A0A077ZNR4_TRITR Loading...

Peptidase M13 N domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZNR4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 93 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M69.3Low86.7Confident179 Ų17983.4 Ų83.488%0.88245%0.452SS*.  0-50.50-175.7179.774.600110.8D3 N4M1-D3 VanDerWaalsContact C-N 3.28Å; M1-D3 PolarHBondContact O-N 3.32Å; M1-N4 PolarHBondContact O-N 2.62Å
2I80.9Confident87.2Confident35 Ų3583.3 Ų83.318%0.17945%0.45CS..Hα-helixtrans-63-33.3-179.3-164.958.3000113.2N4 L5 I6 I38I2-N4 PolarHBondContact O-N 2.71Å; I2-L5 HydrophobicContact CD1-CB 4.27Å; I2-L5 HydrophobicContact CD1-CD2 4.15Å; I2-L5 WeakPolarHBondContact O-CA 2.85Å; I2-L5 WeakPolarHBondContact O-CB 3.42Å; I2-L5 PolarHBondContact O-N 2.82Å; I2-I6 HydrophobicContact CG1-CD1 4.25Å; I2-I6 HydrophobicContact CG1-CG1 4.45Å; I2-I6 PolarHBondContact O-N 3.44Å; I2-I38 HydrophobicContact CB-CD1 4.38Å; I2-I38 HydrophobicContact CD1-CD1 3.61Å; I2-I38 HydrophobicContact CG1-CD1 4.05Å
3D82.7Confident87.7Confident104 Ų10477.2 Ų77.256%0.55642%0.417SS*.Hα-helixtrans-60.2-35.9177.8-46.5-56.8000112.2M1 L5 I6 S7M1-D3 VanDerWaalsContact C-N 3.28Å; M1-D3 PolarHBondContact O-N 3.32Å; D3-L5 VanDerWaalsContact C-N 3.32Å; D3-I6 PolarHBondContact O-N 2.81Å; D3-S7 VanDerWaalsContact O-CB 3.24Å; D3-S7 WeakPolarHBondContact O-CB 3.32Å; D3-S7 PolarHBondContact O-N 3.25Å; D3-S7 PolarHBondContact O-OG 3.09Å
4N86.6Confident88Confident115 Ų11577.7 Ų77.762%0.61542%0.419SS*.Hα-helixtrans-67.6-36.4175.8-67.3-9.6000111.1M1 I2 S8M1-N4 PolarHBondContact O-N 2.62Å; I2-N4 PolarHBondContact O-N 2.71Å; N4-S8 VanDerWaalsContact O-CB 3.31Å; N4-S8 WeakPolarHBondContact O-CB 3.04Å; N4-S8 PolarHBondContact O-N 3.49Å; N4-S8 PolarHBondContact O-OG 3.48Å
5L87.1Confident88.3Confident112 Ų11281.8 Ų81.859%0.58644%0.435SS*.Hα-helixtrans-69.5-45.2177.1-176.5149.4000110.6I2 D3 S7 S8 F9I2-L5 HydrophobicContact CD1-CB 4.27Å; I2-L5 HydrophobicContact CD1-CD2 4.15Å; I2-L5 WeakPolarHBondContact O-CA 2.85Å; I2-L5 WeakPolarHBondContact O-CB 3.42Å; I2-L5 PolarHBondContact O-N 2.82Å; D3-L5 VanDerWaalsContact C-N 3.32Å; L5-S7 VanDerWaalsContact C-N 3.35Å; L5-S7 PolarHBondContact O-N 3.27Å; L5-S8 PolarHBondContact O-N 3.02Å; L5-F9 WeakPolarHBondContact O-CB 3.26Å; L5-F9 PolarHBondContact O-N 2.6Å
6I88.4Confident88.5Confident26 Ų2680.1 Ų80.113%0.13343%0.426CS..Hα-helixtrans-60.4-46.8174.7-65.6172.2000109.8I2 D3 S8 F9 L10 L32I2-I6 HydrophobicContact CG1-CD1 4.25Å; I2-I6 HydrophobicContact CG1-CG1 4.45Å; I2-I6 PolarHBondContact O-N 3.44Å; D3-I6 PolarHBondContact O-N 2.81Å; I6-S8 VanDerWaalsContact C-N 3.34Å; I6-S8 PolarHBondContact O-N 3.45Å; I6-F9 WeakPolarHBondContact O-CB 3.46Å; I6-F9 PolarHBondContact O-N 3.43Å; I6-F9 VanDerWaalsContact O-N 3.13Å; I6-L10 HydrophobicContact CG2-CD1 4.13Å; I6-L10 HydrophobicContact CG2-CG 4.38Å; I6-L10 WeakPolarHBondContact O-CG 3.45Å; I6-L10 PolarHBondContact O-N 2.93Å; I6-L32 HydrophobicContact CG2-CD2 4.35Å
7S90Very high88.7Confident63 Ų6384.9 Ų84.944%0.44145%0.451SS..Hα-helixtrans-61.3-41.8178.3-58.80000112.4D3 L5 F9 L10 T11D3-S7 VanDerWaalsContact O-CB 3.24Å; D3-S7 WeakPolarHBondContact O-CB 3.32Å; D3-S7 PolarHBondContact O-N 3.25Å; D3-S7 PolarHBondContact O-OG 3.09Å; L5-S7 VanDerWaalsContact C-N 3.35Å; L5-S7 PolarHBondContact O-N 3.27Å; S7-F9 VanDerWaalsContact C-N 3.34Å; S7-L10 PolarHBondContact O-N 2.93Å; S7-T11 PolarHBondContact O-N 3.27Å; S7-T11 PolarHBondContact O-OG1 3.29Å
8S91Very high89Confident69 Ų6990.7 Ų90.748%0.48347%0.466SS..Hα-helixtrans-62.5-43174.4-59.30000111N4 L5 I6 T11 I12N4-S8 VanDerWaalsContact O-CB 3.31Å; N4-S8 WeakPolarHBondContact O-CB 3.04Å; N4-S8 PolarHBondContact O-N 3.49Å; N4-S8 PolarHBondContact O-OG 3.48Å; L5-S8 PolarHBondContact O-N 3.02Å; I6-S8 VanDerWaalsContact C-N 3.34Å; I6-S8 PolarHBondContact O-N 3.45Å; S8-T11 WeakPolarHBondContact O-CB 3.41Å; S8-T11 PolarHBondContact O-N 2.92Å; S8-I12 VanDerWaalsContact O-CG1 3.3Å; S8-I12 WeakPolarHBondContact O-CG1 3.44Å; S8-I12 PolarHBondContact O-N 3.14Å
9F89.9Confident89.1Confident102 Ų10287.3 Ų87.345%0.44745%0.448SS..Hα-helixtrans-65.3-40.1178.7-165.8-107.9000112.5L5 I6 S7 T11 I12 I13 A31L5-F9 WeakPolarHBondContact O-CB 3.26Å; L5-F9 PolarHBondContact O-N 2.6Å; I6-F9 WeakPolarHBondContact O-CB 3.46Å; I6-F9 PolarHBondContact O-N 3.43Å; I6-F9 VanDerWaalsContact O-N 3.13Å; S7-F9 VanDerWaalsContact C-N 3.34Å; F9-T11 VanDerWaalsContact C-N 3.32Å; F9-T11 PolarHBondContact O-N 3.47Å; F9-I12 PolarHBondContact O-N 3.42Å; F9-I13 HydrophobicContact CD1-CD1 3.68Å; F9-I13 HydrophobicContact CD1-CG1 4.39Å; F9-I13 HydrophobicContact CE1-CD1 3.57Å; F9-I13 HydrophobicContact CE1-CG1 4.24Å; F9-I13 HydrophobicContact CZ-CD1 4.4Å; F9-I13 WeakPolarHBondContact O-CG1 3.48Å; F9-I13 PolarHBondContact O-N 3.19Å; F9-A31 HydrophobicContact CD1-CB 3.77Å; F9-A31 HydrophobicContact CE1-CB 4.17Å
10L93.4Very high89.4Confident36 Ų3687.4 Ų87.419%0.18845%0.45CS..Hα-helixtrans-61.9-40.9174-68.2173.4000111.7I6 S7 I13 D14 K28 A31 L32I6-L10 HydrophobicContact CG2-CD1 4.13Å; I6-L10 HydrophobicContact CG2-CG 4.38Å; I6-L10 WeakPolarHBondContact O-CG 3.45Å; I6-L10 PolarHBondContact O-N 2.93Å; S7-L10 PolarHBondContact O-N 2.93Å; L10-I13 PolarHBondContact O-N 3.13Å; L10-D14 PolarHBondContact O-N 3.27Å; L10-D14 VanDerWaalsContact O-N 3.13Å; L10-K28 HydrophobicContact CD2-CB 3.79Å; L10-K28 HydrophobicContact CD2-CD 4.47Å; L10-K28 HydrophobicContact CD2-CG 3.69Å; L10-A31 HydrophobicContact CD2-CB 4.05Å; L10-L32 HydrophobicContact CD1-CD2 3.97Å; L10-L32 HydrophobicContact CD1-CG 4.43Å
11T94Very high89.5Confident76 Ų7692.1 Ų92.147%0.46647%0.467SS..Hα-helixtrans-62.4-45.3175.7-53.60000110.8S7 S8 F9 I13 D14 E15S7-T11 PolarHBondContact O-N 3.27Å; S7-T11 PolarHBondContact O-OG1 3.29Å; S8-T11 WeakPolarHBondContact O-CB 3.41Å; S8-T11 PolarHBondContact O-N 2.92Å; F9-T11 VanDerWaalsContact C-N 3.32Å; F9-T11 PolarHBondContact O-N 3.47Å; T11-I13 VanDerWaalsContact C-N 3.35Å; T11-I13 PolarHBondContact O-N 3.02Å; T11-D14 WeakPolarHBondContact O-CB 3.34Å; T11-D14 PolarHBondContact O-N 2.87Å; T11-D14 VanDerWaalsContact O-N 3.14Å; T11-E15 PolarHBondContact O-N 2.95Å
12I93.3Very high90.7Very high83 Ų8389 Ų8943%0.42646%0.458SS..Hα-helixtrans-59-46176-68.4163.5000110.6S8 F9 D14 E15 L16S8-I12 VanDerWaalsContact O-CG1 3.3Å; S8-I12 WeakPolarHBondContact O-CG1 3.44Å; S8-I12 PolarHBondContact O-N 3.14Å; F9-I12 PolarHBondContact O-N 3.42Å; I12-D14 PolarHBondContact O-N 3.31Å; I12-E15 PolarHBondContact O-N 2.95Å; I12-E15 VanDerWaalsContact O-N 3.11Å; I12-L16 HydrophobicContact CG2-CD1 4.36Å; I12-L16 HydrophobicContact CG2-CG 4.39Å; I12-L16 WeakPolarHBondContact O-CG 3.44Å; I12-L16 PolarHBondContact O-N 3.49Å
13I93Very high91.3Very high4 Ų490.2 Ų90.22%0.02147%0.467CS..Hα-helixtrans-57.8-38.3178.1-70.8165000111.5F9 L10 T11 E15 L16 K24 A27 K28F9-I13 HydrophobicContact CD1-CD1 3.68Å; F9-I13 HydrophobicContact CD1-CG1 4.39Å; F9-I13 HydrophobicContact CE1-CD1 3.57Å; F9-I13 HydrophobicContact CE1-CG1 4.24Å; F9-I13 HydrophobicContact CZ-CD1 4.4Å; F9-I13 WeakPolarHBondContact O-CG1 3.48Å; F9-I13 PolarHBondContact O-N 3.19Å; L10-I13 PolarHBondContact O-N 3.13Å; T11-I13 VanDerWaalsContact C-N 3.35Å; T11-I13 PolarHBondContact O-N 3.02Å; I13-E15 VanDerWaalsContact C-N 3.34Å; I13-L16 PolarHBondContact O-N 3.19Å; I13-K24 HydrophobicContact CG2-CB 4.01Å; I13-K24 HydrophobicContact CG2-CG 4.03Å; I13-K24 WeakPolarHBondContact O-CD 3.23Å; I13-K24 VanDerWaalsContact O-CE 3.23Å; I13-K24 WeakPolarHBondContact O-CE 3.44Å; I13-K24 PolarHBondContact O-NZ 3.41Å; I13-A27 HydrophobicContact CD1-CB 3.83Å; I13-A27 HydrophobicContact CG1-CB 4.39Å; I13-A27 HydrophobicContact CG2-CB 4.35Å; I13-K28 HydrophobicContact CD1-CG 4.45Å; I13-K28 HydrophobicContact CG2-CG 4.04Å
14D91.9Very high91.8Very high84 Ų8486.9 Ų86.945%0.44945%0.448SS..Hα-helixtrans-65.5-37.2178.3-82.6-36.4000112.8L10 T11 I12 K24 K28L10-D14 PolarHBondContact O-N 3.27Å; L10-D14 VanDerWaalsContact O-N 3.13Å; T11-D14 WeakPolarHBondContact O-CB 3.34Å; T11-D14 PolarHBondContact O-N 2.87Å; T11-D14 VanDerWaalsContact O-N 3.14Å; I12-D14 PolarHBondContact O-N 3.31Å; D14-K24 PolarHBondContact O-NZ 3.41Å; D14-K28 WeakPolarHBondContact OD1-CE 3.35Å; D14-K28 IonicContact OD1-NZ 2.62Å; D14-K28 PolarHBondContact OD1-NZ 3.47Å; D14-K28 WeakPolarHBondContact OD2-CE 3.39Å; D14-K28 IonicContact OD2-NZ 2.81Å; D14-K28 PolarHBondContact OD2-NZ 3.25Å
15E93.3Very high92.2Very high139 Ų13986 Ų8665%0.6544%0.44SS*.Hα-helixtrans-78.2-17.2-179.3-66.9176.9179.300114.4T11 I12 I13 D17T11-E15 PolarHBondContact O-N 2.95Å; I12-E15 PolarHBondContact O-N 2.95Å; I12-E15 VanDerWaalsContact O-N 3.11Å; I13-E15 VanDerWaalsContact C-N 3.34Å; E15-D17 PolarHBondContact O-N 3.48Å
16L91.4Very high92.5Very high55 Ų5583.2 Ų83.229%0.28843%0.433SS..  trans-72.3117.8-177.1-72173.4000112.7I12 I13 W18 K24I12-L16 HydrophobicContact CG2-CD1 4.36Å; I12-L16 HydrophobicContact CG2-CG 4.39Å; I12-L16 WeakPolarHBondContact O-CG 3.44Å; I12-L16 PolarHBondContact O-N 3.49Å; I13-L16 PolarHBondContact O-N 3.19Å; L16-W18 HydrophobicContact CD1-CZ2 4.5Å; L16-K24 WeakPolarHBondContact O-CE 3.38Å; L16-K24 PolarHBondContact O-NZ 3.04Å
17D91.9Very high92.7Very high161 Ų16183 Ų8386%0.86144%0.435SS*.THydrogen-bonded Turntrans-81.5-19.2-179.1-67.1-39.8000114.9E15 M19E15-D17 PolarHBondContact O-N 3.48Å; D17-M19 VanDerWaalsContact C-N 3.3Å; D17-M19 PolarHBondContact O-N 3.11Å
18W94.4Very high92.9Very high189 Ų18982.3 Ų82.372%0.71642%0.424SS*.THydrogen-bonded Turntrans-77.1-17.5-174.469-93.5000113.7L16L16-W18 HydrophobicContact CD1-CZ2 4.5Å
19M91.3Very high93Very high26 Ų2684.2 Ų84.213%0.12843%0.425CS..SBendtrans-99.6128.2-174-171.5-177.4-7300110.2D17 T23 K24 A27D17-M19 VanDerWaalsContact C-N 3.3Å; D17-M19 PolarHBondContact O-N 3.11Å; M19-T23 HydrophobicContact CE-CG2 4Å; M19-T23 VanDerWaalsContact CG-CB 3.44Å; M19-T23 HydrophobicContact CG-CG2 3.48Å; M19-T23 VanDerWaalsContact CG-CG2 3.48Å; M19-T23 HydrophobicContact SD-CG2 3.67Å; M19-K24 HydrophobicContact CB-CG 3.97Å; M19-K24 HydrophobicContact CG-CG 3.75Å; M19-K24 WeakPolarHBondContact O-CE 3.48Å; M19-K24 WeakPolarHBondContact SD-CA 3.32Å; M19-K24 HydrophobicContact SD-CB 4.08Å; M19-K24 HydrophobicContact SD-CG 3.58Å; M19-K24 VanDerWaalsContact SD-CG 3.58Å; M19-K24 PolarHBondContact SD-N 2.92Å; M19-A27 HydrophobicContact CE-CB 4.36Å; M19-A27 HydrophobicContact SD-CB 4.14Å
20D93.5Very high93Very high89 Ų8987 Ų8748%0.47644%0.438SS..  trans-66.8163173.571.888.7000111.5V22 T23 K24D20-V22 VanDerWaalsContact C-N 3.29Å; D20-V22 PolarHBondContact O-N 3.2Å; D20-V22 WeakPolarHBondContact OD1-CA 3.24Å; D20-V22 VanDerWaalsContact OD1-CB 3.32Å; D20-V22 WeakPolarHBondContact OD1-CB 3.3Å; D20-V22 PolarHBondContact OD1-N 2.94Å; D20-T23 PolarHBondContact O-N 3.22Å; D20-T23 PolarHBondContact OD1-N 2.94Å; D20-T23 PolarHBondContact OD1-OG1 3.37Å; D20-T23 VanDerWaalsContact OD2-CB 3.26Å; D20-T23 WeakPolarHBondContact OD2-CB 3.34Å; D20-T23 PolarHBondContact OD2-OG1 2.7Å; D20-K24 PolarHBondContact O-N 3.49Å
21K92.6Very high92.7Very high187 Ų18785.4 Ų85.481%0.81343%0.429SS*.Hα-helixtrans-60.7-35.2-174.8-67.5-175.1178.9-178.30113.6K24 Q25K21-K24 PolarHBondContact O-N 3.28Å; K21-Q25 PolarHBondContact O-N 3.27Å; K21-Q25 VanDerWaalsContact O-N 3.09Å
22V93.6Very high92.4Very high114 Ų11487.5 Ų87.569%0.69144%0.437SS*.Hα-helixtrans-70.1-44.8-179.1-179.80000109.2D20 K24 Q25 A26D20-V22 VanDerWaalsContact C-N 3.29Å; D20-V22 PolarHBondContact O-N 3.2Å; D20-V22 WeakPolarHBondContact OD1-CA 3.24Å; D20-V22 VanDerWaalsContact OD1-CB 3.32Å; D20-V22 WeakPolarHBondContact OD1-CB 3.3Å; D20-V22 PolarHBondContact OD1-N 2.94Å; V22-K24 VanDerWaalsContact C-N 3.33Å; V22-K24 PolarHBondContact O-N 3.39Å; V22-Q25 PolarHBondContact O-N 3.5Å; V22-A26 PolarHBondContact O-N 2.89Å
23T93.8Very high92.1Very high60 Ų6087.2 Ų87.237%0.36845%0.447SS..Hα-helixtrans-64.7-37.2176.6-550000111.8M19 D20 Q25 A26 A27M19-T23 HydrophobicContact CE-CG2 4Å; M19-T23 VanDerWaalsContact CG-CB 3.44Å; M19-T23 HydrophobicContact CG-CG2 3.48Å; M19-T23 VanDerWaalsContact CG-CG2 3.48Å; M19-T23 HydrophobicContact SD-CG2 3.67Å; D20-T23 PolarHBondContact O-N 3.22Å; D20-T23 PolarHBondContact OD1-N 2.94Å; D20-T23 PolarHBondContact OD1-OG1 3.37Å; D20-T23 VanDerWaalsContact OD2-CB 3.26Å; D20-T23 WeakPolarHBondContact OD2-CB 3.34Å; D20-T23 PolarHBondContact OD2-OG1 2.7Å; T23-Q25 PolarHBondContact O-N 2.84Å; T23-A26 PolarHBondContact O-N 2.89Å; T23-A27 WeakPolarHBondContact O-CB 3.38Å; T23-A27 PolarHBondContact O-N 3.38Å
24K94.3Very high91.6Very high35 Ų3591.5 Ų91.515%0.15247%0.469CS..Hα-helixtrans-59.7-47.1173.4-75.3-170.7179.3-1690111.6I13 D14 L16 M19 D20 K21 V22 A26 A27 K28I13-K24 HydrophobicContact CG2-CB 4.01Å; I13-K24 HydrophobicContact CG2-CG 4.03Å; I13-K24 WeakPolarHBondContact O-CD 3.23Å; I13-K24 VanDerWaalsContact O-CE 3.23Å; I13-K24 WeakPolarHBondContact O-CE 3.44Å; I13-K24 PolarHBondContact O-NZ 3.41Å; D14-K24 PolarHBondContact O-NZ 3.41Å; L16-K24 WeakPolarHBondContact O-CE 3.38Å; L16-K24 PolarHBondContact O-NZ 3.04Å; M19-K24 HydrophobicContact CB-CG 3.97Å; M19-K24 HydrophobicContact CG-CG 3.75Å; M19-K24 WeakPolarHBondContact O-CE 3.48Å; M19-K24 WeakPolarHBondContact SD-CA 3.32Å; M19-K24 HydrophobicContact SD-CB 4.08Å; M19-K24 HydrophobicContact SD-CG 3.58Å; M19-K24 VanDerWaalsContact SD-CG 3.58Å; M19-K24 PolarHBondContact SD-N 2.92Å; D20-K24 PolarHBondContact O-N 3.49Å; K21-K24 PolarHBondContact O-N 3.28Å; V22-K24 VanDerWaalsContact C-N 3.33Å; V22-K24 PolarHBondContact O-N 3.39Å; K24-A26 PolarHBondContact O-N 2.89Å; K24-A27 PolarHBondContact O-N 3.33Å; K24-K28 WeakPolarHBondContact O-CG 3.43Å; K24-K28 PolarHBondContact O-N 2.89Å
25Q93.5Very high90.7Very high96 Ų9696.9 Ų96.945%0.44948%0.484SS..Hα-helixtrans-61.7-45.4179.3-176.155.735.400111.4K21 V22 T23 A27 K28 E29K21-Q25 PolarHBondContact O-N 3.27Å; K21-Q25 VanDerWaalsContact O-N 3.09Å; V22-Q25 PolarHBondContact O-N 3.5Å; T23-Q25 PolarHBondContact O-N 2.84Å; Q25-A27 VanDerWaalsContact C-N 3.31Å; Q25-A27 PolarHBondContact O-N 2.87Å; Q25-K28 PolarHBondContact O-N 3.41Å; Q25-E29 WeakPolarHBondContact CG-OE1 3.38Å; Q25-E29 PolarHBondContact NE2-OE1 3.13Å; Q25-E29 WeakPolarHBondContact O-CG 3.31Å; Q25-E29 PolarHBondContact O-N 3.26Å
26A94.2Very high89.6Confident53 Ų5392.5 Ų92.544%0.43847%0.469SS..Hα-helixtrans-61.4-38.4175.300000112.6V22 T23 K24 K30V22-A26 PolarHBondContact O-N 2.89Å; T23-A26 PolarHBondContact O-N 2.89Å; K24-A26 PolarHBondContact O-N 2.89Å; A26-K30 WeakPolarHBondContact O-CB 3.39Å; A26-K30 PolarHBondContact O-N 2.91Å
27A92.6Very high88.5Confident23 Ų2394.7 Ų94.719%0.1949%0.489CS..Hα-helixtrans-66.2-39.417600000112.1I13 M19 T23 K24 Q25 K30 A31I13-A27 HydrophobicContact CD1-CB 3.83Å; I13-A27 HydrophobicContact CG1-CB 4.39Å; I13-A27 HydrophobicContact CG2-CB 4.35Å; M19-A27 HydrophobicContact CE-CB 4.36Å; M19-A27 HydrophobicContact SD-CB 4.14Å; T23-A27 WeakPolarHBondContact O-CB 3.38Å; T23-A27 PolarHBondContact O-N 3.38Å; K24-A27 PolarHBondContact O-N 3.33Å; Q25-A27 VanDerWaalsContact C-N 3.31Å; Q25-A27 PolarHBondContact O-N 2.87Å; A27-K30 PolarHBondContact O-N 3.17Å; A27-A31 WeakPolarHBondContact O-CB 3.38Å; A27-A31 PolarHBondContact O-N 3.42Å
28K93.2Very high87.5Confident47 Ų4792.3 Ų92.320%0.20448%0.475CS..Hα-helixtrans-64.8-46.3175-70.9-177.5174.7-167.70112L10 I13 D14 K24 Q25 K30 A31 L32L10-K28 HydrophobicContact CD2-CB 3.79Å; L10-K28 HydrophobicContact CD2-CD 4.47Å; L10-K28 HydrophobicContact CD2-CG 3.69Å; I13-K28 HydrophobicContact CD1-CG 4.45Å; I13-K28 HydrophobicContact CG2-CG 4.04Å; D14-K28 WeakPolarHBondContact OD1-CE 3.35Å; D14-K28 IonicContact OD1-NZ 2.62Å; D14-K28 PolarHBondContact OD1-NZ 3.47Å; D14-K28 WeakPolarHBondContact OD2-CE 3.39Å; D14-K28 IonicContact OD2-NZ 2.81Å; D14-K28 PolarHBondContact OD2-NZ 3.25Å; K24-K28 WeakPolarHBondContact O-CG 3.43Å; K24-K28 PolarHBondContact O-N 2.89Å; Q25-K28 PolarHBondContact O-N 3.41Å; K28-K30 VanDerWaalsContact C-N 3.28Å; K28-K30 PolarHBondContact O-N 2.91Å; K28-A31 PolarHBondContact O-N 3.29Å; K28-A31 VanDerWaalsContact O-N 3.17Å; K28-L32 WeakPolarHBondContact O-CG 3.45Å; K28-L32 PolarHBondContact O-N 2.89Å
29E93.3Very high86.6Confident110 Ų11086.4 Ų86.451%0.51447%0.473SS..Hα-helixtrans-58.4-44.2175.2-74.8168.5-163.800110.8Q25 A31 L32 A33Q25-E29 WeakPolarHBondContact CG-OE1 3.38Å; Q25-E29 PolarHBondContact NE2-OE1 3.13Å; Q25-E29 WeakPolarHBondContact O-CG 3.31Å; Q25-E29 PolarHBondContact O-N 3.26Å; E29-A31 PolarHBondContact O-N 2.7Å; E29-L32 PolarHBondContact O-N 3.38Å; E29-A33 VanDerWaalsContact O-CB 3.28Å; E29-A33 WeakPolarHBondContact O-CB 3.28Å; E29-A33 PolarHBondContact O-N 3.49Å
30K90.2Very high86Confident161 Ų16194.3 Ų94.370%0.750%0.503SS*.Hα-helixtrans-61.4-43.6175.2-172.3174.2-176.8178.90112.2A26 A27 K28 A33 I34A26-K30 WeakPolarHBondContact O-CB 3.39Å; A26-K30 PolarHBondContact O-N 2.91Å; A27-K30 PolarHBondContact O-N 3.17Å; K28-K30 VanDerWaalsContact C-N 3.28Å; K28-K30 PolarHBondContact O-N 2.91Å; K30-A33 PolarHBondContact O-N 3.48Å; K30-I34 WeakPolarHBondContact O-CG1 3.42Å; K30-I34 PolarHBondContact O-N 2.93Å
31A88.5Confident85.4Confident2 Ų292.8 Ų92.82%0.01750%0.498CS..Hα-helixtrans-64.3-41.8178.800000112.2F9 L10 A27 K28 E29 A33 I34F9-A31 HydrophobicContact CD1-CB 3.77Å; F9-A31 HydrophobicContact CE1-CB 4.17Å; L10-A31 HydrophobicContact CD2-CB 4.05Å; A27-A31 WeakPolarHBondContact O-CB 3.38Å; A27-A31 PolarHBondContact O-N 3.42Å; K28-A31 PolarHBondContact O-N 3.29Å; K28-A31 VanDerWaalsContact O-N 3.17Å; E29-A31 PolarHBondContact O-N 2.7Å; A31-A33 VanDerWaalsContact C-N 3.29Å; A31-A33 PolarHBondContact O-N 2.96Å; A31-I34 WeakPolarHBondContact O-CB 3.4Å; A31-I34 PolarHBondContact O-N 3.48Å
32L87.1Confident84.8Confident120 Ų12092 Ų9263%0.62850%0.502SS*.Hα-helixtrans-69.1-27.9175.7-70.2171.8000112.7I6 L10 K28 E29 I34I6-L32 HydrophobicContact CG2-CD2 4.35Å; L10-L32 HydrophobicContact CD1-CD2 3.97Å; L10-L32 HydrophobicContact CD1-CG 4.43Å; K28-L32 WeakPolarHBondContact O-CG 3.45Å; K28-L32 PolarHBondContact O-N 2.89Å; E29-L32 PolarHBondContact O-N 3.38Å; L32-I34 VanDerWaalsContact C-N 3.27Å; L32-I34 PolarHBondContact O-N 3.25Å
33A87.1Confident84.5Confident76 Ų7688.7 Ų88.763%0.62848%0.479SS*.THydrogen-bonded Turntrans-79-5.417500000113.6E29 K30 A31 Y35E29-A33 VanDerWaalsContact O-CB 3.28Å; E29-A33 WeakPolarHBondContact O-CB 3.28Å; E29-A33 PolarHBondContact O-N 3.49Å; K30-A33 PolarHBondContact O-N 3.48Å; A31-A33 VanDerWaalsContact C-N 3.29Å; A31-A33 PolarHBondContact O-N 2.96Å; A33-Y35 PolarHBondContact O-N 3.32Å
34I82.2Confident84.2Confident95 Ų9588.8 Ų88.849%0.48748%0.476SS..  trans-67.4102175-63.5175.8000108.2K30 A31 L32 S36K30-I34 WeakPolarHBondContact O-CG1 3.42Å; K30-I34 PolarHBondContact O-N 2.93Å; A31-I34 WeakPolarHBondContact O-CB 3.4Å; A31-I34 PolarHBondContact O-N 3.48Å; L32-I34 VanDerWaalsContact C-N 3.27Å; L32-I34 PolarHBondContact O-N 3.25Å; I34-S36 PolarHBondContact O-N 3.38Å
35Y73.5Confident83.9Confident196 Ų19695.3 Ų95.377%0.76951%0.51SS*.  trans-73.4116.9168.2-173.8-97.8000109.4A33 S37A33-Y35 PolarHBondContact O-N 3.32Å; Y35-S37 WeakPolarHBondContact CD1-OG 3.35Å; Y35-S37 WeakPolarHBondContact CE1-OG 3.35Å; Y35-S37 PolarHBondContact O-N 3.07Å
36S68.5Low83.9Confident48 Ų4894 Ų9434%0.33651%0.505SS..  trans-85.893.1-177.363.20000111.6I34 I38I34-S36 PolarHBondContact O-N 3.38Å; S36-I38 PolarHBondContact O-N 3.23Å
37S68.7Low83.7Confident100 Ų10096.9 Ų96.970%0.69951%0.514SS*.  trans-82.957.7167.9-58.60000111Y35Y35-S37 WeakPolarHBondContact CD1-OG 3.35Å; Y35-S37 WeakPolarHBondContact CE1-OG 3.35Å; Y35-S37 PolarHBondContact O-N 3.07Å
38I70.4Confident83.7Confident111 Ų111103.5 Ų103.557%0.56954%0.541SS*.  trans-99.6120.6-178.9-59176.4000109.2I2 S36I2-I38 HydrophobicContact CB-CD1 4.38Å; I2-I38 HydrophobicContact CD1-CD1 3.61Å; I2-I38 HydrophobicContact CG1-CD1 4.05Å; S36-I38 PolarHBondContact O-N 3.23Å
39G75.9Confident83.5Confident66 Ų66105.6 Ų105.668%0.6855%0.554SS**SBendtrans75.5-157.2-177.700000112.4
40Y79.7Confident83.4Confident192 Ų192102.1 Ų102.175%0.75354%0.538SS*.SBendtrans-94.4147173.8-62.8-79.5000109.5I44Y40-I44 HydrophobicContact CD1-CG1 4.39Å; Y40-I44 HydrophobicContact CG-CG1 4.4Å
41P80.8Confident83.3Confident57 Ų5799 Ų9937%0.3753%0.529SS..  trans-56.7150.3173.1-21.932.8000111.7F43 I44P41-F43 HydrophobicContact CB-CD1 3.44Å; P41-F43 VanDerWaalsContact CB-CD1 3.44Å; P41-F43 HydrophobicContact CB-CD2 4.38Å; P41-F43 HydrophobicContact CB-CE1 3.15Å; P41-F43 HydrophobicContact CB-CE2 4.13Å; P41-F43 HydrophobicContact CB-CG 4.06Å; P41-F43 HydrophobicContact CB-CZ 3.53Å; P41-F43 HydrophobicContact CG-CD1 4.47Å; P41-F43 HydrophobicContact CG-CE1 3.76Å; P41-F43 HydrophobicContact CG-CE2 4.34Å; P41-F43 HydrophobicContact CG-CZ 3.67Å; P41-F43 PolarHBondContact O-N 3.5Å; P41-F43 VanDerWaalsContact O-N 3.07Å; P41-I44 VanDerWaalsContact O-CB 3.27Å; P41-I44 WeakPolarHBondContact O-CB 3.44Å; P41-I44 VanDerWaalsContact O-CG2 3.3Å; P41-I44 WeakPolarHBondContact O-CG2 3.39Å; P41-I44 PolarHBondContact O-N 2.97Å
42D80.4Confident83.3Confident170 Ų170102 Ų10291%0.90955%0.554SS**G310 helixtrans-58.7-27.3-178.7-65.4-29.9000112.8I44D42-I44 PolarHBondContact O-N 3.1Å
43F86.2Confident83.3Confident45 Ų4599.7 Ų99.720%0.19754%0.538CS..G310 helixtrans-75.30.2177.665.9-102.2000114.2P41 M45 D46 L49 L50 Y53P41-F43 HydrophobicContact CB-CD1 3.44Å; P41-F43 VanDerWaalsContact CB-CD1 3.44Å; P41-F43 HydrophobicContact CB-CD2 4.38Å; P41-F43 HydrophobicContact CB-CE1 3.15Å; P41-F43 HydrophobicContact CB-CE2 4.13Å; P41-F43 HydrophobicContact CB-CG 4.06Å; P41-F43 HydrophobicContact CB-CZ 3.53Å; P41-F43 HydrophobicContact CG-CD1 4.47Å; P41-F43 HydrophobicContact CG-CE1 3.76Å; P41-F43 HydrophobicContact CG-CE2 4.34Å; P41-F43 HydrophobicContact CG-CZ 3.67Å; P41-F43 PolarHBondContact O-N 3.5Å; P41-F43 VanDerWaalsContact O-N 3.07Å; F43-M45 PolarHBondContact O-N 3.36Å; F43-D46 PolarHBondContact O-N 3.36Å; F43-L49 HydrophobicContact CB-CB 3.7Å; F43-L49 HydrophobicContact CB-CD1 3.94Å; F43-L49 HydrophobicContact CB-CG 4.49Å; F43-L49 HydrophobicContact CG-CB 4.47Å; F43-L50 HydrophobicContact CD2-CD1 4.14Å; F43-L50 HydrophobicContact CE2-CD1 4.02Å; F43-Y53 HydrophobicContact CE1-CD2 4.01Å; F43-Y53 HydrophobicContact CE1-CE2 4.21Å; F43-Y53 HydrophobicContact CE1-CG 4.42Å; F43-Y53 AromaticContact CE2-CD1 3.92Å; F43-Y53 HydrophobicContact CE2-CD1 3.92Å; F43-Y53 HydrophobicContact CE2-CD2 4.11Å; F43-Y53 AromaticContact CE2-CG 3.68Å; F43-Y53 HydrophobicContact CE2-CG 3.68Å; F43-Y53 AromaticContact CZ-CD1 3.79Å; F43-Y53 HydrophobicContact CZ-CD1 3.79Å; F43-Y53 AromaticContact CZ-CD2 3.49Å; F43-Y53 HydrophobicContact CZ-CD2 3.49Å; F43-Y53 VanDerWaalsContact CZ-CD2 3.49Å; F43-Y53 HydrophobicContact CZ-CE1 4.04Å; F43-Y53 AromaticContact CZ-CE2 3.76Å; F43-Y53 HydrophobicContact CZ-CE2 3.76Å; F43-Y53 AromaticContact CZ-CG 3.51Å; F43-Y53 HydrophobicContact CZ-CG 3.51Å
44I87.4Confident83.3Confident61 Ų61100.4 Ų100.431%0.31353%0.525SS..G310 helixtrans-64-23.3-177.2-162.658.6000113.4Y40 P41 D42 L50Y40-I44 HydrophobicContact CD1-CG1 4.39Å; Y40-I44 HydrophobicContact CG-CG1 4.4Å; P41-I44 VanDerWaalsContact O-CB 3.27Å; P41-I44 WeakPolarHBondContact O-CB 3.44Å; P41-I44 VanDerWaalsContact O-CG2 3.3Å; P41-I44 WeakPolarHBondContact O-CG2 3.39Å; P41-I44 PolarHBondContact O-N 2.97Å; D42-I44 PolarHBondContact O-N 3.1Å; I44-L50 HydrophobicContact CD1-CD1 3.84Å
45M89.2Confident83.4Confident173 Ų17398.6 Ų98.685%0.85252%0.521SS*.G310 helixtrans-95.3-4178-62.8-64.8-176.400113F43F43-M45 PolarHBondContact O-N 3.36Å
46D93.2Very high83.8Confident67 Ų6792.8 Ų92.836%0.35850%0.503SS..  trans-107.3100.5178.1-174.7-31.2000108.7F43 Q48 L49 L50F43-D46 PolarHBondContact O-N 3.36Å; D46-Q48 PolarHBondContact O-N 3.26Å; D46-Q48 WeakPolarHBondContact OD1-CB 3.33Å; D46-Q48 PolarHBondContact OD1-N 2.9Å; D46-L49 HydrophobicContact CB-CB 4.1Å; D46-L49 HydrophobicContact CB-CD1 4.03Å; D46-L49 HydrophobicContact CB-CG 4.2Å; D46-L49 PolarHBondContact O-N 2.66Å; D46-L49 PolarHBondContact OD1-N 3.26Å; D46-L49 WeakPolarHBondContact OD2-CD1 3.27Å; D46-L50 WeakPolarHBondContact O-CB 3.35Å; D46-L50 PolarHBondContact O-N 3.32Å
47D90.7Very high84.6Confident115 Ų11591.1 Ų91.162%0.61549%0.49SS*.Hα-helixtrans-56-35.9-177.4-63.9-17000112.2L50 D51D47-L50 PolarHBondContact O-N 2.94Å; D47-D51 WeakPolarHBondContact O-CB 3.35Å; D47-D51 VanDerWaalsContact O-CG 3.3Å; D47-D51 PolarHBondContact O-N 3.07Å
48Q90.9Very high85.2Confident161 Ų16190 Ų9075%0.75248%0.475SS*.Hα-helixtrans-69.8-43.1-178.7-63.4-173.4-9.900111.5D46 L50 A52D46-Q48 PolarHBondContact O-N 3.26Å; D46-Q48 WeakPolarHBondContact OD1-CB 3.33Å; D46-Q48 PolarHBondContact OD1-N 2.9Å; Q48-L50 VanDerWaalsContact C-N 3.33Å; Q48-A52 VanDerWaalsContact O-CB 3.28Å; Q48-A52 WeakPolarHBondContact O-CB 3.46Å; Q48-A52 PolarHBondContact O-N 3.02Å
49L90.1Very high85.5Confident91 Ų9187.5 Ų87.548%0.47647%0.467SS..Hα-helixtrans-69.4-35175.7-67.9178.3000111.4F43 D46 Y53F43-L49 HydrophobicContact CB-CB 3.7Å; F43-L49 HydrophobicContact CB-CD1 3.94Å; F43-L49 HydrophobicContact CB-CG 4.49Å; F43-L49 HydrophobicContact CG-CB 4.47Å; D46-L49 HydrophobicContact CB-CB 4.1Å; D46-L49 HydrophobicContact CB-CD1 4.03Å; D46-L49 HydrophobicContact CB-CG 4.2Å; D46-L49 PolarHBondContact O-N 2.66Å; D46-L49 PolarHBondContact OD1-N 3.26Å; D46-L49 WeakPolarHBondContact OD2-CD1 3.27Å; L49-Y53 VanDerWaalsContact O-CB 3.23Å; L49-Y53 WeakPolarHBondContact O-CB 3.3Å; L49-Y53 PolarHBondContact O-N 3.19Å
50L90.2Very high85.4Confident37 Ų3785.9 Ų85.919%0.19444%0.444CS..Hα-helixtrans-63.7-49.1175.8-171.266.4000111.5F43 I44 D46 D47 Q48 Y53 Y54F43-L50 HydrophobicContact CD2-CD1 4.14Å; F43-L50 HydrophobicContact CE2-CD1 4.02Å; I44-L50 HydrophobicContact CD1-CD1 3.84Å; D46-L50 WeakPolarHBondContact O-CB 3.35Å; D46-L50 PolarHBondContact O-N 3.32Å; D47-L50 PolarHBondContact O-N 2.94Å; Q48-L50 VanDerWaalsContact C-N 3.33Å; L50-Y53 WeakPolarHBondContact O-CB 3.23Å; L50-Y53 PolarHBondContact O-N 3.17Å; L50-Y54 HydrophobicContact CD1-CD2 3.78Å; L50-Y54 HydrophobicContact CD1-CE2 3.5Å; L50-Y54 VanDerWaalsContact CD1-CE2 3.5Å; L50-Y54 HydrophobicContact CG-CD2 4.14Å; L50-Y54 HydrophobicContact CG-CE2 4.33Å; L50-Y54 WeakPolarHBondContact O-CD2 3.28Å; L50-Y54 PolarHBondContact O-N 3.06Å
51D88.3Confident85.1Confident95 Ų9585 Ų8551%0.50845%0.452SS..Hα-helixtrans-63-43.5177.4-76-17.1000111.2D47 Y53 Y54 S55D47-D51 WeakPolarHBondContact O-CB 3.35Å; D47-D51 VanDerWaalsContact O-CG 3.3Å; D47-D51 PolarHBondContact O-N 3.07Å; D51-Y53 VanDerWaalsContact C-N 3.29Å; D51-Y53 PolarHBondContact O-N 3.05Å; D51-Y54 CarbonylContact O-C 3.48Å; D51-Y54 PolarHBondContact O-N 3.38Å; D51-S55 WeakPolarHBondContact O-CA 3.32Å; D51-S55 PolarHBondContact O-N 2.88Å
52A88.3Confident84.6Confident66 Ų6687.6 Ų87.655%0.54546%0.463SS..Hα-helixtrans-63.4-35.3175.100000112.3Q48 S55Q48-A52 VanDerWaalsContact O-CB 3.28Å; Q48-A52 WeakPolarHBondContact O-CB 3.46Å; Q48-A52 PolarHBondContact O-N 3.02Å; A52-S55 PolarHBondContact O-OG 3.01Å
53Y87.9Confident83.7Confident71 Ų7185.8 Ų85.828%0.27845%0.454SS..Hα-helixtrans-69.4-33.8177.7-175.8-93000112.5F43 L49 L50 D51 W89 R93F43-Y53 HydrophobicContact CE1-CD2 4.01Å; F43-Y53 HydrophobicContact CE1-CE2 4.21Å; F43-Y53 HydrophobicContact CE1-CG 4.42Å; F43-Y53 AromaticContact CE2-CD1 3.92Å; F43-Y53 HydrophobicContact CE2-CD1 3.92Å; F43-Y53 HydrophobicContact CE2-CD2 4.11Å; F43-Y53 AromaticContact CE2-CG 3.68Å; F43-Y53 HydrophobicContact CE2-CG 3.68Å; F43-Y53 AromaticContact CZ-CD1 3.79Å; F43-Y53 HydrophobicContact CZ-CD1 3.79Å; F43-Y53 AromaticContact CZ-CD2 3.49Å; F43-Y53 HydrophobicContact CZ-CD2 3.49Å; F43-Y53 VanDerWaalsContact CZ-CD2 3.49Å; F43-Y53 HydrophobicContact CZ-CE1 4.04Å; F43-Y53 AromaticContact CZ-CE2 3.76Å; F43-Y53 HydrophobicContact CZ-CE2 3.76Å; F43-Y53 AromaticContact CZ-CG 3.51Å; F43-Y53 HydrophobicContact CZ-CG 3.51Å; L49-Y53 VanDerWaalsContact O-CB 3.23Å; L49-Y53 WeakPolarHBondContact O-CB 3.3Å; L49-Y53 PolarHBondContact O-N 3.19Å; L50-Y53 WeakPolarHBondContact O-CB 3.23Å; L50-Y53 PolarHBondContact O-N 3.17Å; D51-Y53 VanDerWaalsContact C-N 3.29Å; D51-Y53 PolarHBondContact O-N 3.05Å; Y53-W89 HydrophobicContact CD1-CH2 4.14Å; Y53-W89 AromaticContact CE1-CH2 3.67Å; Y53-W89 HydrophobicContact CE1-CH2 3.67Å; Y53-W89 HydrophobicContact CE1-CZ3 4.39Å; Y53-W89 WeakPolarHBondContact O-CZ2 3.49Å; Y53-R93 VanDerWaalsContact CE2-NH2 3.32Å
54Y86.6Confident82.7Confident91 Ų9187.8 Ų87.836%0.35747%0.466SS..Hα-helixtrans-104.411.7-178.2-69.5-64.4000114.3L50 D51 D56 L57 I58 W89L50-Y54 HydrophobicContact CD1-CD2 3.78Å; L50-Y54 HydrophobicContact CD1-CE2 3.5Å; L50-Y54 VanDerWaalsContact CD1-CE2 3.5Å; L50-Y54 HydrophobicContact CG-CD2 4.14Å; L50-Y54 HydrophobicContact CG-CE2 4.33Å; L50-Y54 WeakPolarHBondContact O-CD2 3.28Å; L50-Y54 PolarHBondContact O-N 3.06Å; D51-Y54 CarbonylContact O-C 3.48Å; D51-Y54 PolarHBondContact O-N 3.38Å; Y54-D56 PolarHBondContact O-N 3.3Å; Y54-D56 VanDerWaalsContact O-N 3.08Å; Y54-L57 HydrophobicContact CD1-CD1 3.85Å; Y54-L57 HydrophobicContact CE1-CD1 4.49Å; Y54-L57 WeakPolarHBondContact O-CB 3.39Å; Y54-L57 PolarHBondContact O-N 2.89Å; Y54-I58 PolarHBondContact O-N 3.03Å; Y54-W89 AromaticContact CD1-CH2 3.83Å; Y54-W89 HydrophobicContact CD1-CH2 3.83Å; Y54-W89 HydrophobicContact CD1-CZ3 4.15Å; Y54-W89 AromaticContact CE1-CH2 3.94Å; Y54-W89 HydrophobicContact CE1-CH2 3.94Å; Y54-W89 AromaticContact CE1-CZ3 3.97Å; Y54-W89 HydrophobicContact CE1-CZ3 3.97Å
55S84.7Confident81.4Confident57 Ų5789 Ų8940%0.39948%0.477SS..G310 helixtrans-54.5-34.9-173.959.90000113.7D51 A52 L57 I58D51-S55 WeakPolarHBondContact O-CA 3.32Å; D51-S55 PolarHBondContact O-N 2.88Å; A52-S55 PolarHBondContact O-OG 3.01Å; S55-L57 PolarHBondContact O-N 3.19Å; S55-I58 PolarHBondContact O-N 3.41Å
56D82.1Confident80.2Confident75 Ų7589.7 Ų89.740%0.40148%0.475SS..G310 helixtrans-68.9-18.2179.6-57-24.1000113.5Y54 P69 W89Y54-D56 PolarHBondContact O-N 3.3Å; Y54-D56 VanDerWaalsContact O-N 3.08Å; D56-P69 VanDerWaalsContact O-CG 3.29Å; D56-P69 WeakPolarHBondContact O-CG 3.34Å; D56-W89 PolarHBondContact OD2-NE1 3.23Å
57L85.6Confident78.7Confident12 Ų1295 Ų956%0.06350%0.498CS..G310 helixtrans-94.9-18.4177.7-59-177.6000112.1Y54 S55 T71 I73 V86 W89Y54-L57 HydrophobicContact CD1-CD1 3.85Å; Y54-L57 HydrophobicContact CE1-CD1 4.49Å; Y54-L57 WeakPolarHBondContact O-CB 3.39Å; Y54-L57 PolarHBondContact O-N 2.89Å; S55-L57 PolarHBondContact O-N 3.19Å; L57-T71 VanDerWaalsContact CD2-O 3.27Å; L57-T71 WeakPolarHBondContact CD2-O 3.39Å; L57-I73 HydrophobicContact CB-CD1 4.17Å; L57-I73 HydrophobicContact CD1-CD1 3.99Å; L57-I73 HydrophobicContact CD2-CD1 4.47Å; L57-I73 HydrophobicContact CG-CD1 4.46Å; L57-I73 PolarHBondContact O-N 3.28Å; L57-V86 HydrophobicContact CD1-CG2 4.27Å; L57-W89 HydrophobicContact CD1-CD2 4.24Å; L57-W89 HydrophobicContact CD1-CE3 4.09Å; L57-W89 HydrophobicContact CD1-CZ3 4.39Å; L57-W89 HydrophobicContact CD2-CB 3.88Å; L57-W89 HydrophobicContact CD2-CD2 4.12Å; L57-W89 HydrophobicContact CD2-CG 3.76Å; L57-W89 HydrophobicContact CG-CD2 4.2Å; L57-W89 HydrophobicContact CG-CG 4.32Å
58I79.7Confident77.4Confident76 Ų7693.8 Ų93.839%0.3948%0.484SS..SBendtrans-89.4121.9-176.2-59.6170.3000108.7Y54 S55 W68Y54-I58 PolarHBondContact O-N 3.03Å; S55-I58 PolarHBondContact O-N 3.41Å; I58-W68 WeakPolarHBondContact O-CZ3 3.35Å
59P76.7Confident76.5Confident60 Ų6088.8 Ų88.839%0.3947%0.466SS..PPolyproline II helixtrans-66.6153.517227.4-31000110.6V72P59-V72 HydrophobicContact CB-CG1 3.74Å; P59-V72 HydrophobicContact CG-CG1 4.18Å
60P73.9Confident75.6Confident32 Ų3293.3 Ų93.321%0.20848%0.482CS..PPolyproline II helixtrans-73.8158.6175.535.6-34.7000110.1N62 W68P60-N62 WeakPolarHBondContact CB-OD1 3.29Å; P60-N62 WeakPolarHBondContact CG-OD1 3.49Å; P60-N62 PolarHBondContact O-N 3.08Å; P60-W68 HydrophobicContact CB-CH2 3.38Å; P60-W68 HydrophobicContact CB-CZ2 3.14Å; P60-W68 HydrophobicContact CB-CZ3 4.3Å; P60-W68 VanDerWaalsContact CD-CH2 3.47Å; P60-W68 HydrophobicContact CG-CD2 3.95Å; P60-W68 HydrophobicContact CG-CE3 4.46Å; P60-W68 HydrophobicContact CG-CH2 3.63Å; P60-W68 HydrophobicContact CG-CZ2 3.02Å; P60-W68 HydrophobicContact CG-CZ3 4.29Å
61D73.7Confident75.2Confident173 Ų17392 Ų9293%0.92548%0.475SS*.THydrogen-bonded Turntrans-65.4-25.6170.1-61.2-31.1000112.5N63D61-N63 PolarHBondContact O-N 2.86Å; D61-N63 VanDerWaalsContact O-N 3.16Å
62N69.9Low75Confident111 Ų11187.5 Ų87.559%0.59445%0.451SS*.THydrogen-bonded Turntrans-77.53-171.775.2-2.2000114.9P60 D64P60-N62 WeakPolarHBondContact CB-OD1 3.29Å; P60-N62 WeakPolarHBondContact CG-OD1 3.49Å; P60-N62 PolarHBondContact O-N 3.08Å; N62-D64 PolarHBondContact O-N 2.92Å; N62-D64 PolarHBondContact OD1-N 3.2Å
63N63.2Low74.9Confident133 Ų13386.5 Ų86.571%0.71144%0.436SS*.  trans55.110.4178.7-167.339.2000114.9D61 T65D61-N63 PolarHBondContact O-N 2.86Å; D61-N63 VanDerWaalsContact O-N 3.16Å; N63-T65 VanDerWaalsContact C-N 3.33Å; N63-T65 PolarHBondContact O-N 3.42Å
64D65.5Low74.7Confident87 Ų8787.8 Ų87.847%0.46544%0.441SS..  trans-83.479.2-178.3-170.61.4000110.2N62 K66 W68N62-D64 PolarHBondContact O-N 2.92Å; N62-D64 PolarHBondContact OD1-N 3.2Å; D64-K66 PolarHBondContact O-N 3.33Å; D64-K66 VanDerWaalsContact O-N 3.09Å; D64-W68 PolarHBondContact O-NE1 3.49Å
65T60Low74.5Confident86 Ų8689.6 Ų89.653%0.52847%0.467SS..G310 helixtrans-69-3.8-172.459.80000115.6N63 E67N63-T65 VanDerWaalsContact C-N 3.33Å; N63-T65 PolarHBondContact O-N 3.42Å; T65-E67 PolarHBondContact O-N 2.89Å
66K62.8Low74.6Confident188 Ų18892.9 Ų92.982%0.81748%0.484SS*.G310 helixtrans-72.4-30.5-167.6-162.8176.4-180-174.90113.7D64D64-K66 PolarHBondContact O-N 3.33Å; D64-K66 VanDerWaalsContact O-N 3.09Å
67E61.7Low74.8Confident178 Ų17890.8 Ų90.883%0.83247%0.473SS*.G310 helixtrans-104.65.7-174.6-60.2-167.8172.100113.8T65T65-E67 PolarHBondContact O-N 2.89Å
68W64.2Low75.2Confident89 Ų8993.3 Ų93.334%0.33749%0.492SS..  trans-80.9147.2-171-70.878.8000113.7I58 P60 D64 V72I58-W68 WeakPolarHBondContact O-CZ3 3.35Å; P60-W68 HydrophobicContact CB-CH2 3.38Å; P60-W68 HydrophobicContact CB-CZ2 3.14Å; P60-W68 HydrophobicContact CB-CZ3 4.3Å; P60-W68 VanDerWaalsContact CD-CH2 3.47Å; P60-W68 HydrophobicContact CG-CD2 3.95Å; P60-W68 HydrophobicContact CG-CE3 4.46Å; P60-W68 HydrophobicContact CG-CH2 3.63Å; P60-W68 HydrophobicContact CG-CZ2 3.02Å; P60-W68 HydrophobicContact CG-CZ3 4.29Å; D64-W68 PolarHBondContact O-NE1 3.49Å; W68-V72 HydrophobicContact CB-CG2 3.94Å; W68-V72 HydrophobicContact CE3-CG2 4.03Å
69P70.5Confident75.8Confident57 Ų5796.7 Ų96.737%0.3751%0.51SS..  trans-59.614917623.5-31.7000111.2D56 T71 V72D56-P69 VanDerWaalsContact O-CG 3.29Å; D56-P69 WeakPolarHBondContact O-CG 3.34Å; P69-T71 PolarHBondContact O-N 3.37Å; P69-V72 HydrophobicContact CG-CG2 3.97Å; P69-V72 WeakPolarHBondContact O-CG2 3.17Å; P69-V72 PolarHBondContact O-N 3.21Å
70K73.2Confident76.5Confident186 Ų186100.5 Ų100.581%0.80952%0.521SS*.THydrogen-bonded Turntrans-65.2-3.4-178.8-66.3179.4-179.5174.80113.7
71T80.8Confident77.3Confident8 Ų8102 Ų1025%0.04953%0.526CS..THydrogen-bonded Turntrans-101.8-6.7-174.450.40000113.8L57 P69 I73 K88 W89L57-T71 VanDerWaalsContact CD2-O 3.27Å; L57-T71 WeakPolarHBondContact CD2-O 3.39Å; P69-T71 PolarHBondContact O-N 3.37Å; T71-I73 PolarHBondContact O-N 2.92Å; T71-K88 HydrophobicContact CG2-CB 4.38Å; T71-K88 HydrophobicContact CG2-CG 4.17Å; T71-W89 HydrophobicContact CG2-CB 3.72Å
72V84.5Confident78Confident2 Ų296 Ų961%0.01249%0.494CS..  trans-51.8132.2179.8170.30000111.8P59 W68 P69 R85P59-V72 HydrophobicContact CB-CG1 3.74Å; P59-V72 HydrophobicContact CG-CG1 4.18Å; W68-V72 HydrophobicContact CB-CG2 3.94Å; W68-V72 HydrophobicContact CE3-CG2 4.03Å; P69-V72 HydrophobicContact CG-CG2 3.97Å; P69-V72 WeakPolarHBondContact O-CG2 3.17Å; P69-V72 PolarHBondContact O-N 3.21Å; V72-R85 VanDerWaalsContact O-CD 3.27Å; V72-R85 WeakPolarHBondContact O-CD 3.46Å; V72-R85 PolarHBondContact O-NH1 3.38Å
73I85.3Confident79Confident45 Ų4595.7 Ų95.723%0.23149%0.488CS..  trans-93.9132.4175.6-65.4162.9000109.2L57 T71 I82 V86L57-I73 HydrophobicContact CB-CD1 4.17Å; L57-I73 HydrophobicContact CD1-CD1 3.99Å; L57-I73 HydrophobicContact CD2-CD1 4.47Å; L57-I73 HydrophobicContact CG-CD1 4.46Å; L57-I73 PolarHBondContact O-N 3.28Å; T71-I73 PolarHBondContact O-N 2.92Å; I73-I82 HydrophobicContact CD1-CG2 3.91Å; I73-I82 HydrophobicContact CG1-CG2 4.23Å; I73-I82 HydrophobicContact CG2-CD1 4.05Å; I73-I82 HydrophobicContact CG2-CG1 3.91Å; I73-I82 HydrophobicContact CG2-CG2 4.36Å; I73-V86 HydrophobicContact CD1-CG2 3.75Å
74R84Confident80.3Confident98 Ų9892.5 Ų92.537%0.3747%0.471SS..  trans-112.8151177.4-59.8176.9178.177.51.9109.3T76 D77R74-T76 PolarHBondContact O-N 2.87Å; R74-T76 VanDerWaalsContact O-N 3.1Å; R74-D77 WeakPolarHBondContact CA-OD2 3.44Å; R74-D77 WeakPolarHBondContact CB-OD2 3.29Å; R74-D77 PolarHBondContact N-OD2 3.21Å; R74-D77 WeakPolarHBondContact O-CB 3.41Å; R74-D77 PolarHBondContact O-N 3.19Å
75S83Confident81.4Confident129 Ų12990.7 Ų90.790%0.90246%0.458SS*.THydrogen-bonded Turntrans-60.7-20.2176.456.40000113.9
76T86.9Confident82.8Confident125 Ų12588.4 Ų88.477%0.76744%0.444SS*.THydrogen-bonded Turntrans-88.6-6.3177.654.40000114.1R74R74-T76 PolarHBondContact O-N 2.87Å; R74-T76 VanDerWaalsContact O-N 3.1Å
77D86.1Confident84Confident31 Ų3182.2 Ų82.217%0.16642%0.419CS..  trans-75.2143.4-178.1-67-47.8000112.1R74 I81 I82 R85R74-D77 WeakPolarHBondContact CA-OD2 3.44Å; R74-D77 WeakPolarHBondContact CB-OD2 3.29Å; R74-D77 PolarHBondContact N-OD2 3.21Å; R74-D77 WeakPolarHBondContact O-CB 3.41Å; R74-D77 PolarHBondContact O-N 3.19Å; D77-I81 HydrophobicContact CB-CB 4.32Å; D77-I81 HydrophobicContact CB-CG2 4.07Å; D77-I82 HydrophobicContact CB-CD1 4.22Å; D77-I82 HydrophobicContact CB-CG1 3.69Å; D77-R85 VanDerWaalsContact CG-NH1 3.26Å; D77-R85 IonicContact OD1-CZ 3.32Å; D77-R85 VanDerWaalsContact OD1-CZ 3.31Å; D77-R85 IonicContact OD1-NH1 3.31Å; D77-R85 PolarHBondContact OD1-NH1 3.06Å; D77-R85 IonicContact OD1-NH2 2.76Å; D77-R85 PolarHBondContact OD1-NH2 2.86Å; D77-R85 IonicContact OD2-CZ 2.66Å; D77-R85 VanDerWaalsContact OD2-CZ 3.3Å; D77-R85 IonicContact OD2-NH1 3.3Å; D77-R85 PolarHBondContact OD2-NH1 3.34Å; D77-R85 IonicContact OD2-NH2 3.6Å
78S93Very high85.2Confident66 Ų6678 Ų7846%0.46240%0.398SS..  trans-75.5156.3170.872.20000111.4F80 I81 I82S78-F80 PolarHBondContact O-N 3.4Å; S78-F80 VanDerWaalsContact O-N 3.12Å; S78-I81 WeakPolarHBondContact O-CB 3.33Å; S78-I81 PolarHBondContact O-N 2.9Å; S78-I81 WeakPolarHBondContact OG-CG1 3.37Å; S78-I82 WeakPolarHBondContact O-CG1 3.35Å; S78-I82 PolarHBondContact O-N 2.88Å
79L92.8Very high86.4Confident146 Ų14674.5 Ų74.576%0.76439%0.385SS*.Hα-helixtrans-51.5-38.8178.7-176.168.6000113.1I82 H83L79-I82 PolarHBondContact O-N 3.26Å; L79-H83 VanDerWaalsContact O-CB 3.23Å; L79-H83 WeakPolarHBondContact O-CB 3.29Å; L79-H83 PolarHBondContact O-N 3.43Å
80F92.1Very high87.1Confident140 Ų14076.9 Ų76.961%0.61439%0.392SS*.Hα-helixtrans-64.3-41.1177.4-179.4-100.3000112.3S78 N84S78-F80 PolarHBondContact O-N 3.4Å; S78-F80 VanDerWaalsContact O-N 3.12Å; F80-N84 WeakPolarHBondContact CE1-ND2 3.43Å; F80-N84 VanDerWaalsContact CZ-ND2 3.25Å; F80-N84 WeakPolarHBondContact CZ-ND2 3.27Å; F80-N84 PolarHBondContact O-N 3.33Å; F80-N84 PolarHBondContact O-ND2 2.94Å
81I89.9Confident87.7Confident63 Ų6374 Ų7432%0.32338%0.384SS..Hα-helixtrans-68.3-44.4177.2-64.3-63.3000110.3D77 S78 H83 N84 R85D77-I81 HydrophobicContact CB-CB 4.32Å; D77-I81 HydrophobicContact CB-CG2 4.07Å; S78-I81 WeakPolarHBondContact O-CB 3.33Å; S78-I81 PolarHBondContact O-N 2.9Å; S78-I81 WeakPolarHBondContact OG-CG1 3.37Å; I81-H83 PolarHBondContact O-N 3.14Å; I81-N84 PolarHBondContact O-N 3.37Å; I81-R85 VanDerWaalsContact CG2-CZ 3.5Å; I81-R85 WeakPolarHBondContact O-CG 3.36Å; I81-R85 PolarHBondContact O-N 2.98Å
82I89.1Confident87.7Confident49 Ų4978.4 Ų78.425%0.25141%0.408SS..Hα-helixtrans-57.5-51175.3-64.8176.6000110I73 D77 S78 L79 N84 R85 V86I73-I82 HydrophobicContact CD1-CG2 3.91Å; I73-I82 HydrophobicContact CG1-CG2 4.23Å; I73-I82 HydrophobicContact CG2-CD1 4.05Å; I73-I82 HydrophobicContact CG2-CG1 3.91Å; I73-I82 HydrophobicContact CG2-CG2 4.36Å; D77-I82 HydrophobicContact CB-CD1 4.22Å; D77-I82 HydrophobicContact CB-CG1 3.69Å; S78-I82 WeakPolarHBondContact O-CG1 3.35Å; S78-I82 PolarHBondContact O-N 2.88Å; L79-I82 PolarHBondContact O-N 3.26Å; I82-N84 PolarHBondContact O-N 3.36Å; I82-R85 PolarHBondContact O-N 2.89Å; I82-R85 VanDerWaalsContact O-N 3.14Å; I82-V86 HydrophobicContact CG2-CG2 4.3Å; I82-V86 WeakPolarHBondContact O-CG2 3.27Å; I82-V86 PolarHBondContact O-N 3.09Å
83H90.3Very high87.3Confident103 Ų10387.1 Ų87.148%0.47744%0.441SS..Hα-helixtrans-55.4-48.5179.2177.275.4000112.4L79 I81 R85 V86 I87L79-H83 VanDerWaalsContact O-CB 3.23Å; L79-H83 WeakPolarHBondContact O-CB 3.29Å; L79-H83 PolarHBondContact O-N 3.43Å; I81-H83 PolarHBondContact O-N 3.14Å; H83-R85 VanDerWaalsContact C-N 3.34Å; H83-R85 PolarHBondContact O-N 3.38Å; H83-V86 PolarHBondContact O-N 2.71Å; H83-I87 VanDerWaalsContact CE1-CD1 3.41Å; H83-I87 WeakPolarHBondContact CE1-CD1 3.09Å; H83-I87 WeakPolarHBondContact NE2-CD1 3.44Å; H83-I87 WeakPolarHBondContact O-CG1 3.25Å; H83-I87 PolarHBondContact O-N 3.5Å
84N91Very high87.4Confident66 Ų6689.3 Ų89.335%0.35345%0.451SS..Hα-helixtrans-65.5-35.9178.7-70.6-21.4000112.6F80 I81 I82 K88F80-N84 WeakPolarHBondContact CE1-ND2 3.43Å; F80-N84 VanDerWaalsContact CZ-ND2 3.25Å; F80-N84 WeakPolarHBondContact CZ-ND2 3.27Å; F80-N84 PolarHBondContact O-N 3.33Å; F80-N84 PolarHBondContact O-ND2 2.94Å; I81-N84 PolarHBondContact O-N 3.37Å; I82-N84 PolarHBondContact O-N 3.36Å; N84-K88 VanDerWaalsContact O-CB 3.29Å; N84-K88 WeakPolarHBondContact O-CB 3.23Å; N84-K88 PolarHBondContact O-N 3.12Å
85R89.1Confident87.5Confident49 Ų4988.8 Ų88.819%0.18546%0.455CS..Hα-helixtrans-67.5-43.4176-74-176.8-166.6167.519.4111.7V72 D77 I81 I82 H83 K88 W89V72-R85 VanDerWaalsContact O-CD 3.27Å; V72-R85 WeakPolarHBondContact O-CD 3.46Å; V72-R85 PolarHBondContact O-NH1 3.38Å; D77-R85 VanDerWaalsContact CG-NH1 3.26Å; D77-R85 IonicContact OD1-CZ 3.32Å; D77-R85 VanDerWaalsContact OD1-CZ 3.31Å; D77-R85 IonicContact OD1-NH1 3.31Å; D77-R85 PolarHBondContact OD1-NH1 3.06Å; D77-R85 IonicContact OD1-NH2 2.76Å; D77-R85 PolarHBondContact OD1-NH2 2.86Å; D77-R85 IonicContact OD2-CZ 2.66Å; D77-R85 VanDerWaalsContact OD2-CZ 3.3Å; D77-R85 IonicContact OD2-NH1 3.3Å; D77-R85 PolarHBondContact OD2-NH1 3.34Å; D77-R85 IonicContact OD2-NH2 3.6Å; I81-R85 VanDerWaalsContact CG2-CZ 3.5Å; I81-R85 WeakPolarHBondContact O-CG 3.36Å; I81-R85 PolarHBondContact O-N 2.98Å; I82-R85 PolarHBondContact O-N 2.89Å; I82-R85 VanDerWaalsContact O-N 3.14Å; H83-R85 VanDerWaalsContact C-N 3.34Å; H83-R85 PolarHBondContact O-N 3.38Å; R85-K88 PolarHBondContact O-N 3.16Å; R85-W89 WeakPolarHBondContact O-CB 3.03Å; R85-W89 PolarHBondContact O-N 3.19Å
86V88.5Confident87.8Confident38 Ų3886.6 Ų86.623%0.2343%0.43CS..Hα-helixtrans-63.1-45.1175.4176.80000110.7L57 I73 I82 H83 K88 W89 M90L57-V86 HydrophobicContact CD1-CG2 4.27Å; I73-V86 HydrophobicContact CD1-CG2 3.75Å; I82-V86 HydrophobicContact CG2-CG2 4.3Å; I82-V86 WeakPolarHBondContact O-CG2 3.27Å; I82-V86 PolarHBondContact O-N 3.09Å; H83-V86 PolarHBondContact O-N 2.71Å; V86-K88 PolarHBondContact O-N 3.44Å; V86-W89 PolarHBondContact O-N 2.85Å; V86-M90 HydrophobicContact CG1-CE 4.05Å; V86-M90 HydrophobicContact CG1-CG 4.36Å; V86-M90 HydrophobicContact CG1-SD 4.23Å; V86-M90 WeakPolarHBondContact O-CB 3.22Å; V86-M90 VanDerWaalsContact O-CG 3.29Å; V86-M90 WeakPolarHBondContact O-CG 3.4Å; V86-M90 PolarHBondContact O-N 2.65Å
87I87.5Confident87.8Confident58 Ų5884.3 Ų84.330%0.29741%0.411SS..Hα-helixtrans-60.8-46.8175.7-73.2179.8000111.4H83 W89 M90 I91H83-I87 VanDerWaalsContact CE1-CD1 3.41Å; H83-I87 WeakPolarHBondContact CE1-CD1 3.09Å; H83-I87 WeakPolarHBondContact NE2-CD1 3.44Å; H83-I87 WeakPolarHBondContact O-CG1 3.25Å; H83-I87 PolarHBondContact O-N 3.5Å; I87-W89 VanDerWaalsContact C-N 3.31Å; I87-W89 PolarHBondContact O-N 3.43Å; I87-M90 HydrophobicContact CB-CE 4.43Å; I87-M90 HydrophobicContact CG1-CE 3.9Å; I87-M90 PolarHBondContact O-N 2.73Å; I87-I91 HydrophobicContact CG2-CD1 3.66Å; I87-I91 HydrophobicContact CG2-CG1 4.39Å; I87-I91 WeakPolarHBondContact O-CG1 3.35Å; I87-I91 PolarHBondContact O-N 2.76Å
88K87.9Confident88Confident91 Ų9187.6 Ų87.640%0.39643%0.426SS..Hα-helixtrans-59.6-44.9178.5178.6163.6177480111.2T71 N84 R85 V86 I91 D92T71-K88 HydrophobicContact CG2-CB 4.38Å; T71-K88 HydrophobicContact CG2-CG 4.17Å; N84-K88 VanDerWaalsContact O-CB 3.29Å; N84-K88 WeakPolarHBondContact O-CB 3.23Å; N84-K88 PolarHBondContact O-N 3.12Å; R85-K88 PolarHBondContact O-N 3.16Å; V86-K88 PolarHBondContact O-N 3.44Å; K88-I91 PolarHBondContact O-N 2.94Å; K88-D92 WeakPolarHBondContact CE-OD2 3.47Å; K88-D92 WeakPolarHBondContact CG-OD2 3.42Å; K88-D92 IonicContact NZ-OD1 3.23Å; K88-D92 PolarHBondContact NZ-OD1 2.9Å; K88-D92 IonicContact NZ-OD2 2.6Å; K88-D92 PolarHBondContact NZ-OD2 2.96Å; K88-D92 WeakPolarHBondContact O-CB 3.46Å; K88-D92 PolarHBondContact O-N 2.94Å
89W88.3Confident87.6Confident14 Ų1489.1 Ų89.15%0.05342%0.424CS..Hα-helixtrans-60.8-43.4175.1174.973.4000112.5Y53 Y54 D56 L57 T71 R85 V86 I87 I91 D92 R93Y53-W89 HydrophobicContact CD1-CH2 4.14Å; Y53-W89 AromaticContact CE1-CH2 3.67Å; Y53-W89 HydrophobicContact CE1-CH2 3.67Å; Y53-W89 HydrophobicContact CE1-CZ3 4.39Å; Y53-W89 WeakPolarHBondContact O-CZ2 3.49Å; Y54-W89 AromaticContact CD1-CH2 3.83Å; Y54-W89 HydrophobicContact CD1-CH2 3.83Å; Y54-W89 HydrophobicContact CD1-CZ3 4.15Å; Y54-W89 AromaticContact CE1-CH2 3.94Å; Y54-W89 HydrophobicContact CE1-CH2 3.94Å; Y54-W89 AromaticContact CE1-CZ3 3.97Å; Y54-W89 HydrophobicContact CE1-CZ3 3.97Å; D56-W89 PolarHBondContact OD2-NE1 3.23Å; L57-W89 HydrophobicContact CD1-CD2 4.24Å; L57-W89 HydrophobicContact CD1-CE3 4.09Å; L57-W89 HydrophobicContact CD1-CZ3 4.39Å; L57-W89 HydrophobicContact CD2-CB 3.88Å; L57-W89 HydrophobicContact CD2-CD2 4.12Å; L57-W89 HydrophobicContact CD2-CG 3.76Å; L57-W89 HydrophobicContact CG-CD2 4.2Å; L57-W89 HydrophobicContact CG-CG 4.32Å; T71-W89 HydrophobicContact CG2-CB 3.72Å; R85-W89 WeakPolarHBondContact O-CB 3.03Å; R85-W89 PolarHBondContact O-N 3.19Å; V86-W89 PolarHBondContact O-N 2.85Å; I87-W89 VanDerWaalsContact C-N 3.31Å; I87-W89 PolarHBondContact O-N 3.43Å; W89-I91 VanDerWaalsContact C-N 3.28Å; W89-I91 PolarHBondContact O-N 3.28Å; W89-D92 PolarHBondContact O-N 2.6Å; W89-R93 VanDerWaalsContact CZ2-NH1 3.33Å; W89-R93 WeakPolarHBondContact O-CB 3.44Å; W89-R93 PolarHBondContact O-N 3.03Å; W89-R93 VanDerWaalsContact O-N 3.1Å
90M86.1Confident87.3Confident107 Ų10785 Ų8553%0.52740%0.399SS..Hα-helixtrans-64.9-29.7177.1-72.1-173.6-56.500113.3V86 I87V86-M90 HydrophobicContact CG1-CE 4.05Å; V86-M90 HydrophobicContact CG1-CG 4.36Å; V86-M90 HydrophobicContact CG1-SD 4.23Å; V86-M90 WeakPolarHBondContact O-CB 3.22Å; V86-M90 VanDerWaalsContact O-CG 3.29Å; V86-M90 WeakPolarHBondContact O-CG 3.4Å; V86-M90 PolarHBondContact O-N 2.65Å; I87-M90 HydrophobicContact CB-CE 4.43Å; I87-M90 HydrophobicContact CG1-CE 3.9Å; I87-M90 PolarHBondContact O-N 2.73Å
91I85.1Confident86.9Confident125 Ų12580.8 Ų80.864%0.64138%0.383SS*.Hα-helixtrans-81.2-37.2177.1-68.2168.8000111.5I87 K88 W89 R93I87-I91 HydrophobicContact CG2-CD1 3.66Å; I87-I91 HydrophobicContact CG2-CG1 4.39Å; I87-I91 WeakPolarHBondContact O-CG1 3.35Å; I87-I91 PolarHBondContact O-N 2.76Å; K88-I91 PolarHBondContact O-N 2.94Å; W89-I91 VanDerWaalsContact C-N 3.28Å; W89-I91 PolarHBondContact O-N 3.28Å; I91-R93 VanDerWaalsContact C-N 3.26Å; I91-R93 PolarHBondContact O-N 3.1Å
92D82.1Confident86.6Confident101 Ų10182.3 Ų82.354%0.5439%0.388SS..Hα-helixtrans-79.8-8.6-178.3-67.3-14.6000112.5K88 W89K88-D92 WeakPolarHBondContact CE-OD2 3.47Å; K88-D92 WeakPolarHBondContact CG-OD2 3.42Å; K88-D92 IonicContact NZ-OD1 3.23Å; K88-D92 PolarHBondContact NZ-OD1 2.9Å; K88-D92 IonicContact NZ-OD2 2.6Å; K88-D92 PolarHBondContact NZ-OD2 2.96Å; K88-D92 WeakPolarHBondContact O-CB 3.46Å; K88-D92 PolarHBondContact O-N 2.94Å; W89-D92 PolarHBondContact O-N 2.6Å
93R74.7Confident86.4Confident186 Ų18685.3 Ų85.370%0.70240%0.4SS*.  trans-790176.7-178.7175.1-176.9130.71.6112.3Y53 W89 I91Y53-R93 VanDerWaalsContact CE2-NH2 3.32Å; W89-R93 VanDerWaalsContact CZ2-NH1 3.33Å; W89-R93 WeakPolarHBondContact O-CB 3.44Å; W89-R93 PolarHBondContact O-N 3.03Å; W89-R93 VanDerWaalsContact O-N 3.1Å; I91-R93 VanDerWaalsContact C-N 3.26Å; I91-R93 PolarHBondContact O-N 3.1Å

Retrieved 93 of 93 residues in 27.8 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).