A0A5K4F681_SCHMA Loading...

Zinc finger BED domain-containing protein 5

AlphaFold DB (A0A3Q0KLS0), UniProt , Accession A0A5K4F681, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 144 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
1M72.9Confident79.7Confident47 Ų4757.6 Ų57.623%0.23232%0.324CS..  0-65.40179.7179.2-33.900112.6L3 Y4 L5 F37 F41 L44M1-L3 VanDerWaalsContact C-N 3.34Å; M1-L3 PolarHBondContact O-N 2.98Å; M1-Y4 WeakPolarHBondContact O-CB 3.26Å; M1-Y4 PolarHBondContact O-N 2.83Å; M1-Y4 VanDerWaalsContact O-N 3.09Å; M1-L5 HydrophobicContact CG-CD1 3.71Å; M1-L5 HydrophobicContact CG-CG 4.42Å; M1-L5 PolarHBondContact O-N 2.88Å; M1-L5 HydrophobicContact SD-CD1 4.24Å; M1-F37 HydrophobicContact CB-CE2 3.85Å; M1-F37 HydrophobicContact CB-CZ 4.03Å; M1-F37 HydrophobicContact CE-CD2 3.46Å; M1-F37 VanDerWaalsContact CE-CD2 3.46Å; M1-F37 HydrophobicContact CE-CE2 3.21Å; M1-F37 HydrophobicContact CE-CG 4.42Å; M1-F37 HydrophobicContact CE-CZ 4.02Å; M1-F41 HydrophobicContact CB-CD2 4.4Å; M1-F41 HydrophobicContact CB-CE2 4.42Å; M1-F41 HydrophobicContact CE-CD2 4.28Å; M1-F41 HydrophobicContact CG-CD2 3.59Å; M1-F41 HydrophobicContact CG-CE2 3.73Å; M1-F41 HydrophobicContact SD-CD2 3.96Å; M1-L44 HydrophobicContact SD-CD1 3.92Å
2H83.2Confident79.1Confident71 Ų7157.3 Ų57.333%0.32933%0.327SS..Hα-helixtrans-55.8-43.8-171-54.6-88.1000114.3Y4 L5 E6 Y54 W59H2-Y4 VanDerWaalsContact C-N 3.32Å; H2-Y4 PolarHBondContact O-N 3.35Å; H2-L5 PolarHBondContact O-N 3.4Å; H2-E6 WeakPolarHBondContact O-CB 3.45Å; H2-E6 PolarHBondContact O-N 3.35Å; H2-Y54 AromaticContact CE1-CZ 3.71Å; H2-Y54 PolarHBondContact CE1-OH 3.42Å; H2-Y54 AromaticContact ND1-CE1 3.62Å; H2-Y54 AromaticContact ND1-CZ 3.58Å; H2-Y54 PolarHBondContact ND1-OH 2.83Å; H2-W59 HydrophobicContact CB-CD2 3.4Å; H2-W59 VanDerWaalsContact CB-CD2 3.4Å; H2-W59 HydrophobicContact CB-CE3 3.45Å; H2-W59 VanDerWaalsContact CB-CE3 3.45Å; H2-W59 HydrophobicContact CB-CG 3.97Å; H2-W59 HydrophobicContact CB-CH2 3.95Å; H2-W59 HydrophobicContact CB-CZ2 3.91Å; H2-W59 HydrophobicContact CB-CZ3 3.72Å; H2-W59 AromaticContact CG-CD2 3.85Å; H2-W59 AromaticContact CG-CE3 3.45Å; H2-W59 VanDerWaalsContact CG-CE3 3.45Å; H2-W59 AromaticContact CG-CZ3 3.8Å; H2-W59 AromaticContact ND1-CD2 3.93Å; H2-W59 AromaticContact ND1-CE3 3.54Å
3L80.4Confident78.9Confident89 Ų8958.8 Ų58.847%0.46633%0.334SS..Hα-helixtrans-61.4-40.4178.2-58.9177.7000112.5M1 E6 S7 W59 F67M1-L3 VanDerWaalsContact C-N 3.34Å; M1-L3 PolarHBondContact O-N 2.98Å; L3-E6 PolarHBondContact O-N 3.36Å; L3-S7 PolarHBondContact O-N 3.25Å; L3-S7 PolarHBondContact O-OG 3.41Å; L3-W59 HydrophobicContact CD2-CH2 4.25Å; L3-W59 HydrophobicContact CD2-CZ2 3.69Å; L3-F67 HydrophobicContact CD2-CE1 4.2Å; L3-F67 HydrophobicContact CD2-CE2 4.27Å; L3-F67 HydrophobicContact CD2-CZ 3.46Å; L3-F67 VanDerWaalsContact CD2-CZ 3.46Å
4Y77.3Confident78.6Confident71 Ų7156.5 Ų56.528%0.27832%0.317SS..Hα-helixtrans-69.2-39.1177.6-64.7-53.4000112.3M1 H2 S7 S8 C17 K20M1-Y4 WeakPolarHBondContact O-CB 3.26Å; M1-Y4 PolarHBondContact O-N 2.83Å; M1-Y4 VanDerWaalsContact O-N 3.09Å; H2-Y4 VanDerWaalsContact C-N 3.32Å; H2-Y4 PolarHBondContact O-N 3.35Å; Y4-S7 WeakPolarHBondContact CA-OG 3.25Å; Y4-S7 PolarHBondContact O-N 3.45Å; Y4-S7 PolarHBondContact O-OG 3.44Å; Y4-S8 WeakPolarHBondContact O-CB 3.38Å; Y4-S8 PolarHBondContact O-N 3.02Å; Y4-S8 VanDerWaalsContact O-N 3.11Å; Y4-C17 PolarHBondContact O-SG 3.31Å; Y4-K20 HydrophobicContact CD1-CD 4.17Å; Y4-K20 HydrophobicContact CE1-CB 4.3Å; Y4-K20 HydrophobicContact CE1-CD 3.36Å; Y4-K20 HydrophobicContact CE1-CG 4.46Å
5L79.9Confident78.6Confident0 Ų059.5 Ų59.50%034%0.338CS..Hα-helixtrans-62.2-46.6173.2-76.9165.2000111M1 H2 S7 S8 A9 F41 L44 F45 V51 Y54 L55M1-L5 HydrophobicContact CG-CD1 3.71Å; M1-L5 HydrophobicContact CG-CG 4.42Å; M1-L5 PolarHBondContact O-N 2.88Å; M1-L5 HydrophobicContact SD-CD1 4.24Å; H2-L5 PolarHBondContact O-N 3.4Å; L5-S7 PolarHBondContact O-N 3.03Å; L5-S8 PolarHBondContact O-N 2.86Å; L5-A9 VanDerWaalsContact O-CB 3.23Å; L5-A9 WeakPolarHBondContact O-CB 3.45Å; L5-A9 PolarHBondContact O-N 3.47Å; L5-F41 HydrophobicContact CG-CE2 4.34Å; L5-L44 HydrophobicContact CD1-CD1 3.76Å; L5-F45 HydrophobicContact CD2-CD1 4.37Å; L5-F45 HydrophobicContact CD2-CE1 3.34Å; L5-F45 HydrophobicContact CD2-CE2 4.02Å; L5-F45 HydrophobicContact CD2-CZ 3.18Å; L5-F45 HydrophobicContact CG-CZ 4.13Å; L5-V51 HydrophobicContact CD2-CG1 4.06Å; L5-V51 HydrophobicContact CD2-CG2 4.25Å; L5-Y54 HydrophobicContact CD1-CD1 3.99Å; L5-Y54 HydrophobicContact CD1-CE1 3.69Å; L5-L55 HydrophobicContact CB-CD2 4.14Å
6E84.1Confident78.1Confident47 Ų4763.1 Ų63.122%0.2236%0.355CS..Hα-helixtrans-60.3-44.8177.8-176.5-176.7147.400112H2 L3 S8 P10 L55 W59 F60 R63H2-E6 WeakPolarHBondContact O-CB 3.45Å; H2-E6 PolarHBondContact O-N 3.35Å; L3-E6 PolarHBondContact O-N 3.36Å; E6-S8 PolarHBondContact O-N 3.08Å; E6-P10 WeakPolarHBondContact O-CD 3.41Å; E6-L55 HydrophobicContact CB-CD2 4.34Å; E6-W59 PolarHBondContact OE2-NE1 3.39Å; E6-F60 HydrophobicContact CG-CE1 4Å; E6-R63 IonicContact OE1-CZ 3.01Å; E6-R63 IonicContact OE1-NH1 2.63Å; E6-R63 PolarHBondContact OE1-NH1 3.27Å; E6-R63 IonicContact OE1-NH2 2.83Å; E6-R63 PolarHBondContact OE1-NH2 3.43Å; E6-R63 IonicContact OE2-CZ 3.28Å; E6-R63 VanDerWaalsContact OE2-CZ 3.28Å; E6-R63 IonicContact OE2-NE 3.76Å; E6-R63 IonicContact OE2-NH1 3.18Å; E6-R63 PolarHBondContact OE2-NH1 3.2Å; E6-R63 IonicContact OE2-NH2 3.57Å
7S81.7Confident77.8Confident77 Ų7759.5 Ų59.554%0.53833%0.334SS..Hα-helixtrans-67.5-33.9-178.961.50000113.5L3 Y4 L5L3-S7 PolarHBondContact O-N 3.25Å; L3-S7 PolarHBondContact O-OG 3.41Å; Y4-S7 WeakPolarHBondContact CA-OG 3.25Å; Y4-S7 PolarHBondContact O-N 3.45Å; Y4-S7 PolarHBondContact O-OG 3.44Å; L5-S7 PolarHBondContact O-N 3.03Å
8S79Confident77.7Confident6 Ų659.8 Ų59.84%0.04233%0.332CS..Hα-helixtrans-94.3-19.9-176.2-75.80000114.3Y4 L5 E6 P10 T11 C12 N13 Y14 C17Y4-S8 WeakPolarHBondContact O-CB 3.38Å; Y4-S8 PolarHBondContact O-N 3.02Å; Y4-S8 VanDerWaalsContact O-N 3.11Å; L5-S8 PolarHBondContact O-N 2.86Å; E6-S8 PolarHBondContact O-N 3.08Å; S8-P10 VanDerWaalsContact C-N 3.3Å; S8-T11 PolarHBondContact O-N 3.27Å; S8-T11 PolarHBondContact O-OG1 2.63Å; S8-C12 PolarHBondContact O-N 2.86Å; S8-N13 VanDerWaalsContact CB-O 3.28Å; S8-N13 WeakPolarHBondContact CB-O 3.42Å; S8-N13 PolarHBondContact OG-O 3.45Å; S8-Y14 VanDerWaalsContact CB-CE1 3.47Å; S8-C17 PolarHBondContact OG-SG 3.47Å
9A79Confident77.8Confident13 Ų1359.8 Ų59.811%0.10734%0.336CS..THydrogen-bonded Turntrans-51.4-39.7179.900000114.2L5 T11 C12 V51 L55L5-A9 VanDerWaalsContact O-CB 3.23Å; L5-A9 WeakPolarHBondContact O-CB 3.45Å; L5-A9 PolarHBondContact O-N 3.47Å; A9-T11 VanDerWaalsContact C-N 3.26Å; A9-T11 PolarHBondContact O-N 2.83Å; A9-C12 PolarHBondContact O-N 3.39Å; A9-V51 HydrophobicContact CB-CG1 4.23Å; A9-L55 HydrophobicContact CB-CD1 3.55Å
10P79.3Confident77.6Confident114 Ų11461.5 Ų61.574%0.7434%0.34SS*.THydrogen-bonded Turntrans-64.8-25.6178.9-23.734.9000114.8E6 S8E6-P10 WeakPolarHBondContact O-CD 3.41Å; S8-P10 VanDerWaalsContact C-N 3.3Å
11T80Confident77.5Confident99 Ų9959.1 Ų59.161%0.60733%0.326SS*.THydrogen-bonded Turntrans-106.8-10.3-175.561.90000113.1S8 A9 N13S8-T11 PolarHBondContact O-N 3.27Å; S8-T11 PolarHBondContact O-OG1 2.63Å; A9-T11 VanDerWaalsContact C-N 3.26Å; A9-T11 PolarHBondContact O-N 2.83Å; T11-N13 PolarHBondContact O-N 3.18Å; T11-N13 PolarHBondContact OG1-N 2.74Å
12C72.4Confident77.8Confident54 Ų5459.7 Ų59.737%0.36533%0.33SS..THydrogen-bonded Turntrans50.916-166.2-64.90000114S8 A9 Y14 E48S8-C12 PolarHBondContact O-N 2.86Å; A9-C12 PolarHBondContact O-N 3.39Å; C12-Y14 HydrophobicContact CB-CE2 4.33Å; C12-Y14 VanDerWaalsContact O-CD2 3.29Å; C12-Y14 WeakPolarHBondContact O-CD2 3.26Å; C12-Y14 WeakPolarHBondContact O-CE2 3.23Å; C12-E48 PolarHBondContact SG-OE2 3.24Å
13N77Confident77.7Confident77 Ų7763.1 Ų63.141%0.41235%0.347SS..  trans-96.8100.1178.4-173.8-9.5000109.9S8 T11 T15S8-N13 VanDerWaalsContact CB-O 3.28Å; S8-N13 WeakPolarHBondContact CB-O 3.42Å; S8-N13 PolarHBondContact OG-O 3.45Å; T11-N13 PolarHBondContact O-N 3.18Å; T11-N13 PolarHBondContact OG1-N 2.74Å; N13-T15 VanDerWaalsContact OD1-CB 3.27Å; N13-T15 WeakPolarHBondContact OD1-CB 3.28Å; N13-T15 PolarHBondContact OD1-N 3.34Å; N13-T15 VanDerWaalsContact OD1-N 3.12Å; N13-T15 PolarHBondContact OD1-OG1 2.87Å; N13-T15 VanDerWaalsContact OD1-OG1 3.11Å
14Y74.9Confident77.5Confident26 Ų2665 Ų6510%0.10235%0.353CS..  trans-98.92.6-177.6-53.5-63.7000113.2S8 C12 L16 C17 F18 F45S8-Y14 VanDerWaalsContact CB-CE1 3.47Å; C12-Y14 HydrophobicContact CB-CE2 4.33Å; C12-Y14 VanDerWaalsContact O-CD2 3.29Å; C12-Y14 WeakPolarHBondContact O-CD2 3.26Å; C12-Y14 WeakPolarHBondContact O-CE2 3.23Å; Y14-L16 VanDerWaalsContact C-N 3.27Å; Y14-L16 PolarHBondContact O-N 3.19Å; Y14-C17 WeakPolarHBondContact O-CA 3.38Å; Y14-C17 VanDerWaalsContact O-CB 3.29Å; Y14-C17 WeakPolarHBondContact O-CB 3.31Å; Y14-C17 PolarHBondContact O-N 3.12Å; Y14-F18 WeakPolarHBondContact O-CD2 3.37Å; Y14-F18 PolarHBondContact O-N 3.28Å; Y14-F45 AromaticContact CD1-CD1 3.64Å; Y14-F45 HydrophobicContact CD1-CD1 3.64Å; Y14-F45 AromaticContact CD1-CE1 2.99Å; Y14-F45 HydrophobicContact CD1-CE1 2.99Å; Y14-F45 AromaticContact CD1-CZ 3.81Å; Y14-F45 HydrophobicContact CD1-CZ 3.81Å; Y14-F45 AromaticContact CD2-CD1 3.22Å; Y14-F45 HydrophobicContact CD2-CD1 3.22Å; Y14-F45 AromaticContact CD2-CE1 3.57Å; Y14-F45 HydrophobicContact CD2-CE1 3.57Å; Y14-F45 HydrophobicContact CD2-CG 4.23Å; Y14-F45 AromaticContact CE1-CD1 3.89Å; Y14-F45 HydrophobicContact CE1-CD1 3.89Å; Y14-F45 AromaticContact CE1-CE1 3.29Å; Y14-F45 HydrophobicContact CE1-CE1 3.29Å; Y14-F45 HydrophobicContact CE1-CZ 4.34Å; Y14-F45 AromaticContact CE2-CD1 3.49Å; Y14-F45 HydrophobicContact CE2-CD1 3.49Å; Y14-F45 VanDerWaalsContact CE2-CD1 3.49Å; Y14-F45 AromaticContact CE2-CE1 3.84Å; Y14-F45 HydrophobicContact CE2-CE1 3.84Å; Y14-F45 AromaticContact CG-CD1 3.26Å; Y14-F45 HydrophobicContact CG-CD1 3.26Å; Y14-F45 AromaticContact CG-CE1 3.11Å; Y14-F45 HydrophobicContact CG-CE1 3.11Å; Y14-F45 HydrophobicContact CG-CG 4.29Å; Y14-F45 AromaticContact CG-CZ 4Å; Y14-F45 HydrophobicContact CG-CZ 4Å; Y14-F45 AromaticContact CZ-CD1 3.79Å; Y14-F45 AromaticContact CZ-CE1 3.68Å
15T77.5Confident77.6Confident102 Ų10265.5 Ų65.563%0.62636%0.355SS*.Hα-helixtrans-57.7-41.7177.3-53.10000111.3N13 C17 F18 S19N13-T15 VanDerWaalsContact OD1-CB 3.27Å; N13-T15 WeakPolarHBondContact OD1-CB 3.28Å; N13-T15 PolarHBondContact OD1-N 3.34Å; N13-T15 VanDerWaalsContact OD1-N 3.12Å; N13-T15 PolarHBondContact OD1-OG1 2.87Å; N13-T15 VanDerWaalsContact OD1-OG1 3.11Å; T15-C17 VanDerWaalsContact C-N 3.31Å; T15-C17 PolarHBondContact O-N 2.84Å; T15-F18 PolarHBondContact O-N 2.93Å; T15-S19 WeakPolarHBondContact O-CB 3.31Å; T15-S19 PolarHBondContact O-N 3.2Å
16L71.4Confident77.6Confident117 Ų11768.2 Ų68.261%0.61337%0.373SS*.Hα-helixtrans-62.2-38.7174.9-70.8173.9000112Y14 S19 K20Y14-L16 VanDerWaalsContact C-N 3.27Å; Y14-L16 PolarHBondContact O-N 3.19Å; L16-S19 PolarHBondContact O-N 3.34Å; L16-K20 PolarHBondContact O-N 3.03Å
17C72.6Confident77.2Confident1 Ų173.1 Ų73.11%0.00740%0.396CS..Hα-helixtrans-64.7-44.2176.7-58.40000111.8Y4 S8 Y14 T15 L21 F41Y4-C17 PolarHBondContact O-SG 3.31Å; S8-C17 PolarHBondContact OG-SG 3.47Å; Y14-C17 WeakPolarHBondContact O-CA 3.38Å; Y14-C17 VanDerWaalsContact O-CB 3.29Å; Y14-C17 WeakPolarHBondContact O-CB 3.31Å; Y14-C17 PolarHBondContact O-N 3.12Å; T15-C17 VanDerWaalsContact C-N 3.31Å; T15-C17 PolarHBondContact O-N 2.84Å; C17-L21 VanDerWaalsContact O-CB 3.24Å; C17-L21 WeakPolarHBondContact O-CB 3.46Å; C17-L21 PolarHBondContact O-N 2.92Å; C17-F41 HydrophobicContact CB-CE1 4.19Å; C17-F41 HydrophobicContact CB-CZ 3.81Å
18F75.6Confident77.2Confident65 Ų6574 Ų7429%0.28540%0.403SS..Hα-helixtrans-65.8-39.6176.7-68.7-63.5000112.2Y14 T15 L21 N22 F41 L42 F45Y14-F18 WeakPolarHBondContact O-CD2 3.37Å; Y14-F18 PolarHBondContact O-N 3.28Å; T15-F18 PolarHBondContact O-N 2.93Å; F18-L21 PolarHBondContact O-N 3.25Å; F18-N22 WeakPolarHBondContact O-CB 3.28Å; F18-N22 PolarHBondContact O-N 2.77Å; F18-N22 PolarHBondContact O-ND2 3.22Å; F18-F41 HydrophobicContact CD1-CD1 4.14Å; F18-F41 AromaticContact CD1-CE1 3.96Å; F18-F41 HydrophobicContact CD1-CE1 3.96Å; F18-F41 AromaticContact CE1-CD1 3.68Å; F18-F41 HydrophobicContact CE1-CD1 3.68Å; F18-F41 AromaticContact CE1-CE1 3.77Å; F18-F41 HydrophobicContact CE1-CE1 3.77Å; F18-F41 HydrophobicContact CZ-CD1 4.43Å; F18-F41 HydrophobicContact CZ-CE1 4.34Å; F18-L42 HydrophobicContact CE1-CD2 3.77Å; F18-L42 HydrophobicContact CZ-CD2 4Å; F18-F45 HydrophobicContact CE1-CD2 4.34Å; F18-F45 AromaticContact CZ-CD2 3.74Å; F18-F45 HydrophobicContact CZ-CD2 3.74Å; F18-F45 HydrophobicContact CZ-CE2 4.27Å; F18-F45 HydrophobicContact CZ-CG 4.23Å
19S79.2Confident77.3Confident60 Ų6075.8 Ų75.842%0.4241%0.412SS..Hα-helixtrans-59-50.81761790000111.4T15 L16 L21 N22 Q23T15-S19 WeakPolarHBondContact O-CB 3.31Å; T15-S19 PolarHBondContact O-N 3.2Å; L16-S19 PolarHBondContact O-N 3.34Å; S19-L21 PolarHBondContact O-N 3.41Å; S19-N22 PolarHBondContact O-N 3.09Å; S19-Q23 WeakPolarHBondContact O-CG 3.48Å; S19-Q23 PolarHBondContact O-N 2.96Å
20K74Confident77.3Confident94 Ų9481.9 Ų81.941%0.40944%0.442SS..Hα-helixtrans-63.5-40.5176.6-70.5-173176-172.20112.4Y4 L16 N22 Q23 H24Y4-K20 HydrophobicContact CD1-CD 4.17Å; Y4-K20 HydrophobicContact CE1-CB 4.3Å; Y4-K20 HydrophobicContact CE1-CD 3.36Å; Y4-K20 HydrophobicContact CE1-CG 4.46Å; L16-K20 PolarHBondContact O-N 3.03Å; K20-N22 VanDerWaalsContact C-N 3.29Å; K20-N22 PolarHBondContact O-N 2.69Å; K20-Q23 WeakPolarHBondContact O-CB 3.49Å; K20-Q23 PolarHBondContact O-N 3.26Å; K20-H24 PolarHBondContact O-CD2 3.38Å; K20-H24 PolarHBondContact O-N 2.87Å
21L75.1Confident77.7Confident11 Ų1180 Ų806%0.05843%0.429CS..Hα-helixtrans-61.9-38.9176.4-172.6141.4000111.9C17 F18 S19 Q23 H24 Y25 F37 R38 F41C17-L21 VanDerWaalsContact O-CB 3.24Å; C17-L21 WeakPolarHBondContact O-CB 3.46Å; C17-L21 PolarHBondContact O-N 2.92Å; F18-L21 PolarHBondContact O-N 3.25Å; S19-L21 PolarHBondContact O-N 3.41Å; L21-Q23 VanDerWaalsContact C-N 3.33Å; L21-H24 PolarHBondContact O-N 3.47Å; L21-Y25 HydrophobicContact CG-CD2 4.3Å; L21-Y25 PolarHBondContact O-N 3.04Å; L21-F37 HydrophobicContact CD1-CD1 4.05Å; L21-F37 HydrophobicContact CD1-CE1 3.31Å; L21-F37 HydrophobicContact CD1-CZ 4.12Å; L21-F37 HydrophobicContact CG-CE1 4.06Å; L21-R38 HydrophobicContact CD2-CG 3.97Å; L21-F41 HydrophobicContact CD1-CD1 3.74Å; L21-F41 HydrophobicContact CD1-CD2 4.44Å; L21-F41 HydrophobicContact CD1-CE1 3.93Å; L21-F41 HydrophobicContact CD1-CG 4.02Å; L21-F41 HydrophobicContact CD1-CZ 4.39Å
22N81Confident78Confident59 Ų5981.5 Ų81.532%0.31643%0.433SS..Hα-helixtrans-73.2-23.4177-70.7-22.3000113.4F18 S19 K20 Y25F18-N22 WeakPolarHBondContact O-CB 3.28Å; F18-N22 PolarHBondContact O-N 2.77Å; F18-N22 PolarHBondContact O-ND2 3.22Å; S19-N22 PolarHBondContact O-N 3.09Å; K20-N22 VanDerWaalsContact C-N 3.29Å; K20-N22 PolarHBondContact O-N 2.69Å; N22-Y25 CarbonylContact C-O 3.56Å; N22-Y25 WeakPolarHBondContact CA-O 3.5Å
23Q80.7Confident78.4Confident144 Ų14486.6 Ų86.667%0.67345%0.451SS*.Hα-helixtrans-70.3-40.2171-72.4171.8-15.700111.5S19 K20 L21S19-Q23 WeakPolarHBondContact O-CG 3.48Å; S19-Q23 PolarHBondContact O-N 2.96Å; K20-Q23 WeakPolarHBondContact O-CB 3.49Å; K20-Q23 PolarHBondContact O-N 3.26Å; L21-Q23 VanDerWaalsContact C-N 3.33Å
24H75.9Confident78.6Confident127 Ų12783.2 Ų83.259%0.58843%0.433SS*.Hα-helixtrans-81.8-35.3179.2-67.5-66.2000113.2K20 L21K20-H24 PolarHBondContact O-CD2 3.38Å; K20-H24 PolarHBondContact O-N 2.87Å; L21-H24 PolarHBondContact O-N 3.47Å
25Y78.7Confident79Confident83 Ų8386.4 Ų86.433%0.32545%0.449SS..SBendtrans-125.6109.3-179.7-57-69.6000108.8L21 N22 V34 F37 R38L21-Y25 HydrophobicContact CG-CD2 4.3Å; L21-Y25 PolarHBondContact O-N 3.04Å; N22-Y25 CarbonylContact C-O 3.56Å; N22-Y25 WeakPolarHBondContact CA-O 3.5Å; Y25-V34 HydrophobicContact CD1-CB 4.33Å; Y25-V34 HydrophobicContact CD1-CG1 4.04Å; Y25-V34 HydrophobicContact CD1-CG2 3.34Å; Y25-V34 HydrophobicContact CE1-CG2 3.67Å; Y25-V34 HydrophobicContact CG-CG1 3.97Å; Y25-V34 HydrophobicContact CG-CG2 4.12Å; Y25-F37 HydrophobicContact CD2-CD1 4.41Å; Y25-F37 HydrophobicContact CD2-CE1 4.22Å; Y25-F37 HydrophobicContact CE2-CD1 4.14Å; Y25-F37 AromaticContact CE2-CE1 3.83Å; Y25-F37 HydrophobicContact CE2-CE1 3.83Å; Y25-R38 PolarHBondContact O-NH2 3.46Å
26S79.9Confident79.2Confident56 Ų5685.4 Ų85.439%0.39244%0.44SS..  trans-59.3150.3179.876.20000111.2S28 D29 R38S26-S28 PolarHBondContact O-N 3.5Å; S26-S28 PolarHBondContact OG-OG 2.99Å; S26-D29 VanDerWaalsContact O-CB 3.28Å; S26-D29 WeakPolarHBondContact O-CB 3.46Å; S26-D29 PolarHBondContact O-N 3.49Å; S26-D29 PolarHBondContact OG-N 3.15Å; S26-R38 PolarHBondContact O-NH2 3.41Å
27Q76.8Confident79.6Confident150 Ų15082.4 Ų82.470%0.70142%0.422SS*.THydrogen-bonded Turntrans-58.5-31.4177.8-72.8-177.1-4.200112.6D29 R38Q27-D29 VanDerWaalsContact C-N 3.28Å; Q27-D29 PolarHBondContact O-N 3.22Å; Q27-R38 PolarHBondContact O-NH1 3.39Å
28S80.7Confident79.9Confident96 Ų9684.4 Ų84.467%0.67143%0.429SS*.THydrogen-bonded Turntrans-75.7-5.6175.244.40000115S26 L30S26-S28 PolarHBondContact O-N 3.5Å; S26-S28 PolarHBondContact OG-OG 2.99Å; S28-L30 PolarHBondContact O-N 3.26Å
29D81.2Confident80.2Confident43 Ų4385.2 Ų85.223%0.2344%0.436CS..  trans-74.6108.3175.9-167.2-24.1000109.8S26 Q27 T31 V34S26-D29 VanDerWaalsContact O-CB 3.28Å; S26-D29 WeakPolarHBondContact O-CB 3.46Å; S26-D29 PolarHBondContact O-N 3.49Å; S26-D29 PolarHBondContact OG-N 3.15Å; Q27-D29 VanDerWaalsContact C-N 3.28Å; Q27-D29 PolarHBondContact O-N 3.22Å; D29-T31 WeakPolarHBondContact OD1-CB 3.3Å; D29-T31 WeakPolarHBondContact OD1-CG2 3.37Å; D29-T31 PolarHBondContact OD1-N 3.03Å; D29-T31 PolarHBondContact OD1-OG1 2.94Å; D29-V34 HydrophobicContact CB-CG1 4.15Å
30L79.8Confident80.2Confident142 Ų14290.8 Ų90.874%0.74345%0.448SS*.  trans-107.416-177.4-61.7178.2000112.3S28 D32S28-L30 PolarHBondContact O-N 3.26Å; L30-D32 PolarHBondContact O-N 3.04Å
31T87.1Confident80.4Confident75 Ų7586.4 Ų86.446%0.4643%0.429SS..  trans-60.9140.2172.756.40000110D29 E33 V34 H35D29-T31 WeakPolarHBondContact OD1-CB 3.3Å; D29-T31 WeakPolarHBondContact OD1-CG2 3.37Å; D29-T31 PolarHBondContact OD1-N 3.03Å; D29-T31 PolarHBondContact OD1-OG1 2.94Å; T31-E33 PolarHBondContact O-N 2.97Å; T31-E33 VanDerWaalsContact O-N 3.13Å; T31-V34 PolarHBondContact O-N 3.49Å; T31-V34 VanDerWaalsContact O-N 3.09Å; T31-V34 WeakPolarHBondContact OG1-CB 3.38Å; T31-V34 WeakPolarHBondContact OG1-CG2 3.21Å; T31-H35 PolarHBondContact O-N 3.49Å
32D85.4Confident80.6Confident130 Ų13090.3 Ų90.370%0.69545%0.449SS*.Hα-helixtrans-55.3-35.8-177.6-73.2-28.1000111.8L30 N36L30-D32 PolarHBondContact O-N 3.04Å; D32-N36 WeakPolarHBondContact O-CB 3.48Å; D32-N36 PolarHBondContact O-N 2.9Å; D32-N36 PolarHBondContact O-ND2 3.43Å
33E82.5Confident80.5Confident160 Ų16091.3 Ų91.375%0.74846%0.458SS*.Hα-helixtrans-63.2-49.9177.8-173.8173.7-176.100111.9T31 N36 F37T31-E33 PolarHBondContact O-N 2.97Å; T31-E33 VanDerWaalsContact O-N 3.13Å; E33-N36 PolarHBondContact O-N 3.46Å; E33-F37 VanDerWaalsContact O-CB 3.25Å; E33-F37 WeakPolarHBondContact O-CB 3.34Å; E33-F37 PolarHBondContact O-N 3.28Å
34V80.7Confident80.2Confident7 Ų785.8 Ų85.84%0.04243%0.433CS..Hα-helixtrans-66.6-41.4179.8173.50000111Y25 D29 T31 F37 R38Y25-V34 HydrophobicContact CD1-CB 4.33Å; Y25-V34 HydrophobicContact CD1-CG1 4.04Å; Y25-V34 HydrophobicContact CD1-CG2 3.34Å; Y25-V34 HydrophobicContact CE1-CG2 3.67Å; Y25-V34 HydrophobicContact CG-CG1 3.97Å; Y25-V34 HydrophobicContact CG-CG2 4.12Å; D29-V34 HydrophobicContact CB-CG1 4.15Å; T31-V34 PolarHBondContact O-N 3.49Å; T31-V34 VanDerWaalsContact O-N 3.09Å; T31-V34 WeakPolarHBondContact OG1-CB 3.38Å; T31-V34 WeakPolarHBondContact OG1-CG2 3.21Å; V34-F37 PolarHBondContact O-N 2.92Å; V34-R38 WeakPolarHBondContact O-CB 3.38Å; V34-R38 WeakPolarHBondContact O-CG 3.49Å; V34-R38 PolarHBondContact O-N 3.42Å
35H82.4Confident80.1Confident92 Ų9281.2 Ų81.243%0.42641%0.411SS..Hα-helixtrans-61.7-49.5176.4-17375.5000111.6T31 F37 R38 L39T31-H35 PolarHBondContact O-N 3.49Å; H35-F37 VanDerWaalsContact C-N 3.31Å; H35-F37 PolarHBondContact O-N 3.27Å; H35-R38 PolarHBondContact O-N 3.13Å; H35-L39 VanDerWaalsContact NE2-CD1 3.34Å; H35-L39 WeakPolarHBondContact NE2-CD1 3.48Å; H35-L39 PolarHBondContact O-N 3.1Å
36N82.1Confident79.7Confident82 Ų8282.4 Ų82.444%0.43943%0.427SS..Hα-helixtrans-60.6-41.4176.7-80.4-50.4000112D32 E33 L39 R40D32-N36 WeakPolarHBondContact O-CB 3.48Å; D32-N36 PolarHBondContact O-N 2.9Å; D32-N36 PolarHBondContact O-ND2 3.43Å; E33-N36 PolarHBondContact O-N 3.46Å; N36-L39 PolarHBondContact O-N 3.42Å; N36-R40 WeakPolarHBondContact O-CB 3.33Å; N36-R40 VanDerWaalsContact O-CG 3.3Å; N36-R40 WeakPolarHBondContact O-CG 3.41Å; N36-R40 PolarHBondContact O-N 3.11Å
37F79.3Confident79.6Confident53 Ų5381.6 Ų81.623%0.23242%0.421CS..Hα-helixtrans-60.5-47.4175.7176.6-104.4000111.5M1 L21 Y25 E33 V34 H35 R40 F41M1-F37 HydrophobicContact CB-CE2 3.85Å; M1-F37 HydrophobicContact CB-CZ 4.03Å; M1-F37 HydrophobicContact CE-CD2 3.46Å; M1-F37 VanDerWaalsContact CE-CD2 3.46Å; M1-F37 HydrophobicContact CE-CE2 3.21Å; M1-F37 HydrophobicContact CE-CG 4.42Å; M1-F37 HydrophobicContact CE-CZ 4.02Å; L21-F37 HydrophobicContact CD1-CD1 4.05Å; L21-F37 HydrophobicContact CD1-CE1 3.31Å; L21-F37 HydrophobicContact CD1-CZ 4.12Å; L21-F37 HydrophobicContact CG-CE1 4.06Å; Y25-F37 HydrophobicContact CD2-CD1 4.41Å; Y25-F37 HydrophobicContact CD2-CE1 4.22Å; Y25-F37 HydrophobicContact CE2-CD1 4.14Å; Y25-F37 AromaticContact CE2-CE1 3.83Å; Y25-F37 HydrophobicContact CE2-CE1 3.83Å; E33-F37 VanDerWaalsContact O-CB 3.25Å; E33-F37 WeakPolarHBondContact O-CB 3.34Å; E33-F37 PolarHBondContact O-N 3.28Å; V34-F37 PolarHBondContact O-N 2.92Å; H35-F37 VanDerWaalsContact C-N 3.31Å; H35-F37 PolarHBondContact O-N 3.27Å; F37-R40 PolarHBondContact O-N 3.04Å; F37-F41 WeakPolarHBondContact O-CB 3.44Å; F37-F41 PolarHBondContact O-N 2.76Å
38R80.3Confident79.8Confident44 Ų4479.8 Ų79.817%0.16641%0.413CS..Hα-helixtrans-62-44.4177-78.2176.9169.3179.42112.7L21 Y25 S26 Q27 V34 H35 F41 L42L21-R38 HydrophobicContact CD2-CG 3.97Å; Y25-R38 PolarHBondContact O-NH2 3.46Å; S26-R38 PolarHBondContact O-NH2 3.41Å; Q27-R38 PolarHBondContact O-NH1 3.39Å; V34-R38 WeakPolarHBondContact O-CB 3.38Å; V34-R38 WeakPolarHBondContact O-CG 3.49Å; V34-R38 PolarHBondContact O-N 3.42Å; H35-R38 PolarHBondContact O-N 3.13Å; R38-F41 WeakPolarHBondContact O-CB 3.49Å; R38-F41 PolarHBondContact O-N 2.96Å; R38-L42 WeakPolarHBondContact O-CB 3.2Å; R38-L42 WeakPolarHBondContact O-CG 3.44Å; R38-L42 PolarHBondContact O-N 3.31Å
39L81.8Confident80.1Confident81 Ų8180 Ų8042%0.42441%0.41SS..Hα-helixtrans-61.4-45.2177-76.9178.9000112H35 N36 F41 L42 T43H35-L39 VanDerWaalsContact NE2-CD1 3.34Å; H35-L39 WeakPolarHBondContact NE2-CD1 3.48Å; H35-L39 PolarHBondContact O-N 3.1Å; N36-L39 PolarHBondContact O-N 3.42Å; L39-F41 VanDerWaalsContact C-N 3.28Å; L39-F41 PolarHBondContact O-N 3.28Å; L39-L42 PolarHBondContact O-N 3.42Å; L39-T43 WeakPolarHBondContact O-CB 3.46Å; L39-T43 PolarHBondContact O-N 2.96Å; L39-T43 PolarHBondContact O-OG1 2.88Å
40R78.6Confident80.2Confident178 Ų17882.7 Ų82.767%0.67242%0.42SS*.Hα-helixtrans-59.8-42.8174.5-72.8175.5-176.2-170.83.3111N36 F37 T43 L44N36-R40 WeakPolarHBondContact O-CB 3.33Å; N36-R40 VanDerWaalsContact O-CG 3.3Å; N36-R40 WeakPolarHBondContact O-CG 3.41Å; N36-R40 PolarHBondContact O-N 3.11Å; F37-R40 PolarHBondContact O-N 3.04Å; R40-T43 PolarHBondContact O-N 3.42Å; R40-L44 WeakPolarHBondContact O-CG 3.5Å; R40-L44 PolarHBondContact O-N 3.17Å
41F78.4Confident80.4Confident2 Ų276 Ų761%0.00938%0.384CS..Hα-helixtrans-60.6-53.7177.8-159.2-114.2000111.2M1 L5 C17 F18 L21 F37 R38 L39 T43 L44 F45M1-F41 HydrophobicContact CB-CD2 4.4Å; M1-F41 HydrophobicContact CB-CE2 4.42Å; M1-F41 HydrophobicContact CE-CD2 4.28Å; M1-F41 HydrophobicContact CG-CD2 3.59Å; M1-F41 HydrophobicContact CG-CE2 3.73Å; M1-F41 HydrophobicContact SD-CD2 3.96Å; L5-F41 HydrophobicContact CG-CE2 4.34Å; C17-F41 HydrophobicContact CB-CE1 4.19Å; C17-F41 HydrophobicContact CB-CZ 3.81Å; F18-F41 HydrophobicContact CD1-CD1 4.14Å; F18-F41 AromaticContact CD1-CE1 3.96Å; F18-F41 HydrophobicContact CD1-CE1 3.96Å; F18-F41 AromaticContact CE1-CD1 3.68Å; F18-F41 HydrophobicContact CE1-CD1 3.68Å; F18-F41 AromaticContact CE1-CE1 3.77Å; F18-F41 HydrophobicContact CE1-CE1 3.77Å; F18-F41 HydrophobicContact CZ-CD1 4.43Å; F18-F41 HydrophobicContact CZ-CE1 4.34Å; L21-F41 HydrophobicContact CD1-CD1 3.74Å; L21-F41 HydrophobicContact CD1-CD2 4.44Å; L21-F41 HydrophobicContact CD1-CE1 3.93Å; L21-F41 HydrophobicContact CD1-CG 4.02Å; L21-F41 HydrophobicContact CD1-CZ 4.39Å; F37-F41 WeakPolarHBondContact O-CB 3.44Å; F37-F41 PolarHBondContact O-N 2.76Å; R38-F41 WeakPolarHBondContact O-CB 3.49Å; R38-F41 PolarHBondContact O-N 2.96Å; L39-F41 VanDerWaalsContact C-N 3.28Å; L39-F41 PolarHBondContact O-N 3.28Å; F41-T43 VanDerWaalsContact C-N 3.31Å; F41-T43 PolarHBondContact O-N 3.15Å; F41-L44 WeakPolarHBondContact O-CB 3.48Å; F41-L44 PolarHBondContact O-N 3.4Å; F41-L44 VanDerWaalsContact O-N 3.15Å; F41-F45 AromaticContact CD1-CD2 3.97Å; F41-F45 HydrophobicContact CD1-CD2 3.97Å; F41-F45 AromaticContact CD1-CE2 3.37Å; F41-F45 HydrophobicContact CD1-CE2 3.37Å; F41-F45 HydrophobicContact CD1-CZ 4.38Å; F41-F45 AromaticContact CD2-CE2 3.78Å; F41-F45 HydrophobicContact CD2-CE2 3.78Å; F41-F45 HydrophobicContact CD2-CZ 4.43Å; F41-F45 HydrophobicContact CE1-CD2 4.03Å; F41-F45 AromaticContact CE1-CE2 3.13Å; F41-F45 HydrophobicContact CE1-CE2 3.13Å; F41-F45 AromaticContact CE1-CZ 3.75Å; F41-F45 HydrophobicContact CE1-CZ 3.75Å; F41-F45 AromaticContact CE2-CE2 3.56Å; F41-F45 HydrophobicContact CE2-CE2 3.56Å; F41-F45 AromaticContact CE2-CZ 3.8Å; F41-F45 HydrophobicContact CE2-CZ 3.8Å; F41-F45 HydrophobicContact CG-CD2 4.36Å; F41-F45 AromaticContact CG-CE2 3.68Å; F41-F45 HydrophobicContact CG-CE2 3.68Å; F41-F45 HydrophobicContact CZ-CD2 4.45Å; F41-F45 AromaticContact CZ-CE2 3.22Å; F41-F45 HydrophobicContact CZ-CE2 3.22Å; F41-F45 AromaticContact CZ-CZ 3.41Å; F41-F45 HydrophobicContact CZ-CZ 3.41Å; F41-F45 VanDerWaalsContact CZ-CZ 3.41Å; F41-F45 WeakPolarHBondContact O-CD2 3.37Å; F41-F45 WeakPolarHBondContact O-CE2 3.29Å; F41-F45 PolarHBondContact O-N 2.96Å
42L78.8Confident80.4Confident92 Ų9275 Ų7548%0.48238%0.377SS..Hα-helixtrans-59.2-40.3178.6-71.4170.9000112.4F18 R38 L39 L44 F45 V46F18-L42 HydrophobicContact CE1-CD2 3.77Å; F18-L42 HydrophobicContact CZ-CD2 4Å; R38-L42 WeakPolarHBondContact O-CB 3.2Å; R38-L42 WeakPolarHBondContact O-CG 3.44Å; R38-L42 PolarHBondContact O-N 3.31Å; L39-L42 PolarHBondContact O-N 3.42Å; L42-L44 PolarHBondContact O-N 3.22Å; L42-F45 PolarHBondContact O-N 3.4Å; L42-F45 VanDerWaalsContact O-N 3.1Å; L42-V46 WeakPolarHBondContact O-CG2 3.5Å; L42-V46 PolarHBondContact O-N 3.43Å
43T79.4Confident80.5Confident81 Ų8171.4 Ų71.450%0.49736%0.361SS..Hα-helixtrans-60.5-34179.1-58.80000112.4L39 R40 F41L39-T43 WeakPolarHBondContact O-CB 3.46Å; L39-T43 PolarHBondContact O-N 2.96Å; L39-T43 PolarHBondContact O-OG1 2.88Å; R40-T43 PolarHBondContact O-N 3.42Å; F41-T43 VanDerWaalsContact C-N 3.31Å; F41-T43 PolarHBondContact O-N 3.15Å
44L74.8Confident80.8Confident27 Ų2765.3 Ų65.314%0.14133%0.331CS..Hα-helixtrans-70.9-36.1176.8-69.7171000111.8M1 L5 R40 F41 L42 V46 V51 Y54M1-L44 HydrophobicContact SD-CD1 3.92Å; L5-L44 HydrophobicContact CD1-CD1 3.76Å; R40-L44 WeakPolarHBondContact O-CG 3.5Å; R40-L44 PolarHBondContact O-N 3.17Å; F41-L44 WeakPolarHBondContact O-CB 3.48Å; F41-L44 PolarHBondContact O-N 3.4Å; F41-L44 VanDerWaalsContact O-N 3.15Å; L42-L44 PolarHBondContact O-N 3.22Å; L44-V46 VanDerWaalsContact C-N 3.31Å; L44-V46 PolarHBondContact O-N 2.87Å; L44-V51 WeakPolarHBondContact O-CG2 3.28Å; L44-Y54 HydrophobicContact CD1-CD1 4.31Å; L44-Y54 HydrophobicContact CD1-CD2 4.35Å; L44-Y54 HydrophobicContact CD1-CE1 4.24Å; L44-Y54 HydrophobicContact CD1-CE2 4.29Å; L44-Y54 HydrophobicContact CD1-CG 4.33Å; L44-Y54 HydrophobicContact CD2-CD2 3.87Å; L44-Y54 HydrophobicContact CD2-CG 3.86Å
45F73.2Confident81.2Confident32 Ų3265.2 Ų65.214%0.1433%0.33CS..Hα-helixtrans-77.8-8.4-178.1-68.9-61.1000115.7L5 Y14 F18 F41 L42 S47 V51L5-F45 HydrophobicContact CD2-CD1 4.37Å; L5-F45 HydrophobicContact CD2-CE1 3.34Å; L5-F45 HydrophobicContact CD2-CE2 4.02Å; L5-F45 HydrophobicContact CD2-CZ 3.18Å; L5-F45 HydrophobicContact CG-CZ 4.13Å; Y14-F45 AromaticContact CD1-CD1 3.64Å; Y14-F45 HydrophobicContact CD1-CD1 3.64Å; Y14-F45 AromaticContact CD1-CE1 2.99Å; Y14-F45 HydrophobicContact CD1-CE1 2.99Å; Y14-F45 AromaticContact CD1-CZ 3.81Å; Y14-F45 HydrophobicContact CD1-CZ 3.81Å; Y14-F45 AromaticContact CD2-CD1 3.22Å; Y14-F45 HydrophobicContact CD2-CD1 3.22Å; Y14-F45 AromaticContact CD2-CE1 3.57Å; Y14-F45 HydrophobicContact CD2-CE1 3.57Å; Y14-F45 HydrophobicContact CD2-CG 4.23Å; Y14-F45 AromaticContact CE1-CD1 3.89Å; Y14-F45 HydrophobicContact CE1-CD1 3.89Å; Y14-F45 AromaticContact CE1-CE1 3.29Å; Y14-F45 HydrophobicContact CE1-CE1 3.29Å; Y14-F45 HydrophobicContact CE1-CZ 4.34Å; Y14-F45 AromaticContact CE2-CD1 3.49Å; Y14-F45 HydrophobicContact CE2-CD1 3.49Å; Y14-F45 VanDerWaalsContact CE2-CD1 3.49Å; Y14-F45 AromaticContact CE2-CE1 3.84Å; Y14-F45 HydrophobicContact CE2-CE1 3.84Å; Y14-F45 AromaticContact CG-CD1 3.26Å; Y14-F45 HydrophobicContact CG-CD1 3.26Å; Y14-F45 AromaticContact CG-CE1 3.11Å; Y14-F45 HydrophobicContact CG-CE1 3.11Å; Y14-F45 HydrophobicContact CG-CG 4.29Å; Y14-F45 AromaticContact CG-CZ 4Å; Y14-F45 HydrophobicContact CG-CZ 4Å; Y14-F45 AromaticContact CZ-CD1 3.79Å; Y14-F45 AromaticContact CZ-CE1 3.68Å; F18-F45 HydrophobicContact CE1-CD2 4.34Å; F18-F45 AromaticContact CZ-CD2 3.74Å; F18-F45 HydrophobicContact CZ-CD2 3.74Å; F18-F45 HydrophobicContact CZ-CE2 4.27Å; F18-F45 HydrophobicContact CZ-CG 4.23Å; F41-F45 AromaticContact CD1-CD2 3.97Å; F41-F45 HydrophobicContact CD1-CD2 3.97Å; F41-F45 AromaticContact CD1-CE2 3.37Å; F41-F45 HydrophobicContact CD1-CE2 3.37Å; F41-F45 HydrophobicContact CD1-CZ 4.38Å; F41-F45 AromaticContact CD2-CE2 3.78Å; F41-F45 HydrophobicContact CD2-CE2 3.78Å; F41-F45 HydrophobicContact CD2-CZ 4.43Å; F41-F45 HydrophobicContact CE1-CD2 4.03Å; F41-F45 AromaticContact CE1-CE2 3.13Å; F41-F45 HydrophobicContact CE1-CE2 3.13Å; F41-F45 AromaticContact CE1-CZ 3.75Å; F41-F45 HydrophobicContact CE1-CZ 3.75Å; F41-F45 AromaticContact CE2-CE2 3.56Å; F41-F45 HydrophobicContact CE2-CE2 3.56Å; F41-F45 AromaticContact CE2-CZ 3.8Å; F41-F45 HydrophobicContact CE2-CZ 3.8Å; F41-F45 HydrophobicContact CG-CD2 4.36Å; F41-F45 AromaticContact CG-CE2 3.68Å; F41-F45 HydrophobicContact CG-CE2 3.68Å; F41-F45 HydrophobicContact CZ-CD2 4.45Å; F41-F45 AromaticContact CZ-CE2 3.22Å; F41-F45 HydrophobicContact CZ-CE2 3.22Å; F41-F45 AromaticContact CZ-CZ 3.41Å; F41-F45 HydrophobicContact CZ-CZ 3.41Å; F41-F45 VanDerWaalsContact CZ-CZ 3.41Å; F41-F45 WeakPolarHBondContact O-CD2 3.37Å; F41-F45 WeakPolarHBondContact O-CE2 3.29Å; F41-F45 PolarHBondContact O-N 2.96Å; L42-F45 PolarHBondContact O-N 3.4Å; L42-F45 VanDerWaalsContact O-N 3.1Å; F45-S47 PolarHBondContact O-N 2.89Å; F45-S47 VanDerWaalsContact O-N 3.13Å; F45-V51 HydrophobicContact CD1-CG2 4.2Å; F45-V51 HydrophobicContact CE1-CG2 4.39Å
46V71.7Confident81.7Confident108 Ų10868 Ų6866%0.65534%0.341SS*.THydrogen-bonded Turntrans-59.6-26.3179.1-178.90000111.8L42 L44L42-V46 WeakPolarHBondContact O-CG2 3.5Å; L42-V46 PolarHBondContact O-N 3.43Å; L44-V46 VanDerWaalsContact C-N 3.31Å; L44-V46 PolarHBondContact O-N 2.87Å
47S77.4Confident82.1Confident39 Ų3970.8 Ų70.827%0.27335%0.352SS..  trans-150.2143.9169.2730000113.1F45 T49 K50 V51F45-S47 PolarHBondContact O-N 2.89Å; F45-S47 VanDerWaalsContact O-N 3.13Å; S47-T49 PolarHBondContact O-N 3.11Å; S47-K50 WeakPolarHBondContact O-CB 3.38Å; S47-K50 PolarHBondContact O-N 3.12Å; S47-K50 WeakPolarHBondContact OG-CB 3.27Å; S47-K50 VanDerWaalsContact OG-CG 3.3Å; S47-K50 WeakPolarHBondContact OG-CG 3.34Å; S47-K50 PolarHBondContact OG-N 3.3Å; S47-K50 VanDerWaalsContact OG-N 3.12Å; S47-V51 PolarHBondContact O-N 3.29Å
48E80.3Confident82.5Confident112 Ų11276.7 Ų76.752%0.52337%0.372SS..Hα-helixtrans-53.7-39.9170.6-173.8-172.3150.200111.4C12 K50 V51 N52C12-E48 PolarHBondContact SG-OE2 3.24Å; E48-K50 VanDerWaalsContact C-N 3.31Å; E48-K50 PolarHBondContact O-N 2.97Å; E48-V51 PolarHBondContact O-N 2.91Å; E48-N52 WeakPolarHBondContact O-CB 3.29Å; E48-N52 PolarHBondContact O-N 3.35Å; E48-N52 PolarHBondContact O-ND2 3.43Å
49T86.1Confident83.1Confident99 Ų9974.9 Ų74.961%0.60737%0.365SS*.Hα-helixtrans-56.1-44175.5-44.60000112.1S47 N52 C53S47-T49 PolarHBondContact O-N 3.11Å; T49-N52 PolarHBondContact O-N 2.92Å; T49-C53 WeakPolarHBondContact O-CB 3.41Å; T49-C53 PolarHBondContact O-N 3.46Å; T49-C53 PolarHBondContact O-SG 2.92Å; T49-C53 VanDerWaalsContact O-SG 3.35Å
50K84.8Confident83.6Confident101 Ų10175.3 Ų75.344%0.43936%0.364SS..Hα-helixtrans-66.6-41.1178.7-79.7177.3178-1770111.8S47 E48 N52 Y54S47-K50 WeakPolarHBondContact O-CB 3.38Å; S47-K50 PolarHBondContact O-N 3.12Å; S47-K50 WeakPolarHBondContact OG-CB 3.27Å; S47-K50 VanDerWaalsContact OG-CG 3.3Å; S47-K50 WeakPolarHBondContact OG-CG 3.34Å; S47-K50 PolarHBondContact OG-N 3.3Å; S47-K50 VanDerWaalsContact OG-N 3.12Å; E48-K50 VanDerWaalsContact C-N 3.31Å; E48-K50 PolarHBondContact O-N 2.97Å; K50-N52 VanDerWaalsContact C-N 3.35Å; K50-Y54 VanDerWaalsContact O-CB 3.28Å; K50-Y54 WeakPolarHBondContact O-CB 3.46Å; K50-Y54 PolarHBondContact O-N 3.06Å
51V83.8Confident84.3Confident0 Ų070.8 Ų70.80%036%0.358CS..Hα-helixtrans-59.5-48.3173.8177.10000110.1L5 A9 L44 F45 S47 E48 Y54 L55L5-V51 HydrophobicContact CD2-CG1 4.06Å; L5-V51 HydrophobicContact CD2-CG2 4.25Å; A9-V51 HydrophobicContact CB-CG1 4.23Å; L44-V51 WeakPolarHBondContact O-CG2 3.28Å; F45-V51 HydrophobicContact CD1-CG2 4.2Å; F45-V51 HydrophobicContact CE1-CG2 4.39Å; S47-V51 PolarHBondContact O-N 3.29Å; E48-V51 PolarHBondContact O-N 2.91Å; V51-Y54 WeakPolarHBondContact O-CB 3.46Å; V51-Y54 PolarHBondContact O-N 3.09Å; V51-L55 HydrophobicContact CG1-CD1 3.83Å; V51-L55 HydrophobicContact CG1-CG 4.24Å; V51-L55 WeakPolarHBondContact O-CB 3.45Å; V51-L55 VanDerWaalsContact O-CG 3.31Å; V51-L55 WeakPolarHBondContact O-CG 3.03Å; V51-L55 PolarHBondContact O-N 2.96Å
52N85.8Confident84.9Confident56 Ų5672.7 Ų72.730%0.29937%0.374SS..Hα-helixtrans-63.9-43.9-179.2-77.2-28.6000112.8E48 T49 K50 L55 K56E48-N52 WeakPolarHBondContact O-CB 3.29Å; E48-N52 PolarHBondContact O-N 3.35Å; E48-N52 PolarHBondContact O-ND2 3.43Å; T49-N52 PolarHBondContact O-N 2.92Å; K50-N52 VanDerWaalsContact C-N 3.35Å; N52-L55 PolarHBondContact O-N 3.2Å; N52-K56 WeakPolarHBondContact O-CB 3.36Å; N52-K56 WeakPolarHBondContact O-CG 3.37Å; N52-K56 PolarHBondContact O-N 2.93Å
53C89.1Confident85.4Confident53 Ų5372.5 Ų72.536%0.35837%0.367SS..Hα-helixtrans-59.7-48.2173.3-740000110.9T49 L55 K56 E57T49-C53 WeakPolarHBondContact O-CB 3.41Å; T49-C53 PolarHBondContact O-N 3.46Å; T49-C53 PolarHBondContact O-SG 2.92Å; T49-C53 VanDerWaalsContact O-SG 3.35Å; C53-L55 VanDerWaalsContact C-N 3.34Å; C53-L55 PolarHBondContact O-N 3.33Å; C53-K56 PolarHBondContact O-N 3.3Å; C53-E57 VanDerWaalsContact O-CB 3.26Å; C53-E57 WeakPolarHBondContact O-CB 3.48Å; C53-E57 WeakPolarHBondContact O-CG 3.23Å; C53-E57 PolarHBondContact O-N 3.49Å
54Y88.4Confident85.9Confident33 Ų3375.8 Ų75.813%0.12938%0.375CS..Hα-helixtrans-58.9-44.8178176.8-97.9000112.7H2 L5 L44 K50 V51 R58 W59H2-Y54 AromaticContact CE1-CZ 3.71Å; H2-Y54 PolarHBondContact CE1-OH 3.42Å; H2-Y54 AromaticContact ND1-CE1 3.62Å; H2-Y54 AromaticContact ND1-CZ 3.58Å; H2-Y54 PolarHBondContact ND1-OH 2.83Å; L5-Y54 HydrophobicContact CD1-CD1 3.99Å; L5-Y54 HydrophobicContact CD1-CE1 3.69Å; L44-Y54 HydrophobicContact CD1-CD1 4.31Å; L44-Y54 HydrophobicContact CD1-CD2 4.35Å; L44-Y54 HydrophobicContact CD1-CE1 4.24Å; L44-Y54 HydrophobicContact CD1-CE2 4.29Å; L44-Y54 HydrophobicContact CD1-CG 4.33Å; L44-Y54 HydrophobicContact CD2-CD2 3.87Å; L44-Y54 HydrophobicContact CD2-CG 3.86Å; K50-Y54 VanDerWaalsContact O-CB 3.28Å; K50-Y54 WeakPolarHBondContact O-CB 3.46Å; K50-Y54 PolarHBondContact O-N 3.06Å; V51-Y54 WeakPolarHBondContact O-CB 3.46Å; V51-Y54 PolarHBondContact O-N 3.09Å; Y54-R58 HydrophobicContact CD2-CB 4.29Å; Y54-R58 HydrophobicContact CD2-CG 4.48Å; Y54-R58 HydrophobicContact CE2-CB 4.33Å; Y54-R58 WeakPolarHBondContact O-CB 3.49Å; Y54-R58 PolarHBondContact O-N 3.45Å; Y54-W59 HydrophobicContact CE1-CB 4.43Å; Y54-W59 PolarHBondContact O-N 2.93Å; Y54-W59 VanDerWaalsContact O-N 3.09Å
55L89.6Confident86.7Confident5 Ų579 Ų793%0.02639%0.392CS..Iπ-helixtrans-63.5-48179.5-72.2175.5000111.2L5 E6 A9 V51 N52 C53 W59 F60L5-L55 HydrophobicContact CB-CD2 4.14Å; E6-L55 HydrophobicContact CB-CD2 4.34Å; A9-L55 HydrophobicContact CB-CD1 3.55Å; V51-L55 HydrophobicContact CG1-CD1 3.83Å; V51-L55 HydrophobicContact CG1-CG 4.24Å; V51-L55 WeakPolarHBondContact O-CB 3.45Å; V51-L55 VanDerWaalsContact O-CG 3.31Å; V51-L55 WeakPolarHBondContact O-CG 3.03Å; V51-L55 PolarHBondContact O-N 2.96Å; N52-L55 PolarHBondContact O-N 3.2Å; C53-L55 VanDerWaalsContact C-N 3.34Å; C53-L55 PolarHBondContact O-N 3.33Å; L55-W59 HydrophobicContact CD2-CB 4.11Å; L55-W59 HydrophobicContact CD2-CG 4.17Å; L55-W59 PolarHBondContact O-N 3.32Å; L55-F60 HydrophobicContact CB-CD2 4.31Å; L55-F60 HydrophobicContact CB-CE1 4.47Å; L55-F60 HydrophobicContact CB-CE2 3.78Å; L55-F60 HydrophobicContact CB-CZ 3.88Å; L55-F60 HydrophobicContact CD1-CZ 4.36Å; L55-F60 HydrophobicContact CD2-CE1 4.44Å; L55-F60 HydrophobicContact CD2-CZ 4.45Å; L55-F60 HydrophobicContact CG-CZ 4.47Å; L55-F60 WeakPolarHBondContact O-CB 3.27Å; L55-F60 VanDerWaalsContact O-CD2 3.25Å; L55-F60 WeakPolarHBondContact O-CD2 3.49Å; L55-F60 VanDerWaalsContact O-CG 3.26Å; L55-F60 WeakPolarHBondContact O-CG 3.3Å; L55-F60 PolarHBondContact O-N 3.38Å
56K91.5Very high87.2Confident151 Ų15180 Ų8066%0.65740%0.401SS*.Iπ-helixtrans-69.8-43.6-178-71.9179.9178.9-179.50113.6N52 C53 F60 P61N52-K56 WeakPolarHBondContact O-CB 3.36Å; N52-K56 WeakPolarHBondContact O-CG 3.37Å; N52-K56 PolarHBondContact O-N 2.93Å; C53-K56 PolarHBondContact O-N 3.3Å; K56-F60 HydrophobicContact CG-CD2 4.48Å; K56-P61 VanDerWaalsContact O-CD 3.28Å; K56-P61 WeakPolarHBondContact O-CD 3.48Å; K56-P61 WeakPolarHBondContact O-CG 3.44Å
57E91.6Very high87.9Confident140 Ų14078.6 Ų78.665%0.65439%0.386SS*.Iπ-helixtrans-88.7-28.9-170.9-64.4173.5-16600113C53C53-E57 VanDerWaalsContact O-CB 3.26Å; C53-E57 WeakPolarHBondContact O-CB 3.48Å; C53-E57 WeakPolarHBondContact O-CG 3.23Å; C53-E57 PolarHBondContact O-N 3.49Å
58R87.9Confident88.3Confident176 Ų17681.8 Ų81.866%0.66440%0.395SS*.Iπ-helixtrans-117.1-55.8-174.2-61.2-171.4176.9-170.4-1.9112.8Y54 A62Y54-R58 HydrophobicContact CD2-CB 4.29Å; Y54-R58 HydrophobicContact CD2-CG 4.48Å; Y54-R58 HydrophobicContact CE2-CB 4.33Å; Y54-R58 WeakPolarHBondContact O-CB 3.49Å; Y54-R58 PolarHBondContact O-N 3.45Å; R58-A62 VanDerWaalsContact O-CB 3.31Å; R58-A62 WeakPolarHBondContact O-CB 3.43Å; R58-A62 PolarHBondContact O-N 3.02Å
59W91.7Very high88.5Confident6 Ų683.5 Ų83.52%0.02340%0.4CS..Iπ-helixtrans-71.9-57.8-170.5173.6-124.7000112.6H2 L3 E6 Y54 L55 A62 R63 V66 F67H2-W59 HydrophobicContact CB-CD2 3.4Å; H2-W59 VanDerWaalsContact CB-CD2 3.4Å; H2-W59 HydrophobicContact CB-CE3 3.45Å; H2-W59 VanDerWaalsContact CB-CE3 3.45Å; H2-W59 HydrophobicContact CB-CG 3.97Å; H2-W59 HydrophobicContact CB-CH2 3.95Å; H2-W59 HydrophobicContact CB-CZ2 3.91Å; H2-W59 HydrophobicContact CB-CZ3 3.72Å; H2-W59 AromaticContact CG-CD2 3.85Å; H2-W59 AromaticContact CG-CE3 3.45Å; H2-W59 VanDerWaalsContact CG-CE3 3.45Å; H2-W59 AromaticContact CG-CZ3 3.8Å; H2-W59 AromaticContact ND1-CD2 3.93Å; H2-W59 AromaticContact ND1-CE3 3.54Å; L3-W59 HydrophobicContact CD2-CH2 4.25Å; L3-W59 HydrophobicContact CD2-CZ2 3.69Å; E6-W59 PolarHBondContact OE2-NE1 3.39Å; Y54-W59 HydrophobicContact CE1-CB 4.43Å; Y54-W59 PolarHBondContact O-N 2.93Å; Y54-W59 VanDerWaalsContact O-N 3.09Å; L55-W59 HydrophobicContact CD2-CB 4.11Å; L55-W59 HydrophobicContact CD2-CG 4.17Å; L55-W59 PolarHBondContact O-N 3.32Å; W59-A62 CarbonylContact O-C 3.55Å; W59-A62 PolarHBondContact O-N 2.74Å; W59-R63 HydrophobicContact CD2-CB 4.3Å; W59-R63 HydrophobicContact CH2-CB 4.34Å; W59-R63 HydrophobicContact CH2-CG 4.18Å; W59-R63 HydrophobicContact CZ2-CB 4.1Å; W59-R63 HydrophobicContact CZ2-CG 3.72Å; W59-R63 WeakPolarHBondContact O-CA 3.07Å; W59-R63 WeakPolarHBondContact O-CB 3.46Å; W59-R63 PolarHBondContact O-N 3.27Å; W59-V66 HydrophobicContact CH2-CB 4.42Å; W59-V66 HydrophobicContact CH2-CG1 4.23Å; W59-V66 HydrophobicContact CZ3-CB 4.17Å; W59-V66 HydrophobicContact CZ3-CG1 4.17Å; W59-V66 HydrophobicContact CZ3-CG2 4.17Å; W59-F67 HydrophobicContact CH2-CE2 4.31Å; W59-F67 HydrophobicContact CZ2-CE2 4.06Å; W59-F67 HydrophobicContact CZ2-CZ 4.45Å
60F92.9Very high88.3Confident90 Ų9083.1 Ų83.140%0.39539%0.394SS..Hα-helixtrans-58.5-40.7-174.9-61.8-34.5000113.7E6 L55 K56 A62 R63E6-F60 HydrophobicContact CG-CE1 4Å; L55-F60 HydrophobicContact CB-CD2 4.31Å; L55-F60 HydrophobicContact CB-CE1 4.47Å; L55-F60 HydrophobicContact CB-CE2 3.78Å; L55-F60 HydrophobicContact CB-CZ 3.88Å; L55-F60 HydrophobicContact CD1-CZ 4.36Å; L55-F60 HydrophobicContact CD2-CE1 4.44Å; L55-F60 HydrophobicContact CD2-CZ 4.45Å; L55-F60 HydrophobicContact CG-CZ 4.47Å; L55-F60 WeakPolarHBondContact O-CB 3.27Å; L55-F60 VanDerWaalsContact O-CD2 3.25Å; L55-F60 WeakPolarHBondContact O-CD2 3.49Å; L55-F60 VanDerWaalsContact O-CG 3.26Å; L55-F60 WeakPolarHBondContact O-CG 3.3Å; L55-F60 PolarHBondContact O-N 3.38Å; K56-F60 HydrophobicContact CG-CD2 4.48Å; F60-A62 VanDerWaalsContact C-N 3.34Å; F60-A62 PolarHBondContact O-N 3.14Å; F60-R63 WeakPolarHBondContact O-CB 3.29Å; F60-R63 PolarHBondContact O-N 3.48Å
61P93.2Very high88.1Confident84 Ų8484 Ų8455%0.54540%0.4SS..Hα-helixtrans-64.1-36.6174-24.336.2000113.4K56K56-P61 VanDerWaalsContact O-CD 3.28Å; K56-P61 WeakPolarHBondContact O-CD 3.48Å; K56-P61 WeakPolarHBondContact O-CG 3.44Å
62A90.8Very high87.9Confident42 Ų4288.5 Ų88.535%0.34742%0.421SS..Hα-helixtrans-83.1-22.6-179.500000113.4R58 W59 F60 F64 N65 V66R58-A62 VanDerWaalsContact O-CB 3.31Å; R58-A62 WeakPolarHBondContact O-CB 3.43Å; R58-A62 PolarHBondContact O-N 3.02Å; W59-A62 CarbonylContact O-C 3.55Å; W59-A62 PolarHBondContact O-N 2.74Å; F60-A62 VanDerWaalsContact C-N 3.34Å; F60-A62 PolarHBondContact O-N 3.14Å; A62-F64 PolarHBondContact O-N 3.36Å; A62-N65 PolarHBondContact O-N 2.99Å; A62-N65 VanDerWaalsContact O-N 3.08Å; A62-V66 WeakPolarHBondContact O-CG2 3.36Å; A62-V66 PolarHBondContact O-N 2.91Å
63R89.9Confident87.5Confident87 Ų8790.7 Ų90.733%0.32843%0.432SS..Hα-helixtrans-49.3-51.9-169.8177.8179.7175.6163.221.8112.5E6 W59 F60 N65 V66 F67E6-R63 IonicContact OE1-CZ 3.01Å; E6-R63 IonicContact OE1-NH1 2.63Å; E6-R63 PolarHBondContact OE1-NH1 3.27Å; E6-R63 IonicContact OE1-NH2 2.83Å; E6-R63 PolarHBondContact OE1-NH2 3.43Å; E6-R63 IonicContact OE2-CZ 3.28Å; E6-R63 VanDerWaalsContact OE2-CZ 3.28Å; E6-R63 IonicContact OE2-NE 3.76Å; E6-R63 IonicContact OE2-NH1 3.18Å; E6-R63 PolarHBondContact OE2-NH1 3.2Å; E6-R63 IonicContact OE2-NH2 3.57Å; W59-R63 HydrophobicContact CD2-CB 4.3Å; W59-R63 HydrophobicContact CH2-CB 4.34Å; W59-R63 HydrophobicContact CH2-CG 4.18Å; W59-R63 HydrophobicContact CZ2-CB 4.1Å; W59-R63 HydrophobicContact CZ2-CG 3.72Å; W59-R63 WeakPolarHBondContact O-CA 3.07Å; W59-R63 WeakPolarHBondContact O-CB 3.46Å; W59-R63 PolarHBondContact O-N 3.27Å; F60-R63 WeakPolarHBondContact O-CB 3.29Å; F60-R63 PolarHBondContact O-N 3.48Å; R63-N65 VanDerWaalsContact C-N 3.35Å; R63-N65 PolarHBondContact O-N 3.25Å; R63-V66 PolarHBondContact O-N 3.13Å; R63-F67 HydrophobicContact CG-CD2 3.51Å; R63-F67 HydrophobicContact CG-CE2 3.4Å; R63-F67 VanDerWaalsContact CG-CE2 3.4Å; R63-F67 WeakPolarHBondContact O-CD2 3.24Å; R63-F67 PolarHBondContact O-N 3.24Å
64F90.2Very high87Confident151 Ų15190.6 Ų90.666%0.66244%0.435SS*.Hα-helixtrans-58.6-46.2-178.1177.9-98.4000112A62 F67 K68A62-F64 PolarHBondContact O-N 3.36Å; F64-F67 PolarHBondContact O-N 3Å; F64-K68 HydrophobicContact CE1-CD 4.46Å; F64-K68 WeakPolarHBondContact O-CB 3.29Å; F64-K68 PolarHBondContact O-N 2.9Å
65N90.3Very high86.5Confident93 Ų9393.3 Ų93.350%0.49745%0.451SS..Hα-helixtrans-67.8-37.2179.7-71.9-31.2000112.3A62 R63 K68 K69A62-N65 PolarHBondContact O-N 2.99Å; A62-N65 VanDerWaalsContact O-N 3.08Å; R63-N65 VanDerWaalsContact C-N 3.35Å; R63-N65 PolarHBondContact O-N 3.25Å; N65-K68 PolarHBondContact O-N 3Å; N65-K69 WeakPolarHBondContact O-CG 3.41Å; N65-K69 PolarHBondContact O-N 2.9Å
66V84.2Confident85.9Confident55 Ų5596.5 Ų96.533%0.33347%0.468SS..Hα-helixtrans-63-48.6174.6172.40000110.3W59 A62 R63 K68 K69 L70W59-V66 HydrophobicContact CH2-CB 4.42Å; W59-V66 HydrophobicContact CH2-CG1 4.23Å; W59-V66 HydrophobicContact CZ3-CB 4.17Å; W59-V66 HydrophobicContact CZ3-CG1 4.17Å; W59-V66 HydrophobicContact CZ3-CG2 4.17Å; A62-V66 WeakPolarHBondContact O-CG2 3.36Å; A62-V66 PolarHBondContact O-N 2.91Å; R63-V66 PolarHBondContact O-N 3.13Å; V66-K68 PolarHBondContact O-N 3.06Å; V66-K69 PolarHBondContact O-N 2.99Å; V66-L70 HydrophobicContact CG1-CD1 3.99Å; V66-L70 HydrophobicContact CG1-CG 4.43Å; V66-L70 WeakPolarHBondContact O-CG 3.35Å; V66-L70 PolarHBondContact O-N 3.08Å
67F86.5Confident85.2Confident78 Ų7894.7 Ų94.734%0.34247%0.465SS..Hα-helixtrans-64.1-39.7177.6-79.2-60.1000113L3 W59 R63 F64 K69 L70 Q71L3-F67 HydrophobicContact CD2-CE1 4.2Å; L3-F67 HydrophobicContact CD2-CE2 4.27Å; L3-F67 HydrophobicContact CD2-CZ 3.46Å; L3-F67 VanDerWaalsContact CD2-CZ 3.46Å; W59-F67 HydrophobicContact CH2-CE2 4.31Å; W59-F67 HydrophobicContact CZ2-CE2 4.06Å; W59-F67 HydrophobicContact CZ2-CZ 4.45Å; R63-F67 HydrophobicContact CG-CD2 3.51Å; R63-F67 HydrophobicContact CG-CE2 3.4Å; R63-F67 VanDerWaalsContact CG-CE2 3.4Å; R63-F67 WeakPolarHBondContact O-CD2 3.24Å; R63-F67 PolarHBondContact O-N 3.24Å; F64-F67 PolarHBondContact O-N 3Å; F67-K69 VanDerWaalsContact C-N 3.35Å; F67-K69 PolarHBondContact O-N 3.33Å; F67-L70 HydrophobicContact CD1-CD1 4.35Å; F67-L70 PolarHBondContact O-N 3.02Å; F67-Q71 WeakPolarHBondContact O-CB 3.41Å; F67-Q71 PolarHBondContact O-N 3.43Å
68K86.5Confident84.5Confident105 Ų10592.1 Ų92.146%0.45746%0.458SS..Hα-helixtrans-57.9-49173.1-173175.4-179.5179.70110.4F64 N65 V66 L70 Q71 H72F64-K68 HydrophobicContact CE1-CD 4.46Å; F64-K68 WeakPolarHBondContact O-CB 3.29Å; F64-K68 PolarHBondContact O-N 2.9Å; N65-K68 PolarHBondContact O-N 3Å; V66-K68 PolarHBondContact O-N 3.06Å; K68-L70 PolarHBondContact O-N 3.42Å; K68-Q71 WeakPolarHBondContact O-CB 3.24Å; K68-Q71 PolarHBondContact O-N 3.33Å; K68-H72 VanDerWaalsContact CG-CE1 3.49Å; K68-H72 WeakPolarHBondContact CG-CE1 3.47Å; K68-H72 PolarHBondContact O-N 3.3Å; K68-H72 PolarHBondContact O-ND1 3.22Å
69K83.3Confident83.9Confident148 Ų14890.3 Ų90.364%0.64346%0.455SS*.Hα-helixtrans-60.2-45.3177.1-74.1177.5179.6-173.30112.4N65 V66 F67 Q71 H72 L73N65-K69 WeakPolarHBondContact O-CG 3.41Å; N65-K69 PolarHBondContact O-N 2.9Å; V66-K69 PolarHBondContact O-N 2.99Å; F67-K69 VanDerWaalsContact C-N 3.35Å; F67-K69 PolarHBondContact O-N 3.33Å; K69-Q71 VanDerWaalsContact C-N 3.31Å; K69-Q71 PolarHBondContact O-N 2.92Å; K69-H72 PolarHBondContact O-N 3.4Å; K69-L73 WeakPolarHBondContact O-CG 3.32Å; K69-L73 PolarHBondContact O-N 3.37Å
70L81.8Confident83.4Confident91 Ų9195 Ų9548%0.47648%0.477SS..Hα-helixtrans-61.2-39.9176.9-72.3172.7000112V66 F67 K68 L73 A74V66-L70 HydrophobicContact CG1-CD1 3.99Å; V66-L70 HydrophobicContact CG1-CG 4.43Å; V66-L70 WeakPolarHBondContact O-CG 3.35Å; V66-L70 PolarHBondContact O-N 3.08Å; F67-L70 HydrophobicContact CD1-CD1 4.35Å; F67-L70 PolarHBondContact O-N 3.02Å; K68-L70 PolarHBondContact O-N 3.42Å; L70-L73 PolarHBondContact O-N 2.87Å; L70-A74 WeakPolarHBondContact O-CB 3.35Å; L70-A74 PolarHBondContact O-N 3.47Å
71Q81.1Confident82.9Confident121 Ų12192.4 Ų92.457%0.56547%0.467SS*.Hα-helixtrans-62.5-43.7175.2-175.3-176.226.900111.7F67 K68 K69 A74 L75F67-Q71 WeakPolarHBondContact O-CB 3.41Å; F67-Q71 PolarHBondContact O-N 3.43Å; K68-Q71 WeakPolarHBondContact O-CB 3.24Å; K68-Q71 PolarHBondContact O-N 3.33Å; K69-Q71 VanDerWaalsContact C-N 3.31Å; K69-Q71 PolarHBondContact O-N 2.92Å; Q71-A74 PolarHBondContact O-N 3.46Å; Q71-L75 HydrophobicContact CG-CD1 4.3Å; Q71-L75 WeakPolarHBondContact O-CB 3.25Å; Q71-L75 VanDerWaalsContact O-CG 3.29Å; Q71-L75 WeakPolarHBondContact O-CG 3.39Å; Q71-L75 PolarHBondContact O-N 3.34Å
72H79.6Confident82.4Confident94 Ų9491 Ų9144%0.43546%0.458SS..Hα-helixtrans-63.6-46.5177.2-7169.5000110.9K68 K69 A74 L75 D76K68-H72 VanDerWaalsContact CG-CE1 3.49Å; K68-H72 WeakPolarHBondContact CG-CE1 3.47Å; K68-H72 PolarHBondContact O-N 3.3Å; K68-H72 PolarHBondContact O-ND1 3.22Å; K69-H72 PolarHBondContact O-N 3.4Å; H72-A74 VanDerWaalsContact C-N 3.33Å; H72-A74 PolarHBondContact O-N 2.95Å; H72-L75 PolarHBondContact O-N 3.17Å; H72-D76 VanDerWaalsContact O-CG 3.3Å; H72-D76 PolarHBondContact O-N 2.89Å
73L76.9Confident82.1Confident101 Ų10194.2 Ų94.253%0.52947%0.466SS..Hα-helixtrans-58.7-44.3176.2-72.5169000112K69 L70 L75 D76 I77K69-L73 WeakPolarHBondContact O-CG 3.32Å; K69-L73 PolarHBondContact O-N 3.37Å; L70-L73 PolarHBondContact O-N 2.87Å; L73-L75 VanDerWaalsContact C-N 3.35Å; L73-L75 PolarHBondContact O-N 2.92Å; L73-D76 PolarHBondContact O-N 3.22Å; L73-I77 VanDerWaalsContact O-CG1 3.29Å; L73-I77 WeakPolarHBondContact O-CG1 3.43Å; L73-I77 PolarHBondContact O-N 3.4Å
74A79.1Confident81.8Confident51 Ų5192.4 Ų92.442%0.42147%0.465SS..Hα-helixtrans-62.2-42.5176.700000111.7L70 Q71 H72 I77 V78L70-A74 WeakPolarHBondContact O-CB 3.35Å; L70-A74 PolarHBondContact O-N 3.47Å; Q71-A74 PolarHBondContact O-N 3.46Å; H72-A74 VanDerWaalsContact C-N 3.33Å; H72-A74 PolarHBondContact O-N 2.95Å; A74-I77 PolarHBondContact O-N 2.92Å; A74-V78 WeakPolarHBondContact O-CB 3.18Å; A74-V78 VanDerWaalsContact O-CG2 3.23Å; A74-V78 WeakPolarHBondContact O-CG2 3.41Å; A74-V78 PolarHBondContact O-N 2.9Å
75L77.4Confident81.7Confident90 Ų9085.4 Ų85.447%0.47143%0.434SS..Hα-helixtrans-63.7-40.7176-72.8171.4000112Q71 H72 L73 V78 K79Q71-L75 HydrophobicContact CG-CD1 4.3Å; Q71-L75 WeakPolarHBondContact O-CB 3.25Å; Q71-L75 VanDerWaalsContact O-CG 3.29Å; Q71-L75 WeakPolarHBondContact O-CG 3.39Å; Q71-L75 PolarHBondContact O-N 3.34Å; H72-L75 PolarHBondContact O-N 3.17Å; L73-L75 VanDerWaalsContact C-N 3.35Å; L73-L75 PolarHBondContact O-N 2.92Å; L75-V78 PolarHBondContact O-N 3.09Å; L75-K79 VanDerWaalsContact O-CG 3.27Å; L75-K79 WeakPolarHBondContact O-CG 3.34Å; L75-K79 PolarHBondContact O-N 3.01Å
76D77.7Confident81.6Confident73 Ų7383.7 Ų83.739%0.3943%0.425SS..Hα-helixtrans-67.5-41.5178.8-67.2-22.9000111.2H72 L73 K79 H80H72-D76 VanDerWaalsContact O-CG 3.3Å; H72-D76 PolarHBondContact O-N 2.89Å; L73-D76 PolarHBondContact O-N 3.22Å; D76-K79 PolarHBondContact O-N 2.76Å; D76-K79 IonicContact OD1-NZ 3.24Å; D76-K79 PolarHBondContact OD1-NZ 3.5Å; D76-H80 PolarHBondContact O-CD2 3.2Å; D76-H80 PolarHBondContact O-N 2.97Å
77I76.8Confident81.8Confident113 Ų11386.9 Ų86.958%0.57944%0.44SS*.Hα-helixtrans-59.8-48.6172.3-68.3165.7000110.6L73 A74 K79 H80 L81L73-I77 VanDerWaalsContact O-CG1 3.29Å; L73-I77 WeakPolarHBondContact O-CG1 3.43Å; L73-I77 PolarHBondContact O-N 3.4Å; A74-I77 PolarHBondContact O-N 2.92Å; I77-K79 VanDerWaalsContact C-N 3.27Å; I77-K79 PolarHBondContact O-N 3.31Å; I77-H80 PolarHBondContact O-N 2.8Å; I77-L81 WeakPolarHBondContact O-CB 3.34Å; I77-L81 PolarHBondContact O-N 3.43Å
78V75.9Confident82Confident86 Ų8686.3 Ų86.352%0.52144%0.437SS..Hα-helixtrans-62.1-34.4-179.2168.80000111.8A74 L75 L81 P82A74-V78 WeakPolarHBondContact O-CB 3.18Å; A74-V78 VanDerWaalsContact O-CG2 3.23Å; A74-V78 WeakPolarHBondContact O-CG2 3.41Å; A74-V78 PolarHBondContact O-N 2.9Å; L75-V78 PolarHBondContact O-N 3.09Å; V78-L81 PolarHBondContact O-N 3.13Å; V78-P82 VanDerWaalsContact O-CD 3.24Å; V78-P82 WeakPolarHBondContact O-CD 3.37Å
79K77.1Confident82.2Confident137 Ų13781.6 Ų81.660%0.59642%0.417SS*.Hα-helixtrans-64.5-39.7175.6-75.8169.4-170.4164.10112.8L75 D76 I77L75-K79 VanDerWaalsContact O-CG 3.27Å; L75-K79 WeakPolarHBondContact O-CG 3.34Å; L75-K79 PolarHBondContact O-N 3.01Å; D76-K79 PolarHBondContact O-N 2.76Å; D76-K79 IonicContact OD1-NZ 3.24Å; D76-K79 PolarHBondContact OD1-NZ 3.5Å; I77-K79 VanDerWaalsContact C-N 3.27Å; I77-K79 PolarHBondContact O-N 3.31Å
80H79.9Confident82.3Confident105 Ų10576.7 Ų76.749%0.48641%0.408SS..Hα-helixtrans-83.3-15.4179.3-69.2-60.5000113.2D76 I77 E83 V84D76-H80 PolarHBondContact O-CD2 3.2Å; D76-H80 PolarHBondContact O-N 2.97Å; I77-H80 PolarHBondContact O-N 2.8Å; H80-E83 IonicContact ND1-OE2 3.25Å; H80-E83 PolarHBondContact ND1-OE2 3.3Å; H80-E83 PolarHBondContact O-N 3.47Å; H80-V84 WeakPolarHBondContact O-CG2 3.31Å; H80-V84 PolarHBondContact O-N 2.89Å
81L82.5Confident82.7Confident36 Ų3674.4 Ų74.419%0.18840%0.4CS..Hα-helixtrans-58.8-46.1-174.7-172.561000113.1I77 V78 E83 V84 L85 M112I77-L81 WeakPolarHBondContact O-CB 3.34Å; I77-L81 PolarHBondContact O-N 3.43Å; V78-L81 PolarHBondContact O-N 3.13Å; L81-E83 VanDerWaalsContact C-N 3.34Å; L81-E83 PolarHBondContact O-N 2.95Å; L81-V84 PolarHBondContact O-N 3.36Å; L81-L85 HydrophobicContact CD1-CD2 4.47Å; L81-L85 HydrophobicContact CD1-CG 4.26Å; L81-L85 HydrophobicContact CG-CD1 4.25Å; L81-L85 HydrophobicContact CG-CG 4.36Å; L81-L85 VanDerWaalsContact O-CG 3.27Å; L81-L85 WeakPolarHBondContact O-CG 3.44Å; L81-L85 PolarHBondContact O-N 2.93Å; L81-M112 HydrophobicContact CD2-CE 3.39Å; L81-M112 HydrophobicContact CD2-SD 4.02Å; L81-M112 HydrophobicContact CG-CE 4.08Å
82P82.4Confident83.1Confident55 Ų5573.6 Ų73.636%0.35741%0.408SS..Hα-helixtrans-57-44.1175.8-26.235.8000113.3V78 L85 L86 L127V78-P82 VanDerWaalsContact O-CD 3.24Å; V78-P82 WeakPolarHBondContact O-CD 3.37Å; P82-L85 PolarHBondContact O-N 3.08Å; P82-L86 WeakPolarHBondContact O-CB 3.34Å; P82-L86 VanDerWaalsContact O-CG 3.26Å; P82-L86 WeakPolarHBondContact O-CG 3.34Å; P82-L86 PolarHBondContact O-N 2.91Å; P82-L127 HydrophobicContact CB-CD1 4.09Å
83E84.5Confident83.4Confident109 Ų10973.6 Ų73.651%0.50941%0.408SS..Hα-helixtrans-61.9-47.1177.9-62.4173.5162.700110.6H80 L81 L85 L86 D87H80-E83 IonicContact ND1-OE2 3.25Å; H80-E83 PolarHBondContact ND1-OE2 3.3Å; H80-E83 PolarHBondContact O-N 3.47Å; L81-E83 VanDerWaalsContact C-N 3.34Å; L81-E83 PolarHBondContact O-N 2.95Å; E83-L85 VanDerWaalsContact C-N 3.29Å; E83-L85 PolarHBondContact O-N 3.38Å; E83-L86 PolarHBondContact O-N 3.3Å; E83-D87 VanDerWaalsContact O-CB 3.24Å; E83-D87 WeakPolarHBondContact O-CB 3.27Å; E83-D87 PolarHBondContact O-N 2.83Å
84V84.5Confident83.9Confident49 Ų4969.9 Ų69.930%0.29739%0.387SS..Hα-helixtrans-58.9-42.2176173.30000111.1H80 L81 K88H80-V84 WeakPolarHBondContact O-CG2 3.31Å; H80-V84 PolarHBondContact O-N 2.89Å; L81-V84 PolarHBondContact O-N 3.36Å; V84-K88 HydrophobicContact CG1-CG 4.23Å; V84-K88 WeakPolarHBondContact O-CA 3.3Å; V84-K88 WeakPolarHBondContact O-CB 3.43Å; V84-K88 VanDerWaalsContact O-CG 3.28Å; V84-K88 WeakPolarHBondContact O-CG 3.43Å; V84-K88 PolarHBondContact O-N 3.41Å
85L87.1Confident84.2Confident4 Ų472.5 Ų72.52%0.02140%0.397CS..Hα-helixtrans-66.9-49.3178.8-67.2-178.4000111.6L81 P82 E83 V89 W94 M112 L116 C122 L127 L130L81-L85 HydrophobicContact CD1-CD2 4.47Å; L81-L85 HydrophobicContact CD1-CG 4.26Å; L81-L85 HydrophobicContact CG-CD1 4.25Å; L81-L85 HydrophobicContact CG-CG 4.36Å; L81-L85 VanDerWaalsContact O-CG 3.27Å; L81-L85 WeakPolarHBondContact O-CG 3.44Å; L81-L85 PolarHBondContact O-N 2.93Å; P82-L85 PolarHBondContact O-N 3.08Å; E83-L85 VanDerWaalsContact C-N 3.29Å; E83-L85 PolarHBondContact O-N 3.38Å; L85-V89 HydrophobicContact CD2-CG2 4.4Å; L85-V89 VanDerWaalsContact O-CB 3.24Å; L85-V89 WeakPolarHBondContact O-CB 3.26Å; L85-V89 WeakPolarHBondContact O-CG2 3.29Å; L85-V89 PolarHBondContact O-N 3.46Å; L85-W94 HydrophobicContact CD2-CH2 3.49Å; L85-W94 VanDerWaalsContact CD2-CH2 3.49Å; L85-W94 HydrophobicContact CD2-CZ3 3.71Å; L85-M112 HydrophobicContact CD1-CE 3.93Å; L85-M112 HydrophobicContact CD1-SD 4.28Å; L85-L116 HydrophobicContact CD1-CD1 4.46Å; L85-L116 HydrophobicContact CD2-CD1 3.7Å; L85-C122 WeakPolarHBondContact O-CB 3.28Å; L85-L127 HydrophobicContact CB-CD2 4.05Å; L85-L127 HydrophobicContact CD1-CD2 3.63Å; L85-L127 HydrophobicContact CG-CD2 4.5Å; L85-L130 HydrophobicContact CD1-CD1 4.13Å
86L88.5Confident84.5Confident57 Ų5776 Ų7630%0.29841%0.406SS..Hα-helixtrans-62.6-43.6-179.5-68.7171.5000111.8P82 E83 C122 L127P82-L86 WeakPolarHBondContact O-CB 3.34Å; P82-L86 VanDerWaalsContact O-CG 3.26Å; P82-L86 WeakPolarHBondContact O-CG 3.34Å; P82-L86 PolarHBondContact O-N 2.91Å; E83-L86 PolarHBondContact O-N 3.3Å; L86-C122 WeakPolarHBondContact CD2-O 3.08Å; L86-L127 HydrophobicContact CD1-CD1 4.06Å; L86-L127 HydrophobicContact CD2-CD1 4Å; L86-L127 HydrophobicContact CD2-CG 4.4Å; L86-L127 HydrophobicContact CG-CD1 3.99Å
87D89.6Confident84.8Confident121 Ų12174.3 Ų74.365%0.64740%0.396SS*.Hα-helixtrans-84.7-29.8-172.9-67.9-17.1000113.5E83E83-D87 VanDerWaalsContact O-CB 3.24Å; E83-D87 WeakPolarHBondContact O-CB 3.27Å; E83-D87 PolarHBondContact O-N 2.83Å
88K89.4Confident85Confident66 Ų6670.5 Ų70.529%0.28738%0.377SS..Hα-helixtrans-106.9-22.2-169.1-50.9-60.5-1771710114.1V84 G90 S91 E93 W94V84-K88 HydrophobicContact CG1-CG 4.23Å; V84-K88 WeakPolarHBondContact O-CA 3.3Å; V84-K88 WeakPolarHBondContact O-CB 3.43Å; V84-K88 VanDerWaalsContact O-CG 3.28Å; V84-K88 WeakPolarHBondContact O-CG 3.43Å; V84-K88 PolarHBondContact O-N 3.41Å; K88-G90 PolarHBondContact O-N 2.95Å; K88-S91 VanDerWaalsContact O-CB 3.29Å; K88-S91 WeakPolarHBondContact O-CB 3.5Å; K88-S91 PolarHBondContact O-N 3.47Å; K88-S91 PolarHBondContact O-OG 3.28Å; K88-E93 HydrophobicContact CD-CB 4.42Å; K88-E93 WeakPolarHBondContact CD-OE2 3.46Å; K88-E93 WeakPolarHBondContact CE-OE2 3.37Å; K88-E93 IonicContact NZ-OE1 2.76Å; K88-E93 IonicContact NZ-OE2 3.55Å; K88-E93 PolarHBondContact NZ-OE2 3.41Å; K88-W94 HydrophobicContact CB-CE3 4.44Å; K88-W94 WeakPolarHBondContact O-CB 3.42Å
89V89.9Confident85.2Confident7 Ų768.9 Ų68.94%0.04237%0.369CS..THydrogen-bonded Turntrans-61.4130.2178.3170.50000110.1L85 S91 W94 L116 K119 C122L85-V89 HydrophobicContact CD2-CG2 4.4Å; L85-V89 VanDerWaalsContact O-CB 3.24Å; L85-V89 WeakPolarHBondContact O-CB 3.26Å; L85-V89 WeakPolarHBondContact O-CG2 3.29Å; L85-V89 PolarHBondContact O-N 3.46Å; V89-S91 PolarHBondContact O-N 2.98Å; V89-W94 HydrophobicContact CB-CD2 4.49Å; V89-W94 HydrophobicContact CB-CE3 4.36Å; V89-W94 HydrophobicContact CG2-CD2 3.95Å; V89-W94 HydrophobicContact CG2-CE3 3.6Å; V89-W94 HydrophobicContact CG2-CH2 3.63Å; V89-W94 HydrophobicContact CG2-CZ2 3.95Å; V89-W94 HydrophobicContact CG2-CZ3 3.44Å; V89-W94 VanDerWaalsContact CG2-CZ3 3.44Å; V89-L116 HydrophobicContact CG1-CB 4.4Å; V89-L116 HydrophobicContact CG1-CD2 4.39Å; V89-L116 HydrophobicContact CG2-CB 4.38Å; V89-L116 HydrophobicContact CG2-CD1 3.89Å; V89-L116 HydrophobicContact CG2-CD2 4.41Å; V89-L116 HydrophobicContact CG2-CG 4.46Å; V89-K119 HydrophobicContact CG1-CB 3.96Å; V89-C122 HydrophobicContact CB-CB 3.71Å; V89-C122 HydrophobicContact CG1-CB 4.04Å; V89-C122 HydrophobicContact CG2-CB 3.83Å
90G86.9Confident85.3Confident44 Ų4466.4 Ų66.445%0.45436%0.362SS..THydrogen-bonded Turntrans80.8-8.4-17600000115.5K88 S120K88-G90 PolarHBondContact O-N 2.95Å; G90-S120 WeakPolarHBondContact CA-O 3.4Å
91S90.4Very high85.3Confident43 Ų4362 Ų6230%0.30134%0.342SS..SBendtrans-78.8164.7170.179.10000111.5K88 V89 E93 W94K88-S91 VanDerWaalsContact O-CB 3.29Å; K88-S91 WeakPolarHBondContact O-CB 3.5Å; K88-S91 PolarHBondContact O-N 3.47Å; K88-S91 PolarHBondContact O-OG 3.28Å; V89-S91 PolarHBondContact O-N 2.98Å; S91-E93 PolarHBondContact O-N 3.11Å; S91-E93 PolarHBondContact OG-N 3Å; S91-W94 VanDerWaalsContact O-CB 3.29Å; S91-W94 WeakPolarHBondContact O-CB 3.29Å; S91-W94 PolarHBondContact O-N 3.23Å; S91-W94 VanDerWaalsContact O-N 3.11Å; S91-W94 PolarHBondContact OG-N 2.86Å
92S88.3Confident85.1Confident105 Ų10564.8 Ų64.873%0.73436%0.356SS*.THydrogen-bonded Turntrans-62.3-23.4171.552.90000113.2W94S92-W94 VanDerWaalsContact C-N 3.28Å; S92-W94 PolarHBondContact O-N 3.2Å
93E86.3Confident84.6Confident94 Ų9469.9 Ų69.944%0.43938%0.375SS..THydrogen-bonded Turntrans-75-17.8177.2-63.7-179.8-163.600112.5K88 S91 V95 Y96 N97K88-E93 HydrophobicContact CD-CB 4.42Å; K88-E93 WeakPolarHBondContact CD-OE2 3.46Å; K88-E93 WeakPolarHBondContact CE-OE2 3.37Å; K88-E93 IonicContact NZ-OE1 2.76Å; K88-E93 IonicContact NZ-OE2 3.55Å; K88-E93 PolarHBondContact NZ-OE2 3.41Å; S91-E93 PolarHBondContact O-N 3.11Å; S91-E93 PolarHBondContact OG-N 3Å; E93-V95 PolarHBondContact O-N 3.2Å; E93-Y96 PolarHBondContact O-N 3.04Å; E93-Y96 VanDerWaalsContact O-N 3.16Å; E93-N97 PolarHBondContact O-N 3.27Å
94W87Confident84.2Confident23 Ų2369.5 Ų69.59%0.08738%0.377CS..Hα-helixtrans-58.9-32.3178.6-172.4-117.2000112.7L85 K88 V89 S91 S92 Y96 N97 D98 L101 L116L85-W94 HydrophobicContact CD2-CH2 3.49Å; L85-W94 VanDerWaalsContact CD2-CH2 3.49Å; L85-W94 HydrophobicContact CD2-CZ3 3.71Å; K88-W94 HydrophobicContact CB-CE3 4.44Å; K88-W94 WeakPolarHBondContact O-CB 3.42Å; V89-W94 HydrophobicContact CB-CD2 4.49Å; V89-W94 HydrophobicContact CB-CE3 4.36Å; V89-W94 HydrophobicContact CG2-CD2 3.95Å; V89-W94 HydrophobicContact CG2-CE3 3.6Å; V89-W94 HydrophobicContact CG2-CH2 3.63Å; V89-W94 HydrophobicContact CG2-CZ2 3.95Å; V89-W94 HydrophobicContact CG2-CZ3 3.44Å; V89-W94 VanDerWaalsContact CG2-CZ3 3.44Å; S91-W94 VanDerWaalsContact O-CB 3.29Å; S91-W94 WeakPolarHBondContact O-CB 3.29Å; S91-W94 PolarHBondContact O-N 3.23Å; S91-W94 VanDerWaalsContact O-N 3.11Å; S91-W94 PolarHBondContact OG-N 2.86Å; S92-W94 VanDerWaalsContact C-N 3.28Å; S92-W94 PolarHBondContact O-N 3.2Å; W94-Y96 PolarHBondContact O-N 3.14Å; W94-N97 HydrophobicContact CD2-CB 4.44Å; W94-N97 HydrophobicContact CE3-CB 3.76Å; W94-N97 HydrophobicContact CZ3-CB 3.86Å; W94-N97 CarbonylContact O-C 3.57Å; W94-N97 PolarHBondContact O-N 3.32Å; W94-N97 VanDerWaalsContact O-N 3.07Å; W94-D98 WeakPolarHBondContact O-CB 3.4Å; W94-D98 PolarHBondContact O-N 3.18Å; W94-L101 HydrophobicContact CH2-CD1 3.82Å; W94-L101 HydrophobicContact CZ2-CD1 4.09Å; W94-L116 HydrophobicContact CH2-CD1 3.9Å; W94-L116 HydrophobicContact CZ2-CB 3.9Å; W94-L116 HydrophobicContact CZ2-CD1 4.05Å
95V85.5Confident83.7Confident105 Ų10572.3 Ų72.364%0.63639%0.39SS*.Hα-helixtrans-57-39.6179.3-179.50000111.3E93 S99E93-V95 PolarHBondContact O-N 3.2Å; V95-S99 PolarHBondContact O-N 3.48Å
96Y83.6Confident83.4Confident165 Ų16575.2 Ų75.265%0.64741%0.408SS*.Hα-helixtrans-70.1-43176.4-59.9-73.1000111.4E93 W94 D98 S99 I100E93-Y96 PolarHBondContact O-N 3.04Å; E93-Y96 VanDerWaalsContact O-N 3.16Å; W94-Y96 PolarHBondContact O-N 3.14Å; Y96-D98 VanDerWaalsContact C-N 3.33Å; Y96-D98 PolarHBondContact O-N 3.19Å; Y96-S99 PolarHBondContact O-N 2.9Å; Y96-S99 PolarHBondContact O-OG 3.18Å; Y96-I100 WeakPolarHBondContact O-CG1 3.27Å; Y96-I100 PolarHBondContact O-N 3.39Å
97N83.7Confident83.1Confident37 Ų3773.7 Ų73.720%0.19840%0.4CS..Hα-helixtrans-63.8-37.8176.5-67.9-47.5000112E93 W94 S99 I100 L101E93-N97 PolarHBondContact O-N 3.27Å; W94-N97 HydrophobicContact CD2-CB 4.44Å; W94-N97 HydrophobicContact CE3-CB 3.76Å; W94-N97 HydrophobicContact CZ3-CB 3.86Å; W94-N97 CarbonylContact O-C 3.57Å; W94-N97 PolarHBondContact O-N 3.32Å; W94-N97 VanDerWaalsContact O-N 3.07Å; N97-S99 PolarHBondContact O-N 3.22Å; N97-I100 PolarHBondContact O-N 3.01Å; N97-L101 VanDerWaalsContact O-CG 3.3Å; N97-L101 WeakPolarHBondContact O-CG 3.3Å; N97-L101 PolarHBondContact O-N 3.41Å
98D82.9Confident82.8Confident33 Ų3370.5 Ų70.518%0.17638%0.382CS..Hα-helixtrans-63.2-40.5175.8-171.568.6000111.9W94 Y96 L101 L102 R113W94-D98 WeakPolarHBondContact O-CB 3.4Å; W94-D98 PolarHBondContact O-N 3.18Å; Y96-D98 VanDerWaalsContact C-N 3.33Å; Y96-D98 PolarHBondContact O-N 3.19Å; D98-L101 PolarHBondContact O-N 3.29Å; D98-L102 PolarHBondContact O-N 3.49Å; D98-R113 WeakPolarHBondContact OD1-CG 3.37Å; D98-R113 IonicContact OD1-CZ 3.97Å; D98-R113 IonicContact OD1-NE 3.43Å; D98-R113 PolarHBondContact OD1-NE 3.39Å; D98-R113 IonicContact OD1-NH2 3.57Å; D98-R113 IonicContact OD2-CZ 3.7Å; D98-R113 IonicContact OD2-NE 2.65Å; D98-R113 PolarHBondContact OD2-NE 3.13Å; D98-R113 IonicContact OD2-NH2 3.48Å; D98-R113 PolarHBondContact OD2-NH2 3.48Å
99S78.9Confident82.6Confident51 Ų5167.4 Ų67.436%0.35737%0.369SS..Hα-helixtrans-63.2-41.7172.759.60000112.5V95 Y96 N97 L101 L102 E103V95-S99 PolarHBondContact O-N 3.48Å; Y96-S99 PolarHBondContact O-N 2.9Å; Y96-S99 PolarHBondContact O-OG 3.18Å; N97-S99 PolarHBondContact O-N 3.22Å; S99-L101 PolarHBondContact O-N 3.34Å; S99-L102 WeakPolarHBondContact O-CB 3.15Å; S99-L102 PolarHBondContact O-N 2.94Å; S99-E103 WeakPolarHBondContact O-CG 3.36Å; S99-E103 PolarHBondContact O-N 2.85Å
100I78.6Confident82.4Confident85 Ų8570.9 Ų70.944%0.43639%0.387SS..Hα-helixtrans-63.2-44.2176.4-67.1165.1000110.4Y96 N97 L102 E103 L104Y96-I100 WeakPolarHBondContact O-CG1 3.27Å; Y96-I100 PolarHBondContact O-N 3.39Å; N97-I100 PolarHBondContact O-N 3.01Å; I100-L102 VanDerWaalsContact C-N 3.31Å; I100-L102 PolarHBondContact O-N 2.72Å; I100-E103 PolarHBondContact O-N 3.39Å; I100-L104 HydrophobicContact CG2-CD1 4.39Å; I100-L104 WeakPolarHBondContact O-CG 3.36Å; I100-L104 PolarHBondContact O-N 2.74Å
101L81.6Confident82.5Confident13 Ų1369.2 Ų69.27%0.06837%0.368CS..Hα-helixtrans-62.6-37.8177.1-69.7175.2000111.9W94 N97 D98 S99 L104 N105 A109 M112 R113W94-L101 HydrophobicContact CH2-CD1 3.82Å; W94-L101 HydrophobicContact CZ2-CD1 4.09Å; N97-L101 VanDerWaalsContact O-CG 3.3Å; N97-L101 WeakPolarHBondContact O-CG 3.3Å; N97-L101 PolarHBondContact O-N 3.41Å; D98-L101 PolarHBondContact O-N 3.29Å; S99-L101 PolarHBondContact O-N 3.34Å; L101-L104 HydrophobicContact CD2-CD1 4.4Å; L101-L104 PolarHBondContact O-N 3.25Å; L101-N105 PolarHBondContact O-N 2.88Å; L101-A109 HydrophobicContact CB-CB 4.17Å; L101-A109 HydrophobicContact CD2-CB 3.92Å; L101-A109 VanDerWaalsContact O-CB 3.29Å; L101-A109 WeakPolarHBondContact O-CB 3.26Å; L101-M112 HydrophobicContact CD1-CB 4.15Å; L101-M112 HydrophobicContact CD2-SD 4.24Å; L101-R113 HydrophobicContact CB-CG 3.67Å; L101-R113 HydrophobicContact CD1-CG 3.89Å; L101-R113 HydrophobicContact CG-CG 4.45Å
102L77.7Confident82.4Confident94 Ų9467.7 Ų67.749%0.49236%0.356SS..Hα-helixtrans-62.2-43.7173.8179.758.1000111.5D98 S99 I100 N105 R113D98-L102 PolarHBondContact O-N 3.49Å; S99-L102 WeakPolarHBondContact O-CB 3.15Å; S99-L102 PolarHBondContact O-N 2.94Å; I100-L102 VanDerWaalsContact C-N 3.31Å; I100-L102 PolarHBondContact O-N 2.72Å; L102-N105 PolarHBondContact O-N 3.26Å; L102-R113 VanDerWaalsContact CB-NH1 3.26Å
103E72.6Confident82.4Confident162 Ų16265.1 Ų65.176%0.75733%0.33SS*.Hα-helixtrans-67.4-36.3179.7-73.6178.7-176.200112.8S99 I100 N105S99-E103 WeakPolarHBondContact O-CG 3.36Å; S99-E103 PolarHBondContact O-N 2.85Å; I100-E103 PolarHBondContact O-N 3.39Å; E103-N105 PolarHBondContact O-N 3.38Å
104L74.9Confident82.5Confident102 Ų10267.5 Ų67.553%0.53434%0.341SS..Hα-helixtrans-61-34.5175.5-74.1175.7000111.9I100 L101 T106 A109I100-L104 HydrophobicContact CG2-CD1 4.39Å; I100-L104 WeakPolarHBondContact O-CG 3.36Å; I100-L104 PolarHBondContact O-N 2.74Å; L101-L104 HydrophobicContact CD2-CD1 4.4Å; L101-L104 PolarHBondContact O-N 3.25Å; L104-T106 HydrophobicContact CB-CG2 4.5Å; L104-T106 WeakPolarHBondContact O-CG2 3.36Å; L104-T106 PolarHBondContact O-N 3.06Å; L104-A109 HydrophobicContact CB-CB 4.18Å
105N75.1Confident82.6Confident108 Ų10869 Ų6958%0.57835%0.35SS*.  trans44.938.9177.5-165.832000113.7L101 L102 E103L101-N105 PolarHBondContact O-N 2.88Å; L102-N105 PolarHBondContact O-N 3.26Å; E103-N105 PolarHBondContact O-N 3.38Å
106T80.5Confident82.8Confident64 Ų6464 Ų6439%0.39332%0.319SS..  trans-96.2157.9173.964.90000109.9L104 L108 A109 L110L104-T106 HydrophobicContact CB-CG2 4.5Å; L104-T106 WeakPolarHBondContact O-CG2 3.36Å; L104-T106 PolarHBondContact O-N 3.06Å; T106-L108 PolarHBondContact O-N 3.35Å; T106-A109 PolarHBondContact O-N 2.73Å; T106-A109 VanDerWaalsContact O-N 3.11Å; T106-A109 WeakPolarHBondContact OG1-CB 3.42Å; T106-A109 PolarHBondContact OG1-N 2.85Å; T106-L110 WeakPolarHBondContact O-CG 3.42Å; T106-L110 PolarHBondContact O-N 2.97Å
107L81Confident82.8Confident26 Ų2661.2 Ų61.214%0.13631%0.314CS..Hα-helixtrans-51.3-46.8173.7174.459.2000111.8A109 L110 I111 Y134 Q137 P140L107-A109 PolarHBondContact O-N 3.34Å; L107-L110 PolarHBondContact O-N 3.49Å; L107-I111 HydrophobicContact CD1-CD1 3.72Å; L107-I111 HydrophobicContact CD1-CG1 4.1Å; L107-I111 HydrophobicContact CG-CD1 3.77Å; L107-I111 VanDerWaalsContact O-CG1 3.3Å; L107-I111 WeakPolarHBondContact O-CG1 3.28Å; L107-I111 PolarHBondContact O-N 2.86Å; L107-Y134 HydrophobicContact CB-CE2 4.37Å; L107-Y134 HydrophobicContact CD2-CD2 4.08Å; L107-Y134 HydrophobicContact CD2-CE2 3.96Å; L107-Y134 HydrophobicContact CG-CD2 4.11Å; L107-Y134 HydrophobicContact CG-CE2 4.16Å; L107-Q137 HydrophobicContact CD1-CG 4.47Å; L107-Q137 HydrophobicContact CD2-CB 4.17Å; L107-P140 HydrophobicContact CD1-CG 3.63Å; L107-P140 HydrophobicContact CD2-CG 4.21Å; L107-P140 HydrophobicContact CG-CG 4.33Å
108L84.3Confident82.9Confident53 Ų5370.8 Ų70.828%0.27735%0.348SS..Hα-helixtrans-61-44.8179.4-177.560.4000111.7T106 L110 I111 M112 Y134T106-L108 PolarHBondContact O-N 3.35Å; L108-L110 PolarHBondContact O-N 2.96Å; L108-I111 PolarHBondContact O-N 3.24Å; L108-M112 HydrophobicContact CD1-CE 3.59Å; L108-M112 HydrophobicContact CD1-CG 4.49Å; L108-M112 HydrophobicContact CD1-SD 4.42Å; L108-M112 HydrophobicContact CD2-CE 3.9Å; L108-M112 HydrophobicContact CG-CE 3.6Å; L108-M112 HydrophobicContact CG-SD 4.06Å; L108-M112 WeakPolarHBondContact O-CB 3.09Å; L108-M112 VanDerWaalsContact O-CG 3.29Å; L108-M112 WeakPolarHBondContact O-CG 3.48Å; L108-M112 PolarHBondContact O-N 3.24Å; L108-Y134 HydrophobicContact CB-CD2 3.99Å; L108-Y134 HydrophobicContact CB-CE2 3.96Å; L108-Y134 HydrophobicContact CD1-CD2 3.98Å; L108-Y134 HydrophobicContact CD1-CG 4.23Å
109A85.5Confident83.2Confident2 Ų273.3 Ų73.32%0.01736%0.357CS..Hα-helixtrans-63.7-40.3178.500000112.1L101 L104 T106 L107 M112 R113L101-A109 HydrophobicContact CB-CB 4.17Å; L101-A109 HydrophobicContact CD2-CB 3.92Å; L101-A109 VanDerWaalsContact O-CB 3.29Å; L101-A109 WeakPolarHBondContact O-CB 3.26Å; L104-A109 HydrophobicContact CB-CB 4.18Å; T106-A109 PolarHBondContact O-N 2.73Å; T106-A109 VanDerWaalsContact O-N 3.11Å; T106-A109 WeakPolarHBondContact OG1-CB 3.42Å; T106-A109 PolarHBondContact OG1-N 2.85Å; L107-A109 PolarHBondContact O-N 3.34Å; A109-M112 PolarHBondContact O-N 2.92Å; A109-R113 VanDerWaalsContact O-CG 3.28Å; A109-R113 WeakPolarHBondContact O-CG 3.42Å; A109-R113 PolarHBondContact O-N 2.65Å
110L85.9Confident83.8Confident79 Ų7975.8 Ų75.841%0.41437%0.374SS..Hα-helixtrans-63.8-43.6175.9-68173.4000112.1T106 L107 L108 R113 Q114T106-L110 WeakPolarHBondContact O-CG 3.42Å; T106-L110 PolarHBondContact O-N 2.97Å; L107-L110 PolarHBondContact O-N 3.49Å; L108-L110 PolarHBondContact O-N 2.96Å; L110-R113 PolarHBondContact O-N 3.33Å; L110-Q114 WeakPolarHBondContact O-CB 3.24Å; L110-Q114 PolarHBondContact O-N 3.4Å
111I87.5Confident84.5Confident9 Ų974.6 Ų74.65%0.04637%0.374CS..Hα-helixtrans-61.5-47.6175.8-68.2164.2000110.2L107 L108 R113 Q114 Q115 L130 I133 Y134 Q137L107-I111 HydrophobicContact CD1-CD1 3.72Å; L107-I111 HydrophobicContact CD1-CG1 4.1Å; L107-I111 HydrophobicContact CG-CD1 3.77Å; L107-I111 VanDerWaalsContact O-CG1 3.3Å; L107-I111 WeakPolarHBondContact O-CG1 3.28Å; L107-I111 PolarHBondContact O-N 2.86Å; L108-I111 PolarHBondContact O-N 3.24Å; I111-R113 PolarHBondContact O-N 3.43Å; I111-Q114 PolarHBondContact O-N 3.33Å; I111-Q115 HydrophobicContact CG2-CG 4.4Å; I111-Q115 WeakPolarHBondContact O-CG 3.38Å; I111-Q115 PolarHBondContact O-N 2.93Å; I111-L130 HydrophobicContact CG2-CD2 3.71Å; I111-I133 HydrophobicContact CD1-CG2 3.97Å; I111-I133 HydrophobicContact CG1-CG2 4.04Å; I111-I133 HydrophobicContact CG2-CB 4.05Å; I111-I133 HydrophobicContact CG2-CG2 3.77Å; I111-Y134 HydrophobicContact CD1-CD2 4.07Å; I111-Q137 HydrophobicContact CD1-CG 4.17Å
112M88Confident85Confident12 Ų1274.4 Ų74.46%0.05937%0.374CS..Hα-helixtrans-55.6-49.9177-76.3173.3175.900111.6L81 L85 L101 L108 A109 Q114 Q115 L116 L130L81-M112 HydrophobicContact CD2-CE 3.39Å; L81-M112 HydrophobicContact CD2-SD 4.02Å; L81-M112 HydrophobicContact CG-CE 4.08Å; L85-M112 HydrophobicContact CD1-CE 3.93Å; L85-M112 HydrophobicContact CD1-SD 4.28Å; L101-M112 HydrophobicContact CD1-CB 4.15Å; L101-M112 HydrophobicContact CD2-SD 4.24Å; L108-M112 HydrophobicContact CD1-CE 3.59Å; L108-M112 HydrophobicContact CD1-CG 4.49Å; L108-M112 HydrophobicContact CD1-SD 4.42Å; L108-M112 HydrophobicContact CD2-CE 3.9Å; L108-M112 HydrophobicContact CG-CE 3.6Å; L108-M112 HydrophobicContact CG-SD 4.06Å; L108-M112 WeakPolarHBondContact O-CB 3.09Å; L108-M112 VanDerWaalsContact O-CG 3.29Å; L108-M112 WeakPolarHBondContact O-CG 3.48Å; L108-M112 PolarHBondContact O-N 3.24Å; A109-M112 PolarHBondContact O-N 2.92Å; M112-Q114 PolarHBondContact O-N 2.95Å; M112-Q115 PolarHBondContact O-N 3.4Å; M112-L116 HydrophobicContact CB-CD1 4.45Å; M112-L116 WeakPolarHBondContact O-CB 3.43Å; M112-L116 VanDerWaalsContact O-CG 3.24Å; M112-L116 WeakPolarHBondContact O-CG 3.4Å; M112-L116 PolarHBondContact O-N 3.41Å; M112-L130 HydrophobicContact CB-CD2 4.48Å; M112-L130 HydrophobicContact CG-CD1 4.1Å; M112-L130 HydrophobicContact CG-CD2 4.09Å
113R89Confident85.7Confident50 Ų5072.4 Ų72.419%0.18937%0.365CS..Hα-helixtrans-60.8-48177.8-68.8-175.972.9-158.77.5111.4D98 L101 L102 A109 L110 I111 Q115 L116 I117D98-R113 WeakPolarHBondContact OD1-CG 3.37Å; D98-R113 IonicContact OD1-CZ 3.97Å; D98-R113 IonicContact OD1-NE 3.43Å; D98-R113 PolarHBondContact OD1-NE 3.39Å; D98-R113 IonicContact OD1-NH2 3.57Å; D98-R113 IonicContact OD2-CZ 3.7Å; D98-R113 IonicContact OD2-NE 2.65Å; D98-R113 PolarHBondContact OD2-NE 3.13Å; D98-R113 IonicContact OD2-NH2 3.48Å; D98-R113 PolarHBondContact OD2-NH2 3.48Å; L101-R113 HydrophobicContact CB-CG 3.67Å; L101-R113 HydrophobicContact CD1-CG 3.89Å; L101-R113 HydrophobicContact CG-CG 4.45Å; L102-R113 VanDerWaalsContact CB-NH1 3.26Å; A109-R113 VanDerWaalsContact O-CG 3.28Å; A109-R113 WeakPolarHBondContact O-CG 3.42Å; A109-R113 PolarHBondContact O-N 2.65Å; L110-R113 PolarHBondContact O-N 3.33Å; I111-R113 PolarHBondContact O-N 3.43Å; R113-Q115 VanDerWaalsContact C-N 3.3Å; R113-Q115 PolarHBondContact O-N 3.43Å; R113-L116 PolarHBondContact O-N 2.76Å; R113-I117 WeakPolarHBondContact O-CB 3.24Å; R113-I117 WeakPolarHBondContact O-CG2 3.22Å; R113-I117 PolarHBondContact O-N 3.01Å
114Q88.8Confident86.5Confident144 Ų14470.6 Ų70.667%0.67336%0.357SS*.Hα-helixtrans-59.1-41.5-178.9-175.7176.3000112.5L110 I111 M112L110-Q114 WeakPolarHBondContact O-CB 3.24Å; L110-Q114 PolarHBondContact O-N 3.4Å; I111-Q114 PolarHBondContact O-N 3.33Å; M112-Q114 PolarHBondContact O-N 2.95Å
115Q88.3Confident87.2Confident56 Ų5673.4 Ų73.426%0.26237%0.367SS..Hα-helixtrans-78.6-31.7-178.8-66.3-56-29.800113.3I111 M112 R113 K119 L130 I133I111-Q115 HydrophobicContact CG2-CG 4.4Å; I111-Q115 WeakPolarHBondContact O-CG 3.38Å; I111-Q115 PolarHBondContact O-N 2.93Å; M112-Q115 PolarHBondContact O-N 3.4Å; R113-Q115 VanDerWaalsContact C-N 3.3Å; R113-Q115 PolarHBondContact O-N 3.43Å; Q115-K119 WeakPolarHBondContact O-CG 3.28Å; Q115-L130 HydrophobicContact CB-CD2 3.7Å; Q115-L130 HydrophobicContact CG-CD2 3.76Å; Q115-I133 HydrophobicContact CG-CD1 3.84Å; Q115-I133 VanDerWaalsContact NE2-CD1 3.26Å
116L89.6Confident88Confident0 Ų069 Ų690%034%0.343CS..Hα-helixtrans-102.4-13.3-170.9-57.7172.5000114.3L85 V89 W94 M112 R113 R118 K119 C122 D126 L130L85-L116 HydrophobicContact CD1-CD1 4.46Å; L85-L116 HydrophobicContact CD2-CD1 3.7Å; V89-L116 HydrophobicContact CG1-CB 4.4Å; V89-L116 HydrophobicContact CG1-CD2 4.39Å; V89-L116 HydrophobicContact CG2-CB 4.38Å; V89-L116 HydrophobicContact CG2-CD1 3.89Å; V89-L116 HydrophobicContact CG2-CD2 4.41Å; V89-L116 HydrophobicContact CG2-CG 4.46Å; W94-L116 HydrophobicContact CH2-CD1 3.9Å; W94-L116 HydrophobicContact CZ2-CB 3.9Å; W94-L116 HydrophobicContact CZ2-CD1 4.05Å; M112-L116 HydrophobicContact CB-CD1 4.45Å; M112-L116 WeakPolarHBondContact O-CB 3.43Å; M112-L116 VanDerWaalsContact O-CG 3.24Å; M112-L116 WeakPolarHBondContact O-CG 3.4Å; M112-L116 PolarHBondContact O-N 3.41Å; R113-L116 PolarHBondContact O-N 2.76Å; L116-R118 PolarHBondContact O-N 3.19Å; L116-K119 HydrophobicContact CD2-CG 4.46Å; L116-K119 PolarHBondContact O-N 3.25Å; L116-C122 HydrophobicContact CD2-CB 4.23Å; L116-D126 HydrophobicContact CD2-CB 4.47Å; L116-L130 HydrophobicContact CD1-CD1 4.23Å
117I84.1Confident88.4Confident105 Ų10567.3 Ų67.354%0.53833%0.332SS..THydrogen-bonded Turntrans-54.4-26.8-173.4-173.5164.8000115.2R113R113-I117 WeakPolarHBondContact O-CB 3.24Å; R113-I117 WeakPolarHBondContact O-CG2 3.22Å; R113-I117 PolarHBondContact O-N 3.01Å
118R85.1Confident88.7Confident238 Ų23873.2 Ų73.290%0.89836%0.357SS*.THydrogen-bonded Turntrans-116.26-179.9-70174.4-173.1-1742.5113.5L116L116-R118 PolarHBondContact O-N 3.19Å
119K90.2Very high88.9Confident86 Ų8675.1 Ų75.137%0.37436%0.364SS..  trans-84.4133.4-178.4-70.7-86.8-178.1153.40109.3V89 Q115 L116 S121 D126V89-K119 HydrophobicContact CG1-CB 3.96Å; Q115-K119 WeakPolarHBondContact O-CG 3.28Å; L116-K119 HydrophobicContact CD2-CG 4.46Å; L116-K119 PolarHBondContact O-N 3.25Å; K119-S121 VanDerWaalsContact C-N 3.26Å; K119-S121 WeakPolarHBondContact CB-O 3.44Å; K119-D126 WeakPolarHBondContact CE-OD1 3.24Å; K119-D126 IonicContact NZ-OD1 2.75Å; K119-D126 PolarHBondContact NZ-OD1 2.97Å; K119-D126 IonicContact NZ-OD2 2.68Å
120S92Very high89Confident103 Ų10375.3 Ų75.372%0.7237%0.365SS*.SBendtrans-82-7.2172.557.40000113.1G90G90-S120 WeakPolarHBondContact CA-O 3.4Å
121S92.4Very high89Confident60 Ų6076 Ų7642%0.4237%0.368SS..SBendtrans-166.3152.6-180530000108.5K119K119-S121 VanDerWaalsContact C-N 3.26Å; K119-S121 WeakPolarHBondContact CB-O 3.44Å
122C92.2Very high88.9Confident10 Ų1082 Ų827%0.06840%0.396CS..  trans-105.2137.7169.1-174.20000109.3L85 L86 V89 L116L85-C122 WeakPolarHBondContact O-CB 3.28Å; L86-C122 WeakPolarHBondContact CD2-O 3.08Å; V89-C122 HydrophobicContact CB-CB 3.71Å; V89-C122 HydrophobicContact CG1-CB 4.04Å; V89-C122 HydrophobicContact CG2-CB 3.83Å; L116-C122 HydrophobicContact CD2-CB 4.23Å
123T92Very high88.8Confident52 Ų5282.7 Ų82.732%0.31940%0.399SS..  trans-113.3168175.763.20000110.6E125 D126 L127T123-E125 PolarHBondContact O-N 3.42Å; T123-D126 PolarHBondContact N-OD2 2.71Å; T123-D126 WeakPolarHBondContact O-CB 3.22Å; T123-D126 PolarHBondContact O-N 3.18Å; T123-D126 VanDerWaalsContact O-N 3.13Å; T123-D126 PolarHBondContact OG1-N 3.46Å; T123-D126 PolarHBondContact OG1-OD2 2.79Å; T123-L127 PolarHBondContact O-N 2.78Å
124E90.2Very high88.6Confident124 Ų12485.2 Ų85.258%0.57941%0.409SS*.Hα-helixtrans-59.5-34.6173.6-64.287.4161.400111.9D126 L127 F128E124-D126 VanDerWaalsContact C-N 3.34Å; E124-D126 PolarHBondContact O-N 2.95Å; E124-L127 WeakPolarHBondContact O-CB 3.43Å; E124-L127 PolarHBondContact O-N 3.44Å; E124-F128 WeakPolarHBondContact O-CD2 3.29Å; E124-F128 PolarHBondContact O-N 3.22Å
125E90Very high88.3Confident160 Ų16084 Ų8475%0.74841%0.407SS*.Hα-helixtrans-61-42.5174.7-67.9-177.7176.700111.6T123 L127 F128 E129T123-E125 PolarHBondContact O-N 3.42Å; E125-L127 VanDerWaalsContact C-N 3.29Å; E125-L127 PolarHBondContact O-N 2.87Å; E125-F128 PolarHBondContact O-N 3.49Å; E125-E129 PolarHBondContact O-N 3.38Å
126D91Very high88.1Confident15 Ų1584.7 Ų84.78%0.0842%0.419CS..Hα-helixtrans-61.7-39.5175.4-59.8-62.4000111L116 K119 T123 E124 E129 L130L116-D126 HydrophobicContact CD2-CB 4.47Å; K119-D126 WeakPolarHBondContact CE-OD1 3.24Å; K119-D126 IonicContact NZ-OD1 2.75Å; K119-D126 PolarHBondContact NZ-OD1 2.97Å; K119-D126 IonicContact NZ-OD2 2.68Å; T123-D126 PolarHBondContact N-OD2 2.71Å; T123-D126 WeakPolarHBondContact O-CB 3.22Å; T123-D126 PolarHBondContact O-N 3.18Å; T123-D126 VanDerWaalsContact O-N 3.13Å; T123-D126 PolarHBondContact OG1-N 3.46Å; T123-D126 PolarHBondContact OG1-OD2 2.79Å; E124-D126 VanDerWaalsContact C-N 3.34Å; E124-D126 PolarHBondContact O-N 2.95Å; D126-E129 PolarHBondContact O-N 3.05Å; D126-L130 VanDerWaalsContact O-CG 3.26Å; D126-L130 WeakPolarHBondContact O-CG 3.04Å; D126-L130 PolarHBondContact O-N 3.27Å
127L88.9Confident87.2Confident29 Ų2989.1 Ų89.115%0.15244%0.44CS..Hα-helixtrans-63.6-42.1176.1-62.6-178.7000112P82 L85 L86 T123 E124 E125 E129 L130 I131P82-L127 HydrophobicContact CB-CD1 4.09Å; L85-L127 HydrophobicContact CB-CD2 4.05Å; L85-L127 HydrophobicContact CD1-CD2 3.63Å; L85-L127 HydrophobicContact CG-CD2 4.5Å; L86-L127 HydrophobicContact CD1-CD1 4.06Å; L86-L127 HydrophobicContact CD2-CD1 4Å; L86-L127 HydrophobicContact CD2-CG 4.4Å; L86-L127 HydrophobicContact CG-CD1 3.99Å; T123-L127 PolarHBondContact O-N 2.78Å; E124-L127 WeakPolarHBondContact O-CB 3.43Å; E124-L127 PolarHBondContact O-N 3.44Å; E125-L127 VanDerWaalsContact C-N 3.29Å; E125-L127 PolarHBondContact O-N 2.87Å; L127-E129 VanDerWaalsContact C-N 3.34Å; L127-L130 HydrophobicContact CD2-CD1 4.25Å; L127-L130 WeakPolarHBondContact O-CB 3.41Å; L127-L130 PolarHBondContact O-N 3.18Å; L127-I131 WeakPolarHBondContact O-CG1 3.32Å; L127-I131 PolarHBondContact O-N 2.93Å; L127-I131 VanDerWaalsContact O-N 3.08Å
128F88.1Confident86Confident150 Ų15089.2 Ų89.266%0.65845%0.45SS*.Hα-helixtrans-64.2-40175.3-76.2-65.4000111.8E124 E125 I131 H132E124-F128 WeakPolarHBondContact O-CD2 3.29Å; E124-F128 PolarHBondContact O-N 3.22Å; E125-F128 PolarHBondContact O-N 3.49Å; F128-I131 PolarHBondContact O-N 3.49Å; F128-H132 WeakPolarHBondContact O-CB 3.37Å; F128-H132 PolarHBondContact O-N 3.21Å
129E88.4Confident84.3Confident93 Ų9382.3 Ų82.344%0.43544%0.437SS..Hα-helixtrans-63.4-43.5175.6-172.6173.3-169.100111.4E125 D126 L127 I131 H132 I133E125-E129 PolarHBondContact O-N 3.38Å; D126-E129 PolarHBondContact O-N 3.05Å; L127-E129 VanDerWaalsContact C-N 3.34Å; E129-I131 VanDerWaalsContact C-N 3.35Å; E129-I131 PolarHBondContact O-N 3.19Å; E129-H132 PolarHBondContact O-N 3.02Å; E129-I133 HydrophobicContact CG-CD1 3.84Å; E129-I133 HydrophobicContact CG-CG1 4.32Å; E129-I133 VanDerWaalsContact O-CG1 3.27Å; E129-I133 WeakPolarHBondContact O-CG1 3.22Å; E129-I133 PolarHBondContact O-N 3.33Å
130L88.1Confident82.1Confident6 Ų680.3 Ų80.33%0.03143%0.433CS..Hα-helixtrans-56.6-47.1174.6-72.8172.2000112.1L85 I111 M112 Q115 L116 D126 L127 H132 I133 Y134L85-L130 HydrophobicContact CD1-CD1 4.13Å; I111-L130 HydrophobicContact CG2-CD2 3.71Å; M112-L130 HydrophobicContact CB-CD2 4.48Å; M112-L130 HydrophobicContact CG-CD1 4.1Å; M112-L130 HydrophobicContact CG-CD2 4.09Å; Q115-L130 HydrophobicContact CB-CD2 3.7Å; Q115-L130 HydrophobicContact CG-CD2 3.76Å; L116-L130 HydrophobicContact CD1-CD1 4.23Å; D126-L130 VanDerWaalsContact O-CG 3.26Å; D126-L130 WeakPolarHBondContact O-CG 3.04Å; D126-L130 PolarHBondContact O-N 3.27Å; L127-L130 HydrophobicContact CD2-CD1 4.25Å; L127-L130 WeakPolarHBondContact O-CB 3.41Å; L127-L130 PolarHBondContact O-N 3.18Å; L130-H132 VanDerWaalsContact C-N 3.34Å; L130-I133 PolarHBondContact O-N 3.46Å; L130-Y134 WeakPolarHBondContact O-CB 3.47Å; L130-Y134 PolarHBondContact O-N 3.07Å
131I84.4Confident79.9Confident95 Ų9580 Ų8049%0.48743%0.431SS..Hα-helixtrans-63.4-43.5178-67.7165.7000110.4L127 F128 E129 Y134 N135L127-I131 WeakPolarHBondContact O-CG1 3.32Å; L127-I131 PolarHBondContact O-N 2.93Å; L127-I131 VanDerWaalsContact O-N 3.08Å; F128-I131 PolarHBondContact O-N 3.49Å; E129-I131 VanDerWaalsContact C-N 3.35Å; E129-I131 PolarHBondContact O-N 3.19Å; I131-Y134 PolarHBondContact O-N 3.2Å; I131-N135 WeakPolarHBondContact CG2-ND2 3.43Å; I131-N135 WeakPolarHBondContact O-CB 3.49Å; I131-N135 PolarHBondContact O-N 3.16Å; I131-N135 PolarHBondContact O-ND2 2.68Å; I131-N135 VanDerWaalsContact O-ND2 3.08Å
132H86.3Confident77.4Confident135 Ų13585.8 Ų85.863%0.62545%0.451SS*.Hα-helixtrans-61.6-49178.5-177.369.3000111.4F128 E129 L130 Y134 N135 S136F128-H132 WeakPolarHBondContact O-CB 3.37Å; F128-H132 PolarHBondContact O-N 3.21Å; E129-H132 PolarHBondContact O-N 3.02Å; L130-H132 VanDerWaalsContact C-N 3.34Å; H132-Y134 PolarHBondContact O-N 2.64Å; H132-N135 PolarHBondContact O-N 3.21Å; H132-S136 VanDerWaalsContact O-CB 3.31Å; H132-S136 WeakPolarHBondContact O-CB 3.44Å; H132-S136 PolarHBondContact O-N 2.98Å; H132-S136 PolarHBondContact O-OG 3.34Å
133I86.4Confident74.8Confident25 Ų2590.7 Ų90.713%0.12848%0.476CS..Hα-helixtrans-58.9-52.7177.5-66.1167.5000109.3I111 Q115 E129 L130 N135 S136 Q137I111-I133 HydrophobicContact CD1-CG2 3.97Å; I111-I133 HydrophobicContact CG1-CG2 4.04Å; I111-I133 HydrophobicContact CG2-CB 4.05Å; I111-I133 HydrophobicContact CG2-CG2 3.77Å; Q115-I133 HydrophobicContact CG-CD1 3.84Å; Q115-I133 VanDerWaalsContact NE2-CD1 3.26Å; E129-I133 HydrophobicContact CG-CD1 3.84Å; E129-I133 HydrophobicContact CG-CG1 4.32Å; E129-I133 VanDerWaalsContact O-CG1 3.27Å; E129-I133 WeakPolarHBondContact O-CG1 3.22Å; E129-I133 PolarHBondContact O-N 3.33Å; L130-I133 PolarHBondContact O-N 3.46Å; I133-N135 VanDerWaalsContact C-N 3.28Å; I133-N135 PolarHBondContact O-N 2.65Å; I133-S136 WeakPolarHBondContact CA-OG 3.29Å; I133-S136 PolarHBondContact O-N 2.9Å; I133-S136 PolarHBondContact O-OG 2.75Å; I133-Q137 HydrophobicContact CG2-CG 4.23Å; I133-Q137 WeakPolarHBondContact O-CG 3.13Å; I133-Q137 PolarHBondContact O-N 3Å
134Y83.7Confident72Confident103 Ų10398.3 Ų98.340%0.40451%0.513SS..Hα-helixtrans-53.9-43.9-179.5179.5-97.1000112.7L107 L108 I111 L130 I131 H132L107-Y134 HydrophobicContact CB-CE2 4.37Å; L107-Y134 HydrophobicContact CD2-CD2 4.08Å; L107-Y134 HydrophobicContact CD2-CE2 3.96Å; L107-Y134 HydrophobicContact CG-CD2 4.11Å; L107-Y134 HydrophobicContact CG-CE2 4.16Å; L108-Y134 HydrophobicContact CB-CD2 3.99Å; L108-Y134 HydrophobicContact CB-CE2 3.96Å; L108-Y134 HydrophobicContact CD1-CD2 3.98Å; L108-Y134 HydrophobicContact CD1-CG 4.23Å; I111-Y134 HydrophobicContact CD1-CD2 4.07Å; L130-Y134 WeakPolarHBondContact O-CB 3.47Å; L130-Y134 PolarHBondContact O-N 3.07Å; I131-Y134 PolarHBondContact O-N 3.2Å; H132-Y134 PolarHBondContact O-N 2.64Å
135N83.8Confident71.1Confident118 Ų11897.1 Ų97.163%0.63151%0.51SS*.Hα-helixtrans-75.9-22.2179-69.3-36.2000113.8I131 H132 I133I131-N135 WeakPolarHBondContact CG2-ND2 3.43Å; I131-N135 WeakPolarHBondContact O-CB 3.49Å; I131-N135 PolarHBondContact O-N 3.16Å; I131-N135 PolarHBondContact O-ND2 2.68Å; I131-N135 VanDerWaalsContact O-ND2 3.08Å; H132-N135 PolarHBondContact O-N 3.21Å; I133-N135 VanDerWaalsContact C-N 3.28Å; I133-N135 PolarHBondContact O-N 2.65Å
136S84Confident70.1Confident71 Ų7193.7 Ų93.750%0.49750%0.498SS..Hα-helixtrans-84-21.2176.973.80000113.4H132 I133 S138H132-S136 VanDerWaalsContact O-CB 3.31Å; H132-S136 WeakPolarHBondContact O-CB 3.44Å; H132-S136 PolarHBondContact O-N 2.98Å; H132-S136 PolarHBondContact O-OG 3.34Å; I133-S136 WeakPolarHBondContact CA-OG 3.29Å; I133-S136 PolarHBondContact O-N 2.9Å; I133-S136 PolarHBondContact O-OG 2.75Å; S136-S138 PolarHBondContact O-N 3.37Å
137Q70.1Confident68.9Low94 Ų9498.1 Ų98.144%0.43952%0.521SS..SBendtrans-71117.8177.4-68-63.2-36.600109.3L107 I111 I133 C139L107-Q137 HydrophobicContact CD1-CG 4.47Å; L107-Q137 HydrophobicContact CD2-CB 4.17Å; I111-Q137 HydrophobicContact CD1-CG 4.17Å; I133-Q137 HydrophobicContact CG2-CG 4.23Å; I133-Q137 WeakPolarHBondContact O-CG 3.13Å; I133-Q137 PolarHBondContact O-N 3Å; Q137-C139 PolarHBondContact O-N 3.11Å; Q137-C139 VanDerWaalsContact O-N 3.13Å
138S59.2Low67.8Low107 Ų107102.2 Ų102.275%0.74854%0.543SS*.  trans-62.7114.1157.539.20000107.3S136S136-S138 PolarHBondContact O-N 3.37Å
139C48.3Very low66.5Low93 Ų9399.2 Ų99.263%0.62854%0.535SS*.  trans-29119.2-176.9-145.50000112.1Q137 S141Q137-C139 PolarHBondContact O-N 3.11Å; Q137-C139 VanDerWaalsContact O-N 3.13Å; C139-S141 PolarHBondContact O-N 3.48Å
140P44.7Very low65Low44 Ų4499.6 Ų99.629%0.28654%0.542SS..  trans-56.3128.4-178.2-18.124000109.7L107 Q142 L143L107-P140 HydrophobicContact CD1-CG 3.63Å; L107-P140 HydrophobicContact CD2-CG 4.21Å; L107-P140 HydrophobicContact CG-CG 4.33Å; P140-Q142 PolarHBondContact O-N 3.48Å; P140-L143 PolarHBondContact O-N 3.25Å
141S45.6Very low63.4Low97 Ų97106.3 Ų106.368%0.67858%0.579SS**G310 helixtrans-55.9-15.5-176.947.70000114.4C139 L143 L144C139-S141 PolarHBondContact O-N 3.48Å; S141-L143 PolarHBondContact O-N 3.26Å; S141-L144 PolarHBondContact O-N 3.22Å
142Q40.3Very low61.8Low180 Ų180107.2 Ų107.284%0.84159%0.586SS**G310 helixtrans-75.8-3.2175.9-64.2-177.2-16.800114.3P140P140-Q142 PolarHBondContact O-N 3.48Å
143L37.5Very low59.7Low114 Ų114104.8 Ų104.860%0.59758%0.582SS**G310 helixtrans-103.94.5172.8-73.2169.8000113.9P140 S141P140-L143 PolarHBondContact O-N 3.25Å; S141-L143 PolarHBondContact O-N 3.26Å
144L33.2Very low57.3Low212 Ų212112.1 Ų112.1100%1.1162%0.624SS**  trans-97.50167.5-70.5170.2000110.1S141S141-L144 PolarHBondContact O-N 3.22Å

Retrieved 144 of 144 residues in 36.8 ms (Link to these results)

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