MNHC2_STAAM Loading...

Putative antiporter subunit mnhC2

AlphaFold DB (Q2G213), UniProt , Accession Q99VZ0, Species STAAM (Staphylococcus aureus (strain Mu50 / ATCC 700699)), Gene mnhC2, Length 114 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
1M64.3Low90.6Very high190 Ų19095.5 Ų95.594%0.93651%0.508SS*.  0114.60-174.9134.364.600108.2L6M1-L6 HydrophobicContact CG-CD1 3.9Å; M1-L6 HydrophobicContact CG-CG 4.4Å; M1-L6 HydrophobicContact SD-CD1 4.25Å
2N83.3Confident91.1Very high109 Ų10990.8 Ų90.858%0.58348%0.482SS*.  trans-86.9112.3-172.5-66.4-26.1000109.6I4 L5 L6N2-I4 PolarHBondContact O-N 3.04Å; N2-I4 VanDerWaalsContact O-N 3.17Å; N2-L5 HydrophobicContact CB-CB 4.03Å; N2-L5 WeakPolarHBondContact O-CB 3.34Å; N2-L5 PolarHBondContact O-N 3.25Å; N2-L6 PolarHBondContact O-N 2.92Å
3L89.4Confident91.6Very high126 Ų12687.3 Ų87.366%0.6647%0.467SS*.Hα-helixtrans-52.9-38.2179.1-178.765.9000112.1L5 L6 L7L3-L5 VanDerWaalsContact C-N 3.31Å; L3-L5 PolarHBondContact O-N 3.17Å; L3-L6 PolarHBondContact O-N 2.87Å; L3-L7 HydrophobicContact CG-CD1 4.44Å; L3-L7 WeakPolarHBondContact O-CG 3.45Å; L3-L7 PolarHBondContact O-N 3.01Å
4I92.6Very high92Very high133 Ų13390.7 Ų90.768%0.68248%0.476SS*.Hα-helixtrans-58.1-43.6176.1-62.3162.7000111N2 L6 L7 V8N2-I4 PolarHBondContact O-N 3.04Å; N2-I4 VanDerWaalsContact O-N 3.17Å; I4-L6 PolarHBondContact O-N 3.47Å; I4-L7 PolarHBondContact O-N 3.03Å; I4-V8 VanDerWaalsContact O-CG2 3.3Å; I4-V8 WeakPolarHBondContact O-CG2 3.49Å; I4-V8 PolarHBondContact O-N 3.14Å
5L92Very high92.4Very high49 Ų4987.9 Ų87.926%0.25746%0.46SS..Hα-helixtrans-64.4-41.9178.9-179.263.4000111.2N2 L3 V8 I9 L41N2-L5 HydrophobicContact CB-CB 4.03Å; N2-L5 WeakPolarHBondContact O-CB 3.34Å; N2-L5 PolarHBondContact O-N 3.25Å; L3-L5 VanDerWaalsContact C-N 3.31Å; L3-L5 PolarHBondContact O-N 3.17Å; L5-V8 PolarHBondContact O-N 3.41Å; L5-I9 HydrophobicContact CD1-CD1 4.35Å; L5-I9 HydrophobicContact CG-CD1 4.01Å; L5-I9 VanDerWaalsContact O-CG1 3.29Å; L5-I9 WeakPolarHBondContact O-CG1 3.45Å; L5-I9 PolarHBondContact O-N 3.11Å; L5-L41 HydrophobicContact CD1-CD2 4.43Å
6L93.1Very high92.6Very high76 Ų7682.4 Ų82.440%0.39843%0.432SS..Hα-helixtrans-63.3-41.3177-68.5175.2000111.9M1 N2 L3 I4 I9 G10M1-L6 HydrophobicContact CG-CD1 3.9Å; M1-L6 HydrophobicContact CG-CG 4.4Å; M1-L6 HydrophobicContact SD-CD1 4.25Å; N2-L6 PolarHBondContact O-N 2.92Å; L3-L6 PolarHBondContact O-N 2.87Å; I4-L6 PolarHBondContact O-N 3.47Å; L6-I9 PolarHBondContact O-N 3.26Å; L6-G10 PolarHBondContact O-N 2.94Å
7L95.9Very high92.9Very high118 Ų11880.6 Ų80.662%0.61843%0.425SS*.Hα-helixtrans-63.7-42.1175.4-71.5174.4000112L3 I4 G10 F11L3-L7 HydrophobicContact CG-CD1 4.44Å; L3-L7 WeakPolarHBondContact O-CG 3.45Å; L3-L7 PolarHBondContact O-N 3.01Å; I4-L7 PolarHBondContact O-N 3.03Å; L7-G10 PolarHBondContact O-N 2.71Å; L7-F11 WeakPolarHBondContact O-CB 3.33Å; L7-F11 PolarHBondContact O-N 3.44Å
8V95.9Very high93.1Very high67 Ų6784.4 Ų84.441%0.40643%0.434SS..Hα-helixtrans-62.2-45176170.70000111I4 L5 F11 L12 L41I4-V8 VanDerWaalsContact O-CG2 3.3Å; I4-V8 WeakPolarHBondContact O-CG2 3.49Å; I4-V8 PolarHBondContact O-N 3.14Å; L5-V8 PolarHBondContact O-N 3.41Å; V8-F11 PolarHBondContact O-N 2.67Å; V8-L12 HydrophobicContact CG1-CD1 4.1Å; V8-L12 HydrophobicContact CG1-CG 4.49Å; V8-L12 WeakPolarHBondContact O-CG 3.03Å; V8-L12 PolarHBondContact O-N 2.94Å; V8-L41 HydrophobicContact CG1-CD1 4.48Å
9I96.4Very high93.2Very high13 Ų1381.6 Ų81.67%0.06742%0.419CS..Hα-helixtrans-59.6-49.1176.1-70.4165.6000110.5L5 L6 F11 L12 V13 L41 I42L5-I9 HydrophobicContact CD1-CD1 4.35Å; L5-I9 HydrophobicContact CG-CD1 4.01Å; L5-I9 VanDerWaalsContact O-CG1 3.29Å; L5-I9 WeakPolarHBondContact O-CG1 3.45Å; L5-I9 PolarHBondContact O-N 3.11Å; L6-I9 PolarHBondContact O-N 3.26Å; I9-F11 VanDerWaalsContact C-N 3.28Å; I9-F11 PolarHBondContact O-N 2.92Å; I9-L12 PolarHBondContact O-N 3.36Å; I9-V13 HydrophobicContact CG2-CG2 4.47Å; I9-V13 WeakPolarHBondContact O-CG2 3.37Å; I9-V13 PolarHBondContact O-N 3.36Å; I9-L41 HydrophobicContact CD1-CB 4.04Å; I9-L41 HydrophobicContact CG1-CB 3.72Å; I9-L41 HydrophobicContact CG1-CD1 4.44Å; I9-I42 HydrophobicContact CD1-CG1 4.25Å; I9-I42 HydrophobicContact CG2-CD1 3.88Å; I9-I42 HydrophobicContact CG2-CG1 3.43Å; I9-I42 VanDerWaalsContact CG2-CG1 3.43Å
10G96.5Very high93.3Very high40 Ų4080.7 Ų80.741%0.41241%0.414SS..Hα-helixtrans-58.5-40.6178.400000112.5L6 L7 V13 F14L6-G10 PolarHBondContact O-N 2.94Å; L7-G10 PolarHBondContact O-N 2.71Å; G10-V13 PolarHBondContact O-N 3.4Å; G10-F14 WeakPolarHBondContact O-CB 3.37Å; G10-F14 PolarHBondContact O-N 3.22Å
11F97.2Very high93.4Very high129 Ų12983.3 Ų83.357%0.56643%0.428SS*.Hα-helixtrans-66.7-40.2176.2-170.9-112.1000112.8L7 V8 I9 F14 I15L7-F11 WeakPolarHBondContact O-CB 3.33Å; L7-F11 PolarHBondContact O-N 3.44Å; V8-F11 PolarHBondContact O-N 2.67Å; I9-F11 VanDerWaalsContact C-N 3.28Å; I9-F11 PolarHBondContact O-N 2.92Å; F11-F14 WeakPolarHBondContact O-CB 3.37Å; F11-F14 PolarHBondContact O-N 3.32Å; F11-I15 HydrophobicContact CD1-CD1 3.55Å; F11-I15 HydrophobicContact CD1-CG1 4.43Å; F11-I15 HydrophobicContact CE1-CD1 3.18Å; F11-I15 HydrophobicContact CE1-CG1 4.18Å; F11-I15 HydrophobicContact CE2-CD1 4.33Å; F11-I15 HydrophobicContact CG-CD1 4.29Å; F11-I15 HydrophobicContact CZ-CD1 3.62Å; F11-I15 HydrophobicContact CZ-CG1 4.22Å; F11-I15 WeakPolarHBondContact O-CG1 3.35Å; F11-I15 PolarHBondContact O-N 2.9Å
12L97.1Very high94.7Very high39 Ų3975.3 Ų75.320%0.20439%0.391CS..Hα-helixtrans-64.9-41.5174.7-71.1170000111.9V8 I9 F14 I15 G16 I34 A38 L41V8-L12 HydrophobicContact CG1-CD1 4.1Å; V8-L12 HydrophobicContact CG1-CG 4.49Å; V8-L12 WeakPolarHBondContact O-CG 3.03Å; V8-L12 PolarHBondContact O-N 2.94Å; I9-L12 PolarHBondContact O-N 3.36Å; L12-F14 VanDerWaalsContact C-N 3.33Å; L12-I15 PolarHBondContact O-N 2.94Å; L12-G16 PolarHBondContact O-N 2.99Å; L12-I34 HydrophobicContact CB-CG2 4.25Å; L12-I34 HydrophobicContact CD2-CG2 4.02Å; L12-I34 VanDerWaalsContact O-CG2 3.31Å; L12-I34 WeakPolarHBondContact O-CG2 3.5Å; L12-A38 HydrophobicContact CB-CB 3.88Å; L12-L41 HydrophobicContact CD1-CD1 3.57Å
13V97.4Very high95.1Very high46 Ų4673.9 Ų73.928%0.27938%0.383SS..Hα-helixtrans-63.3-41.3174.4174.20000110.7I9 G10 G16 T17 Y35 A38I9-V13 HydrophobicContact CG2-CG2 4.47Å; I9-V13 WeakPolarHBondContact O-CG2 3.37Å; I9-V13 PolarHBondContact O-N 3.36Å; G10-V13 PolarHBondContact O-N 3.4Å; V13-G16 PolarHBondContact O-N 3.5Å; V13-T17 WeakPolarHBondContact O-CB 3.41Å; V13-T17 PolarHBondContact O-N 3.47Å; V13-T17 PolarHBondContact O-OG1 2.9Å; V13-Y35 HydrophobicContact CG1-CE1 4.11Å; V13-A38 HydrophobicContact CG2-CB 3.86Å
14F97.4Very high95.3Very high135 Ų13569.7 Ų69.759%0.59236%0.361SS*.Hα-helixtrans-60.3-50.5175.2176.3-98.3000112G10 F11 L12 T17 Y18G10-F14 WeakPolarHBondContact O-CB 3.37Å; G10-F14 PolarHBondContact O-N 3.22Å; F11-F14 WeakPolarHBondContact O-CB 3.37Å; F11-F14 PolarHBondContact O-N 3.32Å; L12-F14 VanDerWaalsContact C-N 3.33Å; F14-T17 PolarHBondContact O-N 3.38Å; F14-Y18 WeakPolarHBondContact O-CB 3.3Å; F14-Y18 PolarHBondContact O-N 3.44Å
15I97Very high95.4Very high48 Ų4864.3 Ų64.325%0.24633%0.334CS..Hα-helixtrans-62.4-46.1177.4-67.1167.3000110.9F11 L12 T17 Y18 M19 I34F11-I15 HydrophobicContact CD1-CD1 3.55Å; F11-I15 HydrophobicContact CD1-CG1 4.43Å; F11-I15 HydrophobicContact CE1-CD1 3.18Å; F11-I15 HydrophobicContact CE1-CG1 4.18Å; F11-I15 HydrophobicContact CE2-CD1 4.33Å; F11-I15 HydrophobicContact CG-CD1 4.29Å; F11-I15 HydrophobicContact CZ-CD1 3.62Å; F11-I15 HydrophobicContact CZ-CG1 4.22Å; F11-I15 WeakPolarHBondContact O-CG1 3.35Å; F11-I15 PolarHBondContact O-N 2.9Å; L12-I15 PolarHBondContact O-N 2.94Å; I15-T17 VanDerWaalsContact C-N 3.29Å; I15-T17 PolarHBondContact O-N 2.85Å; I15-Y18 PolarHBondContact O-N 3.04Å; I15-M19 HydrophobicContact CG2-CG 4.18Å; I15-M19 HydrophobicContact CG2-SD 3.9Å; I15-M19 WeakPolarHBondContact O-CB 3.47Å; I15-M19 WeakPolarHBondContact O-CG 3.09Å; I15-M19 PolarHBondContact O-N 2.93Å; I15-I34 HydrophobicContact CG2-CD1 3.67Å
16G96.7Very high95.5Very high0 Ų065.7 Ų65.70%034%0.34CS..Hα-helixtrans-57-45.1178.400000111.2L12 V13 M19 I20L12-G16 PolarHBondContact O-N 2.99Å; V13-G16 PolarHBondContact O-N 3.5Å; G16-M19 PolarHBondContact O-N 3.34Å; G16-I20 WeakPolarHBondContact O-CG1 3.29Å; G16-I20 PolarHBondContact O-N 2.86Å
17T97.3Very high95.6Very high52 Ų5267 Ų6732%0.31934%0.34SS..Hα-helixtrans-60.9-52.3176.7-53.10000110.5V13 F14 I15 M19 I20 L21 Y35V13-T17 WeakPolarHBondContact O-CB 3.41Å; V13-T17 PolarHBondContact O-N 3.47Å; V13-T17 PolarHBondContact O-OG1 2.9Å; F14-T17 PolarHBondContact O-N 3.38Å; I15-T17 VanDerWaalsContact C-N 3.29Å; I15-T17 PolarHBondContact O-N 2.85Å; T17-M19 PolarHBondContact O-N 2.73Å; T17-I20 PolarHBondContact O-N 3.22Å; T17-L21 HydrophobicContact CG2-CD1 3.63Å; T17-L21 WeakPolarHBondContact O-CD1 3.21Å; T17-L21 PolarHBondContact O-N 3.47Å; T17-Y35 PolarHBondContact OG1-OH 2.64Å
18Y96.7Very high95.6Very high150 Ų15062.7 Ų62.759%0.58832%0.317SS*.Hα-helixtrans-56.6-39.4179.5-180-100.2000112.6F14 I15F14-Y18 WeakPolarHBondContact O-CB 3.3Å; F14-Y18 PolarHBondContact O-N 3.44Å; I15-Y18 PolarHBondContact O-N 3.04Å
19M95.1Very high95.6Very high31 Ų3159.7 Ų59.715%0.15330%0.299CS..Hα-helixtrans-75-34.9179.3-71.9-17088.100113.4I15 G16 T17 L21 S22 R27 I30 I34I15-M19 HydrophobicContact CG2-CG 4.18Å; I15-M19 HydrophobicContact CG2-SD 3.9Å; I15-M19 WeakPolarHBondContact O-CB 3.47Å; I15-M19 WeakPolarHBondContact O-CG 3.09Å; I15-M19 PolarHBondContact O-N 2.93Å; G16-M19 PolarHBondContact O-N 3.34Å; T17-M19 PolarHBondContact O-N 2.73Å; M19-L21 VanDerWaalsContact C-N 3.34Å; M19-S22 WeakPolarHBondContact O-CB 3.19Å; M19-S22 PolarHBondContact O-N 3.46Å; M19-R27 HydrophobicContact CB-CG 3.96Å; M19-R27 HydrophobicContact CE-CB 4.47Å; M19-R27 HydrophobicContact CE-CG 3.35Å; M19-R27 HydrophobicContact CG-CG 3.95Å; M19-R27 CarbonylContact O-C 3.59Å; M19-I30 HydrophobicContact CE-CB 3.69Å; M19-I30 HydrophobicContact CE-CD1 4.32Å; M19-I30 HydrophobicContact CE-CG2 3.43Å; M19-I30 VanDerWaalsContact CE-CG2 3.43Å; M19-I30 HydrophobicContact SD-CB 4.47Å; M19-I30 HydrophobicContact SD-CG2 3.85Å; M19-I34 HydrophobicContact SD-CD1 3.52Å; M19-I34 VanDerWaalsContact SD-CD1 3.52Å
20I94.9Very high95.6Very high62 Ų6262.7 Ų62.732%0.31832%0.315SS..Hα-helixtrans-68.7-33.6175.6-71.9-179.1000111.6G16 T17 S22 I32 Y35G16-I20 WeakPolarHBondContact O-CG1 3.29Å; G16-I20 PolarHBondContact O-N 2.86Å; T17-I20 PolarHBondContact O-N 3.22Å; I20-S22 PolarHBondContact O-N 3.13Å; I20-I32 HydrophobicContact CD1-CG1 3.83Å; I20-I32 HydrophobicContact CG1-CG1 4.14Å; I20-Y35 HydrophobicContact CD1-CD2 3.39Å; I20-Y35 HydrophobicContact CD1-CE2 3.56Å; I20-Y35 HydrophobicContact CD1-CG 4.43Å; I20-Y35 HydrophobicContact CG1-CD2 4.31Å; I20-Y35 HydrophobicContact CG1-CE2 4.4Å
21L94.8Very high95.6Very high136 Ų13660.8 Ų60.871%0.71230%0.295SS*.THydrogen-bonded Turntrans-76.95.1175.5-82.288.4000113.8T17 M19T17-L21 HydrophobicContact CG2-CD1 3.63Å; T17-L21 WeakPolarHBondContact O-CD1 3.21Å; T17-L21 PolarHBondContact O-N 3.47Å; M19-L21 VanDerWaalsContact C-N 3.34Å
22S92.1Very high95.5Very high22 Ų2257.3 Ų57.315%0.15428%0.281CS..SBendtrans-78.6151176.6-177.60000112M19 I20 N24 R27 I28M19-S22 WeakPolarHBondContact O-CB 3.19Å; M19-S22 PolarHBondContact O-N 3.46Å; I20-S22 PolarHBondContact O-N 3.13Å; S22-N24 PolarHBondContact OG-N 3.4Å; S22-R27 VanDerWaalsContact CB-CD 3.49Å; S22-R27 VanDerWaalsContact OG-CD 3.3Å; S22-R27 WeakPolarHBondContact OG-CD 3.43Å; S22-I28 WeakPolarHBondContact O-CD1 3.14Å; S22-I28 WeakPolarHBondContact O-CG1 3.25Å
23I91.9Very high95.5Very high79 Ų7956.6 Ų56.641%0.40528%0.28SS..SBendtrans-73.2-35177-54.7175.3000111.1L25 E103 I104 E105I23-L25 PolarHBondContact O-N 3.21Å; I23-E103 HydrophobicContact CG2-CB 3.75Å; I23-E103 HydrophobicContact CG2-CG 4.01Å; I23-I104 PolarHBondContact O-N 2.81Å; I23-E105 HydrophobicContact CG2-CB 4.09Å
24N93.6Very high95.5Very high38 Ų3855.9 Ų55.920%0.20327%0.274CS..BIsolated β-bridgetrans-72.2126.6-178.3-172.7-69.2000113.2S22 I26 R27 I28 D102S22-N24 PolarHBondContact OG-N 3.4Å; N24-I26 PolarHBondContact O-N 3.14Å; N24-I26 WeakPolarHBondContact OD1-CG2 3.43Å; N24-I26 PolarHBondContact OD1-N 2.97Å; N24-R27 HydrophobicContact CB-CB 4.36Å; N24-R27 WeakPolarHBondContact O-CB 3.08Å; N24-R27 PolarHBondContact O-N 2.97Å; N24-R27 VanDerWaalsContact O-N 3.14Å; N24-I28 PolarHBondContact O-N 2.93Å; N24-D102 PolarHBondContact ND2-OD2 3.42Å
25L93.7Very high95.4Very high21 Ų2153.4 Ų53.411%0.1126%0.261CS..Hα-helixtrans-57.2-42.5-177.7-71.7175.1000113.9I23 R27 I28 V29 V92 T95 D102 I104 L107I23-L25 PolarHBondContact O-N 3.21Å; L25-R27 PolarHBondContact O-N 3.43Å; L25-I28 WeakPolarHBondContact O-CB 3.45Å; L25-I28 PolarHBondContact O-N 3.18Å; L25-V29 PolarHBondContact O-N 2.91Å; L25-V29 VanDerWaalsContact O-N 3.17Å; L25-V92 HydrophobicContact CB-CG1 3.83Å; L25-V92 HydrophobicContact CB-CG2 4.03Å; L25-V92 HydrophobicContact CD1-CG1 4.15Å; L25-V92 HydrophobicContact CD1-CG2 4.48Å; L25-T95 HydrophobicContact CD1-CG2 4.35Å; L25-D102 WeakPolarHBondContact CB-O 3.31Å; L25-D102 WeakPolarHBondContact CG-O 3.43Å; L25-D102 PolarHBondContact N-O 2.85Å; L25-I104 HydrophobicContact CD2-CD1 4.15Å; L25-I104 HydrophobicContact CD2-CG1 3.54Å; L25-I104 HydrophobicContact CG-CG1 4.3Å; L25-L107 HydrophobicContact CD1-CD1 4.12Å; L25-L107 HydrophobicContact CD2-CD1 4.29Å
26I94.8Very high95.3Very high77 Ų7753 Ų5340%0.39526%0.261SS..Hα-helixtrans-67.2-33.2-178.1-164.863.1000110.6N24 I28 V29 I30 L89N24-I26 PolarHBondContact O-N 3.14Å; N24-I26 WeakPolarHBondContact OD1-CG2 3.43Å; N24-I26 PolarHBondContact OD1-N 2.97Å; I26-I28 VanDerWaalsContact C-N 3.29Å; I26-I28 PolarHBondContact O-N 3.35Å; I26-V29 PolarHBondContact O-N 2.92Å; I26-I30 HydrophobicContact CG1-CD1 4.26Å; I26-I30 VanDerWaalsContact O-CG1 3.32Å; I26-I30 WeakPolarHBondContact O-CG1 3.42Å; I26-I30 PolarHBondContact O-N 3.01Å; I26-L89 HydrophobicContact CD1-CD2 3.69Å
27R95.3Very high95.3Very high105 Ų10558.4 Ų58.440%0.39629%0.286SS..Hα-helixtrans-64.9-37.7177.6-158179.2-67.9-176.4-6.4110.9M19 S22 N24 L25 I30 G31M19-R27 HydrophobicContact CB-CG 3.96Å; M19-R27 HydrophobicContact CE-CB 4.47Å; M19-R27 HydrophobicContact CE-CG 3.35Å; M19-R27 HydrophobicContact CG-CG 3.95Å; M19-R27 CarbonylContact O-C 3.59Å; S22-R27 VanDerWaalsContact CB-CD 3.49Å; S22-R27 VanDerWaalsContact OG-CD 3.3Å; S22-R27 WeakPolarHBondContact OG-CD 3.43Å; N24-R27 HydrophobicContact CB-CB 4.36Å; N24-R27 WeakPolarHBondContact O-CB 3.08Å; N24-R27 PolarHBondContact O-N 2.97Å; N24-R27 VanDerWaalsContact O-N 3.14Å; L25-R27 PolarHBondContact O-N 3.43Å; R27-I30 PolarHBondContact O-N 3.41Å; R27-G31 PolarHBondContact O-N 3.04Å
28I95.6Very high95.3Very high26 Ų2656 Ų5613%0.13327%0.271CS..Hα-helixtrans-65.7-44.4176.8-58.8171.3000110.9S22 N24 L25 I26 I30 G31 I32 I104S22-I28 WeakPolarHBondContact O-CD1 3.14Å; S22-I28 WeakPolarHBondContact O-CG1 3.25Å; N24-I28 PolarHBondContact O-N 2.93Å; L25-I28 WeakPolarHBondContact O-CB 3.45Å; L25-I28 PolarHBondContact O-N 3.18Å; I26-I28 VanDerWaalsContact C-N 3.29Å; I26-I28 PolarHBondContact O-N 3.35Å; I28-I30 VanDerWaalsContact C-N 3.31Å; I28-I30 PolarHBondContact O-N 3.31Å; I28-G31 WeakPolarHBondContact O-CA 3.4Å; I28-G31 PolarHBondContact O-N 2.93Å; I28-G31 VanDerWaalsContact O-N 3.1Å; I28-I32 HydrophobicContact CG2-CD1 4.01Å; I28-I32 HydrophobicContact CG2-CG1 4.49Å; I28-I32 WeakPolarHBondContact O-CG1 3.43Å; I28-I32 PolarHBondContact O-N 2.97Å; I28-I104 HydrophobicContact CD1-CD1 3.08Å; I28-I104 HydrophobicContact CD1-CG1 3.9Å
29V96.4Very high95.3Very high5 Ų550.1 Ų50.13%0.0326%0.257CS..Hα-helixtrans-60.6-41.9176.8178.70000111.4L25 I26 I32 S33 T85 L88 L89 V92L25-V29 PolarHBondContact O-N 2.91Å; L25-V29 VanDerWaalsContact O-N 3.17Å; I26-V29 PolarHBondContact O-N 2.92Å; V29-I32 PolarHBondContact O-N 2.87Å; V29-S33 PolarHBondContact O-N 3.28Å; V29-S33 PolarHBondContact O-OG 3.3Å; V29-T85 HydrophobicContact CG1-CG2 4.24Å; V29-L88 HydrophobicContact CG1-CB 4.19Å; V29-L88 HydrophobicContact CG2-CB 4.06Å; V29-L89 HydrophobicContact CG1-CD2 3.91Å; V29-L89 HydrophobicContact CG1-CG 4.06Å; V29-V92 HydrophobicContact CG2-CG2 3.74Å
30I96.2Very high95.3Very high76 Ų7649.4 Ų49.439%0.3925%0.254SS..Hα-helixtrans-65.4-41.7174.7-63.1164.9000110.3M19 I26 R27 I28 I32 S33 I34M19-I30 HydrophobicContact CE-CB 3.69Å; M19-I30 HydrophobicContact CE-CD1 4.32Å; M19-I30 HydrophobicContact CE-CG2 3.43Å; M19-I30 VanDerWaalsContact CE-CG2 3.43Å; M19-I30 HydrophobicContact SD-CB 4.47Å; M19-I30 HydrophobicContact SD-CG2 3.85Å; I26-I30 HydrophobicContact CG1-CD1 4.26Å; I26-I30 VanDerWaalsContact O-CG1 3.32Å; I26-I30 WeakPolarHBondContact O-CG1 3.42Å; I26-I30 PolarHBondContact O-N 3.01Å; R27-I30 PolarHBondContact O-N 3.41Å; I28-I30 VanDerWaalsContact C-N 3.31Å; I28-I30 PolarHBondContact O-N 3.31Å; I30-I32 PolarHBondContact O-N 3.4Å; I30-S33 WeakPolarHBondContact O-CB 3.31Å; I30-S33 PolarHBondContact O-N 3.26Å; I30-S33 VanDerWaalsContact O-N 3.13Å; I30-I34 HydrophobicContact CG2-CD1 3.99Å; I30-I34 HydrophobicContact CG2-CG1 4.38Å; I30-I34 WeakPolarHBondContact O-CG1 3.47Å; I30-I34 PolarHBondContact O-N 3.36Å
31G96.4Very high95.3Very high0 Ų049.2 Ų49.20%025%0.253CS..Hα-helixtrans-58.3-46.2176.300000113R27 I28 S33 I34 Y35R27-G31 PolarHBondContact O-N 3.04Å; I28-G31 WeakPolarHBondContact O-CA 3.4Å; I28-G31 PolarHBondContact O-N 2.93Å; I28-G31 VanDerWaalsContact O-N 3.1Å; G31-S33 VanDerWaalsContact C-N 3.3Å; G31-S33 PolarHBondContact O-N 3.39Å; G31-I34 PolarHBondContact O-N 3.06Å; G31-Y35 WeakPolarHBondContact O-CD2 3.38Å; G31-Y35 PolarHBondContact O-N 3.37Å
32I96.1Very high95.3Very high55 Ų5545.9 Ų45.928%0.28224%0.235SC..Hα-helixtrans-61.6-39.5174.4-66.5166.9000111.1I20 I28 V29 I30 Y35 T36 L88I20-I32 HydrophobicContact CD1-CG1 3.83Å; I20-I32 HydrophobicContact CG1-CG1 4.14Å; I28-I32 HydrophobicContact CG2-CD1 4.01Å; I28-I32 HydrophobicContact CG2-CG1 4.49Å; I28-I32 WeakPolarHBondContact O-CG1 3.43Å; I28-I32 PolarHBondContact O-N 2.97Å; V29-I32 PolarHBondContact O-N 2.87Å; I30-I32 PolarHBondContact O-N 3.4Å; I32-Y35 WeakPolarHBondContact O-CB 3.42Å; I32-Y35 PolarHBondContact O-N 2.99Å; I32-T36 PolarHBondContact O-N 2.69Å; I32-T36 PolarHBondContact O-OG1 3.38Å; I32-L88 HydrophobicContact CD1-CD1 3.78Å; I32-L88 HydrophobicContact CG2-CD1 4.21Å
33S96.3Very high95.4Very high24 Ų2446.9 Ų46.917%0.16824%0.239CC..Hα-helixtrans-65.5-42.7177.2-56.70000111.6V29 I30 G31 Y35 T36 H37 T85V29-S33 PolarHBondContact O-N 3.28Å; V29-S33 PolarHBondContact O-OG 3.3Å; I30-S33 WeakPolarHBondContact O-CB 3.31Å; I30-S33 PolarHBondContact O-N 3.26Å; I30-S33 VanDerWaalsContact O-N 3.13Å; G31-S33 VanDerWaalsContact C-N 3.3Å; G31-S33 PolarHBondContact O-N 3.39Å; S33-Y35 VanDerWaalsContact C-N 3.32Å; S33-Y35 PolarHBondContact O-N 3.37Å; S33-T36 WeakPolarHBondContact O-CB 3.36Å; S33-T36 PolarHBondContact O-N 3.06Å; S33-H37 PolarHBondContact O-CD2 3.42Å; S33-H37 PolarHBondContact O-N 3.34Å; S33-H37 VanDerWaalsContact O-N 3.16Å; S33-T85 WeakPolarHBondContact OG-CG2 3.43Å; S33-T85 PolarHBondContact OG-OG1 3.38Å
34I96.6Very high95.4Very high31 Ų3144.9 Ų44.916%0.15923%0.228CC..Hα-helixtrans-61.8-41.6173.9-68.6171.7000110.9L12 I15 M19 I30 G31 T36 H37 A38L12-I34 HydrophobicContact CB-CG2 4.25Å; L12-I34 HydrophobicContact CD2-CG2 4.02Å; L12-I34 VanDerWaalsContact O-CG2 3.31Å; L12-I34 WeakPolarHBondContact O-CG2 3.5Å; I15-I34 HydrophobicContact CG2-CD1 3.67Å; M19-I34 HydrophobicContact SD-CD1 3.52Å; M19-I34 VanDerWaalsContact SD-CD1 3.52Å; I30-I34 HydrophobicContact CG2-CD1 3.99Å; I30-I34 HydrophobicContact CG2-CG1 4.38Å; I30-I34 WeakPolarHBondContact O-CG1 3.47Å; I30-I34 PolarHBondContact O-N 3.36Å; G31-I34 PolarHBondContact O-N 3.06Å; I34-T36 VanDerWaalsContact C-N 3.27Å; I34-T36 PolarHBondContact O-N 3.18Å; I34-H37 WeakPolarHBondContact O-CB 3.48Å; I34-H37 PolarHBondContact O-N 3.01Å; I34-H37 VanDerWaalsContact O-N 3.15Å; I34-A38 PolarHBondContact O-N 2.9Å
35Y95.5Very high95.3Very high83 Ų8344.3 Ų44.333%0.32523%0.227SC..Hα-helixtrans-59.1-38.8174.7-102.9-73.8000112.8V13 T17 I20 G31 I32 S33 H37 A38 G39V13-Y35 HydrophobicContact CG1-CE1 4.11Å; T17-Y35 PolarHBondContact OG1-OH 2.64Å; I20-Y35 HydrophobicContact CD1-CD2 3.39Å; I20-Y35 HydrophobicContact CD1-CE2 3.56Å; I20-Y35 HydrophobicContact CD1-CG 4.43Å; I20-Y35 HydrophobicContact CG1-CD2 4.31Å; I20-Y35 HydrophobicContact CG1-CE2 4.4Å; G31-Y35 WeakPolarHBondContact O-CD2 3.38Å; G31-Y35 PolarHBondContact O-N 3.37Å; I32-Y35 WeakPolarHBondContact O-CB 3.42Å; I32-Y35 PolarHBondContact O-N 2.99Å; S33-Y35 VanDerWaalsContact C-N 3.32Å; S33-Y35 PolarHBondContact O-N 3.37Å; Y35-H37 VanDerWaalsContact C-N 3.35Å; Y35-A38 PolarHBondContact O-N 3.36Å; Y35-G39 PolarHBondContact O-N 2.89Å
36T96.1Very high95.2Very high39 Ų3949.7 Ų49.724%0.23925%0.253CS..Hα-helixtrans-62.8-43.3175.5-58.10000110.7I32 S33 I34 G39 N40I32-T36 PolarHBondContact O-N 2.69Å; I32-T36 PolarHBondContact O-OG1 3.38Å; S33-T36 WeakPolarHBondContact O-CB 3.36Å; S33-T36 PolarHBondContact O-N 3.06Å; I34-T36 VanDerWaalsContact C-N 3.27Å; I34-T36 PolarHBondContact O-N 3.18Å; T36-G39 PolarHBondContact O-N 3.15Å; T36-N40 PolarHBondContact O-N 3.25Å; T36-N40 PolarHBondContact O-ND2 3.25Å
37H96.3Very high94.8Very high114 Ų11446.6 Ų46.653%0.52824%0.24SC..Hα-helixtrans-63.9-41.7174.2-66.3-61.5000112.6S33 I34 Y35 N40 L41S33-H37 PolarHBondContact O-CD2 3.42Å; S33-H37 PolarHBondContact O-N 3.34Å; S33-H37 VanDerWaalsContact O-N 3.16Å; I34-H37 WeakPolarHBondContact O-CB 3.48Å; I34-H37 PolarHBondContact O-N 3.01Å; I34-H37 VanDerWaalsContact O-N 3.15Å; Y35-H37 VanDerWaalsContact C-N 3.35Å; H37-N40 PolarHBondContact O-N 2.96Å; H37-L41 WeakPolarHBondContact O-CG 3.49Å; H37-L41 PolarHBondContact O-N 2.83Å
38A96.6Very high94.3Very high1 Ų145.4 Ų45.41%0.00825%0.245CC..Hα-helixtrans-61-45.9175.400000111.6L12 V13 I34 Y35 N40 L41 I42L12-A38 HydrophobicContact CB-CB 3.88Å; V13-A38 HydrophobicContact CG2-CB 3.86Å; I34-A38 PolarHBondContact O-N 2.9Å; Y35-A38 PolarHBondContact O-N 3.36Å; A38-N40 PolarHBondContact O-N 2.96Å; A38-L41 PolarHBondContact O-N 3.37Å; A38-I42 VanDerWaalsContact O-CG1 3.31Å; A38-I42 WeakPolarHBondContact O-CG1 3.4Å; A38-I42 PolarHBondContact O-N 3.46Å
39G96.1Very high93.7Very high28 Ų2849.2 Ų49.229%0.28926%0.258SS..Hα-helixtrans-59.1-44.7175.800000112.6Y35 T36 L41 I42 I43Y35-G39 PolarHBondContact O-N 2.89Å; T36-G39 PolarHBondContact O-N 3.15Å; G39-L41 VanDerWaalsContact C-N 3.33Å; G39-L41 PolarHBondContact O-N 2.88Å; G39-I42 WeakPolarHBondContact O-CB 3.01Å; G39-I42 PolarHBondContact O-N 3.05Å; G39-I43 WeakPolarHBondContact O-CG1 3.32Å; G39-I43 PolarHBondContact O-N 3.41Å
40N96.3Very high92.8Very high16 Ų1651 Ų519%0.08628%0.277CS..Hα-helixtrans-61.3-41176.1-70.2-17.9000112.1T36 H37 A38 I43 M44 V74 A77 I78T36-N40 PolarHBondContact O-N 3.25Å; T36-N40 PolarHBondContact O-ND2 3.25Å; H37-N40 PolarHBondContact O-N 2.96Å; A38-N40 PolarHBondContact O-N 2.96Å; N40-I43 PolarHBondContact O-N 3.42Å; N40-M44 WeakPolarHBondContact O-CG 3.44Å; N40-M44 PolarHBondContact O-N 2.86Å; N40-V74 HydrophobicContact CB-CG1 3.93Å; N40-A77 VanDerWaalsContact OD1-CB 3.3Å; N40-A77 WeakPolarHBondContact OD1-CB 3.4Å; N40-I78 WeakPolarHBondContact ND2-CG1 3.33Å
41L94.9Very high91.9Very high57 Ų5754 Ų5430%0.29831%0.305SS..Hα-helixtrans-69.4-34.3176-71.2179.1000112.9L5 V8 I9 L12 H37 A38 G39 M44 S45L5-L41 HydrophobicContact CD1-CD2 4.43Å; V8-L41 HydrophobicContact CG1-CD1 4.48Å; I9-L41 HydrophobicContact CD1-CB 4.04Å; I9-L41 HydrophobicContact CG1-CB 3.72Å; I9-L41 HydrophobicContact CG1-CD1 4.44Å; L12-L41 HydrophobicContact CD1-CD1 3.57Å; H37-L41 WeakPolarHBondContact O-CG 3.49Å; H37-L41 PolarHBondContact O-N 2.83Å; A38-L41 PolarHBondContact O-N 3.37Å; G39-L41 VanDerWaalsContact C-N 3.33Å; G39-L41 PolarHBondContact O-N 2.88Å; L41-M44 PolarHBondContact O-N 3.43Å; L41-S45 WeakPolarHBondContact O-CB 3.48Å; L41-S45 PolarHBondContact O-N 3.22Å
42I94.7Very high91.1Very high66 Ų6658.1 Ų58.134%0.33833%0.334SS..Hα-helixtrans-60.4-49.2173-71.6164.3000109.8I9 A38 G39 M44 S45 M46I9-I42 HydrophobicContact CD1-CG1 4.25Å; I9-I42 HydrophobicContact CG2-CD1 3.88Å; I9-I42 HydrophobicContact CG2-CG1 3.43Å; I9-I42 VanDerWaalsContact CG2-CG1 3.43Å; A38-I42 VanDerWaalsContact O-CG1 3.31Å; A38-I42 WeakPolarHBondContact O-CG1 3.4Å; A38-I42 PolarHBondContact O-N 3.46Å; G39-I42 WeakPolarHBondContact O-CB 3.01Å; G39-I42 PolarHBondContact O-N 3.05Å; I42-M44 VanDerWaalsContact C-N 3.34Å; I42-M44 PolarHBondContact O-N 3.27Å; I42-S45 PolarHBondContact O-N 3.44Å; I42-S45 VanDerWaalsContact O-N 3.13Å; I42-S45 PolarHBondContact O-OG 2.94Å; I42-M46 HydrophobicContact CG2-CE 4.03Å; I42-M46 PolarHBondContact O-N 3.12Å
43I94.1Very high90.4Very high44 Ų4459.8 Ų59.823%0.22634%0.337CS..Hα-helixtrans-61.2-45.8178.3-63.4168.6000110.2G39 N40 S45 M46 L70 I73 V74G39-I43 WeakPolarHBondContact O-CG1 3.32Å; G39-I43 PolarHBondContact O-N 3.41Å; N40-I43 PolarHBondContact O-N 3.42Å; I43-S45 VanDerWaalsContact C-N 3.3Å; I43-S45 PolarHBondContact O-N 2.87Å; I43-M46 WeakPolarHBondContact O-CB 3.45Å; I43-M46 PolarHBondContact O-N 3.28Å; I43-L70 HydrophobicContact CG2-CD2 3.93Å; I43-I73 HydrophobicContact CD1-CG2 4.14Å; I43-I73 HydrophobicContact CG2-CG2 4.25Å; I43-V74 HydrophobicContact CB-CG2 3.79Å; I43-V74 HydrophobicContact CD1-CG2 4.44Å; I43-V74 HydrophobicContact CG2-CG2 3.61Å
44M92.2Very high89.7Confident36 Ų3659.3 Ų59.318%0.17733%0.333CS..Hα-helixtrans-58.7-42174.5-73.8-649100111.8N40 L41 I42 M46 G47 Y49 L70 V74N40-M44 WeakPolarHBondContact O-CG 3.44Å; N40-M44 PolarHBondContact O-N 2.86Å; L41-M44 PolarHBondContact O-N 3.43Å; I42-M44 VanDerWaalsContact C-N 3.34Å; I42-M44 PolarHBondContact O-N 3.27Å; M44-M46 PolarHBondContact O-N 3.43Å; M44-G47 PolarHBondContact O-N 3.32Å; M44-Y49 WeakPolarHBondContact O-CE2 3.31Å; M44-Y49 PolarHBondContact O-OH 3.46Å; M44-Y49 PolarHBondContact SD-OH 3.21Å; M44-L70 HydrophobicContact CE-CB 3.58Å; M44-L70 WeakPolarHBondContact CE-O 3.38Å; M44-V74 HydrophobicContact CE-CB 3.97Å; M44-V74 HydrophobicContact CE-CG2 3.4Å; M44-V74 HydrophobicContact CG-CG2 4.1Å; M44-V74 HydrophobicContact SD-CG2 4.35Å
45S91.6Very high89.2Confident27 Ų2763 Ų6319%0.18935%0.35CS..Hα-helixtrans-61-20.7-17878.10000114.8L41 I42 I43 G47L41-S45 WeakPolarHBondContact O-CB 3.48Å; L41-S45 PolarHBondContact O-N 3.22Å; I42-S45 PolarHBondContact O-N 3.44Å; I42-S45 VanDerWaalsContact O-N 3.13Å; I42-S45 PolarHBondContact O-OG 2.94Å; I43-S45 VanDerWaalsContact C-N 3.3Å; I43-S45 PolarHBondContact O-N 2.87Å; S45-G47 PolarHBondContact O-N 3.3Å
46M90.5Very high88.6Confident133 Ų13361.4 Ų61.466%0.65535%0.35SS*.THydrogen-bonded Turntrans-72.4-19174.4-59.7178.4179.800112.5I42 I43 M44 L70I42-M46 HydrophobicContact CG2-CE 4.03Å; I42-M46 PolarHBondContact O-N 3.12Å; I43-M46 WeakPolarHBondContact O-CB 3.45Å; I43-M46 PolarHBondContact O-N 3.28Å; M44-M46 PolarHBondContact O-N 3.43Å; M46-L70 HydrophobicContact CB-CD1 4.46Å
47G87.5Confident88.1Confident12 Ų1264.5 Ų64.512%0.12436%0.364CS..SBendtrans-72.4149176.900000112.2M44 S45 Y49 L70M44-G47 PolarHBondContact O-N 3.32Å; S45-G47 PolarHBondContact O-N 3.3Å; G47-Y49 WeakPolarHBondContact O-CD2 3.36Å; G47-L70 VanDerWaalsContact N-CD1 3.31Å
48T83.6Confident87.4Confident81 Ų8167.1 Ų67.150%0.49738%0.38SS..  trans-92.4113169.4-58.70000109.2R53T48-R53 VanDerWaalsContact CB-CZ 3.42Å; T48-R53 VanDerWaalsContact CB-NH1 3.35Å; T48-R53 VanDerWaalsContact CG2-NH2 3.25Å; T48-R53 WeakPolarHBondContact O-CD 3.44Å; T48-R53 PolarHBondContact O-NH1 3Å; T48-R53 VanDerWaalsContact O-NH1 3.14Å
49Y83.1Confident86.4Confident106 Ų10671 Ų7142%0.41640%0.404SS..  trans-110.4142.4172.3-49.6-83.9000109.1M44 G47 V66M44-Y49 WeakPolarHBondContact O-CE2 3.31Å; M44-Y49 PolarHBondContact O-OH 3.46Å; M44-Y49 PolarHBondContact SD-OH 3.21Å; G47-Y49 WeakPolarHBondContact O-CD2 3.36Å; Y49-V66 HydrophobicContact CD1-CG1 4.05Å
50G78.7Confident85.1Confident41 Ų4173 Ų7342%0.42343%0.425SS..  trans-172.8161.4176.600000110.4S52 R53G50-S52 PolarHBondContact O-N 3.18Å; G50-R53 PolarHBondContact O-N 3.03Å
51S77.1Confident83.9Confident141 Ų14175.2 Ų75.299%0.98645%0.452SS*.THydrogen-bonded Turntrans-59.5-19.3-177.8-51.70000113.9R53S51-R53 VanDerWaalsContact C-N 3.29Å
52S79Confident82.5Confident86 Ų8680.8 Ų80.860%0.60148%0.482SS*.THydrogen-bonded Turntrans-83.8-1176.170.10000113.6G50G50-S52 PolarHBondContact O-N 3.18Å
53R81.1Confident81.6Confident89 Ų8981.6 Ų81.634%0.33648%0.484SS..EExtended strand (participates in β ladder)trans-114.8135.9-177.3-60.2-166.6-177.2-164.60.2113T48 G50 S51 L64 V66T48-R53 VanDerWaalsContact CB-CZ 3.42Å; T48-R53 VanDerWaalsContact CB-NH1 3.35Å; T48-R53 VanDerWaalsContact CG2-NH2 3.25Å; T48-R53 WeakPolarHBondContact O-CD 3.44Å; T48-R53 PolarHBondContact O-NH1 3Å; T48-R53 VanDerWaalsContact O-NH1 3.14Å; G50-R53 PolarHBondContact O-N 3.03Å; S51-R53 VanDerWaalsContact C-N 3.29Å; R53-L64 CarbonylContact C-O 3.47Å; R53-L64 WeakPolarHBondContact CA-O 3.23Å; R53-L64 WeakPolarHBondContact CB-O 3.38Å; R53-L64 HydrophobicContact CG-CB 4Å; R53-V66 HydrophobicContact CB-CG1 3.82Å
54S82.7Confident81Confident14 Ų1484.6 Ų84.610%0.09850%0.5CS..EExtended strand (participates in β ladder)trans-103.2164.6176.251.50000112.2Q63 L64 F65 V66S54-Q63 WeakPolarHBondContact OG-CB 3.3Å; S54-Q63 PolarHBondContact OG-OE1 3.38Å; S54-L64 PolarHBondContact N-O 2.88Å; S54-F65 WeakPolarHBondContact O-CA 3.36Å; S54-F65 WeakPolarHBondContact OG-CD1 3.5Å; S54-F65 WeakPolarHBondContact OG-CE1 3.44Å; S54-V66 WeakPolarHBondContact O-CG2 3.15Å; S54-V66 PolarHBondContact O-N 3.29Å
55E85Confident80.6Confident110 Ų11086.1 Ų86.151%0.51451%0.506SS..  trans-52.6147.8172.261.9-82.2-167.600111.9L57 F65E55-L57 HydrophobicContact CB-CD1 4.08Å; E55-L57 HydrophobicContact CG-CB 4.17Å; E55-L57 HydrophobicContact CG-CD1 3.47Å; E55-L57 VanDerWaalsContact CG-CD1 3.47Å; E55-L57 HydrophobicContact CG-CG 4.37Å; E55-L57 PolarHBondContact O-N 3.24Å; E55-F65 WeakPolarHBondContact O-CD1 3.37Å
56P84.1Confident80.4Confident49 Ų4985.6 Ų85.632%0.31850%0.501SS..SBendtrans-78.256.7-173.634.6-34.4000111.7V66 P68P56-V66 HydrophobicContact CG-CG2 4.26Å; P56-P68 HydrophobicContact CB-CB 3.89Å; P56-P68 HydrophobicContact CG-CB 4.45Å
57L84.2Confident80.3Confident104 Ų10482.3 Ų82.355%0.54549%0.486SS..  trans-119.1124.3176.9-78.5137.8000107.5E55 T59 F65E55-L57 HydrophobicContact CB-CD1 4.08Å; E55-L57 HydrophobicContact CG-CB 4.17Å; E55-L57 HydrophobicContact CG-CD1 3.47Å; E55-L57 VanDerWaalsContact CG-CD1 3.47Å; E55-L57 HydrophobicContact CG-CG 4.37Å; E55-L57 PolarHBondContact O-N 3.24Å; L57-T59 HydrophobicContact CB-CG2 4.5Å; L57-T59 PolarHBondContact O-N 3.47Å; L57-F65 VanDerWaalsContact O-CE1 3.25Å; L57-F65 WeakPolarHBondContact O-CE1 3.42Å
58I82.1Confident80.4Confident168 Ų16885.4 Ų85.486%0.86251%0.505SS*.  trans-77.683.3-179.8-58.3167.1000108.1
59T75Confident80.8Confident82 Ų8286.8 Ų86.850%0.50351%0.508SS..  trans-112.392.1172.6500000107.7L57L57-T59 HydrophobicContact CB-CG2 4.5Å; L57-T59 PolarHBondContact O-N 3.47Å
60G69.9Low81.3Confident72 Ų7282.7 Ų82.774%0.74249%0.493SS*.SBendtrans27.5113.417000000118.7
61G70.5Confident81.9Confident62 Ų6284.2 Ų84.264%0.63949%0.49SS*.SBendtrans127.5166.6170.500000113.1Q63G61-Q63 VanDerWaalsContact C-N 3.26Å; G61-Q63 PolarHBondContact O-N 3.5Å; G61-Q63 VanDerWaalsContact O-N 3.11Å
62N65.1Low82.8Confident173 Ų17380 Ų8093%0.92546%0.463SS*.  trans-85.667.3176.1-168.333.2000109.9
63Q76.3Confident83.6Confident84 Ų8479.5 Ų79.539%0.39345%0.453SS..  trans-88.7143.3175.3-56.9-171.924.200109.9S54 G61 F65S54-Q63 WeakPolarHBondContact OG-CB 3.3Å; S54-Q63 PolarHBondContact OG-OE1 3.38Å; G61-Q63 VanDerWaalsContact C-N 3.26Å; G61-Q63 PolarHBondContact O-N 3.5Å; G61-Q63 VanDerWaalsContact O-N 3.11Å; Q63-F65 HydrophobicContact CB-CE1 4.04Å; Q63-F65 HydrophobicContact CB-CZ 4.08Å; Q63-F65 WeakPolarHBondContact O-CD2 3.48Å; Q63-F65 WeakPolarHBondContact O-CE2 3.38Å; Q63-F65 PolarHBondContact O-N 2.94Å
64L81.6Confident84.4Confident107 Ų10776 Ų7656%0.5644%0.442SS*.EExtended strand (participates in β ladder)trans-77.1114.4170.5-66.4170.1000107.6R53 S54R53-L64 CarbonylContact C-O 3.47Å; R53-L64 WeakPolarHBondContact CA-O 3.23Å; R53-L64 WeakPolarHBondContact CB-O 3.38Å; R53-L64 HydrophobicContact CG-CB 4Å; S54-L64 PolarHBondContact N-O 2.88Å
65F84.6Confident85Confident68 Ų6880.8 Ų80.830%0.29847%0.465SS..EExtended strand (participates in β ladder)trans-85.7149.8179.6-59.9-68.1000111.6S54 E55 L57 Q63S54-F65 WeakPolarHBondContact O-CA 3.36Å; S54-F65 WeakPolarHBondContact OG-CD1 3.5Å; S54-F65 WeakPolarHBondContact OG-CE1 3.44Å; E55-F65 WeakPolarHBondContact O-CD1 3.37Å; L57-F65 VanDerWaalsContact O-CE1 3.25Å; L57-F65 WeakPolarHBondContact O-CE1 3.42Å; Q63-F65 HydrophobicContact CB-CE1 4.04Å; Q63-F65 HydrophobicContact CB-CZ 4.08Å; Q63-F65 WeakPolarHBondContact O-CD2 3.48Å; Q63-F65 WeakPolarHBondContact O-CE2 3.38Å; Q63-F65 PolarHBondContact O-N 2.94Å
66V87Confident85.6Confident15 Ų1579.7 Ų79.79%0.09147%0.466CS..  trans-66.4154.2163.2-64.60000109.8Y49 R53 S54 P56 P68Y49-V66 HydrophobicContact CD1-CG1 4.05Å; R53-V66 HydrophobicContact CB-CG1 3.82Å; S54-V66 WeakPolarHBondContact O-CG2 3.15Å; S54-V66 PolarHBondContact O-N 3.29Å; P56-V66 HydrophobicContact CG-CG2 4.26Å; V66-P68 WeakPolarHBondContact O-CD 3.37Å; V66-P68 VanDerWaalsContact O-N 3.15Å
67D87.3Confident86.2Confident64 Ų6478.6 Ų78.634%0.34246%0.461SS..  trans-64.9113.9-175.1-172.2-10.8000111.5L69 L70D67-L69 VanDerWaalsContact C-N 3.28Å; D67-L69 PolarHBondContact O-N 3.13Å; D67-L69 WeakPolarHBondContact OD1-CB 3.45Å; D67-L69 PolarHBondContact OD1-N 3.16Å; D67-L70 HydrophobicContact CB-CD1 4.13Å; D67-L70 HydrophobicContact CB-CG 4.37Å
68P90.7Very high86.8Confident78 Ų7877.7 Ų77.751%0.50646%0.456SS..Hα-helixtrans-70-25.7178.128.3-33.8000112.7P56 V66 Q71 A72P56-P68 HydrophobicContact CB-CB 3.89Å; P56-P68 HydrophobicContact CG-CB 4.45Å; V66-P68 WeakPolarHBondContact O-CD 3.37Å; V66-P68 VanDerWaalsContact O-N 3.15Å; P68-Q71 PolarHBondContact O-N 3.44Å; P68-A72 PolarHBondContact O-N 2.88Å
69L92.3Very high87.6Confident109 Ų10974.1 Ų74.157%0.57144%0.442SS*.Hα-helixtrans-65.3-47.9-176.617862.1000110.7D67 Q71 A72 I73D67-L69 VanDerWaalsContact C-N 3.28Å; D67-L69 PolarHBondContact O-N 3.13Å; D67-L69 WeakPolarHBondContact OD1-CB 3.45Å; D67-L69 PolarHBondContact OD1-N 3.16Å; L69-Q71 VanDerWaalsContact C-N 3.27Å; L69-Q71 PolarHBondContact O-N 3.46Å; L69-A72 PolarHBondContact O-N 3.31Å; L69-I73 HydrophobicContact CD1-CD1 4.1Å; L69-I73 HydrophobicContact CD1-CG1 4.41Å; L69-I73 HydrophobicContact CG-CD1 3.95Å; L69-I73 WeakPolarHBondContact O-CG1 3.43Å; L69-I73 PolarHBondContact O-N 2.91Å
70L93Very high88.6Confident21 Ų2175.4 Ų75.411%0.1145%0.445CS..Hα-helixtrans-60.9-40.2179.6-66.8172.7000111I43 M44 M46 G47 D67 I73 V74I43-L70 HydrophobicContact CG2-CD2 3.93Å; M44-L70 HydrophobicContact CE-CB 3.58Å; M44-L70 WeakPolarHBondContact CE-O 3.38Å; M46-L70 HydrophobicContact CB-CD1 4.46Å; G47-L70 VanDerWaalsContact N-CD1 3.31Å; D67-L70 HydrophobicContact CB-CD1 4.13Å; D67-L70 HydrophobicContact CB-CG 4.37Å; L70-I73 PolarHBondContact O-N 3.21Å; L70-V74 WeakPolarHBondContact O-CG2 3.49Å; L70-V74 PolarHBondContact O-N 3.43Å
71Q92.1Very high89.8Confident73 Ų7372.4 Ų72.434%0.34141%0.414SS..Hα-helixtrans-65-42.9178.2-65.2-177.430.600112.2P68 L69 V74 L75P68-Q71 PolarHBondContact O-N 3.44Å; L69-Q71 VanDerWaalsContact C-N 3.27Å; L69-Q71 PolarHBondContact O-N 3.46Å; Q71-V74 PolarHBondContact O-N 3.38Å; Q71-L75 PolarHBondContact O-N 3.09Å
72A95.6Very high91.1Very high53 Ų5376.8 Ų76.844%0.43842%0.416SS..Hα-helixtrans-62.3-43.8176.500000111.7P68 L69 V74 L75 T76P68-A72 PolarHBondContact O-N 2.88Å; L69-A72 PolarHBondContact O-N 3.31Å; A72-V74 VanDerWaalsContact C-N 3.34Å; A72-V74 PolarHBondContact O-N 3.04Å; A72-L75 PolarHBondContact O-N 3.29Å; A72-T76 PolarHBondContact O-N 2.84Å; A72-T76 PolarHBondContact O-OG1 3.16Å
73I96.2Very high92.6Very high75 Ų7570.4 Ų70.439%0.38539%0.391SS..Hα-helixtrans-60.2-44.7177.3-68.3167.7000110.9I43 L69 L70 T76 A77I43-I73 HydrophobicContact CD1-CG2 4.14Å; I43-I73 HydrophobicContact CG2-CG2 4.25Å; L69-I73 HydrophobicContact CD1-CD1 4.1Å; L69-I73 HydrophobicContact CD1-CG1 4.41Å; L69-I73 HydrophobicContact CG-CD1 3.95Å; L69-I73 WeakPolarHBondContact O-CG1 3.43Å; L69-I73 PolarHBondContact O-N 2.91Å; L70-I73 PolarHBondContact O-N 3.21Å; I73-T76 PolarHBondContact O-N 3.38Å; I73-A77 WeakPolarHBondContact O-CB 3.41Å; I73-A77 PolarHBondContact O-N 2.87Å
74V96.3Very high93.6Very high15 Ų1571.3 Ų71.39%0.09140%0.396CS..Hα-helixtrans-67.4-37.9179169.50000111.6N40 I43 M44 L70 Q71 A72 T76 A77 I78N40-V74 HydrophobicContact CB-CG1 3.93Å; I43-V74 HydrophobicContact CB-CG2 3.79Å; I43-V74 HydrophobicContact CD1-CG2 4.44Å; I43-V74 HydrophobicContact CG2-CG2 3.61Å; M44-V74 HydrophobicContact CE-CB 3.97Å; M44-V74 HydrophobicContact CE-CG2 3.4Å; M44-V74 HydrophobicContact CG-CG2 4.1Å; M44-V74 HydrophobicContact SD-CG2 4.35Å; L70-V74 WeakPolarHBondContact O-CG2 3.49Å; L70-V74 PolarHBondContact O-N 3.43Å; Q71-V74 PolarHBondContact O-N 3.38Å; A72-V74 VanDerWaalsContact C-N 3.34Å; A72-V74 PolarHBondContact O-N 3.04Å; V74-T76 VanDerWaalsContact C-N 3.32Å; V74-T76 PolarHBondContact O-N 2.9Å; V74-A77 PolarHBondContact O-N 3.39Å; V74-I78 HydrophobicContact CG1-CD1 3.84Å; V74-I78 HydrophobicContact CG1-CG1 4.27Å; V74-I78 VanDerWaalsContact O-CG1 3.23Å; V74-I78 WeakPolarHBondContact O-CG1 3.36Å; V74-I78 PolarHBondContact O-N 2.85Å
75L96.1Very high94.4Very high114 Ų11467.6 Ų67.660%0.59738%0.378SS*.Hα-helixtrans-60.3-42.9174.2-176.962.9000111.6Q71 A72 I78 V79Q71-L75 PolarHBondContact O-N 3.09Å; A72-L75 PolarHBondContact O-N 3.29Å; L75-I78 PolarHBondContact O-N 3.31Å; L75-V79 PolarHBondContact O-N 3Å
76T97.5Very high95Very high87 Ų8766.2 Ų66.253%0.53438%0.379SS..Hα-helixtrans-62.1-45.6173.6-57.30000111.7A72 I73 V74 I78 V79 I80A72-T76 PolarHBondContact O-N 2.84Å; A72-T76 PolarHBondContact O-OG1 3.16Å; I73-T76 PolarHBondContact O-N 3.38Å; V74-T76 VanDerWaalsContact C-N 3.32Å; V74-T76 PolarHBondContact O-N 2.9Å; T76-I78 VanDerWaalsContact C-N 3.32Å; T76-I78 PolarHBondContact O-N 3.17Å; T76-V79 PolarHBondContact O-N 2.9Å; T76-I80 HydrophobicContact CG2-CD1 3.96Å; T76-I80 WeakPolarHBondContact O-CG1 3.5Å; T76-I80 PolarHBondContact O-N 3.14Å; T76-I80 VanDerWaalsContact O-N 3.12Å
77A96.9Very high95.5Very high26 Ų2671.6 Ų71.622%0.21540%0.402CS..Hα-helixtrans-61.8-38.2178.700000112.5N40 I73 V74 I80 G81N40-A77 VanDerWaalsContact OD1-CB 3.3Å; N40-A77 WeakPolarHBondContact OD1-CB 3.4Å; I73-A77 WeakPolarHBondContact O-CB 3.41Å; I73-A77 PolarHBondContact O-N 2.87Å; V74-A77 PolarHBondContact O-N 3.39Å; A77-I80 PolarHBondContact O-N 3.35Å; A77-G81 PolarHBondContact O-N 2.86Å
78I97.2Very high95.9Very high86 Ų8670.1 Ų70.144%0.44139%0.394SS..Hα-helixtrans-60.3-46.3176.1-71.6165000111.1N40 V74 L75 T76 G81 F82N40-I78 WeakPolarHBondContact ND2-CG1 3.33Å; V74-I78 HydrophobicContact CG1-CD1 3.84Å; V74-I78 HydrophobicContact CG1-CG1 4.27Å; V74-I78 VanDerWaalsContact O-CG1 3.23Å; V74-I78 WeakPolarHBondContact O-CG1 3.36Å; V74-I78 PolarHBondContact O-N 2.85Å; L75-I78 PolarHBondContact O-N 3.31Å; T76-I78 VanDerWaalsContact C-N 3.32Å; T76-I78 PolarHBondContact O-N 3.17Å; I78-G81 PolarHBondContact O-N 3.21Å; I78-F82 WeakPolarHBondContact O-CB 3.32Å; I78-F82 PolarHBondContact O-N 3.43Å
79V97.6Very high96.2Very high93 Ų9370.2 Ų70.256%0.56439%0.389SS*.Hα-helixtrans-67.9-41.1-178.3177.70000111.3L75 T76 F82 G83L75-V79 PolarHBondContact O-N 3Å; T76-V79 PolarHBondContact O-N 2.9Å; V79-F82 PolarHBondContact O-N 3.41Å; V79-G83 PolarHBondContact O-N 3.1Å
80I96.9Very high96.5Very high108 Ų10869.4 Ų69.455%0.55439%0.389SS*.Hα-helixtrans-62.2-47.1174.5-66.4170.5000110.2T76 A77 F82 G83 M84T76-I80 HydrophobicContact CG2-CD1 3.96Å; T76-I80 WeakPolarHBondContact O-CG1 3.5Å; T76-I80 PolarHBondContact O-N 3.14Å; T76-I80 VanDerWaalsContact O-N 3.12Å; A77-I80 PolarHBondContact O-N 3.35Å; I80-F82 VanDerWaalsContact C-N 3.33Å; I80-F82 PolarHBondContact O-N 3.45Å; I80-G83 PolarHBondContact O-N 2.84Å; I80-M84 HydrophobicContact CG2-CG 4.36Å; I80-M84 WeakPolarHBondContact O-CG 3.3Å; I80-M84 PolarHBondContact O-N 3.48Å
81G96.1Very high96.6Very high10 Ų1072.1 Ų72.110%0.10340%0.403CS..Hα-helixtrans-57.9-44.3176.700000112.3A77 I78 M84 T85A77-G81 PolarHBondContact O-N 2.86Å; I78-G81 PolarHBondContact O-N 3.21Å; G81-M84 PolarHBondContact O-N 3.32Å; G81-T85 WeakPolarHBondContact O-CB 3.3Å; G81-T85 PolarHBondContact O-N 3.14Å; G81-T85 PolarHBondContact O-OG1 3.02Å; G81-T85 VanDerWaalsContact O-OG1 3.14Å
82F96.6Very high96.8Very high153 Ų15369.6 Ų69.667%0.67139%0.393SS*.Hα-helixtrans-59.7-47174.8173.9-102.2000112.2I78 V79 I80 M84 T85 A86I78-F82 WeakPolarHBondContact O-CB 3.32Å; I78-F82 PolarHBondContact O-N 3.43Å; V79-F82 PolarHBondContact O-N 3.41Å; I80-F82 VanDerWaalsContact C-N 3.33Å; I80-F82 PolarHBondContact O-N 3.45Å; F82-M84 PolarHBondContact O-N 3.37Å; F82-T85 PolarHBondContact O-N 3.36Å; F82-A86 WeakPolarHBondContact O-CB 3.41Å; F82-A86 PolarHBondContact O-N 3.28Å
83G97.5Very high96.8Very high39 Ų3974.4 Ų74.440%0.40240%0.401SS..Hα-helixtrans-60.5-43.917700000112.8V79 I80 F87V79-G83 PolarHBondContact O-N 3.1Å; I80-G83 PolarHBondContact O-N 2.84Å; G83-F87 WeakPolarHBondContact O-CB 3.34Å; G83-F87 PolarHBondContact O-N 2.88Å
84M97Very high96.7Very high104 Ų10479.5 Ų79.551%0.51242%0.415SS..Hα-helixtrans-63.8-46.8176.3-72.3-65.5-66.100112I80 G81 F82 F87 L88I80-M84 HydrophobicContact CG2-CG 4.36Å; I80-M84 WeakPolarHBondContact O-CG 3.3Å; I80-M84 PolarHBondContact O-N 3.48Å; G81-M84 PolarHBondContact O-N 3.32Å; F82-M84 PolarHBondContact O-N 3.37Å; M84-F87 PolarHBondContact O-N 3.34Å; M84-L88 WeakPolarHBondContact O-CB 3.4Å; M84-L88 VanDerWaalsContact O-CG 3.3Å; M84-L88 WeakPolarHBondContact O-CG 3.45Å; M84-L88 PolarHBondContact O-N 3.48Å
85T97Very high96.6Very high28 Ų2880.4 Ų80.417%0.17242%0.421CS..Hα-helixtrans-64-42.6178.1-63.50000111.5V29 S33 G81 F82 F87 L88 L89V29-T85 HydrophobicContact CG1-CG2 4.24Å; S33-T85 WeakPolarHBondContact OG-CG2 3.43Å; S33-T85 PolarHBondContact OG-OG1 3.38Å; G81-T85 WeakPolarHBondContact O-CB 3.3Å; G81-T85 PolarHBondContact O-N 3.14Å; G81-T85 PolarHBondContact O-OG1 3.02Å; G81-T85 VanDerWaalsContact O-OG1 3.14Å; F82-T85 PolarHBondContact O-N 3.36Å; T85-F87 PolarHBondContact O-N 3Å; T85-L88 PolarHBondContact O-N 3.35Å; T85-L89 HydrophobicContact CG2-CD1 4.13Å; T85-L89 HydrophobicContact CG2-CG 4.42Å; T85-L89 WeakPolarHBondContact O-CB 3.42Å; T85-L89 VanDerWaalsContact O-CG 3.3Å; T85-L89 WeakPolarHBondContact O-CG 3.4Å; T85-L89 PolarHBondContact O-N 3.06Å
86A97.5Very high96.5Very high39 Ų3980.7 Ų80.732%0.32241%0.414SS..Hα-helixtrans-60.8-44.6175.700000111.7F82 L89 V90F82-A86 WeakPolarHBondContact O-CB 3.41Å; F82-A86 PolarHBondContact O-N 3.28Å; A86-L89 PolarHBondContact O-N 3.13Å; A86-V90 WeakPolarHBondContact O-CG2 3.35Å; A86-V90 PolarHBondContact O-N 3.33Å; A86-V90 VanDerWaalsContact O-N 3.11Å
87F97.8Very high96.3Very high129 Ų12982.9 Ų82.957%0.56642%0.417SS*.Hα-helixtrans-61.5-47.1175.3175.3-101.4000112G83 M84 T85 L89 V90 L91G83-F87 WeakPolarHBondContact O-CB 3.34Å; G83-F87 PolarHBondContact O-N 2.88Å; M84-F87 PolarHBondContact O-N 3.34Å; T85-F87 PolarHBondContact O-N 3Å; F87-L89 VanDerWaalsContact C-N 3.34Å; F87-L89 PolarHBondContact O-N 3.48Å; F87-V90 PolarHBondContact O-N 2.9Å; F87-L91 HydrophobicContact CE1-CD1 3.84Å; F87-L91 HydrophobicContact CZ-CD1 4.04Å; F87-L91 WeakPolarHBondContact O-CB 3.47Å; F87-L91 PolarHBondContact O-N 3.44Å
88L96.8Very high96.2Very high33 Ų3387 Ų8717%0.17344%0.439CS..Hα-helixtrans-61.2-40.8178-74.8173.6000112.1V29 I32 M84 T85 V90 L91 V92V29-L88 HydrophobicContact CG1-CB 4.19Å; V29-L88 HydrophobicContact CG2-CB 4.06Å; I32-L88 HydrophobicContact CD1-CD1 3.78Å; I32-L88 HydrophobicContact CG2-CD1 4.21Å; M84-L88 WeakPolarHBondContact O-CB 3.4Å; M84-L88 VanDerWaalsContact O-CG 3.3Å; M84-L88 WeakPolarHBondContact O-CG 3.45Å; M84-L88 PolarHBondContact O-N 3.48Å; T85-L88 PolarHBondContact O-N 3.35Å; L88-V90 PolarHBondContact O-N 3.29Å; L88-L91 PolarHBondContact O-N 2.89Å; L88-V92 WeakPolarHBondContact O-CB 3.3Å; L88-V92 WeakPolarHBondContact O-CG2 3.48Å; L88-V92 PolarHBondContact O-N 3.21Å
89L96.8Very high95.9Very high79 Ų7985.8 Ų85.841%0.41444%0.435SS..Hα-helixtrans-61.7-43.7175.6-75.1171.5000111.8I26 V29 T85 A86 F87 Y93I26-L89 HydrophobicContact CD1-CD2 3.69Å; V29-L89 HydrophobicContact CG1-CD2 3.91Å; V29-L89 HydrophobicContact CG1-CG 4.06Å; T85-L89 HydrophobicContact CG2-CD1 4.13Å; T85-L89 HydrophobicContact CG2-CG 4.42Å; T85-L89 WeakPolarHBondContact O-CB 3.42Å; T85-L89 VanDerWaalsContact O-CG 3.3Å; T85-L89 WeakPolarHBondContact O-CG 3.4Å; T85-L89 PolarHBondContact O-N 3.06Å; A86-L89 PolarHBondContact O-N 3.13Å; F87-L89 VanDerWaalsContact C-N 3.34Å; F87-L89 PolarHBondContact O-N 3.48Å; L89-Y93 VanDerWaalsContact O-CB 3.26Å; L89-Y93 WeakPolarHBondContact O-CB 3.03Å; L89-Y93 PolarHBondContact O-N 3.29Å
90V97.3Very high95.5Very high93 Ų9387.9 Ų87.956%0.56444%0.437SS*.Hα-helixtrans-65.8-39.6175.8173.50000111.2A86 F87 L88 Y93 R94A86-V90 WeakPolarHBondContact O-CG2 3.35Å; A86-V90 PolarHBondContact O-N 3.33Å; A86-V90 VanDerWaalsContact O-N 3.11Å; F87-V90 PolarHBondContact O-N 2.9Å; L88-V90 PolarHBondContact O-N 3.29Å; V90-Y93 PolarHBondContact O-N 3.31Å; V90-R94 VanDerWaalsContact O-CB 3.31Å; V90-R94 WeakPolarHBondContact O-CB 3.4Å; V90-R94 PolarHBondContact O-N 3.23Å
91L96Very high95.2Very high77 Ų7786.5 Ų86.540%0.40343%0.428SS..Hα-helixtrans-62.8-48.7176.9-175.2154.1000111.2F87 L88 R94 T95F87-L91 HydrophobicContact CE1-CD1 3.84Å; F87-L91 HydrophobicContact CZ-CD1 4.04Å; F87-L91 WeakPolarHBondContact O-CB 3.47Å; F87-L91 PolarHBondContact O-N 3.44Å; L88-L91 PolarHBondContact O-N 2.89Å; L91-R94 PolarHBondContact O-N 3.5Å; L91-T95 WeakPolarHBondContact O-CB 3.42Å; L91-T95 PolarHBondContact O-N 2.96Å; L91-T95 PolarHBondContact O-OG1 3.27Å
92V95.3Very high94.9Very high21 Ų2189.5 Ų89.513%0.12744%0.442CS..Hα-helixtrans-62.4-45177.1169.40000110.5L25 V29 L88 R94 T95 Y96L25-V92 HydrophobicContact CB-CG1 3.83Å; L25-V92 HydrophobicContact CB-CG2 4.03Å; L25-V92 HydrophobicContact CD1-CG1 4.15Å; L25-V92 HydrophobicContact CD1-CG2 4.48Å; V29-V92 HydrophobicContact CG2-CG2 3.74Å; L88-V92 WeakPolarHBondContact O-CB 3.3Å; L88-V92 WeakPolarHBondContact O-CG2 3.48Å; L88-V92 PolarHBondContact O-N 3.21Å; V92-R94 PolarHBondContact O-N 2.85Å; V92-T95 PolarHBondContact O-N 2.88Å; V92-Y96 WeakPolarHBondContact O-CB 3.46Å; V92-Y96 PolarHBondContact O-N 3.23Å
93Y95.5Very high94.6Very high154 Ų15486.4 Ų86.460%0.60443%0.43SS*.Hα-helixtrans-58.7-45.1175.7173.5-107.7000112.4L89 V90 K97L89-Y93 VanDerWaalsContact O-CB 3.26Å; L89-Y93 WeakPolarHBondContact O-CB 3.03Å; L89-Y93 PolarHBondContact O-N 3.29Å; V90-Y93 PolarHBondContact O-N 3.31Å; Y93-K97 WeakPolarHBondContact O-CB 3.37Å; Y93-K97 PolarHBondContact O-N 2.89Å
94R95.7Very high94.2Very high182 Ų18288.3 Ų88.369%0.68743%0.429SS*.Hα-helixtrans-68-38.7178.7-170.4170.1-173.5-121.20.6111.8V90 L91 V92 K97 V98V90-R94 VanDerWaalsContact O-CB 3.31Å; V90-R94 WeakPolarHBondContact O-CB 3.4Å; V90-R94 PolarHBondContact O-N 3.23Å; L91-R94 PolarHBondContact O-N 3.5Å; V92-R94 PolarHBondContact O-N 2.85Å; R94-K97 PolarHBondContact O-N 2.94Å; R94-V98 WeakPolarHBondContact O-CG2 3.47Å; R94-V98 PolarHBondContact O-N 3.43Å; R94-V98 VanDerWaalsContact O-N 3.15Å
95T93.7Very high93.7Very high34 Ų3488.9 Ų88.921%0.20943%0.431CS..Hα-helixtrans-59.7-54.9175.4-57.10000109.7L25 L91 V92 K97 V98 T99 L107L25-T95 HydrophobicContact CD1-CG2 4.35Å; L91-T95 WeakPolarHBondContact O-CB 3.42Å; L91-T95 PolarHBondContact O-N 2.96Å; L91-T95 PolarHBondContact O-OG1 3.27Å; V92-T95 PolarHBondContact O-N 2.88Å; T95-K97 PolarHBondContact O-N 2.86Å; T95-V98 PolarHBondContact O-N 3.11Å; T95-T99 HydrophobicContact CG2-CG2 4.36Å; T95-T99 PolarHBondContact O-N 2.98Å; T95-T99 PolarHBondContact O-OG1 3.21Å; T95-L107 HydrophobicContact CG2-CD1 3.89Å; T95-L107 HydrophobicContact CG2-CD2 3.79Å
96Y93.6Very high93.1Very high119 Ų11989.5 Ų89.547%0.46744%0.443SS..Hα-helixtrans-56.7-37.1176.5-180-105.3000112.8V92 V98 K100 D102V92-Y96 WeakPolarHBondContact O-CB 3.46Å; V92-Y96 PolarHBondContact O-N 3.23Å; Y96-V98 VanDerWaalsContact C-N 3.3Å; Y96-V98 PolarHBondContact O-N 3.42Å; Y96-K100 WeakPolarHBondContact O-CA 3.26Å; Y96-K100 PolarHBondContact O-N 2.73Å; Y96-D102 HydrophobicContact CD2-CB 4.14Å; Y96-D102 HydrophobicContact CE2-CB 4.45Å
97K94.1Very high92.5Very high134 Ų13490.8 Ų90.858%0.58344%0.444SS*.Hα-helixtrans-64.2-34.9176.9-169.8177.5179.6-178.90112.8Y93 R94 T95Y93-K97 WeakPolarHBondContact O-CB 3.37Å; Y93-K97 PolarHBondContact O-N 2.89Å; R94-K97 PolarHBondContact O-N 2.94Å; T95-K97 PolarHBondContact O-N 2.86Å
98V93.3Very high91.7Very high113 Ų11391.5 Ų91.569%0.68544%0.443SS*.Hα-helixtrans-88.7-48.6-176174.50000112R94 T95 Y96R94-V98 WeakPolarHBondContact O-CG2 3.47Å; R94-V98 PolarHBondContact O-N 3.43Å; R94-V98 VanDerWaalsContact O-N 3.15Å; T95-V98 PolarHBondContact O-N 3.11Å; Y96-V98 VanDerWaalsContact C-N 3.3Å; Y96-V98 PolarHBondContact O-N 3.42Å
99T91.5Very high90.4Very high59 Ų5992.2 Ų92.236%0.36246%0.459SS..Hα-helixtrans-90.7-23.2-174.261.40000113.1T95 E101 L107T95-T99 HydrophobicContact CG2-CG2 4.36Å; T95-T99 PolarHBondContact O-N 2.98Å; T95-T99 PolarHBondContact O-OG1 3.21Å; T99-E101 PolarHBondContact O-N 3.27Å; T99-E101 PolarHBondContact OG1-N 2.91Å; T99-L107 HydrophobicContact CG2-CD2 3.72Å
100K89.6Confident88.8Confident137 Ų13797.3 Ų97.360%0.59648%0.48SS*.  trans61.912.6-167.4-54.8-61.6-177.4-173.80114.5Y96Y96-K100 WeakPolarHBondContact O-CA 3.26Å; Y96-K100 PolarHBondContact O-N 2.73Å
101E90.3Very high87.1Confident80 Ų80100.3 Ų100.337%0.37449%0.493SS..  trans-104.6133.3177.9-62.3-60.8154.600110.1T99 L107T99-E101 PolarHBondContact O-N 3.27Å; T99-E101 PolarHBondContact OG1-N 2.91Å; E101-L107 HydrophobicContact CB-CD2 3.98Å
102D89.5Confident85.4Confident72 Ų72101 Ų10139%0.38550%0.497SS..  trans-108.3-4.2172.671.9-35.4000113N24 L25 Y96N24-D102 PolarHBondContact ND2-OD2 3.42Å; L25-D102 WeakPolarHBondContact CB-O 3.31Å; L25-D102 WeakPolarHBondContact CG-O 3.43Å; L25-D102 PolarHBondContact N-O 2.85Å; Y96-D102 HydrophobicContact CD2-CB 4.14Å; Y96-D102 HydrophobicContact CE2-CB 4.45Å
103E91.6Very high83.5Confident89 Ų89104.2 Ų104.242%0.41653%0.526SS..BIsolated β-bridgetrans-100.8136.6176.1-72.4-171.3173.800111.1I23 E105 G106I23-E103 HydrophobicContact CG2-CB 3.75Å; I23-E103 HydrophobicContact CG2-CG 4.01Å; E103-E105 PolarHBondContact O-N 3.46Å; E103-G106 PolarHBondContact O-N 2.92Å
104I88.9Confident80.8Confident78 Ų78109.4 Ų109.440%0.455%0.552SS.*SBendtrans-59.6-34.8175.6-74.1-167000111.7I23 L25 I28 G106 L107I23-I104 PolarHBondContact O-N 2.81Å; L25-I104 HydrophobicContact CD2-CD1 4.15Å; L25-I104 HydrophobicContact CD2-CG1 3.54Å; L25-I104 HydrophobicContact CG-CG1 4.3Å; I28-I104 HydrophobicContact CD1-CD1 3.08Å; I28-I104 HydrophobicContact CD1-CG1 3.9Å; I104-G106 VanDerWaalsContact C-N 3.32Å; I104-G106 PolarHBondContact O-N 3.31Å; I104-L107 WeakPolarHBondContact O-CB 3.37Å; I104-L107 PolarHBondContact O-N 2.86Å
105E86.3Confident80.1Confident117 Ų117105.8 Ų105.855%0.54755%0.545SS..G310 helixtrans-64.2-37.9-178.4-170.8166.1-171.200112I23 E103 L107 R108I23-E105 HydrophobicContact CG2-CB 4.09Å; E103-E105 PolarHBondContact O-N 3.46Å; E105-L107 PolarHBondContact O-N 3.28Å; E105-R108 WeakPolarHBondContact O-CB 3.44Å; E105-R108 WeakPolarHBondContact O-CG 3.21Å; E105-R108 PolarHBondContact O-N 2.84Å
106G84.6Confident79.3Confident41 Ų41109.5 Ų109.542%0.42356%0.563SS.*G310 helixtrans-68.6-11.817400000114.4E103 I104E103-G106 PolarHBondContact O-N 2.92Å; I104-G106 VanDerWaalsContact C-N 3.32Å; I104-G106 PolarHBondContact O-N 3.31Å
107L84.9Confident78.6Confident66 Ų66109 Ų10935%0.34657%0.568SS.*G310 helixtrans-91.9-2.1175.9-57.9178.1000113.5L25 T95 T99 E101 I104 E105 G109L25-L107 HydrophobicContact CD1-CD1 4.12Å; L25-L107 HydrophobicContact CD2-CD1 4.29Å; T95-L107 HydrophobicContact CG2-CD1 3.89Å; T95-L107 HydrophobicContact CG2-CD2 3.79Å; T99-L107 HydrophobicContact CG2-CD2 3.72Å; E101-L107 HydrophobicContact CB-CD2 3.98Å; I104-L107 WeakPolarHBondContact O-CB 3.37Å; I104-L107 PolarHBondContact O-N 2.86Å; E105-L107 PolarHBondContact O-N 3.28Å; L107-G109 PolarHBondContact O-N 2.96Å
108R80.4Confident77.6Confident143 Ų143107.5 Ų107.554%0.5457%0.567SS.*  trans-69.6118.6175.4-63.4-177.872.1-172-0.4108.8E105 D112E105-R108 WeakPolarHBondContact O-CB 3.44Å; E105-R108 WeakPolarHBondContact O-CG 3.21Å; E105-R108 PolarHBondContact O-N 2.84Å; R108-D112 IonicContact CZ-OD2 3.34Å; R108-D112 IonicContact NE-OD2 2.9Å; R108-D112 PolarHBondContact NE-OD2 3.3Å; R108-D112 IonicContact NH2-OD2 2.9Å; R108-D112 PolarHBondContact NH2-OD2 2.99Å
109G68.6Low76.7Confident49 Ų49107.2 Ų107.251%0.50556%0.56SS.*  trans-61.4155.2175.300000111.4L107 D111 D112L107-G109 PolarHBondContact O-N 2.96Å; G109-D111 PolarHBondContact O-N 3.4Å; G109-D112 PolarHBondContact O-N 3.15Å; G109-D112 VanDerWaalsContact O-N 3.13Å
110E63.5Low75.7Confident185 Ų185110.4 Ų110.486%0.86457%0.573SS**G310 helixtrans-51.8-17.8179.8-95.3175.1140.600114.7D112 A113E110-D112 PolarHBondContact O-N 3.19Å; E110-A113 PolarHBondContact O-N 2.97Å
111D62.6Low74.7Confident156 Ų156108.5 Ų108.583%0.83457%0.571SS**G310 helixtrans-67.9-17.7179.5-64.3-34.3000113.9G109G109-D111 PolarHBondContact O-N 3.4Å
112D60Low73.5Confident91 Ų91110.7 Ų110.749%0.48759%0.587SS.*G310 helixtrans-90.5-5.1179.8-86.37.8000114.1R108 G109 E110R108-D112 IonicContact CZ-OD2 3.34Å; R108-D112 IonicContact NE-OD2 2.9Å; R108-D112 PolarHBondContact NE-OD2 3.3Å; R108-D112 IonicContact NH2-OD2 2.9Å; R108-D112 PolarHBondContact NH2-OD2 2.99Å; G109-D112 PolarHBondContact O-N 3.15Å; G109-D112 VanDerWaalsContact O-N 3.13Å; E110-D112 PolarHBondContact O-N 3.19Å
113A54.9Low72.2Confident89 Ų89113.9 Ų113.974%0.73660%0.603SS**  trans-95.719.3-174.300000114.4E110E110-A113 PolarHBondContact O-N 2.97Å
114K39.6Very low70.4Confident263 Ų263116.2 Ų116.2100%1.14362%0.62SS**  trans-1160170.8-80.3-175.4179175.50111.3

Retrieved 114 of 114 residues in 402.2 ms (Link to these results)

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