ų7956%0.55541%0.407SS*.Hα-helixtrans-60.3-44179-174.6-176.663.6151.61.2112.3T58 N59 A60 I64 H65 D66T58-R62 PolarHBondContact O-N 2.96Å; N59-R62 WeakPolarHBondContact O-CB 3.48Å; N59-R62 PolarHBondContact O-N 2.83Å; N59-R62 VanDerWaalsContact O-N 3.16Å; A60-R62 VanDerWaalsContact C-N 3.33Å; A60-R62 PolarHBondContact O-N 3.35Å; R62-I64 PolarHBondContact O-N 3.45Å; R62-H65 WeakPolarHBondContact O-CB 3.33Å; R62-H65 PolarHBondContact O-N 3Å; R62-D66 VanDerWaalsContact O-CG 3.32Å; R62-D66 PolarHBondContact O-N 3.41Å
63I97.5Very high95.1Very high89 Ų8975.8 Ų75.846%0.45639%0.393SS..Hα-helixtrans-56.5-38.2177.5-69.2165.1000111.2N59 A60 T61 D66 N67N59-I63 WeakPolarHBondContact O-CG1 3.43Å; N59-I63 PolarHBondContact O-N 2.75Å; A60-I63 PolarHBondContact O-N 2.98Å; T61-I63 PolarHBondContact O-N 3.19Å; I63-D66 PolarHBondContact O-N 3.24Å; I63-N67 WeakPolarHBondContact O-CB 3.5Å; I63-N67 PolarHBondContact O-N 3.46Å; I63-N67 PolarHBondContact O-ND2 3.31Å
64I96.6Very high95.5Very high57 Ų5775.6 Ų75.629%0.29239%0.392SS..Hα-helixtrans-64.4-45.2177.1-65.5165.3000110.9L5 F8 A60 T61 R62 D66 N67 Y68L5-I64 HydrophobicContact CD2-CD1 3.39Å; F8-I64 HydrophobicContact CD1-CG2 4.18Å; F8-I64 HydrophobicContact CE1-CG2 3.87Å; F8-I64 HydrophobicContact CE2-CG2 4.39Å; F8-I64 HydrophobicContact CZ-CG2 3.97Å; A60-I64 PolarHBondContact O-N 3.25Å; T61-I64 WeakPolarHBondContact O-CB 2.91Å; T61-I64 PolarHBondContact O-N 3.2Å; R62-I64 PolarHBondContact O-N 3.45Å; I64-D66 VanDerWaalsContact C-N 3.35Å; I64-N67 PolarHBondContact O-N 2.86Å; I64-Y68 WeakPolarHBondContact O-CB 3.47Å; I64-Y68 PolarHBondContact O-N 3.38Å
65H97.3Very high95.8Very high59 Ų5975.5 Ų75.527%0.27339%0.391SS..Hα-helixtrans-61.8-42.6174.4-80.1-91.7000112.1F8 T61 R62 N67 Y68 N69F8-H65 AromaticContact CD2-CE1 3.55Å; F8-H65 AromaticContact CD2-ND1 3.81Å; F8-H65 AromaticContact CD2-NE2 3.82Å; T61-H65 PolarHBondContact O-CD2 2.95Å; T61-H65 PolarHBondContact O-N 3.38Å; R62-H65 WeakPolarHBondContact O-CB 3.33Å; R62-H65 PolarHBondContact O-N 3Å; H65-N67 VanDerWaalsContact C-N 3.34Å; H65-N67 PolarHBondContact O-N 3.47Å; H65-Y68 WeakPolarHBondContact O-CB 3.31Å; H65-Y68 PolarHBondContact O-N 3.47Å; H65-N69 WeakPolarHBondContact O-CB 3.46Å; H65-N69 PolarHBondContact O-N 3.45Å; H65-N69 PolarHBondContact O-ND2 2.85Å
66D98.1Very high96.1Very high69 Ų6969.3 Ų69.337%0.36936%0.363SS..Hα-helixtrans-64.1-40.3179.5-66.3-20.3000111.3R62 I63 I64 N69 Q70R62-D66 VanDerWaalsContact O-CG 3.32Å; R62-D66 PolarHBondContact O-N 3.41Å; I63-D66 PolarHBondContact O-N 3.24Å; I64-D66 VanDerWaalsContact C-N 3.35Å; D66-N69 PolarHBondContact O-N 2.97Å; D66-Q70 WeakPolarHBondContact O-CG 3.33Å; D66-Q70 PolarHBondContact O-N 3.39Å; D66-Q70 PolarHBondContact O-NE2 3.25Å
67N97.8Very high96.3Very high88 Ų8861.9 Ų61.947%0.47133%0.328SS..Hα-helixtrans-66-40.3175.2-70.9-15.5000112I63 I64 H65 N69 Q70I63-N67 WeakPolarHBondContact O-CB 3.5Å; I63-N67 PolarHBondContact O-N 3.46Å; I63-N67 PolarHBondContact O-ND2 3.31Å; I64-N67 PolarHBondContact O-N 2.86Å; H65-N67 VanDerWaalsContact C-N 3.34Å; H65-N67 PolarHBondContact O-N 3.47Å; N67-N69 VanDerWaalsContact C-N 3.34Å; N67-Q70 PolarHBondContact O-N 3.04Å; N67-Q70 PolarHBondContact OD1-NE2 3.05Å
68Y98Very high96.5Very high9 Ų966.3 Ų66.34%0.03535%0.349CS..Hα-helixtrans-61.6-44175.7-172.3-89.1000111.5F8 R12 V13 D16 I64 H65 Q70 L71 A76 S80F8-Y68 HydrophobicContact CE2-CD1 4.49Å; F8-Y68 AromaticContact CE2-CD2 3.9Å; F8-Y68 HydrophobicContact CE2-CD2 3.9Å; F8-Y68 HydrophobicContact CE2-CE2 4.48Å; F8-Y68 AromaticContact CE2-CG 3.88Å; F8-Y68 HydrophobicContact CE2-CG 3.88Å; F8-Y68 AromaticContact CZ-CD2 3.51Å; F8-Y68 HydrophobicContact CZ-CD2 3.51Å; F8-Y68 HydrophobicContact CZ-CE2 4.12Å; F8-Y68 AromaticContact CZ-CG 3.93Å; F8-Y68 HydrophobicContact CZ-CG 3.93Å; R12-Y68 HydrophobicContact CB-CE1 4.26Å; V13-Y68 HydrophobicContact CG2-CE2 4.11Å; D16-Y68 VanDerWaalsContact CB-OH 3.25Å; D16-Y68 WeakPolarHBondContact CB-OH 3.48Å; D16-Y68 WeakPolarHBondContact OD2-CE1 3.41Å; D16-Y68 PolarHBondContact OD2-OH 3.16Å; I64-Y68 WeakPolarHBondContact O-CB 3.47Å; I64-Y68 PolarHBondContact O-N 3.38Å; H65-Y68 WeakPolarHBondContact O-CB 3.31Å; H65-Y68 PolarHBondContact O-N 3.47Å; Y68-Q70 PolarHBondContact O-N 2.85Å; Y68-L71 PolarHBondContact O-N 2.98Å; Y68-A76 HydrophobicContact CD1-CB 4.04Å; Y68-A76 HydrophobicContact CD2-CB 3.61Å; Y68-A76 HydrophobicContact CE1-CB 3.91Å; Y68-A76 HydrophobicContact CE2-CB 3.48Å; Y68-A76 VanDerWaalsContact CE2-CB 3.48Å; Y68-A76 WeakPolarHBondContact CE2-O 3.42Å; Y68-A76 HydrophobicContact CG-CB 3.91Å; Y68-A76 WeakPolarHBondContact O-CB 3.39Å; Y68-S80 WeakPolarHBondContact CD2-OG 3.37Å
69N97.6Very high96.8Very high91 Ų9168.8 Ų68.849%0.48736%0.355SS..Hα-helixtrans-72-11.6-177.7-66.4-23.4000114.2R12 H65 D66 N67 L71R12-N69 PolarHBondContact NH2-OD1 3.47Å; H65-N69 WeakPolarHBondContact O-CB 3.46Å; H65-N69 PolarHBondContact O-N 3.45Å; H65-N69 PolarHBondContact O-ND2 2.85Å; D66-N69 PolarHBondContact O-N 2.97Å; N67-N69 VanDerWaalsContact C-N 3.34Å; N69-L71 VanDerWaalsContact C-N 3.28Å
70Q97.9Very high96.9Very high144 Ų14466.3 Ų66.367%0.67334%0.342SS*.THydrogen-bonded Turntrans-79.2-10.9174.7-76.3167.560.800113.3D66 N67 Y68D66-Q70 WeakPolarHBondContact O-CG 3.33Å; D66-Q70 PolarHBondContact O-N 3.39Å; D66-Q70 PolarHBondContact O-NE2 3.25Å; N67-Q70 PolarHBondContact O-N 3.04Å; N67-Q70 PolarHBondContact OD1-NE2 3.05Å; Y68-Q70 PolarHBondContact O-N 2.85Å
71L97.5Very high96.9Very high82 Ų8265.9 Ų65.943%0.42934%0.335SS..SBendtrans-108.9161-178.7-60.5177.2000110.8Y68 N69 A76 K79Y68-L71 PolarHBondContact O-N 2.98Å; N69-L71 VanDerWaalsContact C-N 3.28Å; L71-A76 HydrophobicContact CB-CB 3.86Å; L71-A76 HydrophobicContact CD1-CB 4.44Å; L71-K79 HydrophobicContact CD1-CD 3.89Å
72E97.3Very high97Very high102 Ų10268 Ų6848%0.47736%0.36SS..  trans-61.9139.9165.9-178.3-79.1141.800109.5S74 S75 A76E72-S74 PolarHBondContact O-N 2.86Å; E72-S74 VanDerWaalsContact OE1-CB 3.28Å; E72-S74 WeakPolarHBondContact OE1-CB 3.44Å; E72-S74 PolarHBondContact OE1-N 3.21Å; E72-S74 PolarHBondContact OE1-OG 3.46Å; E72-S74 WeakPolarHBondContact OE2-CA 3.43Å; E72-S74 VanDerWaalsContact OE2-CB 3.29Å; E72-S74 WeakPolarHBondContact OE2-CB 3.35Å; E72-S74 PolarHBondContact OE2-N 3.39Å; E72-S74 VanDerWaalsContact OE2-N 3.15Å; E72-S75 CarbonylContact O-C 3.58Å; E72-S75 WeakPolarHBondContact O-CA 3.27Å; E72-S75 WeakPolarHBondContact O-CB 3.33Å; E72-S75 PolarHBondContact O-N 3.05Å; E72-S75 WeakPolarHBondContact OE2-CB 3.48Å; E72-S75 PolarHBondContact OE2-N 3.11Å; E72-S75 PolarHBondContact OE2-OG 3.04Å; E72-A76 WeakPolarHBondContact O-CB 3.25Å; E72-A76 PolarHBondContact O-N 3.38Å
73V96.3Very high97.1Very high70 Ų7064.3 Ų64.342%0.42435%0.349SS..Hα-helixtrans-53.7-47.5-167.6172.40000112.7D16 S75 A76 A77D16-V73 HydrophobicContact CB-CG1 3.54Å; D16-V73 VanDerWaalsContact CG-CG1 3.46Å; V73-S75 PolarHBondContact O-N 3.18Å; V73-A76 PolarHBondContact O-N 3.34Å; V73-A77 WeakPolarHBondContact O-CB 3.44Å; V73-A77 PolarHBondContact O-N 3.38Å
74S94.3Very high97Very high45 Ų4561.1 Ų61.132%0.31533%0.333SS..Hα-helixtrans-65.7-40.7-179.7-41.50000111.5E72 A77 L78E72-S74 PolarHBondContact O-N 2.86Å; E72-S74 VanDerWaalsContact OE1-CB 3.28Å; E72-S74 WeakPolarHBondContact OE1-CB 3.44Å; E72-S74 PolarHBondContact OE1-N 3.21Å; E72-S74 PolarHBondContact OE1-OG 3.46Å; E72-S74 WeakPolarHBondContact OE2-CA 3.43Å; E72-S74 VanDerWaalsContact OE2-CB 3.29Å; E72-S74 WeakPolarHBondContact OE2-CB 3.35Å; E72-S74 PolarHBondContact OE2-N 3.39Å; E72-S74 VanDerWaalsContact OE2-N 3.15Å; S74-A77 PolarHBondContact O-N 2.88Å; S74-L78 WeakPolarHBondContact O-CB 3.45Å; S74-L78 PolarHBondContact O-N 3.35Å
75S96.7Very high96.9Very high65 Ų6563.4 Ų63.446%0.45535%0.346SS..Hα-helixtrans-66.9-40.6177.3-55.10000111.9E72 V73 K79E72-S75 CarbonylContact O-C 3.58Å; E72-S75 WeakPolarHBondContact O-CA 3.27Å; E72-S75 WeakPolarHBondContact O-CB 3.33Å; E72-S75 PolarHBondContact O-N 3.05Å; E72-S75 WeakPolarHBondContact OE2-CB 3.48Å; E72-S75 PolarHBondContact OE2-N 3.11Å; E72-S75 PolarHBondContact OE2-OG 3.04Å; V73-S75 PolarHBondContact O-N 3.18Å; S75-K79 VanDerWaalsContact O-CB 3.29Å; S75-K79 WeakPolarHBondContact O-CB 3.39Å; S75-K79 PolarHBondContact O-N 2.97Å
76A97.9Very high96.8Very high1 Ų165.6 Ų65.61%0.00836%0.358CS..Hα-helixtrans-63.5-45176.400000111.2Y68 L71 E72 V73 K79 S80Y68-A76 HydrophobicContact CD1-CB 4.04Å; Y68-A76 HydrophobicContact CD2-CB 3.61Å; Y68-A76 HydrophobicContact CE1-CB 3.91Å; Y68-A76 HydrophobicContact CE2-CB 3.48Å; Y68-A76 VanDerWaalsContact CE2-CB 3.48Å; Y68-A76 WeakPolarHBondContact CE2-O 3.42Å; Y68-A76 HydrophobicContact CG-CB 3.91Å; Y68-A76 WeakPolarHBondContact O-CB 3.39Å; L71-A76 HydrophobicContact CB-CB 3.86Å; L71-A76 HydrophobicContact CD1-CB 4.44Å; E72-A76 WeakPolarHBondContact O-CB 3.25Å; E72-A76 PolarHBondContact O-N 3.38Å; V73-A76 PolarHBondContact O-N 3.34Å; A76-K79 PolarHBondContact O-N 3.23Å; A76-S80 WeakPolarHBondContact O-CB 3.39Å; A76-S80 PolarHBondContact O-N 3.05Å; A76-S80 PolarHBondContact O-OG 2.77Å
77A97.3Very high96.6Very high0 Ų062.8 Ų62.80%034%0.343CS..Hα-helixtrans-62.8-48.6177.100000111.5D16 H17 V73 S74 K79 S80 L81D16-A77 HydrophobicContact CB-CB 3.85Å; H17-A77 HydrophobicContact CB-CB 4.01Å; V73-A77 WeakPolarHBondContact O-CB 3.44Å; V73-A77 PolarHBondContact O-N 3.38Å; S74-A77 PolarHBondContact O-N 2.88Å; A77-K79 PolarHBondContact O-N 3.14Å; A77-S80 PolarHBondContact O-N 2.89Å; A77-L81 WeakPolarHBondContact O-CG 3.39Å; A77-L81 PolarHBondContact O-N 2.96Å
78L96.3Very high96.4Very high108 Ų10863 Ų6357%0.56534%0.344SS*.Hα-helixtrans-61.4-43.9178.2-179.762.2000111.9S74 L81 G82S74-L78 WeakPolarHBondContact O-CB 3.45Å; S74-L78 PolarHBondContact O-N 3.35Å; L78-L81 PolarHBondContact O-N 3.5Å; L78-G82 PolarHBondContact O-N 2.75Å
79K97.4Very high96.2Very high110 Ų11064.7 Ų64.748%0.47836%0.36SS..Hα-helixtrans-60.9-47.6175.9177171171.649.20111.3L71 S75 A76 A77 L81 G82 E83L71-K79 HydrophobicContact CD1-CD 3.89Å; S75-K79 VanDerWaalsContact O-CB 3.29Å; S75-K79 WeakPolarHBondContact O-CB 3.39Å; S75-K79 PolarHBondContact O-N 2.97Å; A76-K79 PolarHBondContact O-N 3.23Å; A77-K79 PolarHBondContact O-N 3.14Å; K79-L81 VanDerWaalsContact C-N 3.32Å; K79-L81 PolarHBondContact O-N 3.18Å; K79-G82 WeakPolarHBondContact O-CA 3.49Å; K79-G82 PolarHBondContact O-N 3.15Å; K79-E83 WeakPolarHBondContact CE-OE1 3.43Å; K79-E83 IonicContact NZ-OE1 3.54Å; K79-E83 PolarHBondContact NZ-OE1 3.28Å; K79-E83 PolarHBondContact O-N 3.35Å; K79-E83 VanDerWaalsContact O-N 3.14Å
80S97.8Very high95.9Very high11 Ų1163.9 Ų63.98%0.07735%0.35CS..Hα-helixtrans-64.3-37.3-179.3-56.20000111.8Y9 V13 Y68 A76 A77 G82 E83 L84Y9-S80 WeakPolarHBondContact CE1-O 3.39Å; Y9-S80 PolarHBondContact OH-O 3.44Å; Y9-S80 VanDerWaalsContact OH-O 3.1Å; V13-S80 VanDerWaalsContact CG2-CB 3.47Å; Y68-S80 WeakPolarHBondContact CD2-OG 3.37Å; A76-S80 WeakPolarHBondContact O-CB 3.39Å; A76-S80 PolarHBondContact O-N 3.05Å; A76-S80 PolarHBondContact O-OG 2.77Å; A77-S80 PolarHBondContact O-N 2.89Å; S80-G82 VanDerWaalsContact C-N 3.31Å; S80-G82 PolarHBondContact O-N 2.92Å; S80-E83 PolarHBondContact O-N 3.13Å; S80-E83 VanDerWaalsContact O-N 3.12Å; S80-L84 PolarHBondContact O-N 3.29Å
81L96.3Very high95.5Very high24 Ų2458.5 Ų58.513%0.12633%0.325CS..Hα-helixtrans-60.4-41.2170.6-79.2173.2000112.1V13 F14 H17 I28 A77 L78 K79 E83 L84V13-L81 HydrophobicContact CG1-CD2 3.93Å; V13-L81 HydrophobicContact CG1-CG 3.68Å; F14-L81 HydrophobicContact CD1-CD2 3.85Å; F14-L81 HydrophobicContact CE1-CD2 3.68Å; H17-L81 HydrophobicContact CB-CD1 3.79Å; H17-L81 VanDerWaalsContact CD2-CD1 3.41Å; H17-L81 WeakPolarHBondContact CD2-CD1 3.48Å; H17-L81 WeakPolarHBondContact ND1-CD1 3.37Å; I28-L81 HydrophobicContact CD1-CD1 4.15Å; A77-L81 WeakPolarHBondContact O-CG 3.39Å; A77-L81 PolarHBondContact O-N 2.96Å; L78-L81 PolarHBondContact O-N 3.5Å; K79-L81 VanDerWaalsContact C-N 3.32Å; K79-L81 PolarHBondContact O-N 3.18Å; L81-E83 PolarHBondContact O-N 3.18Å; L81-L84 HydrophobicContact CD2-CD1 3.92Å; L81-L84 WeakPolarHBondContact O-CB 3.18Å; L81-L84 WeakPolarHBondContact O-CD1 3.49Å; L81-L84 VanDerWaalsContact O-CG 3.26Å; L81-L84 WeakPolarHBondContact O-CG 3.39Å; L81-L84 PolarHBondContact O-N 3.31Å
82G96Very high95.1Very high58 Ų5858.9 Ų58.960%0.59833%0.328SS*.Hα-helixtrans-63.8-21.717500000114.1L78 K79 S80 N85L78-G82 PolarHBondContact O-N 2.75Å; K79-G82 WeakPolarHBondContact O-CA 3.49Å; K79-G82 PolarHBondContact O-N 3.15Å; S80-G82 VanDerWaalsContact C-N 3.31Å; S80-G82 PolarHBondContact O-N 2.92Å; G82-N85 PolarHBondContact O-OD1 3.08Å
83E97.4Very high94.8Very high68 Ų6863.9 Ų63.932%0.31834%0.342SS..THydrogen-bonded Turntrans-94.98.2178.9-67.2177.5-176.900113.4K79 S80 L81 N85 I86 L87K79-E83 WeakPolarHBondContact CE-OE1 3.43Å; K79-E83 IonicContact NZ-OE1 3.54Å; K79-E83 PolarHBondContact NZ-OE1 3.28Å; K79-E83 PolarHBondContact O-N 3.35Å; K79-E83 VanDerWaalsContact O-N 3.14Å; S80-E83 PolarHBondContact O-N 3.13Å; S80-E83 VanDerWaalsContact O-N 3.12Å; L81-E83 PolarHBondContact O-N 3.18Å; E83-N85 PolarHBondContact O-N 3.44Å; E83-I86 HydrophobicContact CB-CD1 4.22Å; E83-I86 HydrophobicContact CG-CD1 4.08Å; E83-I86 WeakPolarHBondContact O-CB 3.48Å; E83-I86 PolarHBondContact O-N 3.21Å; E83-L87 PolarHBondContact O-N 2.85Å
84L95.3Very high94.1Very high22 Ų2265 Ų6512%0.11535%0.346CS..Hα-helixtrans-54.6-36.9176.1-84.7170.1000112.4Y9 I31 F35 S80 L81 I86 L87 L88Y9-L84 HydrophobicContact CD1-CD2 3.77Å; Y9-L84 HydrophobicContact CE1-CD2 3.44Å; Y9-L84 VanDerWaalsContact CE1-CD2 3.44Å; Y9-L84 HydrophobicContact CE1-CG 3.9Å; I31-L84 HydrophobicContact CD1-CD1 4.29Å; I31-L84 HydrophobicContact CG2-CD1 4.39Å; I31-L84 HydrophobicContact CG2-CD2 4.49Å; F35-L84 HydrophobicContact CE1-CD2 4.38Å; F35-L84 HydrophobicContact CE2-CD2 4.16Å; F35-L84 HydrophobicContact CZ-CD2 3.55Å; S80-L84 PolarHBondContact O-N 3.29Å; L81-L84 HydrophobicContact CD2-CD1 3.92Å; L81-L84 WeakPolarHBondContact O-CB 3.18Å; L81-L84 WeakPolarHBondContact O-CD1 3.49Å; L81-L84 VanDerWaalsContact O-CG 3.26Å; L81-L84 WeakPolarHBondContact O-CG 3.39Å; L81-L84 PolarHBondContact O-N 3.31Å; L84-I86 VanDerWaalsContact C-N 3.28Å; L84-I86 PolarHBondContact O-N 2.99Å; L84-L87 PolarHBondContact O-N 3.3Å; L84-L88 WeakPolarHBondContact O-CB 3.47Å; L84-L88 VanDerWaalsContact O-CG 3.23Å; L84-L88 WeakPolarHBondContact O-CG 3.35Å; L84-L88 PolarHBondContact O-N 2.94Å
85N94.9Very high93.1Very high106 Ų10667.2 Ų67.257%0.56735%0.351SS*.Hα-helixtrans-60.3-37.317665.1-36.9000112.5G82 E83 A89G82-N85 PolarHBondContact O-OD1 3.08Å; E83-N85 PolarHBondContact O-N 3.44Å; N85-A89 VanDerWaalsContact O-CB 3.29Å; N85-A89 WeakPolarHBondContact O-CB 3.48Å; N85-A89 PolarHBondContact O-N 2.91Å
86I95.6Very high91.2Very high104 Ų10469.2 Ų69.253%0.53336%0.356SS..Hα-helixtrans-68.2-45.9177.4-59.1174.6000109.7E83 L84 L88 A89 W90E83-I86 HydrophobicContact CB-CD1 4.22Å; E83-I86 HydrophobicContact CG-CD1 4.08Å; E83-I86 WeakPolarHBondContact O-CB 3.48Å; E83-I86 PolarHBondContact O-N 3.21Å; L84-I86 VanDerWaalsContact C-N 3.28Å; L84-I86 PolarHBondContact O-N 2.99Å; I86-L88 PolarHBondContact O-N 3.13Å; I86-A89 PolarHBondContact O-N 3.43Å; I86-W90 WeakPolarHBondContact O-CB 3.43Å; I86-W90 PolarHBondContact O-N 2.9Å
87L93.7Very high88.7Confident11 Ų1178.2 Ų78.26%0.05840%0.398CS..Hα-helixtrans-59.1-48.8176.1173.764000111.1L5 Y9 F35 E83 L84 A89 W90 I91L5-L87 HydrophobicContact CB-CD1 3.93Å; L5-L87 HydrophobicContact CD1-CD1 3.72Å; L5-L87 HydrophobicContact CG-CD1 4.44Å; Y9-L87 HydrophobicContact CD2-CD2 3.65Å; Y9-L87 HydrophobicContact CE1-CD2 4.46Å; Y9-L87 HydrophobicContact CE2-CB 4.41Å; Y9-L87 HydrophobicContact CE2-CD2 3.47Å; Y9-L87 VanDerWaalsContact CE2-CD2 3.47Å; Y9-L87 HydrophobicContact CE2-CG 4.4Å; Y9-L87 HydrophobicContact CG-CD2 4.23Å; F35-L87 HydrophobicContact CE2-CD2 3.55Å; F35-L87 HydrophobicContact CZ-CD2 3.57Å; E83-L87 PolarHBondContact O-N 2.85Å; L84-L87 PolarHBondContact O-N 3.3Å; L87-A89 PolarHBondContact O-N 2.94Å; L87-W90 PolarHBondContact O-N 2.87Å; L87-W90 VanDerWaalsContact O-N 3.16Å; L87-I91 HydrophobicContact CD1-CD1 3.98Å; L87-I91 HydrophobicContact CD1-CG1 4.15Å; L87-I91 HydrophobicContact CG-CD1 4.01Å; L87-I91 HydrophobicContact CG-CG1 4.49Å; L87-I91 WeakPolarHBondContact O-CG1 3.41Å; L87-I91 PolarHBondContact O-N 3.45Å
88L92.6Very high86.1Confident93 Ų9383.5 Ų83.549%0.48743%0.43SS..Hα-helixtrans-61.9-44.6-179-68.9173.7000111.2F35 L84 I86 W90 I91 D92F35-L88 HydrophobicContact CE1-CD2 4.35Å; L84-L88 WeakPolarHBondContact O-CB 3.47Å; L84-L88 VanDerWaalsContact O-CG 3.23Å; L84-L88 WeakPolarHBondContact O-CG 3.35Å; L84-L88 PolarHBondContact O-N 2.94Å; I86-L88 PolarHBondContact O-N 3.13Å; L88-W90 VanDerWaalsContact C-N 3.29Å; L88-W90 PolarHBondContact O-N 3.28Å; L88-I91 PolarHBondContact O-N 3.23Å; L88-D92 VanDerWaalsContact O-CB 3.3Å; L88-D92 WeakPolarHBondContact O-CB 2.98Å; L88-D92 PolarHBondContact O-N 3.07Å
89A94.3Very high83.4Confident44 Ų4484 Ų8436%0.36444%0.44SS..Hα-helixtrans-62.5-35.2175.100000112.7N85 I86 L87 R93N85-A89 VanDerWaalsContact O-CB 3.29Å; N85-A89 WeakPolarHBondContact O-CB 3.48Å; N85-A89 PolarHBondContact O-N 2.91Å; I86-A89 PolarHBondContact O-N 3.43Å; L87-A89 PolarHBondContact O-N 2.94Å; A89-R93 VanDerWaalsContact O-CG 3.25Å; A89-R93 WeakPolarHBondContact O-CG 3.49Å; A89-R93 PolarHBondContact O-N 2.01Å; A89-R93 VanDerWaalsContact O-N 3.16Å
90W92.2Very high80.5Confident74 Ų7483.5 Ų83.528%0.2846%0.456SS..Hα-helixtrans-68.9-43.8174.6-17989.1000111.6M1 T2 L5 I86 L87 L88 D92 R93 N94M1-W90 HydrophobicContact CB-CH2 3.98Å; M1-W90 HydrophobicContact CB-CZ2 4.4Å; M1-W90 HydrophobicContact CE-CZ2 4.36Å; M1-W90 HydrophobicContact CG-CH2 3.98Å; M1-W90 HydrophobicContact CG-CZ2 4.17Å; M1-W90 HydrophobicContact SD-CH2 4.22Å; M1-W90 HydrophobicContact SD-CZ2 3.79Å; T2-W90 HydrophobicContact CG2-CZ3 4.42Å; T2-W90 WeakPolarHBondContact OG1-CZ3 3.42Å; L5-W90 HydrophobicContact CD1-CE3 4.02Å; L5-W90 HydrophobicContact CD1-CH2 4.42Å; L5-W90 HydrophobicContact CD1-CZ3 3.93Å; I86-W90 WeakPolarHBondContact O-CB 3.43Å; I86-W90 PolarHBondContact O-N 2.9Å; L87-W90 PolarHBondContact O-N 2.87Å; L87-W90 VanDerWaalsContact O-N 3.16Å; L88-W90 VanDerWaalsContact C-N 3.29Å; L88-W90 PolarHBondContact O-N 3.28Å; W90-D92 VanDerWaalsContact C-N 3.35Å; W90-R93 PolarHBondContact O-N 3.25Å; W90-N94 PolarHBondContact NE1-ND2 2.86Å; W90-N94 WeakPolarHBondContact O-CB 3.49Å; W90-N94 PolarHBondContact O-N 3.39Å; W90-N94 PolarHBondContact O-ND2 2.96Å
91I89.6Confident77.5Confident31 Ų3191.4 Ų91.416%0.15952%0.522CS..Hα-helixtrans-61-47.5176-67.6175000109.8T2 L6 L87 L88 R93 N94 H95T2-I91 HydrophobicContact CG2-CD1 4.14Å; T2-I91 HydrophobicContact CG2-CG1 4.1Å; L6-I91 HydrophobicContact CD2-CD1 4.22Å; L87-I91 HydrophobicContact CD1-CD1 3.98Å; L87-I91 HydrophobicContact CD1-CG1 4.15Å; L87-I91 HydrophobicContact CG-CD1 4.01Å; L87-I91 HydrophobicContact CG-CG1 4.49Å; L87-I91 WeakPolarHBondContact O-CG1 3.41Å; L87-I91 PolarHBondContact O-N 3.45Å; L88-I91 PolarHBondContact O-N 3.23Å; I91-R93 PolarHBondContact O-N 3.28Å; I91-N94 CarbonylContact O-C 3.58Å; I91-N94 PolarHBondContact O-N 3.09Å; I91-N94 VanDerWaalsContact O-N 3.09Å; I91-H95 HydrophobicContact CG2-CB 4.28Å; I91-H95 VanDerWaalsContact O-CB 3.31Å; I91-H95 WeakPolarHBondContact O-CB 3.25Å; I91-H95 PolarHBondContact O-CD2 3.2Å; I91-H95 VanDerWaalsContact O-CD2 3.27Å; I91-H95 PolarHBondContact O-N 2.84Å
92D89.1Confident76.6Confident90 Ų9094.8 Ų94.848%0.48154%0.542SS..Hα-helixtrans-52.7-52.7179.2-166.369.5000111.7L88 W90 N94 H95 L96L88-D92 VanDerWaalsContact O-CB 3.3Å; L88-D92 WeakPolarHBondContact O-CB 2.98Å; L88-D92 PolarHBondContact O-N 3.07Å; W90-D92 VanDerWaalsContact C-N 3.35Å; D92-N94 VanDerWaalsContact C-N 3.25Å; D92-N94 PolarHBondContact O-N 3.22Å; D92-H95 PolarHBondContact O-N 2.94Å; D92-L96 VanDerWaalsContact O-CB 3.29Å; D92-L96 WeakPolarHBondContact O-CB 3.42Å; D92-L96 PolarHBondContact O-N 3.05Å; D92-L96 WeakPolarHBondContact OD1-CD1 3Å
93R90.4Very high75.6Confident207 Ų20796.7 Ų96.778%0.78154%0.539SS*.Hα-helixtrans-62.8-26.3179-71174.7-171.9-159.82.7114.8A89 W90 I91A89-R93 VanDerWaalsContact O-CG 3.25Å; A89-R93 WeakPolarHBondContact O-CG 3.49Å; A89-R93 PolarHBondContact O-N 2.01Å; A89-R93 VanDerWaalsContact O-N 3.16Å; W90-R93 PolarHBondContact O-N 3.25Å; I91-R93 PolarHBondContact O-N 3.28Å
94N82.1Confident74.3Confident92 Ų9298.3 Ų98.349%0.49255%0.552SS.*Hα-helixtrans-108.5-7.9-172.7-69.7-89.1000113.4W90 I91 D92W90-N94 PolarHBondContact NE1-ND2 2.86Å; W90-N94 WeakPolarHBondContact O-CB 3.49Å; W90-N94 PolarHBondContact O-N 3.39Å; W90-N94 PolarHBondContact O-ND2 2.96Å; I91-N94 CarbonylContact O-C 3.58Å; I91-N94 PolarHBondContact O-N 3.09Å; I91-N94 VanDerWaalsContact O-N 3.09Å; D92-N94 VanDerWaalsContact C-N 3.25Å; D92-N94 PolarHBondContact O-N 3.22Å
95H73.4Confident73.1Confident93 Ų93102.8 Ų102.843%0.43158%0.577SS.*Hα-helixtrans-125.5-13.4-178.5-67.5-87.3000113.3T2 I91 D92 E97T2-H95 PolarHBondContact OG1-CE1 3.25Å; T2-H95 PolarHBondContact OG1-NE2 3.48Å; I91-H95 HydrophobicContact CG2-CB 4.28Å; I91-H95 VanDerWaalsContact O-CB 3.31Å; I91-H95 WeakPolarHBondContact O-CB 3.25Å; I91-H95 PolarHBondContact O-CD2 3.2Å; I91-H95 VanDerWaalsContact O-CD2 3.27Å; I91-H95 PolarHBondContact O-N 2.84Å; D92-H95 PolarHBondContact O-N 2.94Å; H95-E97 PolarHBondContact O-N 2.97Å
96L55.2Low71.8Confident107 Ų107102.6 Ų102.656%0.5658%0.578SS**  trans-93.367.8167-63.5-174.4000111.5D92D92-L96 VanDerWaalsContact O-CB 3.29Å; D92-L96 WeakPolarHBondContact O-CB 3.42Å; D92-L96 PolarHBondContact O-N 3.05Å; D92-L96 WeakPolarHBondContact OD1-CD1 3Å
97E46Very low70.2Confident189 Ų189102.5 Ų102.588%0.88358%0.581SS**  trans-102.386.4137.4-76.6-154.4167.500106.8H95H95-E97 PolarHBondContact O-N 2.97Å
98T42.2Very low68.5Low112 Ų112109 Ų10969%0.68762%0.618SS**PPolyproline II helixtrans-83.8126154.5-40.90000105.4A100T98-A100 PolarHBondContact O-N 3.27Å
99P41.1Very low66.6Low117 Ų117110.2 Ų110.276%0.7663%0.628SS**PPolyproline II helixtrans-56118.9167.9-14.927.3000106.8
100A35.7Very low64.3Low100 Ų100115.8 Ų115.883%0.82665%0.65SS**PPolyproline II helixtrans-56.3142.3164.800000108.3T98T98-A100 PolarHBondContact O-N 3.27Å
101A35Very low61.8Low177 Ų177119.5 Ų119.5100%1.46368%0.684SS**  trans-40.90-175.500000116

Retrieved 101 of 101 residues in 95.3 ms (Link to these results)

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