G4VM61_SCHMA Loading...

Smp_203010

AlphaFold DB , UniProt , Accession G4VM61, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 72 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
1M40Very low51.6Low234 Ų234113.4 Ų113.4100%1.15360%0.599SS**  025.30-84-178.717000112.4
2E48Very low51.8Low179 Ų179115 Ų11584%0.83660%0.598SS**  trans-87-13.2-176.3-69.2174.1113.900114.6D4E2-D4 VanDerWaalsContact C-N 3.31Å; E2-D4 PolarHBondContact O-N 3.28Å
3L50.8Low52Low149 Ų149114.5 Ų114.578%0.7859%0.593SS**Hα-helixtrans-68.2-30-175.5-149.490.6000112.9L7L3-L7 PolarHBondContact O-N 3.1Å
4D52.4Low52.1Low121 Ų121108.1 Ų108.165%0.64756%0.563SS**Hα-helixtrans-70.5-40.4-173.3-147-50.8000112.2E2 S8E2-D4 VanDerWaalsContact C-N 3.31Å; E2-D4 PolarHBondContact O-N 3.28Å; D4-S8 WeakPolarHBondContact O-CB 3.11Å; D4-S8 PolarHBondContact O-N 2.88Å; D4-S8 PolarHBondContact O-OG 3.45Å
5L52.4Low52.4Low124 Ų124106.1 Ų106.165%0.64955%0.553SS**Hα-helixtrans-70.3-41.3178-158.484.7000111.5S8 I9L5-S8 PolarHBondContact O-N 3.36Å; L5-I9 HydrophobicContact CD2-CD1 4.21Å; L5-I9 HydrophobicContact CG-CD1 4.16Å; L5-I9 VanDerWaalsContact O-CG1 3.28Å; L5-I9 WeakPolarHBondContact O-CG1 3.23Å; L5-I9 PolarHBondContact O-N 3.45Å
6S53.1Low53Low56 Ų56103.9 Ų103.939%0.39254%0.541SS..Hα-helixtrans-60.7-49.7176.4-173.30000110S8 I9 H10S6-S8 VanDerWaalsContact C-N 3.31Å; S6-S8 PolarHBondContact O-N 3.19Å; S6-I9 PolarHBondContact O-N 3.35Å; S6-H10 PolarHBondContact O-N 2.95Å; S6-H10 PolarHBondContact O-ND1 3.33Å; S6-H10 PolarHBondContact OG-CE1 2.81Å; S6-H10 PolarHBondContact OG-ND1 3.25Å
7L52.7Low53.5Low87 Ų87101.7 Ų101.746%0.45554%0.536SS..Hα-helixtrans-58.2-43.7177.6-168.972.7000111.8L3 I9 H10 V11 L58L3-L7 PolarHBondContact O-N 3.1Å; L7-I9 PolarHBondContact O-N 2.82Å; L7-H10 PolarHBondContact O-N 3.48Å; L7-V11 VanDerWaalsContact O-CG2 3.24Å; L7-V11 WeakPolarHBondContact O-CG2 3.47Å; L7-V11 PolarHBondContact O-N 2.71Å; L7-L58 HydrophobicContact CD1-CD2 4.09Å
8S54.5Low54.1Low62 Ų6298.2 Ų98.243%0.43452%0.515SS..Hα-helixtrans-60.6-44.2177.9-65.50000112.6D4 L5 S6 V11 F12D4-S8 WeakPolarHBondContact O-CB 3.11Å; D4-S8 PolarHBondContact O-N 2.88Å; D4-S8 PolarHBondContact O-OG 3.45Å; L5-S8 PolarHBondContact O-N 3.36Å; S6-S8 VanDerWaalsContact C-N 3.31Å; S6-S8 PolarHBondContact O-N 3.19Å; S8-V11 PolarHBondContact O-N 3.39Å; S8-F12 WeakPolarHBondContact O-CB 3.38Å; S8-F12 PolarHBondContact O-N 3.41Å
9I56.6Low54.7Low86 Ų8699.1 Ų99.144%0.44152%0.516SS..Hα-helixtrans-64.5-42.1175.5-66.1164.5000110.3L5 S6 L7 V11 F12 M13L5-I9 HydrophobicContact CD2-CD1 4.21Å; L5-I9 HydrophobicContact CG-CD1 4.16Å; L5-I9 VanDerWaalsContact O-CG1 3.28Å; L5-I9 WeakPolarHBondContact O-CG1 3.23Å; L5-I9 PolarHBondContact O-N 3.45Å; S6-I9 PolarHBondContact O-N 3.35Å; L7-I9 PolarHBondContact O-N 2.82Å; I9-V11 VanDerWaalsContact C-N 3.28Å; I9-V11 PolarHBondContact O-N 3.02Å; I9-F12 PolarHBondContact O-N 2.86Å; I9-F12 VanDerWaalsContact O-N 3.12Å; I9-M13 HydrophobicContact CG2-CG 4.08Å; I9-M13 HydrophobicContact CG2-SD 4.16Å; I9-M13 WeakPolarHBondContact O-CG 3.47Å; I9-M13 PolarHBondContact O-N 2.86Å
10H51.4Low55.2Low68 Ų6899.8 Ų99.832%0.31552%0.517SS..Hα-helixtrans-69.8-22.6179.7-72.978.8000113.4S6 L7 P14 L58S6-H10 PolarHBondContact O-N 2.95Å; S6-H10 PolarHBondContact O-ND1 3.33Å; S6-H10 PolarHBondContact OG-CE1 2.81Å; S6-H10 PolarHBondContact OG-ND1 3.25Å; L7-H10 PolarHBondContact O-N 3.48Å; H10-P14 WeakPolarHBondContact O-CD 3.37Å; H10-P14 VanDerWaalsContact O-CG 3.23Å; H10-P14 WeakPolarHBondContact O-CG 3.41Å; H10-L58 HydrophobicContact CB-CD1 3.74Å; H10-L58 HydrophobicContact CB-CD2 4.21Å; H10-L58 VanDerWaalsContact CD2-CD1 3.43Å; H10-L58 WeakPolarHBondContact CD2-CD1 3.32Å
11V55.5Low55.6Low81 Ų8198.9 Ų98.949%0.49151%0.507SS..Hα-helixtrans-83.6-30.1170.3176.10000111L7 S8 I9 P14 N15L7-V11 VanDerWaalsContact O-CG2 3.24Å; L7-V11 WeakPolarHBondContact O-CG2 3.47Å; L7-V11 PolarHBondContact O-N 2.71Å; S8-V11 PolarHBondContact O-N 3.39Å; I9-V11 VanDerWaalsContact C-N 3.28Å; I9-V11 PolarHBondContact O-N 3.02Å; V11-P14 WeakPolarHBondContact O-CD 3.47Å; V11-P14 VanDerWaalsContact O-CG 3.24Å; V11-P14 WeakPolarHBondContact O-CG 3.23Å; V11-N15 PolarHBondContact O-ND2 3.26Å
12F53.7Low56.7Low133 Ų13388.4 Ų88.458%0.58346%0.455SS*.Hα-helixtrans-78.5-42.4-179.9-167.3-111.3000113.3S8 I9 N15 I16S8-F12 WeakPolarHBondContact O-CB 3.38Å; S8-F12 PolarHBondContact O-N 3.41Å; I9-F12 PolarHBondContact O-N 2.86Å; I9-F12 VanDerWaalsContact O-N 3.12Å; F12-N15 PolarHBondContact O-N 3.38Å; F12-N15 VanDerWaalsContact O-N 3.15Å; F12-I16 HydrophobicContact CD1-CD1 3.47Å; F12-I16 VanDerWaalsContact CD1-CD1 3.47Å; F12-I16 HydrophobicContact CD1-CG1 4.26Å; F12-I16 HydrophobicContact CE1-CD1 3.16Å; F12-I16 HydrophobicContact CE1-CG1 3.98Å; F12-I16 HydrophobicContact CG-CD1 4.44Å; F12-I16 HydrophobicContact CZ-CD1 3.89Å; F12-I16 HydrophobicContact CZ-CG1 4.28Å; F12-I16 PolarHBondContact O-N 3.45Å; F12-I16 VanDerWaalsContact O-N 3.15Å
13M54.5Low57.5Low108 Ų10885 Ų8553%0.53244%0.439SS..Hα-helixtrans-51.9-47176.1-75-169.485.900113.8I9 N15 I16 C17I9-M13 HydrophobicContact CG2-CG 4.08Å; I9-M13 HydrophobicContact CG2-SD 4.16Å; I9-M13 WeakPolarHBondContact O-CG 3.47Å; I9-M13 PolarHBondContact O-N 2.86Å; M13-N15 VanDerWaalsContact C-N 3.32Å; M13-N15 PolarHBondContact O-N 3.31Å; M13-I16 PolarHBondContact O-N 2.94Å; M13-C17 WeakPolarHBondContact O-CB 3.31Å; M13-C17 PolarHBondContact O-N 2.93Å; M13-C17 PolarHBondContact O-SG 3.49Å
14P54.5Low58.2Low26 Ų2682.8 Ų82.817%0.16943%0.426CS..Hα-helixtrans-67.7-30179.925-34.9000113.3H10 V11 F18 N54H10-P14 WeakPolarHBondContact O-CD 3.37Å; H10-P14 VanDerWaalsContact O-CG 3.23Å; H10-P14 WeakPolarHBondContact O-CG 3.41Å; V11-P14 WeakPolarHBondContact O-CD 3.47Å; V11-P14 VanDerWaalsContact O-CG 3.24Å; V11-P14 WeakPolarHBondContact O-CG 3.23Å; P14-F18 WeakPolarHBondContact O-CB 3.33Å; P14-F18 PolarHBondContact O-N 2.87Å; P14-N54 HydrophobicContact CB-CB 4.06Å; P14-N54 WeakPolarHBondContact CB-ND2 3.46Å
15N56.3Low58.6Low78 Ų7878.5 Ų78.542%0.41740%0.403SS..Hα-helixtrans-66.9-42.7173.9-78.5-41.1000111.4V11 F12 M13 H19V11-N15 PolarHBondContact O-ND2 3.26Å; F12-N15 PolarHBondContact O-N 3.38Å; F12-N15 VanDerWaalsContact O-N 3.15Å; M13-N15 VanDerWaalsContact C-N 3.32Å; M13-N15 PolarHBondContact O-N 3.31Å; N15-H19 WeakPolarHBondContact O-CB 3.29Å; N15-H19 PolarHBondContact O-N 2.93Å
16I62Low59.1Low70 Ų7075.8 Ų75.836%0.35939%0.385SS..Hα-helixtrans-65.1-51.2173.8-64.4168.8000110.1F12 M13 F18 H19 E20F12-I16 HydrophobicContact CD1-CD1 3.47Å; F12-I16 VanDerWaalsContact CD1-CD1 3.47Å; F12-I16 HydrophobicContact CD1-CG1 4.26Å; F12-I16 HydrophobicContact CE1-CD1 3.16Å; F12-I16 HydrophobicContact CE1-CG1 3.98Å; F12-I16 HydrophobicContact CG-CD1 4.44Å; F12-I16 HydrophobicContact CZ-CD1 3.89Å; F12-I16 HydrophobicContact CZ-CG1 4.28Å; F12-I16 PolarHBondContact O-N 3.45Å; F12-I16 VanDerWaalsContact O-N 3.15Å; M13-I16 PolarHBondContact O-N 2.94Å; I16-F18 PolarHBondContact O-N 2.91Å; I16-H19 CarbonylContact O-C 3.6Å; I16-H19 WeakPolarHBondContact O-CA 3.37Å; I16-H19 WeakPolarHBondContact O-CB 3.33Å; I16-H19 PolarHBondContact O-N 3.22Å; I16-E20 HydrophobicContact CG2-CG 4.1Å; I16-E20 PolarHBondContact O-N 3.49Å
17C60.3Low59.7Low67 Ų6777.6 Ų77.645%0.45340%0.397SS..Hα-helixtrans-58-38.1179.3-72.70000111.7M13 W21M13-C17 WeakPolarHBondContact O-CB 3.31Å; M13-C17 PolarHBondContact O-N 2.93Å; M13-C17 PolarHBondContact O-SG 3.49Å; C17-W21 WeakPolarHBondContact O-CA 3.41Å; C17-W21 WeakPolarHBondContact O-CB 3.38Å; C17-W21 PolarHBondContact O-N 2.79Å
18F64.7Low60.4Low38 Ų3879.6 Ų79.617%0.16741%0.407CS..Hα-helixtrans-64.8-45174.9179.1-100.3000111.3P14 I16 W21 M22 I46 F47 F50P14-F18 WeakPolarHBondContact O-CB 3.33Å; P14-F18 PolarHBondContact O-N 2.87Å; I16-F18 PolarHBondContact O-N 2.91Å; F18-W21 PolarHBondContact O-N 2.92Å; F18-M22 HydrophobicContact CD1-CG 4.2Å; F18-M22 HydrophobicContact CD2-CG 4.4Å; F18-M22 HydrophobicContact CE1-CG 3.78Å; F18-M22 HydrophobicContact CE2-CG 4Å; F18-M22 HydrophobicContact CE2-SD 4.32Å; F18-M22 HydrophobicContact CG-CG 4.49Å; F18-M22 HydrophobicContact CZ-CE 4.37Å; F18-M22 HydrophobicContact CZ-CG 3.68Å; F18-M22 HydrophobicContact CZ-SD 4.04Å; F18-M22 WeakPolarHBondContact O-CB 3.12Å; F18-M22 WeakPolarHBondContact O-CG 2.85Å; F18-M22 PolarHBondContact O-N 3.34Å; F18-I46 HydrophobicContact CE2-CG2 4.32Å; F18-F47 HydrophobicContact CD1-CD2 4.15Å; F18-F47 HydrophobicContact CD1-CE2 4.48Å; F18-F47 AromaticContact CE1-CD2 3.99Å; F18-F47 HydrophobicContact CE1-CD2 3.99Å; F18-F47 HydrophobicContact CE2-CD2 4.47Å; F18-F47 HydrophobicContact CG-CD2 4.46Å; F18-F47 HydrophobicContact CZ-CB 4.48Å; F18-F47 HydrophobicContact CZ-CD2 4.16Å; F18-F50 HydrophobicContact CD2-CB 4.33Å; F18-F50 HydrophobicContact CD2-CD2 4.32Å; F18-F50 HydrophobicContact CD2-CG 4.18Å; F18-F50 HydrophobicContact CE2-CD2 4.28Å
19H65.9Low60.2Low115 Ų11581.2 Ų81.253%0.53241%0.407SS..Hα-helixtrans-62.8-47.9177.4-170.566.4000111.6N15 I16 W21 M22 H23N15-H19 WeakPolarHBondContact O-CB 3.29Å; N15-H19 PolarHBondContact O-N 2.93Å; I16-H19 CarbonylContact O-C 3.6Å; I16-H19 WeakPolarHBondContact O-CA 3.37Å; I16-H19 WeakPolarHBondContact O-CB 3.33Å; I16-H19 PolarHBondContact O-N 3.22Å; H19-W21 PolarHBondContact O-N 3.48Å; H19-M22 PolarHBondContact O-N 2.88Å; H19-H23 AromaticContact CD2-CD2 3.62Å; H19-H23 AromaticContact CD2-NE2 3.84Å; H19-H23 AromaticContact CE1-CD2 3.64Å; H19-H23 AromaticContact CE1-NE2 3.28Å; H19-H23 PolarHBondContact CE1-NE2 2.73Å; H19-H23 VanDerWaalsContact CE1-NE2 3.28Å; H19-H23 AromaticContact CG-CD2 3.99Å; H19-H23 AromaticContact ND1-CD2 4Å; H19-H23 AromaticContact NE2-CD2 3.43Å; H19-H23 PolarHBondContact NE2-CD2 2.9Å; H19-H23 AromaticContact NE2-NE2 3.12Å; H19-H23 PolarHBondContact NE2-NE2 2.89Å; H19-H23 VanDerWaalsContact NE2-NE2 3.12Å; H19-H23 PolarHBondContact O-CD2 3.46Å; H19-H23 PolarHBondContact O-N 3.46Å
20E64.4Low60.3Low113 Ų11381.6 Ų81.653%0.52842%0.415SS..Hα-helixtrans-64.2-39.6176.6-70.3-170.2130.600112.3I16 H23 M24I16-E20 HydrophobicContact CG2-CG 4.1Å; I16-E20 PolarHBondContact O-N 3.49Å; E20-H23 WeakPolarHBondContact O-CB 3.43Å; E20-H23 PolarHBondContact O-N 3.3Å; E20-M24 WeakPolarHBondContact O-CG 3.33Å; E20-M24 PolarHBondContact O-N 3.4Å
21W64.4Low60.6Low82 Ų8279.9 Ų79.931%0.31141%0.411SS..Hα-helixtrans-65.7-42175.4-177.881.2000111.8C17 F18 H19 H23 M24 L25 F50C17-W21 WeakPolarHBondContact O-CA 3.41Å; C17-W21 WeakPolarHBondContact O-CB 3.38Å; C17-W21 PolarHBondContact O-N 2.79Å; F18-W21 PolarHBondContact O-N 2.92Å; H19-W21 PolarHBondContact O-N 3.48Å; W21-H23 VanDerWaalsContact C-N 3.34Å; W21-M24 PolarHBondContact O-N 3.39Å; W21-L25 HydrophobicContact CD2-CD1 3.97Å; W21-L25 HydrophobicContact CD2-CG 4.16Å; W21-L25 HydrophobicContact CE3-CD1 3.64Å; W21-L25 HydrophobicContact CE3-CG 4.29Å; W21-L25 HydrophobicContact CH2-CD1 3.2Å; W21-L25 HydrophobicContact CH2-CG 4.19Å; W21-L25 HydrophobicContact CZ2-CD1 3.5Å; W21-L25 HydrophobicContact CZ2-CD2 4.19Å; W21-L25 HydrophobicContact CZ2-CG 3.99Å; W21-L25 HydrophobicContact CZ3-CD1 3.25Å; W21-L25 HydrophobicContact CZ3-CG 4.3Å; W21-L25 PolarHBondContact O-N 3.21Å; W21-F50 AromaticContact CD2-CZ 3.9Å; W21-F50 HydrophobicContact CD2-CZ 3.9Å; W21-F50 AromaticContact CE2-CZ 3.83Å; W21-F50 HydrophobicContact CE3-CE2 4.02Å; W21-F50 AromaticContact CE3-CZ 3.82Å; W21-F50 HydrophobicContact CE3-CZ 3.82Å; W21-F50 AromaticContact CH2-CE2 3.48Å; W21-F50 HydrophobicContact CH2-CE2 3.48Å; W21-F50 VanDerWaalsContact CH2-CE2 3.48Å; W21-F50 AromaticContact CH2-CZ 3.56Å; W21-F50 HydrophobicContact CH2-CZ 3.56Å; W21-F50 HydrophobicContact CZ2-CE2 4.09Å; W21-F50 AromaticContact CZ2-CZ 3.69Å; W21-F50 HydrophobicContact CZ2-CZ 3.69Å; W21-F50 HydrophobicContact CZ3-CD2 4.42Å; W21-F50 AromaticContact CZ3-CE2 3.46Å; W21-F50 HydrophobicContact CZ3-CE2 3.46Å; W21-F50 VanDerWaalsContact CZ3-CE2 3.46Å; W21-F50 AromaticContact CZ3-CZ 3.66Å; W21-F50 HydrophobicContact CZ3-CZ 3.66Å
22M63.7Low60.5Low13 Ų1377.1 Ų77.16%0.06439%0.392CS..Hα-helixtrans-61.7-43.3172.1-74.4-68.6-83.400110.7F18 H19 M24 L25 Y26F18-M22 HydrophobicContact CD1-CG 4.2Å; F18-M22 HydrophobicContact CD2-CG 4.4Å; F18-M22 HydrophobicContact CE1-CG 3.78Å; F18-M22 HydrophobicContact CE2-CG 4Å; F18-M22 HydrophobicContact CE2-SD 4.32Å; F18-M22 HydrophobicContact CG-CG 4.49Å; F18-M22 HydrophobicContact CZ-CE 4.37Å; F18-M22 HydrophobicContact CZ-CG 3.68Å; F18-M22 HydrophobicContact CZ-SD 4.04Å; F18-M22 WeakPolarHBondContact O-CB 3.12Å; F18-M22 WeakPolarHBondContact O-CG 2.85Å; F18-M22 PolarHBondContact O-N 3.34Å; H19-M22 PolarHBondContact O-N 2.88Å; M22-M24 VanDerWaalsContact C-N 3.33Å; M22-M24 PolarHBondContact O-N 3.17Å; M22-L25 PolarHBondContact O-N 3.21Å; M22-L25 HydrophobicContact SD-CD1 4.34Å; M22-Y26 HydrophobicContact CB-CD2 4.36Å; M22-Y26 HydrophobicContact CB-CE2 3.96Å; M22-Y26 HydrophobicContact CE-CE2 4.09Å; M22-Y26 WeakPolarHBondContact CE-OH 3.23Å; M22-Y26 WeakPolarHBondContact O-CB 3.24Å; M22-Y26 WeakPolarHBondContact O-CD2 3.31Å; M22-Y26 VanDerWaalsContact O-CG 3.23Å; M22-Y26 PolarHBondContact O-N 3.33Å
23H64.5Low60.5Low107 Ų10775 Ų7550%0.49539%0.391SS..Hα-helixtrans-59.1-41173.2-89.6-76.6000112.9H19 E20 W21 Y26 S27H19-H23 AromaticContact CD2-CD2 3.62Å; H19-H23 AromaticContact CD2-NE2 3.84Å; H19-H23 AromaticContact CE1-CD2 3.64Å; H19-H23 AromaticContact CE1-NE2 3.28Å; H19-H23 PolarHBondContact CE1-NE2 2.73Å; H19-H23 VanDerWaalsContact CE1-NE2 3.28Å; H19-H23 AromaticContact CG-CD2 3.99Å; H19-H23 AromaticContact ND1-CD2 4Å; H19-H23 AromaticContact NE2-CD2 3.43Å; H19-H23 PolarHBondContact NE2-CD2 2.9Å; H19-H23 AromaticContact NE2-NE2 3.12Å; H19-H23 PolarHBondContact NE2-NE2 2.89Å; H19-H23 VanDerWaalsContact NE2-NE2 3.12Å; H19-H23 PolarHBondContact O-CD2 3.46Å; H19-H23 PolarHBondContact O-N 3.46Å; E20-H23 WeakPolarHBondContact O-CB 3.43Å; E20-H23 PolarHBondContact O-N 3.3Å; W21-H23 VanDerWaalsContact C-N 3.34Å; H23-Y26 PolarHBondContact O-N 3.25Å; H23-S27 PolarHBondContact O-N 3.06Å; H23-S27 VanDerWaalsContact O-N 3.07Å
24M65.3Low60.6Low104 Ų10474.6 Ų74.651%0.51239%0.39SS..Hα-helixtrans-67.2-40.5174.3-76.3-171.8-77.500112.3E20 W21 M22 S27 I28E20-M24 WeakPolarHBondContact O-CG 3.33Å; E20-M24 PolarHBondContact O-N 3.4Å; W21-M24 PolarHBondContact O-N 3.39Å; M22-M24 VanDerWaalsContact C-N 3.33Å; M22-M24 PolarHBondContact O-N 3.17Å; M24-S27 PolarHBondContact O-N 3.28Å; M24-S27 PolarHBondContact O-OG 2.68Å; M24-I28 WeakPolarHBondContact O-CD1 3.42Å; M24-I28 WeakPolarHBondContact O-CG1 3.28Å; M24-I28 PolarHBondContact O-N 2.9Å
25L61Low60.7Low31 Ų3178.1 Ų78.116%0.16241%0.412CS..Hα-helixtrans-62.2-44.8174.5-79.4-176.2000111.9W21 M22 S27 I28 H29 F32W21-L25 HydrophobicContact CD2-CD1 3.97Å; W21-L25 HydrophobicContact CD2-CG 4.16Å; W21-L25 HydrophobicContact CE3-CD1 3.64Å; W21-L25 HydrophobicContact CE3-CG 4.29Å; W21-L25 HydrophobicContact CH2-CD1 3.2Å; W21-L25 HydrophobicContact CH2-CG 4.19Å; W21-L25 HydrophobicContact CZ2-CD1 3.5Å; W21-L25 HydrophobicContact CZ2-CD2 4.19Å; W21-L25 HydrophobicContact CZ2-CG 3.99Å; W21-L25 HydrophobicContact CZ3-CD1 3.25Å; W21-L25 HydrophobicContact CZ3-CG 4.3Å; W21-L25 PolarHBondContact O-N 3.21Å; M22-L25 PolarHBondContact O-N 3.21Å; M22-L25 HydrophobicContact SD-CD1 4.34Å; L25-S27 PolarHBondContact O-N 3.02Å; L25-I28 PolarHBondContact O-N 2.93Å; L25-H29 PolarHBondContact O-N 3.38Å; L25-F32 VanDerWaalsContact O-CD2 3.31Å; L25-F32 WeakPolarHBondContact O-CD2 3.41Å
26Y62.1Low60.7Low67 Ų6779 Ų7926%0.26342%0.424SS..Hα-helixtrans-61.6-31.6176.9-67.8-49000112.4M22 H23 F32 A38M22-Y26 HydrophobicContact CB-CD2 4.36Å; M22-Y26 HydrophobicContact CB-CE2 3.96Å; M22-Y26 HydrophobicContact CE-CE2 4.09Å; M22-Y26 WeakPolarHBondContact CE-OH 3.23Å; M22-Y26 WeakPolarHBondContact O-CB 3.24Å; M22-Y26 WeakPolarHBondContact O-CD2 3.31Å; M22-Y26 VanDerWaalsContact O-CG 3.23Å; M22-Y26 PolarHBondContact O-N 3.33Å; H23-Y26 PolarHBondContact O-N 3.25Å; Y26-F32 HydrophobicContact CD1-CB 3.48Å; Y26-F32 VanDerWaalsContact CD1-CB 3.48Å; Y26-F32 VanDerWaalsContact CD1-O 3.31Å; Y26-F32 WeakPolarHBondContact CD1-O 3.27Å; Y26-F32 HydrophobicContact CE1-CB 3.9Å; Y26-F32 WeakPolarHBondContact CE1-O 3.23Å; Y26-A38 HydrophobicContact CE1-CB 3.94Å
27S66.2Low60.2Low93 Ų9380.4 Ų80.465%0.6543%0.425SS*.Hα-helixtrans-81.1-31.8178.171.20000113.6H23 M24 L25H23-S27 PolarHBondContact O-N 3.06Å; H23-S27 VanDerWaalsContact O-N 3.07Å; M24-S27 PolarHBondContact O-N 3.28Å; M24-S27 PolarHBondContact O-OG 2.68Å; L25-S27 PolarHBondContact O-N 3.02Å
28I66Low59.8Low130 Ų13077.9 Ų77.967%0.66741%0.409SS*.Hα-helixtrans-73.6-33.4-178.9-69164.3000111.5M24 L25M24-I28 WeakPolarHBondContact O-CD1 3.42Å; M24-I28 WeakPolarHBondContact O-CG1 3.28Å; M24-I28 PolarHBondContact O-N 2.9Å; L25-I28 PolarHBondContact O-N 2.93Å
29H51.7Low59.2Low95 Ų9582.6 Ų82.644%0.4443%0.432SS..  trans-139.2110.2-178-162.6-86.8000111.4L25 S31 F32L25-H29 PolarHBondContact O-N 3.38Å; H29-S31 WeakPolarHBondContact CE1-CB 3.02Å; H29-S31 PolarHBondContact CE1-OG 3.29Å; H29-S31 WeakPolarHBondContact ND1-CB 3.44Å; H29-S31 PolarHBondContact ND1-N 3.24Å; H29-S31 PolarHBondContact ND1-OG 2.91Å; H29-S31 PolarHBondContact O-N 3.36Å; H29-F32 HydrophobicContact CB-CD2 3.51Å; H29-F32 HydrophobicContact CB-CE2 3.53Å; H29-F32 WeakPolarHBondContact O-CD2 3.21Å; H29-F32 PolarHBondContact O-N 3.29Å
30P59Low58.7Low94 Ų9479.5 Ų79.561%0.6143%0.43SS*.G310 helixtrans-61.3-19.4-177.221.6-30.9000113.1F32 T33P30-F32 PolarHBondContact O-N 2.87Å; P30-F32 VanDerWaalsContact O-N 3.16Å; P30-T33 WeakPolarHBondContact O-CB 3.47Å; P30-T33 PolarHBondContact O-N 3.39Å; P30-T33 PolarHBondContact O-OG1 3Å
31S57.8Low58.1Low32 Ų3277.1 Ų77.122%0.22442%0.418CS..G310 helixtrans-65.4-15.2172.691.90000113.8H29 T33 Y37H29-S31 WeakPolarHBondContact CE1-CB 3.02Å; H29-S31 PolarHBondContact CE1-OG 3.29Å; H29-S31 WeakPolarHBondContact ND1-CB 3.44Å; H29-S31 PolarHBondContact ND1-N 3.24Å; H29-S31 PolarHBondContact ND1-OG 2.91Å; H29-S31 PolarHBondContact O-N 3.36Å; S31-T33 VanDerWaalsContact C-N 3.31Å; S31-Y37 WeakPolarHBondContact O-CB 3.49Å
32F51.8Low57.7Low23 Ų2375.8 Ų75.810%0.10142%0.422CS..G310 helixtrans-79.2-16.4170.3-65.3-84.9000111.8L25 Y26 H29 P30 D34 Y37 A38 F41L25-F32 VanDerWaalsContact O-CD2 3.31Å; L25-F32 WeakPolarHBondContact O-CD2 3.41Å; Y26-F32 HydrophobicContact CD1-CB 3.48Å; Y26-F32 VanDerWaalsContact CD1-CB 3.48Å; Y26-F32 VanDerWaalsContact CD1-O 3.31Å; Y26-F32 WeakPolarHBondContact CD1-O 3.27Å; Y26-F32 HydrophobicContact CE1-CB 3.9Å; Y26-F32 WeakPolarHBondContact CE1-O 3.23Å; H29-F32 HydrophobicContact CB-CD2 3.51Å; H29-F32 HydrophobicContact CB-CE2 3.53Å; H29-F32 WeakPolarHBondContact O-CD2 3.21Å; H29-F32 PolarHBondContact O-N 3.29Å; P30-F32 PolarHBondContact O-N 2.87Å; P30-F32 VanDerWaalsContact O-N 3.16Å; F32-D34 VanDerWaalsContact C-N 3.3Å; F32-Y37 HydrophobicContact CB-CD1 4.39Å; F32-Y37 AromaticContact CD1-CD1 3.35Å; F32-Y37 HydrophobicContact CD1-CD1 3.35Å; F32-Y37 AromaticContact CD1-CE1 3.23Å; F32-Y37 HydrophobicContact CD1-CE1 3.23Å; F32-Y37 AromaticContact CE1-CD1 3.89Å; F32-Y37 HydrophobicContact CE1-CD1 3.89Å; F32-Y37 AromaticContact CE1-CE1 3.23Å; F32-Y37 HydrophobicContact CE1-CE1 3.23Å; F32-Y37 AromaticContact CG-CD1 3.98Å; F32-Y37 HydrophobicContact CG-CD1 3.98Å; F32-Y37 HydrophobicContact CG-CE1 4.04Å; F32-Y37 AromaticContact CZ-CE1 3.96Å; F32-Y37 HydrophobicContact CZ-CE1 3.96Å; F32-A38 WeakPolarHBondContact O-CB 3.37Å; F32-F41 HydrophobicContact CD1-CD2 4.23Å; F32-F41 HydrophobicContact CD1-CG 4.22Å; F32-F41 AromaticContact CE1-CD1 3.98Å; F32-F41 HydrophobicContact CE1-CD1 3.98Å; F32-F41 AromaticContact CE1-CD2 3.83Å; F32-F41 HydrophobicContact CE1-CD2 3.83Å; F32-F41 HydrophobicContact CE1-CE1 4.01Å; F32-F41 AromaticContact CE1-CE2 3.86Å; F32-F41 HydrophobicContact CE1-CE2 3.86Å; F32-F41 AromaticContact CE1-CG 3.88Å; F32-F41 HydrophobicContact CE1-CG 3.88Å; F32-F41 AromaticContact CE1-CZ 3.94Å; F32-F41 HydrophobicContact CE1-CZ 3.94Å; F32-F41 HydrophobicContact CZ-CZ 4.5Å
33T53.7Low57.5Low90 Ų9076.7 Ų76.755%0.55243%0.429SS*.THydrogen-bonded Turntrans-76.5-21.4174.665.20000112.5P30 S31 T35P30-T33 WeakPolarHBondContact O-CB 3.47Å; P30-T33 PolarHBondContact O-N 3.39Å; P30-T33 PolarHBondContact O-OG1 3Å; S31-T33 VanDerWaalsContact C-N 3.31Å; T33-T35 PolarHBondContact O-N 2.83Å
34D56.4Low57.3Low98 Ų9876.1 Ų76.152%0.52444%0.435SS..SBendtrans-61112.2166.5-77.7-43000108.1F32 S36 Y37 A38F32-D34 VanDerWaalsContact C-N 3.3Å; D34-S36 PolarHBondContact O-N 2.89Å; D34-Y37 WeakPolarHBondContact O-CA 3.34Å; D34-Y37 PolarHBondContact O-N 3.26Å; D34-A38 PolarHBondContact O-N 2.82Å
35T56.9Low57.1Low101 Ų10177.1 Ų77.162%0.6244%0.442SS*.Hα-helixtrans-52.9-29.6-176.251.20000112.2T33 H39T33-T35 PolarHBondContact O-N 2.83Å; T35-H39 WeakPolarHBondContact O-CB 3.32Å; T35-H39 PolarHBondContact O-CD2 3.28Å; T35-H39 VanDerWaalsContact O-CG 3.26Å; T35-H39 PolarHBondContact O-N 2.84Å
36S58Low57.4Low95 Ų9577.5 Ų77.566%0.66444%0.444SS*.Hα-helixtrans-61.9-42.2173.556.60000113.2D34 G40D34-S36 PolarHBondContact O-N 2.89Å; S36-G40 PolarHBondContact O-N 2.79Å
37Y50.2Low57.7Low101 Ų10178.5 Ų78.540%0.39645%0.449SS..Hα-helixtrans-79-39.6177.4-161-82.4000111.1S31 F32 D34 H39 G40 F41S31-Y37 WeakPolarHBondContact O-CB 3.49Å; F32-Y37 HydrophobicContact CB-CD1 4.39Å; F32-Y37 AromaticContact CD1-CD1 3.35Å; F32-Y37 HydrophobicContact CD1-CD1 3.35Å; F32-Y37 AromaticContact CD1-CE1 3.23Å; F32-Y37 HydrophobicContact CD1-CE1 3.23Å; F32-Y37 AromaticContact CE1-CD1 3.89Å; F32-Y37 HydrophobicContact CE1-CD1 3.89Å; F32-Y37 AromaticContact CE1-CE1 3.23Å; F32-Y37 HydrophobicContact CE1-CE1 3.23Å; F32-Y37 AromaticContact CG-CD1 3.98Å; F32-Y37 HydrophobicContact CG-CD1 3.98Å; F32-Y37 HydrophobicContact CG-CE1 4.04Å; F32-Y37 AromaticContact CZ-CE1 3.96Å; F32-Y37 HydrophobicContact CZ-CE1 3.96Å; D34-Y37 WeakPolarHBondContact O-CA 3.34Å; D34-Y37 PolarHBondContact O-N 3.26Å; Y37-H39 VanDerWaalsContact C-N 3.26Å; Y37-H39 PolarHBondContact O-N 3.5Å; Y37-G40 WeakPolarHBondContact O-CA 3.38Å; Y37-G40 PolarHBondContact O-N 3.43Å; Y37-G40 VanDerWaalsContact O-N 3.08Å; Y37-F41 AromaticContact CD1-CD2 3.86Å; Y37-F41 HydrophobicContact CD1-CD2 3.86Å; Y37-F41 HydrophobicContact CD1-CE2 4.36Å; Y37-F41 AromaticContact CE1-CD2 3.29Å; Y37-F41 HydrophobicContact CE1-CD2 3.29Å; Y37-F41 AromaticContact CE1-CE2 3.36Å; Y37-F41 HydrophobicContact CE1-CE2 3.36Å; Y37-F41 HydrophobicContact CE1-CG 4.3Å; Y37-F41 HydrophobicContact CE1-CZ 4.41Å; Y37-F41 AromaticContact CZ-CD2 3.95Å; Y37-F41 AromaticContact CZ-CE2 3.61Å; Y37-F41 PolarHBondContact O-N 3.3Å; Y37-F41 WeakPolarHBondContact OH-CE2 3.24Å
38A52.7Low57.8Low13 Ų1377.2 Ų77.211%0.10744%0.44CS..Hα-helixtrans-57.1-40.1171.300000111.3Y26 F32 D34 F41 S42Y26-A38 HydrophobicContact CE1-CB 3.94Å; F32-A38 WeakPolarHBondContact O-CB 3.37Å; D34-A38 PolarHBondContact O-N 2.82Å; A38-F41 PolarHBondContact O-N 3.28Å; A38-S42 WeakPolarHBondContact O-CA 3.16Å; A38-S42 WeakPolarHBondContact O-CB 3.37Å; A38-S42 PolarHBondContact O-N 3.4Å; A38-S42 PolarHBondContact O-OG 3.15Å
39H52.6Low58.1Low138 Ų13874.8 Ų74.864%0.63943%0.432SS*.Hα-helixtrans-69.4-32.3175.2-80.4-58.7000112.9T35 Y37 S42T35-H39 WeakPolarHBondContact O-CB 3.32Å; T35-H39 PolarHBondContact O-CD2 3.28Å; T35-H39 VanDerWaalsContact O-CG 3.26Å; T35-H39 PolarHBondContact O-N 2.84Å; Y37-H39 VanDerWaalsContact C-N 3.26Å; Y37-H39 PolarHBondContact O-N 3.5Å; H39-S42 VanDerWaalsContact CA-OG 3.31Å; H39-S42 WeakPolarHBondContact CA-OG 3.42Å
40G55Low59Low49 Ų4973.1 Ų73.151%0.50542%0.423SS..Hα-helixtrans-65.7-38.2170.400000113.1S36 Y37 S43S36-G40 PolarHBondContact O-N 2.79Å; Y37-G40 WeakPolarHBondContact O-CA 3.38Å; Y37-G40 PolarHBondContact O-N 3.43Å; Y37-G40 VanDerWaalsContact O-N 3.08Å; G40-S43 VanDerWaalsContact O-CB 3.28Å; G40-S43 WeakPolarHBondContact O-CB 3.24Å
41F50.9Low59.5Low64 Ų6471 Ų7128%0.28141%0.409SS..Hα-helixtrans-89.3-28.9-179.5-100.2-96.9000114.9F32 Y37 A38 S43 I46F32-F41 HydrophobicContact CD1-CD2 4.23Å; F32-F41 HydrophobicContact CD1-CG 4.22Å; F32-F41 AromaticContact CE1-CD1 3.98Å; F32-F41 HydrophobicContact CE1-CD1 3.98Å; F32-F41 AromaticContact CE1-CD2 3.83Å; F32-F41 HydrophobicContact CE1-CD2 3.83Å; F32-F41 HydrophobicContact CE1-CE1 4.01Å; F32-F41 AromaticContact CE1-CE2 3.86Å; F32-F41 HydrophobicContact CE1-CE2 3.86Å; F32-F41 AromaticContact CE1-CG 3.88Å; F32-F41 HydrophobicContact CE1-CG 3.88Å; F32-F41 AromaticContact CE1-CZ 3.94Å; F32-F41 HydrophobicContact CE1-CZ 3.94Å; F32-F41 HydrophobicContact CZ-CZ 4.5Å; Y37-F41 AromaticContact CD1-CD2 3.86Å; Y37-F41 HydrophobicContact CD1-CD2 3.86Å; Y37-F41 HydrophobicContact CD1-CE2 4.36Å; Y37-F41 AromaticContact CE1-CD2 3.29Å; Y37-F41 HydrophobicContact CE1-CD2 3.29Å; Y37-F41 AromaticContact CE1-CE2 3.36Å; Y37-F41 HydrophobicContact CE1-CE2 3.36Å; Y37-F41 HydrophobicContact CE1-CG 4.3Å; Y37-F41 HydrophobicContact CE1-CZ 4.41Å; Y37-F41 AromaticContact CZ-CD2 3.95Å; Y37-F41 AromaticContact CZ-CE2 3.61Å; Y37-F41 PolarHBondContact O-N 3.3Å; Y37-F41 WeakPolarHBondContact OH-CE2 3.24Å; A38-F41 PolarHBondContact O-N 3.28Å; F41-S43 PolarHBondContact O-N 2.84Å; F41-S43 VanDerWaalsContact O-N 3.15Å; F41-I46 HydrophobicContact CB-CD1 4.14Å; F41-I46 HydrophobicContact CD1-CD1 3.53Å; F41-I46 HydrophobicContact CE1-CD1 4.09Å; F41-I46 HydrophobicContact CG-CD1 3.92Å; F41-I46 WeakPolarHBondContact O-CB 2.97Å; F41-I46 WeakPolarHBondContact O-CD1 3.39Å
42S56.8Low60.4Low54 Ų5474.3 Ų74.338%0.37842%0.423SS..SBendtrans-77.515.3167.559.10000112A38 H39A38-S42 WeakPolarHBondContact O-CA 3.16Å; A38-S42 WeakPolarHBondContact O-CB 3.37Å; A38-S42 PolarHBondContact O-N 3.4Å; A38-S42 PolarHBondContact O-OG 3.15Å; H39-S42 VanDerWaalsContact CA-OG 3.31Å; H39-S42 WeakPolarHBondContact CA-OG 3.42Å
43S58.4Low61.7Low31 Ų3177.6 Ų77.622%0.21744%0.441CS..  trans-51.1132.1169.3177.60000108.8G40 F41 L45 I46G40-S43 VanDerWaalsContact O-CB 3.28Å; G40-S43 WeakPolarHBondContact O-CB 3.24Å; F41-S43 PolarHBondContact O-N 2.84Å; F41-S43 VanDerWaalsContact O-N 3.15Å; S43-L45 PolarHBondContact O-N 3.15Å; S43-L45 WeakPolarHBondContact OG-CB 3.24Å; S43-L45 PolarHBondContact OG-N 3.12Å; S43-I46 PolarHBondContact O-N 3.47Å
44P60Low62.5Low96 Ų9676.2 Ų76.262%0.62343%0.43SS*.Hα-helixtrans-52.1-20.3175.120.5-32.4000112.2S48P44-S48 WeakPolarHBondContact O-CB 3.21Å; P44-S48 PolarHBondContact O-N 3.32Å; P44-S48 PolarHBondContact O-OG 2.99Å
45L62.8Low63.5Low125 Ų12576 Ų7665%0.65443%0.428SS*.Hα-helixtrans-61-47.1171.4-66.4173.1000113.5S43 S48 V49S43-L45 PolarHBondContact O-N 3.15Å; S43-L45 WeakPolarHBondContact OG-CB 3.24Å; S43-L45 PolarHBondContact OG-N 3.12Å; L45-S48 WeakPolarHBondContact O-CB 3.37Å; L45-S48 PolarHBondContact O-N 2.96Å; L45-V49 VanDerWaalsContact O-CG2 3.31Å; L45-V49 WeakPolarHBondContact O-CG2 3.49Å; L45-V49 PolarHBondContact O-N 3.37Å
46I66.9Low64.5Low39 Ų3975 Ų7520%0.242%0.418CS..Hα-helixtrans-68-44.3-178.4-74.2161.6000109.6F18 F41 S43 S48 V49 F50F18-I46 HydrophobicContact CE2-CG2 4.32Å; F41-I46 HydrophobicContact CB-CD1 4.14Å; F41-I46 HydrophobicContact CD1-CD1 3.53Å; F41-I46 HydrophobicContact CE1-CD1 4.09Å; F41-I46 HydrophobicContact CG-CD1 3.92Å; F41-I46 WeakPolarHBondContact O-CB 2.97Å; F41-I46 WeakPolarHBondContact O-CD1 3.39Å; S43-I46 PolarHBondContact O-N 3.47Å; I46-S48 VanDerWaalsContact C-N 3.28Å; I46-S48 PolarHBondContact O-N 2.93Å; I46-V49 PolarHBondContact O-N 3.35Å; I46-F50 HydrophobicContact CG2-CD2 3.93Å; I46-F50 HydrophobicContact CG2-CE2 4.12Å; I46-F50 WeakPolarHBondContact O-CD2 3.48Å; I46-F50 PolarHBondContact O-N 2.9Å
47F67.2Low65.4Low87 Ų8773.9 Ų73.938%0.38241%0.408SS..Hα-helixtrans-58.1-41.6172-176.4-100.4000112F18 F50 T51F18-F47 HydrophobicContact CD1-CD2 4.15Å; F18-F47 HydrophobicContact CD1-CE2 4.48Å; F18-F47 AromaticContact CE1-CD2 3.99Å; F18-F47 HydrophobicContact CE1-CD2 3.99Å; F18-F47 HydrophobicContact CE2-CD2 4.47Å; F18-F47 HydrophobicContact CG-CD2 4.46Å; F18-F47 HydrophobicContact CZ-CB 4.48Å; F18-F47 HydrophobicContact CZ-CD2 4.16Å; F47-F50 PolarHBondContact O-N 3.22Å; F47-T51 VanDerWaalsContact O-CB 3.24Å; F47-T51 WeakPolarHBondContact O-CB 3.47Å; F47-T51 PolarHBondContact O-N 2.81Å; F47-T51 PolarHBondContact O-OG1 2.91Å
48S68.7Low66.6Low66 Ų6670.5 Ų70.546%0.46240%0.397SS..Hα-helixtrans-64.8-42.6177.2-61.50000112.4P44 L45 I46 T51 L52P44-S48 WeakPolarHBondContact O-CB 3.21Å; P44-S48 PolarHBondContact O-N 3.32Å; P44-S48 PolarHBondContact O-OG 2.99Å; L45-S48 WeakPolarHBondContact O-CB 3.37Å; L45-S48 PolarHBondContact O-N 2.96Å; I46-S48 VanDerWaalsContact C-N 3.28Å; I46-S48 PolarHBondContact O-N 2.93Å; S48-T51 PolarHBondContact O-N 3.32Å; S48-L52 VanDerWaalsContact O-CB 3.23Å; S48-L52 WeakPolarHBondContact O-CB 3.5Å; S48-L52 PolarHBondContact O-N 2.72Å
49V73.4Confident67.7Low80 Ų8072.9 Ų72.949%0.48541%0.412SS..Hα-helixtrans-65.1-45.2178171.10000110.6L45 I46 L52 L53L45-V49 VanDerWaalsContact O-CG2 3.31Å; L45-V49 WeakPolarHBondContact O-CG2 3.49Å; L45-V49 PolarHBondContact O-N 3.37Å; I46-V49 PolarHBondContact O-N 3.35Å; V49-L52 PolarHBondContact O-N 2.86Å; V49-L53 HydrophobicContact CG1-CD1 4.07Å; V49-L53 HydrophobicContact CG1-CG 4.43Å; V49-L53 WeakPolarHBondContact O-CG 3.31Å; V49-L53 PolarHBondContact O-N 3.44Å
50F69.2Low68.6Low59 Ų5971 Ų7126%0.25941%0.407SS..Hα-helixtrans-62.5-46175.5-93.4-84.9000111.9F18 W21 I46 F47 L52 L53 N54F18-F50 HydrophobicContact CD2-CB 4.33Å; F18-F50 HydrophobicContact CD2-CD2 4.32Å; F18-F50 HydrophobicContact CD2-CG 4.18Å; F18-F50 HydrophobicContact CE2-CD2 4.28Å; W21-F50 AromaticContact CD2-CZ 3.9Å; W21-F50 HydrophobicContact CD2-CZ 3.9Å; W21-F50 AromaticContact CE2-CZ 3.83Å; W21-F50 HydrophobicContact CE3-CE2 4.02Å; W21-F50 AromaticContact CE3-CZ 3.82Å; W21-F50 HydrophobicContact CE3-CZ 3.82Å; W21-F50 AromaticContact CH2-CE2 3.48Å; W21-F50 HydrophobicContact CH2-CE2 3.48Å; W21-F50 VanDerWaalsContact CH2-CE2 3.48Å; W21-F50 AromaticContact CH2-CZ 3.56Å; W21-F50 HydrophobicContact CH2-CZ 3.56Å; W21-F50 HydrophobicContact CZ2-CE2 4.09Å; W21-F50 AromaticContact CZ2-CZ 3.69Å; W21-F50 HydrophobicContact CZ2-CZ 3.69Å; W21-F50 HydrophobicContact CZ3-CD2 4.42Å; W21-F50 AromaticContact CZ3-CE2 3.46Å; W21-F50 HydrophobicContact CZ3-CE2 3.46Å; W21-F50 VanDerWaalsContact CZ3-CE2 3.46Å; W21-F50 AromaticContact CZ3-CZ 3.66Å; W21-F50 HydrophobicContact CZ3-CZ 3.66Å; I46-F50 HydrophobicContact CG2-CD2 3.93Å; I46-F50 HydrophobicContact CG2-CE2 4.12Å; I46-F50 WeakPolarHBondContact O-CD2 3.48Å; I46-F50 PolarHBondContact O-N 2.9Å; F47-F50 PolarHBondContact O-N 3.22Å; F50-L52 VanDerWaalsContact C-N 3.28Å; F50-L52 PolarHBondContact O-N 2.83Å; F50-L53 PolarHBondContact O-N 3.49Å; F50-N54 WeakPolarHBondContact O-CB 3.45Å; F50-N54 VanDerWaalsContact O-CG 3.28Å; F50-N54 PolarHBondContact O-N 3.38Å; F50-N54 PolarHBondContact O-ND2 3.21Å
51T69.5Low69.7Low51 Ų5173.6 Ų73.631%0.31341%0.406SS..Hα-helixtrans-57.8-44.1175.8-59.80000110.6F47 S48 N54 I55F47-T51 VanDerWaalsContact O-CB 3.24Å; F47-T51 WeakPolarHBondContact O-CB 3.47Å; F47-T51 PolarHBondContact O-N 2.81Å; F47-T51 PolarHBondContact O-OG1 2.91Å; S48-T51 PolarHBondContact O-N 3.32Å; T51-N54 PolarHBondContact O-N 2.88Å; T51-I55 HydrophobicContact CG2-CD1 3.85Å; T51-I55 HydrophobicContact CG2-CG1 4.49Å; T51-I55 VanDerWaalsContact O-CG1 3.24Å; T51-I55 WeakPolarHBondContact O-CG1 2.92Å; T51-I55 PolarHBondContact O-N 2.62Å
52L77.3Confident71Confident100 Ų10074.3 Ų74.352%0.52441%0.412SS..Hα-helixtrans-63.1-47.3177.3-17667.3000112.2S48 V49 F50 N54 I55 I56S48-L52 VanDerWaalsContact O-CB 3.23Å; S48-L52 WeakPolarHBondContact O-CB 3.5Å; S48-L52 PolarHBondContact O-N 2.72Å; V49-L52 PolarHBondContact O-N 2.86Å; F50-L52 VanDerWaalsContact C-N 3.28Å; F50-L52 PolarHBondContact O-N 2.83Å; L52-N54 VanDerWaalsContact C-N 3.28Å; L52-N54 PolarHBondContact O-N 2.84Å; L52-I55 PolarHBondContact O-N 2.84Å; L52-I56 HydrophobicContact CD1-CD1 4.37Å; L52-I56 HydrophobicContact CG-CD1 3.97Å; L52-I56 VanDerWaalsContact O-CG1 3.27Å; L52-I56 WeakPolarHBondContact O-CG1 3.33Å; L52-I56 PolarHBondContact O-N 3.33Å
53L79.1Confident71.8Confident92 Ų9275.1 Ų75.148%0.48242%0.416SS..Hα-helixtrans-60.8-38.4177.5-72.7173.1000111.9V49 F50 I56 T57V49-L53 HydrophobicContact CG1-CD1 4.07Å; V49-L53 HydrophobicContact CG1-CG 4.43Å; V49-L53 WeakPolarHBondContact O-CG 3.31Å; V49-L53 PolarHBondContact O-N 3.44Å; F50-L53 PolarHBondContact O-N 3.49Å; L53-I56 PolarHBondContact O-N 2.96Å; L53-T57 WeakPolarHBondContact O-CB 3.33Å; L53-T57 PolarHBondContact O-N 3.26Å; L53-T57 PolarHBondContact O-OG1 3.2Å
54N70.8Confident72.4Confident61 Ų6178 Ų7833%0.32643%0.433SS..Hα-helixtrans-68.5-42.7175.8-72.4-38.4000111.9P14 F50 T51 L52 I56 T57 L58P14-N54 HydrophobicContact CB-CB 4.06Å; P14-N54 WeakPolarHBondContact CB-ND2 3.46Å; F50-N54 WeakPolarHBondContact O-CB 3.45Å; F50-N54 VanDerWaalsContact O-CG 3.28Å; F50-N54 PolarHBondContact O-N 3.38Å; F50-N54 PolarHBondContact O-ND2 3.21Å; T51-N54 PolarHBondContact O-N 2.88Å; L52-N54 VanDerWaalsContact C-N 3.28Å; L52-N54 PolarHBondContact O-N 2.84Å; N54-I56 VanDerWaalsContact C-N 3.34Å; N54-I56 PolarHBondContact O-N 3.49Å; N54-T57 PolarHBondContact O-N 3.22Å; N54-L58 VanDerWaalsContact O-CB 3.29Å; N54-L58 WeakPolarHBondContact O-CB 3.21Å; N54-L58 PolarHBondContact O-N 2.81Å
55I76.5Confident73.1Confident94 Ų9476.6 Ų76.648%0.48242%0.424SS..Hα-helixtrans-60.6-43.5174.4-70165.8000110.8T51 L52 L58 S59T51-I55 HydrophobicContact CG2-CD1 3.85Å; T51-I55 HydrophobicContact CG2-CG1 4.49Å; T51-I55 VanDerWaalsContact O-CG1 3.24Å; T51-I55 WeakPolarHBondContact O-CG1 2.92Å; T51-I55 PolarHBondContact O-N 2.62Å; L52-I55 PolarHBondContact O-N 2.84Å; I55-L58 PolarHBondContact O-N 2.86Å; I55-S59 WeakPolarHBondContact O-CB 3.31Å; I55-S59 PolarHBondContact O-N 3.31Å; I55-S59 PolarHBondContact O-OG 3.07Å
56I78.5Confident73.2Confident79 Ų7974.7 Ų74.741%0.40542%0.415SS..Hα-helixtrans-63.3-47.3177.4-68.8165.9000110.6L52 L53 N54 L58 S59 N60L52-I56 HydrophobicContact CD1-CD1 4.37Å; L52-I56 HydrophobicContact CG-CD1 3.97Å; L52-I56 VanDerWaalsContact O-CG1 3.27Å; L52-I56 WeakPolarHBondContact O-CG1 3.33Å; L52-I56 PolarHBondContact O-N 3.33Å; L53-I56 PolarHBondContact O-N 2.96Å; N54-I56 VanDerWaalsContact C-N 3.34Å; N54-I56 PolarHBondContact O-N 3.49Å; I56-L58 VanDerWaalsContact C-N 3.34Å; I56-L58 PolarHBondContact O-N 3.33Å; I56-S59 PolarHBondContact O-N 3.42Å; I56-N60 PolarHBondContact O-N 3.26Å
57T77.4Confident73.5Confident72 Ų7275.7 Ų75.744%0.44243%0.425SS..Hα-helixtrans-61.6-44.2179.8-58.10000111.2L53 N54 N60 Q61L53-T57 WeakPolarHBondContact O-CB 3.33Å; L53-T57 PolarHBondContact O-N 3.26Å; L53-T57 PolarHBondContact O-OG1 3.2Å; N54-T57 PolarHBondContact O-N 3.22Å; T57-N60 PolarHBondContact O-N 3.43Å; T57-Q61 WeakPolarHBondContact O-CG 3.25Å; T57-Q61 PolarHBondContact O-N 2.93Å
58L75.1Confident73.7Confident31 Ų3174.8 Ų74.816%0.16243%0.429CS..Hα-helixtrans-62.3-44.3175.8-177.863000111.7L7 H10 N54 I55 I56 N60 Q61 I62L7-L58 HydrophobicContact CD1-CD2 4.09Å; H10-L58 HydrophobicContact CB-CD1 3.74Å; H10-L58 HydrophobicContact CB-CD2 4.21Å; H10-L58 VanDerWaalsContact CD2-CD1 3.43Å; H10-L58 WeakPolarHBondContact CD2-CD1 3.32Å; N54-L58 VanDerWaalsContact O-CB 3.29Å; N54-L58 WeakPolarHBondContact O-CB 3.21Å; N54-L58 PolarHBondContact O-N 2.81Å; I55-L58 PolarHBondContact O-N 2.86Å; I56-L58 VanDerWaalsContact C-N 3.34Å; I56-L58 PolarHBondContact O-N 3.33Å; L58-N60 VanDerWaalsContact C-N 3.29Å; L58-N60 PolarHBondContact O-N 3.03Å; L58-Q61 PolarHBondContact O-N 3.04Å; L58-I62 HydrophobicContact CD1-CD1 4.21Å; L58-I62 HydrophobicContact CD1-CG1 4.44Å; L58-I62 HydrophobicContact CG-CD1 3.96Å; L58-I62 WeakPolarHBondContact O-CG1 3.16Å; L58-I62 PolarHBondContact O-N 3.26Å
59S74.9Confident73.4Confident62 Ų6280 Ų8043%0.43444%0.438SS..Hα-helixtrans-60.2-41.5177.3-59.50000111.3I55 I56 C63I55-S59 WeakPolarHBondContact O-CB 3.31Å; I55-S59 PolarHBondContact O-N 3.31Å; I55-S59 PolarHBondContact O-OG 3.07Å; I56-S59 PolarHBondContact O-N 3.42Å; S59-C63 VanDerWaalsContact O-CB 3.31Å; S59-C63 WeakPolarHBondContact O-CB 3.47Å; S59-C63 PolarHBondContact O-N 2.87Å
60N73.1Confident72.8Confident98 Ų9881.8 Ų81.852%0.52445%0.45SS..Hα-helixtrans-66.1-42.2175.6-71.6-18.8000112.1I56 T57 L58 C63 V64I56-N60 PolarHBondContact O-N 3.26Å; T57-N60 PolarHBondContact O-N 3.43Å; L58-N60 VanDerWaalsContact C-N 3.29Å; L58-N60 PolarHBondContact O-N 3.03Å; N60-C63 WeakPolarHBondContact O-CB 3.37Å; N60-C63 PolarHBondContact O-N 2.83Å; N60-V64 WeakPolarHBondContact O-CG2 3.28Å; N60-V64 PolarHBondContact O-N 2.69Å
61Q77.2Confident72Confident105 Ų10588 Ų8849%0.49148%0.477SS..Hα-helixtrans-63.8-42.3176.7-75177.5-2500112.3T57 L58 C63 V64 C65T57-Q61 WeakPolarHBondContact O-CG 3.25Å; T57-Q61 PolarHBondContact O-N 2.93Å; L58-Q61 PolarHBondContact O-N 3.04Å; Q61-C63 VanDerWaalsContact C-N 3.34Å; Q61-V64 PolarHBondContact O-N 3.44Å; Q61-C65 VanDerWaalsContact O-CB 3.23Å; Q61-C65 WeakPolarHBondContact O-CB 3.41Å; Q61-C65 PolarHBondContact O-N 2.94Å
62I77.8Confident70.9Confident79 Ų7995.4 Ų95.441%0.40551%0.514SS..Hα-helixtrans-63.5-43.3174.9-67.6167.8000110.2L58 C65 N66L58-I62 HydrophobicContact CD1-CD1 4.21Å; L58-I62 HydrophobicContact CD1-CG1 4.44Å; L58-I62 HydrophobicContact CG-CD1 3.96Å; L58-I62 WeakPolarHBondContact O-CG1 3.16Å; L58-I62 PolarHBondContact O-N 3.26Å; I62-C65 PolarHBondContact O-N 3.15Å; I62-N66 WeakPolarHBondContact O-CB 3.11Å; I62-N66 PolarHBondContact O-N 2.86Å; I62-N66 PolarHBondContact O-ND2 3.12Å
63C73.6Confident70.6Confident70 Ų7095.2 Ų95.247%0.47351%0.513SS..Hα-helixtrans-59.2-51.9176.1-174.20000111.2S59 N60 Q61 C65 N66 C67S59-C63 VanDerWaalsContact O-CB 3.31Å; S59-C63 WeakPolarHBondContact O-CB 3.47Å; S59-C63 PolarHBondContact O-N 2.87Å; N60-C63 WeakPolarHBondContact O-CB 3.37Å; N60-C63 PolarHBondContact O-N 2.83Å; Q61-C63 VanDerWaalsContact C-N 3.34Å; C63-C65 VanDerWaalsContact C-N 3.35Å; C63-C65 PolarHBondContact O-N 3.05Å; C63-N66 PolarHBondContact O-N 2.93Å; C63-C67 WeakPolarHBondContact O-CB 3.34Å; C63-C67 PolarHBondContact O-N 3.28Å; C63-C67 PolarHBondContact O-SG 2.61Å
64V72Confident70.2Confident93 Ų9395.4 Ų95.456%0.56452%0.515SS*.Hα-helixtrans-59.2-45.1177.1171.50000111.1N60 Q61 N66 C67 S68N60-V64 WeakPolarHBondContact O-CG2 3.28Å; N60-V64 PolarHBondContact O-N 2.69Å; Q61-V64 PolarHBondContact O-N 3.44Å; V64-N66 PolarHBondContact O-N 3.08Å; V64-C67 PolarHBondContact O-N 3.37Å; V64-S68 WeakPolarHBondContact O-CB 3.46Å; V64-S68 PolarHBondContact O-N 3.16Å; V64-S68 PolarHBondContact O-OG 3Å; V64-S68 VanDerWaalsContact O-OG 3.1Å
65C73.7Confident70.1Confident66 Ų6697.3 Ų97.345%0.44653%0.525SS..Hα-helixtrans-60.5-46.1177.8-174.90000111.7Q61 I62 C63 S68 R69Q61-C65 VanDerWaalsContact O-CB 3.23Å; Q61-C65 WeakPolarHBondContact O-CB 3.41Å; Q61-C65 PolarHBondContact O-N 2.94Å; I62-C65 PolarHBondContact O-N 3.15Å; C63-C65 VanDerWaalsContact C-N 3.35Å; C63-C65 PolarHBondContact O-N 3.05Å; C65-S68 PolarHBondContact O-N 2.9Å; C65-R69 WeakPolarHBondContact O-CB 3.18Å; C65-R69 VanDerWaalsContact O-CG 3.23Å; C65-R69 WeakPolarHBondContact O-CG 3.17Å; C65-R69 PolarHBondContact O-N 2.84Å
66N66.3Low69.8Low84 Ų8497.5 Ų97.545%0.44953%0.528SS..Hα-helixtrans-67.1-40177.4-73.6-18.6000112.1I62 C63 V64 R69 T70I62-N66 WeakPolarHBondContact O-CB 3.11Å; I62-N66 PolarHBondContact O-N 2.86Å; I62-N66 PolarHBondContact O-ND2 3.12Å; C63-N66 PolarHBondContact O-N 2.93Å; V64-N66 PolarHBondContact O-N 3.08Å; N66-R69 PolarHBondContact O-N 3.04Å; N66-T70 WeakPolarHBondContact O-CB 3.5Å; N66-T70 PolarHBondContact O-N 2.69Å; N66-T70 PolarHBondContact O-OG1 3.4Å
67C71.9Confident69.2Low61 Ų6198.6 Ų98.641%0.41254%0.536SS..Hα-helixtrans-60.5-51.6173.6-71.80000110.6C63 V64 R69 T70 F71C63-C67 WeakPolarHBondContact O-CB 3.34Å; C63-C67 PolarHBondContact O-N 3.28Å; C63-C67 PolarHBondContact O-SG 2.61Å; V64-C67 PolarHBondContact O-N 3.37Å; C67-R69 VanDerWaalsContact C-N 3.31Å; C67-R69 PolarHBondContact O-N 2.6Å; C67-T70 WeakPolarHBondContact O-CB 3.31Å; C67-T70 PolarHBondContact O-N 3.33Å; C67-F71 WeakPolarHBondContact O-CD2 3.22Å; C67-F71 PolarHBondContact O-N 3.24Å
68S71.3Confident68.7Low67 Ų67100.4 Ų100.447%0.46954%0.542SS..Hα-helixtrans-59.4-39.2176.9-63.70000112.8V64 C65 T70 F71 L72V64-S68 WeakPolarHBondContact O-CB 3.46Å; V64-S68 PolarHBondContact O-N 3.16Å; V64-S68 PolarHBondContact O-OG 3Å; V64-S68 VanDerWaalsContact O-OG 3.1Å; C65-S68 PolarHBondContact O-N 2.9Å; S68-T70 VanDerWaalsContact C-N 3.29Å; S68-T70 PolarHBondContact O-N 2.92Å; S68-F71 PolarHBondContact O-N 2.91Å; S68-L72 PolarHBondContact O-N 2.8Å
69R63.7Low68.2Low175 Ų175105.4 Ų105.466%0.6657%0.569SS**Hα-helixtrans-68.5-25.2174.6-73.5179.781.8160.39.4113.5C65 N66 C67 F71C65-R69 WeakPolarHBondContact O-CB 3.18Å; C65-R69 VanDerWaalsContact O-CG 3.23Å; C65-R69 WeakPolarHBondContact O-CG 3.17Å; C65-R69 PolarHBondContact O-N 2.84Å; N66-R69 PolarHBondContact O-N 3.04Å; C67-R69 VanDerWaalsContact C-N 3.31Å; C67-R69 PolarHBondContact O-N 2.6Å; R69-F71 VanDerWaalsContact C-N 3.34Å
70T59.2Low67.7Low118 Ų118108.7 Ų108.772%0.72458%0.58SS**Hα-helixtrans-78.9-22.7176.1-52.40000111.6N66 C67 S68N66-T70 WeakPolarHBondContact O-CB 3.5Å; N66-T70 PolarHBondContact O-N 2.69Å; N66-T70 PolarHBondContact O-OG1 3.4Å; C67-T70 WeakPolarHBondContact O-CB 3.31Å; C67-T70 PolarHBondContact O-N 3.33Å; S68-T70 VanDerWaalsContact C-N 3.29Å; S68-T70 PolarHBondContact O-N 2.92Å
71F53.5Low67.3Low190 Ų190109.6 Ų109.683%0.83358%0.584SS**  trans-88.7-8.2175.5-74.7-71.8000114.3C67 S68 R69C67-F71 WeakPolarHBondContact O-CD2 3.22Å; C67-F71 PolarHBondContact O-N 3.24Å; S68-F71 PolarHBondContact O-N 2.91Å; R69-F71 VanDerWaalsContact C-N 3.34Å
72L46.8Very low66.3Low207 Ų207110 Ų110100%1.08459%0.593SS**  trans-99.60174.3-85.9163.7000110.8S68S68-L72 PolarHBondContact O-N 2.8Å

Retrieved 72 of 72 residues in 18.5 ms (Link to these results)

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