A0A087X5H7_POEFO Loading...

Tetraspanin 13a

AlphaFold DB , UniProt , Accession A0A087X5H7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 204 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
1M48.8Very low75.4Confident235 Ų23576.9 Ų76.9100%1.15846%0.458SS*.  01.90-91.6162.8168.900115.2
2V50.6Low76.9Confident118 Ų11873.7 Ų73.772%0.71545%0.446SS*.Hα-helixtrans-73.2-32.7-175.1-167.90000113.5G4 G5 F6V2-G4 PolarHBondContact O-N 3.3Å; V2-G5 PolarHBondContact O-N 3.34Å; V2-F6 PolarHBondContact O-N 2.99Å
3C56.6Low78.2Confident73 Ų7368 Ų6849%0.49341%0.412SS..Hα-helixtrans-64.1-36.4178.3-990000114.2I7C3-I7 WeakPolarHBondContact O-CG1 3.37Å; C3-I7 PolarHBondContact O-N 3.2Å
4G69.2Low79.3Confident49 Ų4964.3 Ų64.351%0.50539%0.39SS..Hα-helixtrans-67.5-38.4-178.400000112.5V2 C8V2-G4 PolarHBondContact O-N 3.3Å; G4-C8 WeakPolarHBondContact O-CB 3.12Å; G4-C8 PolarHBondContact O-N 2.96Å
5G78.6Confident80.4Confident29 Ų2963.7 Ų63.730%0.29939%0.394SS..Hα-helixtrans-67.5-39.7178.100000113.2V2 T9V2-G5 PolarHBondContact O-N 3.34Å; G5-T9 WeakPolarHBondContact O-CB 3.46Å; G5-T9 PolarHBondContact O-N 3.42Å; G5-T9 PolarHBondContact O-OG1 3.43Å
6F83.1Confident81.2Confident14 Ų1461.6 Ų61.66%0.06138%0.38CS..Hα-helixtrans-64.7-50.2178.2-176.4-92.8000112.1V2 T9 K10 H70 Y190 L193 D195 P196V2-F6 PolarHBondContact O-N 2.99Å; F6-T9 PolarHBondContact O-N 3.14Å; F6-K10 VanDerWaalsContact O-CB 3.31Å; F6-K10 WeakPolarHBondContact O-CB 3.32Å; F6-K10 PolarHBondContact O-N 3.33Å; F6-H70 AromaticContact CE2-CE1 3.68Å; F6-H70 AromaticContact CE2-ND1 3.84Å; F6-H70 AromaticContact CZ-ND1 3.96Å; F6-Y190 HydrophobicContact CD2-CD2 4.32Å; F6-Y190 AromaticContact CD2-CE2 3.87Å; F6-Y190 HydrophobicContact CD2-CE2 3.87Å; F6-Y190 HydrophobicContact CE1-CE2 4.24Å; F6-Y190 HydrophobicContact CE2-CD2 4.25Å; F6-Y190 AromaticContact CE2-CE2 3.52Å; F6-Y190 HydrophobicContact CE2-CE2 3.52Å; F6-Y190 HydrophobicContact CG-CE2 4.38Å; F6-Y190 AromaticContact CZ-CE2 3.73Å; F6-Y190 HydrophobicContact CZ-CE2 3.73Å; F6-L193 HydrophobicContact CB-CD1 4.44Å; F6-L193 HydrophobicContact CD2-CB 3.82Å; F6-L193 HydrophobicContact CD2-CD1 4.43Å; F6-L193 HydrophobicContact CE2-CB 4.5Å; F6-D195 HydrophobicContact CE2-CB 4.3Å; F6-D195 HydrophobicContact CZ-CB 4.12Å; F6-P196 HydrophobicContact CD1-CG 4.26Å; F6-P196 HydrophobicContact CG-CG 4.47Å
7I85.7Confident82.1Confident89 Ų8958 Ų5846%0.45636%0.358SS..Hα-helixtrans-65.8-43.8-179.2-62.9166.7000110.8C3 T9 K10 N11C3-I7 WeakPolarHBondContact O-CG1 3.37Å; C3-I7 PolarHBondContact O-N 3.2Å; I7-T9 PolarHBondContact O-N 2.92Å; I7-K10 PolarHBondContact O-N 3.25Å; I7-N11 WeakPolarHBondContact O-CB 3.42Å; I7-N11 VanDerWaalsContact O-CG 3.25Å; I7-N11 PolarHBondContact O-N 3.26Å; I7-N11 PolarHBondContact O-OD1 2.04Å
8C86.9Confident82.9Confident85 Ų8558.9 Ų58.957%0.57436%0.363SS*.Hα-helixtrans-60.4-47177.6-177.20000111.4G4 N11 A12G4-C8 WeakPolarHBondContact O-CB 3.12Å; G4-C8 PolarHBondContact O-N 2.96Å; C8-N11 PolarHBondContact O-N 2.89Å; C8-A12 VanDerWaalsContact O-CB 3.28Å; C8-A12 WeakPolarHBondContact O-CB 2.89Å; C8-A12 PolarHBondContact O-N 3.06Å
9T88.4Confident83.5Confident5 Ų560.1 Ų60.13%0.03137%0.37CS..Hα-helixtrans-66.9-40.2179.7-46.40000111.5G5 F6 I7 A12 L13 L186 Y190G5-T9 WeakPolarHBondContact O-CB 3.46Å; G5-T9 PolarHBondContact O-N 3.42Å; G5-T9 PolarHBondContact O-OG1 3.43Å; F6-T9 PolarHBondContact O-N 3.14Å; I7-T9 PolarHBondContact O-N 2.92Å; T9-A12 PolarHBondContact O-N 3.39Å; T9-L13 VanDerWaalsContact O-CB 3.28Å; T9-L13 WeakPolarHBondContact O-CB 3.39Å; T9-L13 PolarHBondContact O-N 3.18Å; T9-L186 HydrophobicContact CG2-CD2 4.08Å; T9-Y190 HydrophobicContact CG2-CD2 4.3Å; T9-Y190 HydrophobicContact CG2-CG 4.33Å
10K90.6Very high84Confident53 Ų5358.2 Ų58.223%0.2336%0.356CS..Hα-helixtrans-58.9-48.3174178.9175.1179.5162.90111.9F6 I7 S14 A67 L68 Y190F6-K10 VanDerWaalsContact O-CB 3.31Å; F6-K10 WeakPolarHBondContact O-CB 3.32Å; F6-K10 PolarHBondContact O-N 3.33Å; I7-K10 PolarHBondContact O-N 3.25Å; K10-S14 WeakPolarHBondContact O-CB 3.33Å; K10-S14 PolarHBondContact O-N 3.12Å; K10-S14 PolarHBondContact O-OG 3.19Å; K10-A67 WeakPolarHBondContact CE-O 3.28Å; K10-L68 PolarHBondContact NZ-O 3.21Å; K10-Y190 HydrophobicContact CB-CD2 4.5Å; K10-Y190 HydrophobicContact CB-CE2 3.69Å; K10-Y190 HydrophobicContact CG-CE2 4.38Å
11N91.6Very high84.7Confident96 Ų9657.2 Ų57.251%0.51335%0.349SS..Hα-helixtrans-68.5-41.6-178.3-71.21.8000111.2I7 C8 S14 A15I7-N11 WeakPolarHBondContact O-CB 3.42Å; I7-N11 VanDerWaalsContact O-CG 3.25Å; I7-N11 PolarHBondContact O-N 3.26Å; I7-N11 PolarHBondContact O-OD1 2.04Å; C8-N11 PolarHBondContact O-N 2.89Å; N11-S14 PolarHBondContact O-N 3.03Å; N11-A15 VanDerWaalsContact O-CB 3.25Å; N11-A15 WeakPolarHBondContact O-CB 3.46Å; N11-A15 PolarHBondContact O-N 2.6Å
12A92.9Very high86.9Confident38 Ų3851.2 Ų51.231%0.31432%0.32SS..Hα-helixtrans-61.7-46.3175.600000111.7C8 T9 S14 A15 L16 L186C8-A12 VanDerWaalsContact O-CB 3.28Å; C8-A12 WeakPolarHBondContact O-CB 2.89Å; C8-A12 PolarHBondContact O-N 3.06Å; T9-A12 PolarHBondContact O-N 3.39Å; A12-S14 VanDerWaalsContact C-N 3.35Å; A12-S14 PolarHBondContact O-N 3.47Å; A12-A15 PolarHBondContact O-N 2.8Å; A12-L16 WeakPolarHBondContact O-CB 3.32Å; A12-L16 PolarHBondContact O-N 3.38Å; A12-L186 HydrophobicContact CB-CD1 4.41Å
13L93.3Very high89Confident0 Ų047.6 Ų47.60%030%0.298CS..Hα-helixtrans-65-39.4177.5-172.564.4000111.8T9 N17 A67 Y78 L186 T187 Y190T9-L13 VanDerWaalsContact O-CB 3.28Å; T9-L13 WeakPolarHBondContact O-CB 3.39Å; T9-L13 PolarHBondContact O-N 3.18Å; L13-N17 PolarHBondContact O-N 3.07Å; L13-N17 VanDerWaalsContact O-N 3.14Å; L13-N17 PolarHBondContact O-ND2 3.47Å; L13-A67 HydrophobicContact CB-CB 4.45Å; L13-A67 HydrophobicContact CD2-CB 3.99Å; L13-A67 HydrophobicContact CG-CB 4.16Å; L13-Y78 HydrophobicContact CD1-CE1 4Å; L13-L186 HydrophobicContact CD1-CB 4.4Å; L13-T187 WeakPolarHBondContact CD1-OG1 3.31Å; L13-Y190 HydrophobicContact CD2-CD1 3.83Å; L13-Y190 HydrophobicContact CD2-CE1 4.49Å; L13-Y190 HydrophobicContact CD2-CG 4.49Å
14S94.4Very high90.9Very high16 Ų1644.1 Ų44.111%0.11227%0.274CS..Hα-helixtrans-66.2-44.3175.8-57.40000111.3K10 N11 A12 L16 N17 V18 A67K10-S14 WeakPolarHBondContact O-CB 3.33Å; K10-S14 PolarHBondContact O-N 3.12Å; K10-S14 PolarHBondContact O-OG 3.19Å; N11-S14 PolarHBondContact O-N 3.03Å; A12-S14 VanDerWaalsContact C-N 3.35Å; A12-S14 PolarHBondContact O-N 3.47Å; S14-L16 PolarHBondContact O-N 3.31Å; S14-N17 PolarHBondContact O-N 3.25Å; S14-V18 WeakPolarHBondContact O-CG2 3.45Å; S14-V18 PolarHBondContact O-N 3.45Å; S14-A67 WeakPolarHBondContact OG-CB 2.97Å
15A95.1Very high92.3Very high55 Ų5546.2 Ų46.246%0.45527%0.273SS..Hα-helixtrans-61.7-44177.700000111.7N11 A12 N17 V18 V19N11-A15 VanDerWaalsContact O-CB 3.25Å; N11-A15 WeakPolarHBondContact O-CB 3.46Å; N11-A15 PolarHBondContact O-N 2.6Å; A12-A15 PolarHBondContact O-N 2.8Å; A15-N17 VanDerWaalsContact C-N 3.34Å; A15-N17 PolarHBondContact O-N 3.18Å; A15-V18 PolarHBondContact O-N 3.11Å; A15-V19 WeakPolarHBondContact O-CG2 3.39Å; A15-V19 PolarHBondContact O-N 3.43Å
16L93.7Very high93.1Very high31 Ų3150 Ų5016%0.16229%0.286CS..Hα-helixtrans-58.4-45.2175.7-178.6147.8000111.5A12 S14 V19 Y20 Y78 L186A12-L16 WeakPolarHBondContact O-CB 3.32Å; A12-L16 PolarHBondContact O-N 3.38Å; S14-L16 PolarHBondContact O-N 3.31Å; L16-V19 PolarHBondContact O-N 2.88Å; L16-Y20 HydrophobicContact CD2-CD2 3.84Å; L16-Y20 HydrophobicContact CD2-CE2 3.34Å; L16-Y20 HydrophobicContact CG-CE2 4.23Å; L16-Y20 PolarHBondContact O-N 3.16Å; L16-Y78 WeakPolarHBondContact CD2-OH 2.94Å; L16-L186 HydrophobicContact CD1-CD1 4.5Å
17N95.6Very high93.6Very high0 Ų052.2 Ų52.20%030%0.298CS..Hα-helixtrans-68.7-35.6177.1-78.4-77.4000113L13 S14 A15 V19 Y20 V21 A60 G63 L64 Y78L13-N17 PolarHBondContact O-N 3.07Å; L13-N17 VanDerWaalsContact O-N 3.14Å; L13-N17 PolarHBondContact O-ND2 3.47Å; S14-N17 PolarHBondContact O-N 3.25Å; A15-N17 VanDerWaalsContact C-N 3.34Å; A15-N17 PolarHBondContact O-N 3.18Å; N17-V19 VanDerWaalsContact C-N 3.32Å; N17-V19 PolarHBondContact O-N 3.3Å; N17-Y20 PolarHBondContact O-N 3.03Å; N17-V21 WeakPolarHBondContact O-CG2 3.21Å; N17-V21 PolarHBondContact O-N 3.37Å; N17-A60 WeakPolarHBondContact OD1-CA 3.03Å; N17-A60 PolarHBondContact OD1-O 3.17Å; N17-G63 WeakPolarHBondContact OD1-CA 3.44Å; N17-L64 HydrophobicContact CB-CB 4.13Å; N17-Y78 PolarHBondContact ND2-OH 3.39Å; N17-Y78 WeakPolarHBondContact OD1-CE2 3.3Å; N17-Y78 PolarHBondContact OD1-OH 3.32Å; N17-Y78 VanDerWaalsContact OD1-OH 3.11Å
18V96.4Very high94.1Very high74 Ų7450 Ų5045%0.44829%0.287SS..Hα-helixtrans-62-41.6173.2168.90000110.8S14 A15 Y20 V21 M22 L64S14-V18 WeakPolarHBondContact O-CG2 3.45Å; S14-V18 PolarHBondContact O-N 3.45Å; A15-V18 PolarHBondContact O-N 3.11Å; V18-Y20 VanDerWaalsContact C-N 3.33Å; V18-Y20 PolarHBondContact O-N 3.37Å; V18-V21 PolarHBondContact O-N 2.04Å; V18-M22 WeakPolarHBondContact O-CG 3.48Å; V18-M22 PolarHBondContact O-N 2.98Å; V18-L64 HydrophobicContact CG2-CD1 4.3Å
19V94.8Very high94.5Very high82 Ų8247.7 Ų47.750%0.49728%0.278SS..Hα-helixtrans-60.6-43.6173.9171.80000110.8A15 L16 N17 V21 M22 V23A15-V19 WeakPolarHBondContact O-CG2 3.39Å; A15-V19 PolarHBondContact O-N 3.43Å; L16-V19 PolarHBondContact O-N 2.88Å; N17-V19 VanDerWaalsContact C-N 3.32Å; N17-V19 PolarHBondContact O-N 3.3Å; V19-V21 PolarHBondContact O-N 2.84Å; V19-M22 PolarHBondContact O-N 2.91Å; V19-V23 HydrophobicContact CG1-CG2 4.4Å; V19-V23 WeakPolarHBondContact O-CG2 3.42Å; V19-V23 PolarHBondContact O-N 2.03Å
20Y94.8Very high94.7Very high22 Ų2251.9 Ų51.99%0.08630%0.304CS..Hα-helixtrans-63.7-37176.3-68.6-12.9000113.4L16 N17 V18 V23 S24 L82 T179L16-Y20 HydrophobicContact CD2-CD2 3.84Å; L16-Y20 HydrophobicContact CD2-CE2 3.34Å; L16-Y20 HydrophobicContact CG-CE2 4.23Å; L16-Y20 PolarHBondContact O-N 3.16Å; N17-Y20 PolarHBondContact O-N 3.03Å; V18-Y20 VanDerWaalsContact C-N 3.33Å; V18-Y20 PolarHBondContact O-N 3.37Å; Y20-V23 PolarHBondContact O-N 2.94Å; Y20-S24 VanDerWaalsContact O-CB 3.27Å; Y20-S24 WeakPolarHBondContact O-CB 3.36Å; Y20-S24 PolarHBondContact O-N 3.44Å; Y20-L82 HydrophobicContact CE2-CD2 4.47Å; Y20-T179 PolarHBondContact OH-OG1 3.07Å; Y20-T179 VanDerWaalsContact OH-OG1 3.09Å
21V97.1Very high94.7Very high37 Ų3750 Ų5022%0.22430%0.297CS..Hα-helixtrans-60-46.9171.2171.60000110.6N17 V18 V19 V23 S24 L25 L57 A60N17-V21 WeakPolarHBondContact O-CG2 3.21Å; N17-V21 PolarHBondContact O-N 3.37Å; V18-V21 PolarHBondContact O-N 2.04Å; V19-V21 PolarHBondContact O-N 2.84Å; V21-V23 PolarHBondContact O-N 2.96Å; V21-S24 PolarHBondContact O-N 2.99Å; V21-L25 HydrophobicContact CG1-CD1 3.98Å; V21-L25 HydrophobicContact CG1-CG 4.37Å; V21-L25 WeakPolarHBondContact O-CG 3.34Å; V21-L25 PolarHBondContact O-N 3.35Å; V21-L57 HydrophobicContact CB-CD1 4.47Å; V21-L57 HydrophobicContact CG1-CD1 4.01Å; V21-L57 HydrophobicContact CG2-CD1 4.32Å; V21-A60 HydrophobicContact CG2-CB 3.69Å
22M96.2Very high94.7Very high110 Ų11047.7 Ų47.754%0.54229%0.292SS..Hα-helixtrans-61.5-46.2179.2-67-58.6-64.500111.9V18 V19 S24 L25 L26V18-M22 WeakPolarHBondContact O-CG 3.48Å; V18-M22 PolarHBondContact O-N 2.98Å; V19-M22 PolarHBondContact O-N 2.91Å; M22-S24 VanDerWaalsContact C-N 3.34Å; M22-S24 PolarHBondContact O-N 3.47Å; M22-L25 PolarHBondContact O-N 3.42Å; M22-L26 WeakPolarHBondContact O-CB 3.36Å; M22-L26 VanDerWaalsContact O-CG 3.27Å; M22-L26 WeakPolarHBondContact O-CG 3.39Å; M22-L26 PolarHBondContact O-N 3.1Å
23V94.6Very high94.7Very high41 Ų4153.5 Ų53.525%0.24831%0.306CS..Hα-helixtrans-61.1-43.8177.1172.30000111V19 Y20 V21 L26 L27V19-V23 HydrophobicContact CG1-CG2 4.4Å; V19-V23 WeakPolarHBondContact O-CG2 3.42Å; V19-V23 PolarHBondContact O-N 2.03Å; Y20-V23 PolarHBondContact O-N 2.94Å; V21-V23 PolarHBondContact O-N 2.96Å; V23-L26 PolarHBondContact O-N 2.78Å; V23-L27 HydrophobicContact CG1-CD1 4.1Å; V23-L27 HydrophobicContact CG1-CG 4.43Å; V23-L27 WeakPolarHBondContact O-CG 3.13Å; V23-L27 PolarHBondContact O-N 3.26Å
24S96.6Very high94.5Very high0 Ų054 Ų540%031%0.311CS..Hα-helixtrans-60.6-48.6177.51650000112.6Y20 V21 M22 L26 L27 I28 G53 L57Y20-S24 VanDerWaalsContact O-CB 3.27Å; Y20-S24 WeakPolarHBondContact O-CB 3.36Å; Y20-S24 PolarHBondContact O-N 3.44Å; V21-S24 PolarHBondContact O-N 2.99Å; M22-S24 VanDerWaalsContact C-N 3.34Å; M22-S24 PolarHBondContact O-N 3.47Å; S24-L26 VanDerWaalsContact C-N 3.29Å; S24-L26 PolarHBondContact O-N 3.3Å; S24-L27 PolarHBondContact O-N 2.97Å; S24-I28 WeakPolarHBondContact O-CG1 3.12Å; S24-I28 PolarHBondContact O-N 3.46Å; S24-G53 WeakPolarHBondContact CB-O 3.32Å; S24-G53 PolarHBondContact OG-O 3.07Å; S24-L57 VanDerWaalsContact OG-CB 3.27Å; S24-L57 WeakPolarHBondContact OG-CB 3.44Å; S24-L57 PolarHBondContact OG-N 3.42Å
25L96.9Very high94.1Very high93 Ų9357.5 Ų57.549%0.48732%0.324SS..Hα-helixtrans-62.8-37.6178.4-68.4175.8000111.7V21 M22 G29 L57V21-L25 HydrophobicContact CG1-CD1 3.98Å; V21-L25 HydrophobicContact CG1-CG 4.37Å; V21-L25 WeakPolarHBondContact O-CG 3.34Å; V21-L25 PolarHBondContact O-N 3.35Å; M22-L25 PolarHBondContact O-N 3.42Å; L25-G29 PolarHBondContact O-N 2.85Å; L25-L57 HydrophobicContact CD2-CD1 4.49Å
26L96.2Very high93.6Very high109 Ų10965.3 Ų65.357%0.57134%0.342SS*.Hα-helixtrans-63.6-45.4173.7-73.6170.5000111.8M22 V23 S24 G29 V30M22-L26 WeakPolarHBondContact O-CB 3.36Å; M22-L26 VanDerWaalsContact O-CG 3.27Å; M22-L26 WeakPolarHBondContact O-CG 3.39Å; M22-L26 PolarHBondContact O-N 3.1Å; V23-L26 PolarHBondContact O-N 2.78Å; S24-L26 VanDerWaalsContact C-N 3.29Å; S24-L26 PolarHBondContact O-N 3.3Å; L26-G29 PolarHBondContact O-N 3.02Å; L26-V30 WeakPolarHBondContact O-CB 3.46Å; L26-V30 VanDerWaalsContact O-CG2 3.3Å; L26-V30 WeakPolarHBondContact O-CG2 3.03Å; L26-V30 PolarHBondContact O-N 3.29Å
27L93.9Very high93.3Very high60 Ų6069.8 Ų69.831%0.31436%0.36SS..Hα-helixtrans-60.7-47.1177.8-73.6172.2000111.9V23 S24 A31 V49 L56V23-L27 HydrophobicContact CG1-CD1 4.1Å; V23-L27 HydrophobicContact CG1-CG 4.43Å; V23-L27 WeakPolarHBondContact O-CG 3.13Å; V23-L27 PolarHBondContact O-N 3.26Å; S24-L27 PolarHBondContact O-N 2.97Å; L27-A31 VanDerWaalsContact O-CB 3.24Å; L27-A31 WeakPolarHBondContact O-CB 3.46Å; L27-A31 PolarHBondContact O-N 3.16Å; L27-A31 VanDerWaalsContact O-N 3.09Å; L27-V49 HydrophobicContact CD2-CG1 4.42Å; L27-L56 HydrophobicContact CD1-CD1 3.98Å
28I95.9Very high92.5Very high42 Ų4272.4 Ų72.422%0.21539%0.388CS..Hα-helixtrans-63.7-46.7177.8-63.5167.5000110.1S24 A31 A32 V54S24-I28 WeakPolarHBondContact O-CG1 3.12Å; S24-I28 PolarHBondContact O-N 3.46Å; I28-A31 PolarHBondContact O-N 2.83Å; I28-A32 VanDerWaalsContact O-CB 3.26Å; I28-A32 WeakPolarHBondContact O-CB 3.41Å; I28-A32 PolarHBondContact O-N 2.9Å; I28-V54 HydrophobicContact CD1-CG2 3.95Å; I28-V54 HydrophobicContact CG1-CG2 4.47Å
29G94.7Very high91.3Very high38 Ų3875.5 Ų75.539%0.39240%0.401SS..Hα-helixtrans-61.6-49.3-178.400000112.8L25 L26 W33L25-G29 PolarHBondContact O-N 2.85Å; L26-G29 PolarHBondContact O-N 3.02Å; G29-W33 WeakPolarHBondContact O-CB 3.48Å; G29-W33 PolarHBondContact O-N 3.38Å
30V93.6Very high90.1Very high93 Ų9374.2 Ų74.256%0.56439%0.393SS*.Hα-helixtrans-65.5-41.8179.6172.80000111.3L26 W33 G34L26-V30 WeakPolarHBondContact O-CB 3.46Å; L26-V30 VanDerWaalsContact O-CG2 3.3Å; L26-V30 WeakPolarHBondContact O-CG2 3.03Å; L26-V30 PolarHBondContact O-N 3.29Å; V30-W33 PolarHBondContact O-N 3.05Å; V30-G34 PolarHBondContact O-N 3.13Å
31A91.3Very high88.7Confident12 Ų1276.2 Ų76.210%0.09941%0.411CS..Hα-helixtrans-66-44.7178.800000112.2L27 I28 G34 K35 V46 V49 I50L27-A31 VanDerWaalsContact O-CB 3.24Å; L27-A31 WeakPolarHBondContact O-CB 3.46Å; L27-A31 PolarHBondContact O-N 3.16Å; L27-A31 VanDerWaalsContact O-N 3.09Å; I28-A31 PolarHBondContact O-N 2.83Å; A31-G34 PolarHBondContact O-N 3.26Å; A31-K35 PolarHBondContact O-N 3.4Å; A31-K35 VanDerWaalsContact O-N 3.09Å; A31-V46 HydrophobicContact CB-CG1 4.43Å; A31-V49 HydrophobicContact CB-CB 4.18Å; A31-V49 HydrophobicContact CB-CG1 3.83Å; A31-I50 HydrophobicContact CB-CD1 4.36Å; A31-I50 HydrophobicContact CB-CG1 3.68Å
32A91.3Very high87.6Confident49 Ų4976.1 Ų76.141%0.40541%0.411SS..Hα-helixtrans-63.9-43.2176.200000111.6I28 K35 W36I28-A32 VanDerWaalsContact O-CB 3.26Å; I28-A32 WeakPolarHBondContact O-CB 3.41Å; I28-A32 PolarHBondContact O-N 2.9Å; A32-K35 PolarHBondContact O-N 3.32Å; A32-W36 PolarHBondContact O-N 3.42Å
33W92.1Very high86.9Confident159 Ų15976.5 Ų76.560%0.60241%0.414SS*.Hα-helixtrans-61.9-47.7176.2-176.170000111.8G29 V30 K35 W36 F37G29-W33 WeakPolarHBondContact O-CB 3.48Å; G29-W33 PolarHBondContact O-N 3.38Å; V30-W33 PolarHBondContact O-N 3.05Å; W33-K35 VanDerWaalsContact C-N 3.3Å; W33-K35 PolarHBondContact O-N 3.09Å; W33-W36 WeakPolarHBondContact O-CB 3.4Å; W33-W36 PolarHBondContact O-N 3.49Å; W33-W36 VanDerWaalsContact O-N 3.13Å; W33-F37 AromaticContact CD1-CD2 3.73Å; W33-F37 AromaticContact CD1-CE2 3.46Å; W33-F37 VanDerWaalsContact CD1-CE2 3.46Å; W33-F37 HydrophobicContact CD2-CD2 4.32Å; W33-F37 AromaticContact CE2-CD2 3.83Å; W33-F37 AromaticContact CE2-CE2 3.75Å; W33-F37 HydrophobicContact CG-CD2 4.25Å; W33-F37 HydrophobicContact CG-CE2 4.38Å; W33-F37 HydrophobicContact CZ2-CD2 4.4Å; W33-F37 HydrophobicContact CZ2-CE2 4.35Å; W33-F37 AromaticContact NE1-CD2 3.47Å; W33-F37 AromaticContact NE1-CE2 3.01Å; W33-F37 AromaticContact NE1-CZ 3.88Å; W33-F37 WeakPolarHBondContact O-CD2 3.3Å; W33-F37 PolarHBondContact O-N 3.23Å; W33-F37 VanDerWaalsContact O-N 3.16Å
34G88.6Confident86.4Confident10 Ų1078.9 Ų78.910%0.10343%0.433CS..Hα-helixtrans-60.8-36178.200000113.5V30 A31 G38 L39V30-G34 PolarHBondContact O-N 3.13Å; A31-G34 PolarHBondContact O-N 3.26Å; G34-G38 PolarHBondContact O-N 3.39Å; G34-L39 PolarHBondContact O-N 3.01Å; G34-L39 VanDerWaalsContact O-N 3.11Å
35K86.1Confident85.8Confident90 Ų9082.9 Ų82.939%0.39146%0.457SS..Hα-helixtrans-70-38.2174.8-176.568.7-16884.50112.6A31 A32 W33 G38 V46A31-K35 PolarHBondContact O-N 3.4Å; A31-K35 VanDerWaalsContact O-N 3.09Å; A32-K35 PolarHBondContact O-N 3.32Å; W33-K35 VanDerWaalsContact C-N 3.3Å; W33-K35 PolarHBondContact O-N 3.09Å; K35-G38 PolarHBondContact O-N 3.11Å; K35-V46 HydrophobicContact CB-CG1 3.98Å; K35-V46 HydrophobicContact CB-CG2 4.4Å; K35-V46 HydrophobicContact CD-CG2 4.26Å; K35-V46 HydrophobicContact CG-CG1 4.42Å
36W86Confident85.4Confident220 Ų22079.1 Ų79.183%0.83344%0.438SS*.Hα-helixtrans-63.3-42.3179.7-175.2-89.8000112A32 W33 G38A32-W36 PolarHBondContact O-N 3.42Å; W33-W36 WeakPolarHBondContact O-CB 3.4Å; W33-W36 PolarHBondContact O-N 3.49Å; W33-W36 VanDerWaalsContact O-N 3.13Å; W36-G38 PolarHBondContact O-N 2.67Å
37F85.9Confident85.2Confident124 Ų12476.7 Ų76.754%0.54443%0.433SS..THydrogen-bonded Turntrans-80.3-0.3177.8-78.4-89.7000114.2W33 L39W33-F37 AromaticContact CD1-CD2 3.73Å; W33-F37 AromaticContact CD1-CE2 3.46Å; W33-F37 VanDerWaalsContact CD1-CE2 3.46Å; W33-F37 HydrophobicContact CD2-CD2 4.32Å; W33-F37 AromaticContact CE2-CD2 3.83Å; W33-F37 AromaticContact CE2-CE2 3.75Å; W33-F37 HydrophobicContact CG-CD2 4.25Å; W33-F37 HydrophobicContact CG-CE2 4.38Å; W33-F37 HydrophobicContact CZ2-CD2 4.4Å; W33-F37 HydrophobicContact CZ2-CE2 4.35Å; W33-F37 AromaticContact NE1-CD2 3.47Å; W33-F37 AromaticContact NE1-CE2 3.01Å; W33-F37 AromaticContact NE1-CZ 3.88Å; W33-F37 WeakPolarHBondContact O-CD2 3.3Å; W33-F37 PolarHBondContact O-N 3.23Å; W33-F37 VanDerWaalsContact O-N 3.16Å; F37-L39 HydrophobicContact CB-CD1 3.88Å; F37-L39 PolarHBondContact O-N 2.93Å
38G78.4Confident85.1Confident56 Ų5676.7 Ų76.758%0.57744%0.442SS*.THydrogen-bonded Turntrans68.317-179.200000114.3G34 K35 W36 V40G34-G38 PolarHBondContact O-N 3.39Å; K35-G38 PolarHBondContact O-N 3.11Å; W36-G38 PolarHBondContact O-N 2.67Å; G38-V40 VanDerWaalsContact C-N 3.29Å; G38-V40 PolarHBondContact O-N 3.27Å
39L72.5Confident85Confident139 Ų13977.3 Ų77.373%0.72845%0.448SS*.  trans-70.2-27.8177.9-102.173.5000112.4G34 F37G34-L39 PolarHBondContact O-N 3.01Å; G34-L39 VanDerWaalsContact O-N 3.11Å; F37-L39 HydrophobicContact CB-CD1 3.88Å; F37-L39 PolarHBondContact O-N 2.93Å
40V68.8Low85Confident54 Ų5478 Ų7833%0.32744%0.442SS..  trans-114.3111.9178.4-173.20000109.3G38 V46G38-V40 VanDerWaalsContact C-N 3.29Å; G38-V40 PolarHBondContact O-N 3.27Å; V40-V46 HydrophobicContact CB-CG2 3.8Å; V40-V46 HydrophobicContact CG1-CG2 3.52Å
41S65.5Low85.1Confident65 Ų6575.5 Ų75.546%0.45544%0.435SS..  trans-74.6-35.8179.8-177.60000112.3I43 D121S41-I43 PolarHBondContact O-N 2.87Å; S41-D121 WeakPolarHBondContact CB-OD2 3.22Å; S41-D121 PolarHBondContact OG-OD2 2.85Å
42S74.4Confident85.3Confident34 Ų3478.8 Ų78.824%0.23845%0.454CS..  trans-79.6106.1-177.7-168.80000113S44 V45 V46S42-S44 PolarHBondContact O-N 3.47Å; S42-V45 PolarHBondContact O-N 2.87Å; S42-V46 PolarHBondContact O-N 3.39Å
43I80.5Confident85.6Confident118 Ų11876.5 Ų76.561%0.60543%0.434SS*.Hα-helixtrans-56.8-37.7173.4-62.9167.8000111.1S41 V45 V46 A47S41-I43 PolarHBondContact O-N 2.87Å; I43-V45 PolarHBondContact O-N 3.25Å; I43-V46 PolarHBondContact O-N 3.33Å; I43-A47 VanDerWaalsContact O-CB 3.29Å; I43-A47 WeakPolarHBondContact O-CB 3.49Å; I43-A47 PolarHBondContact O-N 3.29Å
44S84.7Confident85.8Confident91 Ų9172.1 Ų72.164%0.63643%0.425SS*.Hα-helixtrans-63.2-41.4-178.5-55.30000112.8S42 A48S42-S44 PolarHBondContact O-N 3.47Å; S44-A48 WeakPolarHBondContact O-CB 3.49Å; S44-A48 PolarHBondContact O-N 3.35Å
45V84.8Confident86.2Confident84 Ų8476 Ų7651%0.50944%0.439SS..Hα-helixtrans-67.8-45178.8178.10000110.3S42 I43 A47 A48 V49S42-V45 PolarHBondContact O-N 2.87Å; I43-V45 PolarHBondContact O-N 3.25Å; V45-A47 PolarHBondContact O-N 2.9Å; V45-A48 PolarHBondContact O-N 3.49Å; V45-V49 WeakPolarHBondContact O-CG2 3.02Å; V45-V49 PolarHBondContact O-N 2.96Å
46V89Confident86.7Confident14 Ų1473.7 Ų73.79%0.08543%0.431CS..Hα-helixtrans-60.5-46.7176.8176.60000111A31 K35 V40 S42 I43 A48 V49 I50A31-V46 HydrophobicContact CB-CG1 4.43Å; K35-V46 HydrophobicContact CB-CG1 3.98Å; K35-V46 HydrophobicContact CB-CG2 4.4Å; K35-V46 HydrophobicContact CD-CG2 4.26Å; K35-V46 HydrophobicContact CG-CG1 4.42Å; V40-V46 HydrophobicContact CB-CG2 3.8Å; V40-V46 HydrophobicContact CG1-CG2 3.52Å; S42-V46 PolarHBondContact O-N 3.39Å; I43-V46 PolarHBondContact O-N 3.33Å; V46-A48 VanDerWaalsContact C-N 3.29Å; V46-A48 PolarHBondContact O-N 3.26Å; V46-V49 PolarHBondContact O-N 3.06Å; V46-I50 HydrophobicContact CG1-CD1 3.73Å; V46-I50 HydrophobicContact CG1-CG1 4.36Å; V46-I50 WeakPolarHBondContact O-CG1 3.29Å; V46-I50 PolarHBondContact O-N 3.47Å
47A90.6Very high87.2Confident58 Ų5865.9 Ų65.948%0.47941%0.405SS..Hα-helixtrans-61-38.9178.800000111.9I43 V45 G51I43-A47 VanDerWaalsContact O-CB 3.29Å; I43-A47 WeakPolarHBondContact O-CB 3.49Å; I43-A47 PolarHBondContact O-N 3.29Å; V45-A47 PolarHBondContact O-N 2.9Å; A47-G51 PolarHBondContact O-N 3.32Å
48A92.3Very high87.8Confident60 Ų6065.1 Ų65.150%0.49641%0.407SS..Hα-helixtrans-62.7-47.2175.300000111.9S44 V45 V46 G51 V52S44-A48 WeakPolarHBondContact O-CB 3.49Å; S44-A48 PolarHBondContact O-N 3.35Å; V45-A48 PolarHBondContact O-N 3.49Å; V46-A48 VanDerWaalsContact C-N 3.29Å; V46-A48 PolarHBondContact O-N 3.26Å; A48-G51 PolarHBondContact O-N 3.23Å; A48-V52 WeakPolarHBondContact O-CG2 3.42Å; A48-V52 PolarHBondContact O-N 2.87Å
49V93.1Very high88.6Confident55 Ų5563 Ų6333%0.33338%0.382SS..Hα-helixtrans-63.6-43.6179.1177.90000111.4L27 A31 V45 V46 G51 V52 G53L27-V49 HydrophobicContact CD2-CG1 4.42Å; A31-V49 HydrophobicContact CB-CB 4.18Å; A31-V49 HydrophobicContact CB-CG1 3.83Å; V45-V49 WeakPolarHBondContact O-CG2 3.02Å; V45-V49 PolarHBondContact O-N 2.96Å; V46-V49 PolarHBondContact O-N 3.06Å; V49-G51 VanDerWaalsContact C-N 3.34Å; V49-G51 PolarHBondContact O-N 3.13Å; V49-V52 PolarHBondContact O-N 3.13Å; V49-G53 PolarHBondContact O-N 3.49Å
50I95Very high89.7Confident54 Ų5456.4 Ų56.428%0.27735%0.348SS..Hα-helixtrans-62.3-43.5175.5-66.6173.2000110.4A31 V46 V52 G53 V54A31-I50 HydrophobicContact CB-CD1 4.36Å; A31-I50 HydrophobicContact CB-CG1 3.68Å; V46-I50 HydrophobicContact CG1-CD1 3.73Å; V46-I50 HydrophobicContact CG1-CG1 4.36Å; V46-I50 WeakPolarHBondContact O-CG1 3.29Å; V46-I50 PolarHBondContact O-N 3.47Å; I50-V52 PolarHBondContact O-N 3.48Å; I50-G53 PolarHBondContact O-N 2.92Å; I50-G53 VanDerWaalsContact O-N 3.17Å; I50-V54 HydrophobicContact CG2-CG2 4.29Å; I50-V54 WeakPolarHBondContact O-CG2 3.46Å; I50-V54 PolarHBondContact O-N 3.25Å
51G96.6Very high91Very high40 Ų4059.9 Ų59.941%0.41236%0.359SS..Hα-helixtrans-59.1-45.617800000112.7A47 A48 V49 V54 F55A47-G51 PolarHBondContact O-N 3.32Å; A48-G51 PolarHBondContact O-N 3.23Å; V49-G51 VanDerWaalsContact C-N 3.34Å; V49-G51 PolarHBondContact O-N 3.13Å; G51-V54 PolarHBondContact O-N 3.41Å; G51-F55 WeakPolarHBondContact O-CB 3.4Å; G51-F55 PolarHBondContact O-N 3.41Å
52V95.2Very high92.4Very high81 Ų8158.7 Ų58.749%0.49135%0.348SS..Hα-helixtrans-61.1-45173.7172.70000110.8A48 V49 I50 V54 F55 L56A48-V52 WeakPolarHBondContact O-CG2 3.42Å; A48-V52 PolarHBondContact O-N 2.87Å; V49-V52 PolarHBondContact O-N 3.13Å; I50-V52 PolarHBondContact O-N 3.48Å; V52-V54 PolarHBondContact O-N 3.39Å; V52-F55 PolarHBondContact O-N 2.87Å; V52-L56 HydrophobicContact CG1-CD1 4Å; V52-L56 HydrophobicContact CG1-CG 4.37Å; V52-L56 WeakPolarHBondContact O-CB 3.29Å; V52-L56 WeakPolarHBondContact O-CG 3.43Å; V52-L56 PolarHBondContact O-N 3.47Å
53G96.6Very high93.4Very high0 Ų057.2 Ų57.20%034%0.338CS..Hα-helixtrans-56.9-49.6176.400000112.5S24 V49 I50 L56 L57S24-G53 WeakPolarHBondContact CB-O 3.32Å; S24-G53 PolarHBondContact OG-O 3.07Å; V49-G53 PolarHBondContact O-N 3.49Å; I50-G53 PolarHBondContact O-N 2.92Å; I50-G53 VanDerWaalsContact O-N 3.17Å; G53-L56 PolarHBondContact O-N 2.9Å; G53-L57 PolarHBondContact O-N 3.09Å
54V97.9Very high94Very high67 Ų6753.5 Ų53.541%0.40632%0.32SS..Hα-helixtrans-63.6-43.3178.81730000111.5I28 I50 G51 V52 L56 L57 L58I28-V54 HydrophobicContact CD1-CG2 3.95Å; I28-V54 HydrophobicContact CG1-CG2 4.47Å; I50-V54 HydrophobicContact CG2-CG2 4.29Å; I50-V54 WeakPolarHBondContact O-CG2 3.46Å; I50-V54 PolarHBondContact O-N 3.25Å; G51-V54 PolarHBondContact O-N 3.41Å; V52-V54 PolarHBondContact O-N 3.39Å; V54-L56 PolarHBondContact O-N 3.48Å; V54-L57 WeakPolarHBondContact O-CB 3.43Å; V54-L57 PolarHBondContact O-N 2.94Å; V54-L58 HydrophobicContact CG1-CD1 4.44Å; V54-L58 WeakPolarHBondContact O-CG 3.35Å; V54-L58 PolarHBondContact O-N 2.95Å; V54-L58 VanDerWaalsContact O-N 3.08Å
55F96.9Very high94.5Very high92 Ų9250.6 Ų50.640%0.40430%0.299SS..Hα-helixtrans-58.6-47.9176173-102.3000111.7G51 V52 L57 L58 V59 I81 V85G51-F55 WeakPolarHBondContact O-CB 3.4Å; G51-F55 PolarHBondContact O-N 3.41Å; V52-F55 PolarHBondContact O-N 2.87Å; F55-L57 VanDerWaalsContact C-N 3.28Å; F55-L57 PolarHBondContact O-N 3.47Å; F55-L58 PolarHBondContact O-N 3.39Å; F55-V59 HydrophobicContact CD1-CG2 4.5Å; F55-V59 HydrophobicContact CD2-CG2 4.44Å; F55-V59 HydrophobicContact CE1-CG2 4.07Å; F55-V59 HydrophobicContact CE2-CG2 4Å; F55-V59 HydrophobicContact CZ-CG2 3.8Å; F55-V59 WeakPolarHBondContact O-CG2 3.2Å; F55-V59 PolarHBondContact O-N 3.47Å; F55-I81 HydrophobicContact CZ-CG2 3.96Å; F55-V85 HydrophobicContact CE1-CG2 3.74Å; F55-V85 HydrophobicContact CZ-CG2 3.86Å
56L95.6Very high94.8Very high42 Ų4246.6 Ų46.622%0.2228%0.275CS..Hα-helixtrans-60.4-37175.8-71.5175.4000112.2L27 V52 G53 V54 V59 A60L27-L56 HydrophobicContact CD1-CD1 3.98Å; V52-L56 HydrophobicContact CG1-CD1 4Å; V52-L56 HydrophobicContact CG1-CG 4.37Å; V52-L56 WeakPolarHBondContact O-CB 3.29Å; V52-L56 WeakPolarHBondContact O-CG 3.43Å; V52-L56 PolarHBondContact O-N 3.47Å; G53-L56 PolarHBondContact O-N 2.9Å; V54-L56 PolarHBondContact O-N 3.48Å; L56-V59 PolarHBondContact O-N 3.41Å; L56-A60 WeakPolarHBondContact O-CB 3.26Å; L56-A60 PolarHBondContact O-N 2.96Å
57L97.5Very high95Very high55 Ų5546 Ų4629%0.28827%0.271SS..Hα-helixtrans-61.4-45.8176.6-164.656.8000111.6V21 S24 L25 G53 V54 F55 A60 F61V21-L57 HydrophobicContact CB-CD1 4.47Å; V21-L57 HydrophobicContact CG1-CD1 4.01Å; V21-L57 HydrophobicContact CG2-CD1 4.32Å; S24-L57 VanDerWaalsContact OG-CB 3.27Å; S24-L57 WeakPolarHBondContact OG-CB 3.44Å; S24-L57 PolarHBondContact OG-N 3.42Å; L25-L57 HydrophobicContact CD2-CD1 4.49Å; G53-L57 PolarHBondContact O-N 3.09Å; V54-L57 WeakPolarHBondContact O-CB 3.43Å; V54-L57 PolarHBondContact O-N 2.94Å; F55-L57 VanDerWaalsContact C-N 3.28Å; F55-L57 PolarHBondContact O-N 3.47Å; L57-A60 PolarHBondContact O-N 3.49Å; L57-F61 WeakPolarHBondContact O-CB 3.42Å; L57-F61 PolarHBondContact O-N 2.97Å
58L97.2Very high95Very high109 Ų10947.8 Ų47.857%0.57127%0.272SS*.Hα-helixtrans-64.3-45.9180-67.7174.7000111.1V54 F55 A60 F61 V62V54-L58 HydrophobicContact CG1-CD1 4.44Å; V54-L58 WeakPolarHBondContact O-CG 3.35Å; V54-L58 PolarHBondContact O-N 2.95Å; V54-L58 VanDerWaalsContact O-N 3.08Å; F55-L58 PolarHBondContact O-N 3.39Å; L58-A60 VanDerWaalsContact C-N 3.35Å; L58-A60 PolarHBondContact O-N 3.24Å; L58-F61 PolarHBondContact O-N 3.45Å; L58-V62 WeakPolarHBondContact O-CB 3.42Å; L58-V62 WeakPolarHBondContact O-CG2 3.47Å; L58-V62 PolarHBondContact O-N 3.42Å
59V96Very high94.8Very high11 Ų1152.3 Ų52.37%0.06728%0.281CS..Hα-helixtrans-61.8-44.5177.1174.60000110.8F55 L56 F61 V62 G63 Y78 I81 L82F55-V59 HydrophobicContact CD1-CG2 4.5Å; F55-V59 HydrophobicContact CD2-CG2 4.44Å; F55-V59 HydrophobicContact CE1-CG2 4.07Å; F55-V59 HydrophobicContact CE2-CG2 4Å; F55-V59 HydrophobicContact CZ-CG2 3.8Å; F55-V59 WeakPolarHBondContact O-CG2 3.2Å; F55-V59 PolarHBondContact O-N 3.47Å; L56-V59 PolarHBondContact O-N 3.41Å; V59-F61 PolarHBondContact O-N 2.86Å; V59-V62 PolarHBondContact O-N 2.87Å; V59-G63 PolarHBondContact O-N 3.48Å; V59-Y78 HydrophobicContact CG1-CD2 4.03Å; V59-Y78 HydrophobicContact CG1-CE2 3.86Å; V59-I81 HydrophobicContact CG1-CG2 4.33Å; V59-I81 HydrophobicContact CG2-CG2 3.7Å; V59-L82 HydrophobicContact CG1-CD2 4.18Å
60A96Very high94.5Very high0 Ų051 Ų510%027%0.271CS..Hα-helixtrans-65.4-37.7178.600000112.4N17 V21 L56 L57 L58 G63 L64N17-A60 WeakPolarHBondContact OD1-CA 3.03Å; N17-A60 PolarHBondContact OD1-O 3.17Å; V21-A60 HydrophobicContact CG2-CB 3.69Å; L56-A60 WeakPolarHBondContact O-CB 3.26Å; L56-A60 PolarHBondContact O-N 2.96Å; L57-A60 PolarHBondContact O-N 3.49Å; L58-A60 VanDerWaalsContact C-N 3.35Å; L58-A60 PolarHBondContact O-N 3.24Å; A60-G63 PolarHBondContact O-N 3.23Å; A60-L64 VanDerWaalsContact O-CB 3.28Å; A60-L64 WeakPolarHBondContact O-CB 3.18Å; A60-L64 PolarHBondContact O-N 2.86Å
61F95.1Very high94.2Very high128 Ų12853.6 Ų53.656%0.56128%0.282SS*.Hα-helixtrans-65.6-44.1175.3-178-101.5000112L57 L58 V59 L64 C65L57-F61 WeakPolarHBondContact O-CB 3.42Å; L57-F61 PolarHBondContact O-N 2.97Å; L58-F61 PolarHBondContact O-N 3.45Å; V59-F61 PolarHBondContact O-N 2.86Å; F61-L64 PolarHBondContact O-N 3.28Å; F61-C65 VanDerWaalsContact CZ-SG 3.53Å; F61-C65 VanDerWaalsContact O-CB 3.3Å; F61-C65 WeakPolarHBondContact O-CB 3.35Å; F61-C65 PolarHBondContact O-N 3.11Å; F61-C65 PolarHBondContact O-SG 2.59Å; F61-C65 VanDerWaalsContact O-SG 3.4Å
62V95.4Very high93.9Very high39 Ų3955.2 Ų55.224%0.23628%0.279CS..Hα-helixtrans-59.2-46.9173.6163.50000110.6L58 V59 G66 L74L58-V62 WeakPolarHBondContact O-CB 3.42Å; L58-V62 WeakPolarHBondContact O-CG2 3.47Å; L58-V62 PolarHBondContact O-N 3.42Å; V59-V62 PolarHBondContact O-N 2.87Å; V62-G66 PolarHBondContact O-N 3.5Å; V62-L74 HydrophobicContact CB-CD1 4.4Å; V62-L74 HydrophobicContact CG1-CD1 3.67Å; V62-L74 HydrophobicContact CG1-CG 3.88Å; V62-L74 HydrophobicContact CG2-CD1 4.34Å; V62-L74 WeakPolarHBondContact O-CD2 3.21Å
63G95Very high93.7Very high3 Ų356.1 Ų56.13%0.03128%0.284CS..Hα-helixtrans-63.8-4417800000113.2N17 V59 A60 G66 A67 Y78N17-G63 WeakPolarHBondContact OD1-CA 3.44Å; V59-G63 PolarHBondContact O-N 3.48Å; A60-G63 PolarHBondContact O-N 3.23Å; G63-G66 PolarHBondContact O-N 2.91Å; G63-A67 WeakPolarHBondContact O-CB 3.26Å; G63-A67 PolarHBondContact O-N 2.99Å; G63-Y78 VanDerWaalsContact CA-CD2 3.4Å
64L94.6Very high93.5Very high41 Ų4158.5 Ų58.522%0.21530%0.297CS..Hα-helixtrans-65.2-48.1177.3-173.764.9000111.7N17 V18 A60 F61 G66 A67 L68N17-L64 HydrophobicContact CB-CB 4.13Å; V18-L64 HydrophobicContact CG2-CD1 4.3Å; A60-L64 VanDerWaalsContact O-CB 3.28Å; A60-L64 WeakPolarHBondContact O-CB 3.18Å; A60-L64 PolarHBondContact O-N 2.86Å; F61-L64 PolarHBondContact O-N 3.28Å; L64-G66 VanDerWaalsContact C-N 3.25Å; L64-G66 PolarHBondContact O-N 2.97Å; L64-A67 PolarHBondContact O-N 3.4Å; L64-L68 HydrophobicContact CD1-CD1 4.28Å; L64-L68 HydrophobicContact CD1-CG 4.33Å; L64-L68 HydrophobicContact CG-CD1 4.05Å; L64-L68 HydrophobicContact CG-CG 4.44Å; L64-L68 WeakPolarHBondContact O-CB 3.41Å; L64-L68 VanDerWaalsContact O-CG 3.3Å; L64-L68 WeakPolarHBondContact O-CG 3.4Å; L64-L68 PolarHBondContact O-N 3.47Å
65C93.8Very high93.2Very high30 Ų3055.4 Ų55.420%0.20328%0.278CS..Hα-helixtrans-59.8-39.3175.3-76.90000111.4F61 K69 L74F61-C65 VanDerWaalsContact CZ-SG 3.53Å; F61-C65 VanDerWaalsContact O-CB 3.3Å; F61-C65 WeakPolarHBondContact O-CB 3.35Å; F61-C65 PolarHBondContact O-N 3.11Å; F61-C65 PolarHBondContact O-SG 2.59Å; F61-C65 VanDerWaalsContact O-SG 3.4Å; C65-K69 WeakPolarHBondContact O-CB 3.2Å; C65-K69 PolarHBondContact O-N 3.3Å; C65-L74 HydrophobicContact CB-CD2 3.66Å
66G92.3Very high93Very high0 Ų055 Ų550%028%0.276CS..Hα-helixtrans-59.6-52.9173.600000111.1V62 G63 L64 L68 H70 L75V62-G66 PolarHBondContact O-N 3.5Å; G63-G66 PolarHBondContact O-N 2.91Å; L64-G66 VanDerWaalsContact C-N 3.25Å; L64-G66 PolarHBondContact O-N 2.97Å; G66-L68 VanDerWaalsContact C-N 3.34Å; G66-L68 PolarHBondContact O-N 3.3Å; G66-H70 VanDerWaalsContact O-CA 3.24Å; G66-H70 WeakPolarHBondContact O-CA 3.24Å; G66-H70 PolarHBondContact O-N 3.38Å; G66-L75 VanDerWaalsContact C-CD1 3.42Å; G66-L75 VanDerWaalsContact O-CD1 3.3Å; G66-L75 WeakPolarHBondContact O-CD1 3.41Å
67A91.8Very high92.9Very high0 Ų058.3 Ų58.30%029%0.289CS..Hα-helixtrans-58.2-44.4179.600000112.5K10 L13 S14 G63 L64 Y190K10-A67 WeakPolarHBondContact CE-O 3.28Å; L13-A67 HydrophobicContact CB-CB 4.45Å; L13-A67 HydrophobicContact CD2-CB 3.99Å; L13-A67 HydrophobicContact CG-CB 4.16Å; S14-A67 WeakPolarHBondContact OG-CB 2.97Å; G63-A67 WeakPolarHBondContact O-CB 3.26Å; G63-A67 PolarHBondContact O-N 2.99Å; L64-A67 PolarHBondContact O-N 3.4Å; A67-Y190 PolarHBondContact O-OH 3.01Å
68L90.6Very high92.8Very high97 Ų9755.8 Ų55.851%0.50828%0.275SS..Hα-helixtrans-72.6-47.1-175.8-68.2179.3000113.1K10 L64 G66K10-L68 PolarHBondContact NZ-O 3.21Å; L64-L68 HydrophobicContact CD1-CD1 4.28Å; L64-L68 HydrophobicContact CD1-CG 4.33Å; L64-L68 HydrophobicContact CG-CD1 4.05Å; L64-L68 HydrophobicContact CG-CG 4.44Å; L64-L68 WeakPolarHBondContact O-CB 3.41Å; L64-L68 VanDerWaalsContact O-CG 3.3Å; L64-L68 WeakPolarHBondContact O-CG 3.4Å; L64-L68 PolarHBondContact O-N 3.47Å; G66-L68 VanDerWaalsContact C-N 3.34Å; G66-L68 PolarHBondContact O-N 3.3Å
69K88Confident92.7Very high154 Ų15452.3 Ų52.367%0.6726%0.257SS*.Hα-helixtrans-90.7-4-176.9-63.2-174.1174.4-177.70114C65 Q71C65-K69 WeakPolarHBondContact O-CB 3.2Å; C65-K69 PolarHBondContact O-N 3.3Å; K69-Q71 HydrophobicContact CB-CG 3.6Å; K69-Q71 HydrophobicContact CD-CG 4.47Å; K69-Q71 PolarHBondContact O-N 3.36Å; K69-Q71 VanDerWaalsContact O-N 3.15Å
70H87.9Confident92.7Very high28 Ų2856.1 Ų56.113%0.1328%0.275CS..THydrogen-bonded Turntrans49.737.8-175.6-163.970.9000112.9F6 G66 Q72 Y190F6-H70 AromaticContact CE2-CE1 3.68Å; F6-H70 AromaticContact CE2-ND1 3.84Å; F6-H70 AromaticContact CZ-ND1 3.96Å; G66-H70 VanDerWaalsContact O-CA 3.24Å; G66-H70 WeakPolarHBondContact O-CA 3.24Å; G66-H70 PolarHBondContact O-N 3.38Å; H70-Q72 PolarHBondContact NE2-NE2 3.45Å; H70-Q72 VanDerWaalsContact NE2-NE2 3.2Å; H70-Q72 PolarHBondContact O-N 2.89Å; H70-Y190 PolarHBondContact CE1-O 2.88Å; H70-Y190 AromaticContact ND1-CE1 3.4Å; H70-Y190 WeakPolarHBondContact ND1-CE1 3.34Å; H70-Y190 AromaticContact ND1-CE2 3.84Å; H70-Y190 AromaticContact ND1-CZ 3.26Å; H70-Y190 VanDerWaalsContact ND1-CZ 3.26Å; H70-Y190 PolarHBondContact ND1-OH 2.88Å
71Q89.3Confident92.7Very high108 Ų10858.9 Ų58.951%0.50529%0.289SS..  trans-80.398.3-176.1-72.9-71.3-59.500110.9K69 V73 L74 L75K69-Q71 HydrophobicContact CB-CG 3.6Å; K69-Q71 HydrophobicContact CD-CG 4.47Å; K69-Q71 PolarHBondContact O-N 3.36Å; K69-Q71 VanDerWaalsContact O-N 3.15Å; Q71-V73 VanDerWaalsContact C-N 3.25Å; Q71-V73 PolarHBondContact O-N 2.98Å; Q71-V73 VanDerWaalsContact O-N 3.09Å; Q71-L74 HydrophobicContact CB-CB 3.98Å; Q71-L74 WeakPolarHBondContact O-CB 3.31Å; Q71-L74 PolarHBondContact O-N 3.05Å; Q71-L75 WeakPolarHBondContact O-CD1 3.38Å; Q71-L75 PolarHBondContact O-N 3.08Å; Q71-L75 VanDerWaalsContact O-N 3.16Å
72Q89.1Confident92.6Very high74 Ų7453 Ų5335%0.34626%0.264SS..Hα-helixtrans-50-40.2-171.7-70.3-68.6-14.800114.6H70 F76 R191H70-Q72 PolarHBondContact NE2-NE2 3.45Å; H70-Q72 VanDerWaalsContact NE2-NE2 3.2Å; H70-Q72 PolarHBondContact O-N 2.89Å; Q72-F76 PolarHBondContact O-N 3.17Å; Q72-F76 VanDerWaalsContact O-N 3.09Å; Q72-R191 PolarHBondContact NE2-O 2.6Å; Q72-R191 VanDerWaalsContact NE2-O 3.08Å
73V91.2Very high92.7Very high100 Ų10055.9 Ų55.961%0.60627%0.273SS*.Hα-helixtrans-65.7-42.4178-179.20000111.5Q71 L75 F76 F77Q71-V73 VanDerWaalsContact C-N 3.25Å; Q71-V73 PolarHBondContact O-N 2.98Å; Q71-V73 VanDerWaalsContact O-N 3.09Å; V73-L75 PolarHBondContact O-N 3.36Å; V73-F76 WeakPolarHBondContact O-CB 3.06Å; V73-F76 PolarHBondContact O-N 3.2Å; V73-F77 HydrophobicContact CG1-CD2 3.93Å; V73-F77 HydrophobicContact CG1-CE2 3.56Å; V73-F77 VanDerWaalsContact O-CD2 3.22Å; V73-F77 WeakPolarHBondContact O-CD2 3.45Å; V73-F77 PolarHBondContact O-N 2.92Å; V73-F77 VanDerWaalsContact O-N 3.17Å
74L91.6Very high92.8Very high51 Ų5159.3 Ų59.327%0.26729%0.293SS..Hα-helixtrans-67-39.5-179.1-164.966.1000111.5V62 C65 Q71 F76 F77 Y78V62-L74 HydrophobicContact CB-CD1 4.4Å; V62-L74 HydrophobicContact CG1-CD1 3.67Å; V62-L74 HydrophobicContact CG1-CG 3.88Å; V62-L74 HydrophobicContact CG2-CD1 4.34Å; V62-L74 WeakPolarHBondContact O-CD2 3.21Å; C65-L74 HydrophobicContact CB-CD2 3.66Å; Q71-L74 HydrophobicContact CB-CB 3.98Å; Q71-L74 WeakPolarHBondContact O-CB 3.31Å; Q71-L74 PolarHBondContact O-N 3.05Å; L74-F76 VanDerWaalsContact C-N 3.31Å; L74-F76 PolarHBondContact O-N 3.46Å; L74-F77 PolarHBondContact O-N 3.22Å; L74-Y78 WeakPolarHBondContact O-CB 3.36Å; L74-Y78 PolarHBondContact O-N 2.93Å
75L92.4Very high92.8Very high2 Ų258.6 Ų58.61%0.0129%0.29CS..Hα-helixtrans-68.6-29.7174.5-74.178.8000112.3G66 Q71 V73 M79 T187 Y190 R191G66-L75 VanDerWaalsContact C-CD1 3.42Å; G66-L75 VanDerWaalsContact O-CD1 3.3Å; G66-L75 WeakPolarHBondContact O-CD1 3.41Å; Q71-L75 WeakPolarHBondContact O-CD1 3.38Å; Q71-L75 PolarHBondContact O-N 3.08Å; Q71-L75 VanDerWaalsContact O-N 3.16Å; V73-L75 PolarHBondContact O-N 3.36Å; L75-M79 VanDerWaalsContact O-CB 3.27Å; L75-M79 WeakPolarHBondContact O-CB 3.35Å; L75-M79 PolarHBondContact O-N 3.34Å; L75-T187 HydrophobicContact CB-CG2 3.88Å; L75-T187 HydrophobicContact CD2-CG2 4.28Å; L75-T187 HydrophobicContact CG-CG2 4.3Å; L75-T187 WeakPolarHBondContact O-CG2 3.37Å; L75-Y190 HydrophobicContact CD2-CD1 3.38Å; L75-Y190 HydrophobicContact CD2-CE1 3.86Å; L75-Y190 HydrophobicContact CD2-CG 4.43Å; L75-R191 HydrophobicContact CB-CG 3.55Å; L75-R191 HydrophobicContact CD2-CG 3.54Å; L75-R191 HydrophobicContact CG-CG 4.2Å
76F92.6Very high92.9Very high82 Ų8259.1 Ų59.136%0.3629%0.289SS..Hα-helixtrans-63.1-50.7173.6178.1-96.5000111.1Q72 V73 L74 M79 M80 R191Q72-F76 PolarHBondContact O-N 3.17Å; Q72-F76 VanDerWaalsContact O-N 3.09Å; V73-F76 WeakPolarHBondContact O-CB 3.06Å; V73-F76 PolarHBondContact O-N 3.2Å; L74-F76 VanDerWaalsContact C-N 3.31Å; L74-F76 PolarHBondContact O-N 3.46Å; F76-M79 HydrophobicContact CD2-CE 4.41Å; F76-M79 PolarHBondContact O-N 3.48Å; F76-M80 HydrophobicContact CE1-CE 3.92Å; F76-M80 HydrophobicContact CE2-CE 4.45Å; F76-M80 HydrophobicContact CZ-CE 3.6Å; F76-M80 PolarHBondContact O-N 3.47Å; F76-R191 VanDerWaalsContact CD2-NH1 3.34Å
77F93.9Very high93.2Very high113 Ų11362.1 Ų62.150%0.49631%0.307SS..Hα-helixtrans-62.9-43.2177.1-72.9-65.1000111.9V73 L74 M79 M80 I81V73-F77 HydrophobicContact CG1-CD2 3.93Å; V73-F77 HydrophobicContact CG1-CE2 3.56Å; V73-F77 VanDerWaalsContact O-CD2 3.22Å; V73-F77 WeakPolarHBondContact O-CD2 3.45Å; V73-F77 PolarHBondContact O-N 2.92Å; V73-F77 VanDerWaalsContact O-N 3.17Å; L74-F77 PolarHBondContact O-N 3.22Å; F77-M79 VanDerWaalsContact C-N 3.35Å; F77-M79 PolarHBondContact O-N 2.97Å; F77-M80 PolarHBondContact O-N 3.29Å; F77-I81 WeakPolarHBondContact O-CB 2.9Å; F77-I81 VanDerWaalsContact O-CG1 3.24Å; F77-I81 WeakPolarHBondContact O-CG1 3.45Å; F77-I81 PolarHBondContact O-N 3.35Å
78Y95.1Very high93.4Very high1 Ų167 Ų670%0.00433%0.333CS..Hα-helixtrans-55.8-48.3175178.4-105.8000112.2L13 L16 N17 V59 G63 L74 M80 I81 L82 T187L13-Y78 HydrophobicContact CD1-CE1 4Å; L16-Y78 WeakPolarHBondContact CD2-OH 2.94Å; N17-Y78 PolarHBondContact ND2-OH 3.39Å; N17-Y78 WeakPolarHBondContact OD1-CE2 3.3Å; N17-Y78 PolarHBondContact OD1-OH 3.32Å; N17-Y78 VanDerWaalsContact OD1-OH 3.11Å; V59-Y78 HydrophobicContact CG1-CD2 4.03Å; V59-Y78 HydrophobicContact CG1-CE2 3.86Å; G63-Y78 VanDerWaalsContact CA-CD2 3.4Å; L74-Y78 WeakPolarHBondContact O-CB 3.36Å; L74-Y78 PolarHBondContact O-N 2.93Å; Y78-M80 PolarHBondContact O-N 3.47Å; Y78-I81 PolarHBondContact O-N 2.98Å; Y78-L82 HydrophobicContact CD1-CD1 4.06Å; Y78-L82 HydrophobicContact CD1-CG 4.48Å; Y78-L82 HydrophobicContact CD2-CG 4.45Å; Y78-L82 HydrophobicContact CE1-CD1 3.33Å; Y78-L82 HydrophobicContact CE1-CG 4.07Å; Y78-L82 HydrophobicContact CE2-CD1 4.07Å; Y78-L82 HydrophobicContact CE2-CD2 4.35Å; Y78-L82 HydrophobicContact CE2-CG 4.06Å; Y78-L82 WeakPolarHBondContact O-CB 3.43Å; Y78-L82 WeakPolarHBondContact O-CG 3.34Å; Y78-L82 PolarHBondContact O-N 2.79Å; Y78-L82 WeakPolarHBondContact OH-CD1 3.49Å; Y78-T187 HydrophobicContact CD1-CG2 3.94Å; Y78-T187 WeakPolarHBondContact CD1-OG1 3.3Å; Y78-T187 VanDerWaalsContact CE1-OG1 3.28Å; Y78-T187 WeakPolarHBondContact CE1-OG1 3.41Å
79M94.3Very high93.6Very high36 Ų3664.7 Ų64.718%0.17732%0.32CS..Hα-helixtrans-60.5-43.8177.5-174-172.676.200112.1L75 F76 F77 F83 V184 T187 H188L75-M79 VanDerWaalsContact O-CB 3.27Å; L75-M79 WeakPolarHBondContact O-CB 3.35Å; L75-M79 PolarHBondContact O-N 3.34Å; F76-M79 HydrophobicContact CD2-CE 4.41Å; F76-M79 PolarHBondContact O-N 3.48Å; F77-M79 VanDerWaalsContact C-N 3.35Å; F77-M79 PolarHBondContact O-N 2.97Å; M79-F83 WeakPolarHBondContact O-CB 3.27Å; M79-F83 PolarHBondContact O-N 3.44Å; M79-V184 HydrophobicContact CG-CG1 3.93Å; M79-T187 HydrophobicContact CB-CG2 3.98Å; M79-H188 HydrophobicContact SD-CB 4.17Å
80M95.8Very high94Very high92 Ų9261.5 Ų61.545%0.45331%0.306SS..Hα-helixtrans-63.1-46.4178-170.477.980.200111.3F76 F77 Y78 F83 V84F76-M80 HydrophobicContact CE1-CE 3.92Å; F76-M80 HydrophobicContact CE2-CE 4.45Å; F76-M80 HydrophobicContact CZ-CE 3.6Å; F76-M80 PolarHBondContact O-N 3.47Å; F77-M80 PolarHBondContact O-N 3.29Å; Y78-M80 PolarHBondContact O-N 3.47Å; M80-F83 PolarHBondContact O-N 3.45Å; M80-V84 WeakPolarHBondContact O-CG2 3.35Å; M80-V84 PolarHBondContact O-N 2.81Å
81I96Very high94.5Very high58 Ų5863.4 Ų63.430%0.29732%0.323SS..Hα-helixtrans-63.4-49.4-179.9-66.6163.6000110.2F55 V59 F77 Y78 F83 V84 V85F55-I81 HydrophobicContact CZ-CG2 3.96Å; V59-I81 HydrophobicContact CG1-CG2 4.33Å; V59-I81 HydrophobicContact CG2-CG2 3.7Å; F77-I81 WeakPolarHBondContact O-CB 2.9Å; F77-I81 VanDerWaalsContact O-CG1 3.24Å; F77-I81 WeakPolarHBondContact O-CG1 3.45Å; F77-I81 PolarHBondContact O-N 3.35Å; Y78-I81 PolarHBondContact O-N 2.98Å; I81-F83 PolarHBondContact O-N 3.48Å; I81-V84 PolarHBondContact O-N 3.48Å; I81-V85 HydrophobicContact CG2-CG2 4.25Å; I81-V85 WeakPolarHBondContact O-CG2 3.34Å; I81-V85 PolarHBondContact O-N 3.36Å
82L94.9Very high94.7Very high4 Ų463.4 Ų63.42%0.02133%0.325CS..Hα-helixtrans-57.5-38.5176.8-78.6-169.7000112.4Y20 V59 Y78 V85 F86 V184Y20-L82 HydrophobicContact CE2-CD2 4.47Å; V59-L82 HydrophobicContact CG1-CD2 4.18Å; Y78-L82 HydrophobicContact CD1-CD1 4.06Å; Y78-L82 HydrophobicContact CD1-CG 4.48Å; Y78-L82 HydrophobicContact CD2-CG 4.45Å; Y78-L82 HydrophobicContact CE1-CD1 3.33Å; Y78-L82 HydrophobicContact CE1-CG 4.07Å; Y78-L82 HydrophobicContact CE2-CD1 4.07Å; Y78-L82 HydrophobicContact CE2-CD2 4.35Å; Y78-L82 HydrophobicContact CE2-CG 4.06Å; Y78-L82 WeakPolarHBondContact O-CB 3.43Å; Y78-L82 WeakPolarHBondContact O-CG 3.34Å; Y78-L82 PolarHBondContact O-N 2.79Å; Y78-L82 WeakPolarHBondContact OH-CD1 3.49Å; L82-V85 PolarHBondContact O-N 2.83Å; L82-F86 VanDerWaalsContact O-CB 3.25Å; L82-F86 WeakPolarHBondContact O-CB 3.43Å; L82-F86 PolarHBondContact O-N 3.32Å; L82-V184 HydrophobicContact CB-CG2 3.68Å; L82-V184 HydrophobicContact CD1-CG2 4.4Å
83F96.1Very high95.1Very high99 Ų9960.1 Ų60.143%0.43431%0.31SS..Hα-helixtrans-66.9-41.8178.3-177.5-105.7000112.4M79 M80 I81 F86 V87 V184M79-F83 WeakPolarHBondContact O-CB 3.27Å; M79-F83 PolarHBondContact O-N 3.44Å; M80-F83 PolarHBondContact O-N 3.45Å; I81-F83 PolarHBondContact O-N 3.48Å; F83-F86 HydrophobicContact CD2-CD1 4.33Å; F83-F86 HydrophobicContact CE2-CD1 4.37Å; F83-F86 WeakPolarHBondContact O-CB 3.22Å; F83-F86 PolarHBondContact O-N 2.83Å; F83-V87 HydrophobicContact CE1-CG2 4.21Å; F83-V87 HydrophobicContact CE2-CG2 4.49Å; F83-V87 HydrophobicContact CZ-CG2 4.14Å; F83-V87 WeakPolarHBondContact O-CG2 3.39Å; F83-V87 PolarHBondContact O-N 2.89Å; F83-V184 HydrophobicContact CB-CG2 4.33Å
84V96.6Very high95.3Very high76 Ų7657.6 Ų57.646%0.46130%0.297SS..Hα-helixtrans-64.4-44.7175.5172.40000111M80 I81 F86 V87 L88M80-V84 WeakPolarHBondContact O-CG2 3.35Å; M80-V84 PolarHBondContact O-N 2.81Å; I81-V84 PolarHBondContact O-N 3.48Å; V84-F86 VanDerWaalsContact C-N 3.32Å; V84-F86 PolarHBondContact O-N 2.86Å; V84-V87 PolarHBondContact O-N 3.2Å; V84-L88 HydrophobicContact CG1-CD1 4.16Å; V84-L88 WeakPolarHBondContact O-CG 3.13Å; V84-L88 PolarHBondContact O-N 3.27Å; V84-L88 VanDerWaalsContact O-N 3.07Å
85V95.8Very high95.5Very high25 Ų2557.6 Ų57.615%0.15230%0.304CS..Hα-helixtrans-60.5-44.9176.8176.90000110.3F55 I81 L82 V87 L88 Q89 E180F55-V85 HydrophobicContact CE1-CG2 3.74Å; F55-V85 HydrophobicContact CZ-CG2 3.86Å; I81-V85 HydrophobicContact CG2-CG2 4.25Å; I81-V85 WeakPolarHBondContact O-CG2 3.34Å; I81-V85 PolarHBondContact O-N 3.36Å; L82-V85 PolarHBondContact O-N 2.83Å; V85-V87 PolarHBondContact O-N 3.45Å; V85-L88 PolarHBondContact O-N 3.1Å; V85-Q89 VanDerWaalsContact O-CB 3.24Å; V85-Q89 WeakPolarHBondContact O-CB 3.22Å; V85-Q89 PolarHBondContact O-N 2.99Å; V85-E180 WeakPolarHBondContact CG1-OE1 3.37Å
86F96.6Very high95.6Very high41 Ų4158.5 Ų58.518%0.1831%0.31CS..Hα-helixtrans-54.8-48.7175.1162.8-102.4000112.4L82 F83 V84 L88 Q89 F90 S177 E180 I181L82-F86 VanDerWaalsContact O-CB 3.25Å; L82-F86 WeakPolarHBondContact O-CB 3.43Å; L82-F86 PolarHBondContact O-N 3.32Å; F83-F86 HydrophobicContact CD2-CD1 4.33Å; F83-F86 HydrophobicContact CE2-CD1 4.37Å; F83-F86 WeakPolarHBondContact O-CB 3.22Å; F83-F86 PolarHBondContact O-N 2.83Å; V84-F86 VanDerWaalsContact C-N 3.32Å; V84-F86 PolarHBondContact O-N 2.86Å; F86-L88 PolarHBondContact O-N 3.3Å; F86-Q89 PolarHBondContact O-N 3.38Å; F86-F90 HydrophobicContact CE2-CB 4.29Å; F86-F90 WeakPolarHBondContact O-CB 3.32Å; F86-F90 PolarHBondContact O-N 3.4Å; F86-S177 WeakPolarHBondContact CD2-O 3.5Å; F86-E180 VanDerWaalsContact CA-OE2 3.25Å; F86-E180 WeakPolarHBondContact CA-OE2 3.25Å; F86-E180 HydrophobicContact CB-CB 4.21Å; F86-E180 PolarHBondContact N-OE2 3.4Å; F86-I181 HydrophobicContact CD2-CB 4.32Å; F86-I181 HydrophobicContact CE2-CB 4.23Å
87V97.3Very high95.6Very high63 Ų6358.2 Ų58.238%0.38231%0.312SS..Hα-helixtrans-60.9-48.5179.7171.60000110.7F83 V84 V85 S91F83-V87 HydrophobicContact CE1-CG2 4.21Å; F83-V87 HydrophobicContact CE2-CG2 4.49Å; F83-V87 HydrophobicContact CZ-CG2 4.14Å; F83-V87 WeakPolarHBondContact O-CG2 3.39Å; F83-V87 PolarHBondContact O-N 2.89Å; V84-V87 PolarHBondContact O-N 3.2Å; V85-V87 PolarHBondContact O-N 3.45Å; V87-S91 WeakPolarHBondContact O-CB 3.44Å; V87-S91 PolarHBondContact O-N 3.41Å; V87-S91 PolarHBondContact O-OG 2.85Å
88L96.1Very high95.7Very high102 Ų10256.1 Ų56.153%0.53432%0.315SS..Hα-helixtrans-63.3-47.2-179.8-68.1175.6000111.6V84 V85 F86 S91 I92V84-L88 HydrophobicContact CG1-CD1 4.16Å; V84-L88 WeakPolarHBondContact O-CG 3.13Å; V84-L88 PolarHBondContact O-N 3.27Å; V84-L88 VanDerWaalsContact O-N 3.07Å; V85-L88 PolarHBondContact O-N 3.1Å; F86-L88 PolarHBondContact O-N 3.3Å; L88-S91 PolarHBondContact O-N 3.27Å; L88-I92 WeakPolarHBondContact O-CB 3.24Å; L88-I92 VanDerWaalsContact O-CG1 3.24Å; L88-I92 WeakPolarHBondContact O-CG1 3.43Å; L88-I92 PolarHBondContact O-N 3.15Å
89Q95.4Very high95.6Very high49 Ų4958.4 Ų58.423%0.22933%0.327CS..Hα-helixtrans-68.4-42.2-176.9-170.7169.7-58.100111.7V85 F86 I92 S93 G173V85-Q89 VanDerWaalsContact O-CB 3.24Å; V85-Q89 WeakPolarHBondContact O-CB 3.22Å; V85-Q89 PolarHBondContact O-N 2.99Å; F86-Q89 PolarHBondContact O-N 3.38Å; Q89-I92 PolarHBondContact O-N 3.33Å; Q89-S93 WeakPolarHBondContact O-CB 3.43Å; Q89-S93 PolarHBondContact O-N 3Å; Q89-S93 PolarHBondContact O-OG 3.26Å; Q89-G173 PolarHBondContact NE2-O 3.39Å
90F96.8Very high95.5Very high87 Ų8761.8 Ų61.838%0.38235%0.346SS..Hα-helixtrans-60.6-47.5174.6-177.7-102.3000110.8F86 S93 C94 L174 S177F86-F90 HydrophobicContact CE2-CB 4.29Å; F86-F90 WeakPolarHBondContact O-CB 3.32Å; F86-F90 PolarHBondContact O-N 3.4Å; F90-S93 PolarHBondContact O-N 3.49Å; F90-C94 WeakPolarHBondContact O-CB 3.25Å; F90-C94 PolarHBondContact O-N 2.91Å; F90-C94 PolarHBondContact O-SG 2.96Å; F90-L174 HydrophobicContact CD2-CD2 3.65Å; F90-L174 HydrophobicContact CE2-CD2 3.73Å; F90-S177 PolarHBondContact N-OG 2.89Å
91S96.8Very high95.3Very high69 Ų6961.3 Ų61.348%0.48335%0.348SS..Hα-helixtrans-61.1-48.6177.4-66.40000113V87 L88 S93 C94 A95V87-S91 WeakPolarHBondContact O-CB 3.44Å; V87-S91 PolarHBondContact O-N 3.41Å; V87-S91 PolarHBondContact O-OG 2.85Å; L88-S91 PolarHBondContact O-N 3.27Å; S91-S93 VanDerWaalsContact C-N 3.34Å; S91-S93 PolarHBondContact O-N 3.45Å; S91-C94 PolarHBondContact O-N 3.45Å; S91-A95 WeakPolarHBondContact O-CB 3.36Å; S91-A95 PolarHBondContact O-N 3.17Å
92I95.4Very high95Very high107 Ų10764.5 Ų64.555%0.54937%0.366SS..Hα-helixtrans-63.6-42.5179.3-68.3166.1000110.3L88 Q89 A95 C96L88-I92 WeakPolarHBondContact O-CB 3.24Å; L88-I92 VanDerWaalsContact O-CG1 3.24Å; L88-I92 WeakPolarHBondContact O-CG1 3.43Å; L88-I92 PolarHBondContact O-N 3.15Å; Q89-I92 PolarHBondContact O-N 3.33Å; I92-A95 WeakPolarHBondContact O-CB 3.24Å; I92-A95 PolarHBondContact O-N 3.01Å; I92-C96 PolarHBondContact O-N 3.31Å; I92-C96 PolarHBondContact O-SG 2.96Å
93S96.9Very high94.9Very high5 Ų568.7 Ų68.74%0.03539%0.386CS..Hα-helixtrans-65.6-43.2-179.1-56.40000111.8Q89 F90 S91 A95 C96 L97 G170 G173 L174Q89-S93 WeakPolarHBondContact O-CB 3.43Å; Q89-S93 PolarHBondContact O-N 3Å; Q89-S93 PolarHBondContact O-OG 3.26Å; F90-S93 PolarHBondContact O-N 3.49Å; S91-S93 VanDerWaalsContact C-N 3.34Å; S91-S93 PolarHBondContact O-N 3.45Å; S93-A95 VanDerWaalsContact C-N 3.33Å; S93-A95 PolarHBondContact O-N 2.93Å; S93-C96 PolarHBondContact O-N 3.34Å; S93-L97 VanDerWaalsContact O-CD1 3.31Å; S93-L97 WeakPolarHBondContact O-CD1 3.34Å; S93-L97 PolarHBondContact O-N 2.89Å; S93-G170 WeakPolarHBondContact CB-O 3.44Å; S93-G173 VanDerWaalsContact OG-CA 3.26Å; S93-G173 WeakPolarHBondContact OG-CA 3.45Å; S93-L174 PolarHBondContact OG-N 2.91Å
94C95.9Very high94.7Very high48 Ų4864.8 Ų64.832%0.32437%0.369SS..Hα-helixtrans-60.2-42.5172.3-73.80000111.7F90 S91 L97 A98F90-C94 WeakPolarHBondContact O-CB 3.25Å; F90-C94 PolarHBondContact O-N 2.91Å; F90-C94 PolarHBondContact O-SG 2.96Å; S91-C94 PolarHBondContact O-N 3.45Å; C94-L97 PolarHBondContact O-N 3.45Å; C94-A98 VanDerWaalsContact O-CB 3.22Å; C94-A98 WeakPolarHBondContact O-CB 3.47Å; C94-A98 PolarHBondContact O-N 3.47Å
95A94.9Very high94.4Very high50 Ų5062.8 Ų62.841%0.41336%0.355SS..Hα-helixtrans-60.6-48.1175.200000111.2S91 I92 S93 L97 A98 L99S91-A95 WeakPolarHBondContact O-CB 3.36Å; S91-A95 PolarHBondContact O-N 3.17Å; I92-A95 WeakPolarHBondContact O-CB 3.24Å; I92-A95 PolarHBondContact O-N 3.01Å; S93-A95 VanDerWaalsContact C-N 3.33Å; S93-A95 PolarHBondContact O-N 2.93Å; A95-L97 VanDerWaalsContact C-N 3.27Å; A95-L97 PolarHBondContact O-N 3.42Å; A95-A98 PolarHBondContact O-N 2.88Å; A95-A98 VanDerWaalsContact O-N 3.15Å; A95-L99 VanDerWaalsContact O-CG 3.25Å; A95-L99 WeakPolarHBondContact O-CG 3.27Å; A95-L99 PolarHBondContact O-N 2.89Å
96C94.4Very high94.3Very high21 Ų2167.9 Ų67.914%0.14238%0.378CS..Hα-helixtrans-58.9-35.4178.1-68.30000113.4I92 S93 L166I92-C96 PolarHBondContact O-N 3.31Å; I92-C96 PolarHBondContact O-SG 2.96Å; S93-C96 PolarHBondContact O-N 3.34Å; C96-L166 HydrophobicContact CB-CB 4.42Å; C96-L166 HydrophobicContact CB-CD2 4.27Å
97L93.6Very high94Very high77 Ų7771 Ų7140%0.40340%0.395SS..Hα-helixtrans-77.6-32.1176.6-94.874.1000113.4S93 C94 A95 L174S93-L97 VanDerWaalsContact O-CD1 3.31Å; S93-L97 WeakPolarHBondContact O-CD1 3.34Å; S93-L97 PolarHBondContact O-N 2.89Å; C94-L97 PolarHBondContact O-N 3.45Å; A95-L97 VanDerWaalsContact C-N 3.27Å; A95-L97 PolarHBondContact O-N 3.42Å; L97-L174 HydrophobicContact CD1-CD1 4.38Å; L97-L174 HydrophobicContact CD2-CD1 3.74Å
98A94.7Very high93.8Very high69 Ų6969.6 Ų69.657%0.5739%0.386SS*.Hα-helixtrans-93-6.7-174.400000114.1C94 A95 N100C94-A98 VanDerWaalsContact O-CB 3.22Å; C94-A98 WeakPolarHBondContact O-CB 3.47Å; C94-A98 PolarHBondContact O-N 3.47Å; A95-A98 PolarHBondContact O-N 2.88Å; A95-A98 VanDerWaalsContact O-N 3.15Å; A98-N100 PolarHBondContact O-N 3.48Å
99L93.5Very high93.5Very high48 Ų4869.1 Ų69.125%0.25138%0.381SS..  trans-61127.3179.7-87.3166.7000111.8A95 Q103 L107 L166A95-L99 VanDerWaalsContact O-CG 3.25Å; A95-L99 WeakPolarHBondContact O-CG 3.27Å; A95-L99 PolarHBondContact O-N 2.89Å; L99-Q103 HydrophobicContact CD2-CB 3.75Å; L99-L107 HydrophobicContact CD1-CD1 4.27Å; L99-L107 HydrophobicContact CD2-CD1 4.19Å; L99-L166 HydrophobicContact CD1-CD1 4.03Å
100N93.1Very high93.3Very high108 Ų10871.8 Ų71.858%0.57840%0.4SS*.  trans-85.7163173.1-65.8-52.5000111.8A98 D102 Q103 Q104A98-N100 PolarHBondContact O-N 3.48Å; N100-D102 VanDerWaalsContact C-N 3.32Å; N100-D102 PolarHBondContact O-N 2.89Å; N100-Q103 PolarHBondContact O-N 3.32Å; N100-Q104 PolarHBondContact O-N 3.49Å
101T89.7Confident93Very high81 Ų8169.7 Ų69.750%0.49740%0.403SS..Hα-helixtrans-57.7-40.1-178-44.50000113Q104 N105T101-Q104 PolarHBondContact O-N 3.42Å; T101-N105 WeakPolarHBondContact O-CB 3.42Å; T101-N105 PolarHBondContact O-N 2.89Å; T101-N105 PolarHBondContact O-ND2 3.32Å
102D90.8Very high92.6Very high125 Ų12567.6 Ų67.667%0.66839%0.385SS*.Hα-helixtrans-66.8-41.3179.8-62.2-35000112.3N100 N105 Q106N100-D102 VanDerWaalsContact C-N 3.32Å; N100-D102 PolarHBondContact O-N 2.89Å; D102-N105 WeakPolarHBondContact O-CB 3.27Å; D102-N105 PolarHBondContact O-N 2.91Å; D102-Q106 PolarHBondContact O-N 3.44Å; D102-Q106 VanDerWaalsContact O-N 3.13Å
103Q91.8Very high92.4Very high92 Ų9268.2 Ų68.243%0.4339%0.389SS..Hα-helixtrans-67.8-40.5177.4-64.5177.9-65.600111L99 N100 N105 Q106 L107L99-Q103 HydrophobicContact CD2-CB 3.75Å; N100-Q103 PolarHBondContact O-N 3.32Å; Q103-N105 VanDerWaalsContact C-N 3.3Å; Q103-N105 PolarHBondContact O-N 2.85Å; Q103-Q106 PolarHBondContact O-N 3.48Å; Q103-L107 WeakPolarHBondContact O-CG 3.46Å; Q103-L107 PolarHBondContact O-N 3.31Å; Q103-L107 VanDerWaalsContact O-N 3.13Å
104Q92Very high91.9Very high17 Ų1776.5 Ų76.58%0.07943%0.425CS..Hα-helixtrans-60.5-42174179.8-178.986.500111.4N100 T101 Q106 L107 L108 Q159 A162N100-Q104 PolarHBondContact O-N 3.49Å; T101-Q104 PolarHBondContact O-N 3.42Å; Q104-Q106 PolarHBondContact O-N 3.39Å; Q104-L107 PolarHBondContact O-N 3.44Å; Q104-L108 HydrophobicContact CG-CD1 3.92Å; Q104-L108 HydrophobicContact CG-CG 4.34Å; Q104-L108 VanDerWaalsContact O-CG 3.31Å; Q104-L108 WeakPolarHBondContact O-CG 3.35Å; Q104-L108 PolarHBondContact O-N 3.19Å; Q104-Q159 PolarHBondContact OE1-O 2.93Å; Q104-A162 HydrophobicContact CG-CB 4.34Å
105N91.7Very high91.3Very high34 Ų3476.2 Ų76.218%0.18242%0.423CS..Hα-helixtrans-59.4-46.1176.9-90.3-33.4000113.6T101 D102 Q103 L107 L108 E109 Q159T101-N105 WeakPolarHBondContact O-CB 3.42Å; T101-N105 PolarHBondContact O-N 2.89Å; T101-N105 PolarHBondContact O-ND2 3.32Å; D102-N105 WeakPolarHBondContact O-CB 3.27Å; D102-N105 PolarHBondContact O-N 2.91Å; Q103-N105 VanDerWaalsContact C-N 3.3Å; Q103-N105 PolarHBondContact O-N 2.85Å; N105-L107 VanDerWaalsContact C-N 3.3Å; N105-L107 PolarHBondContact O-N 3Å; N105-L108 PolarHBondContact O-N 2.99Å; N105-E109 WeakPolarHBondContact O-CB 3.3Å; N105-E109 PolarHBondContact O-N 3.19Å; N105-Q159 VanDerWaalsContact CG-CD 3.44Å; N105-Q159 PolarHBondContact ND2-NE2 3.45Å; N105-Q159 WeakPolarHBondContact OD1-CG 3.45Å; N105-Q159 PolarHBondContact OD1-NE2 2.96Å
106Q92.6Very high90.8Very high133 Ų13379.7 Ų79.762%0.62143%0.431SS*.Hα-helixtrans-60.8-41.4176.5-70-175.5-33.600111.8D102 Q103 Q104 E109 V110D102-Q106 PolarHBondContact O-N 3.44Å; D102-Q106 VanDerWaalsContact O-N 3.13Å; Q103-Q106 PolarHBondContact O-N 3.48Å; Q104-Q106 PolarHBondContact O-N 3.39Å; Q106-E109 PolarHBondContact O-N 2.84Å; Q106-V110 VanDerWaalsContact O-CG2 3.29Å; Q106-V110 WeakPolarHBondContact O-CG2 3.32Å; Q106-V110 PolarHBondContact O-N 3.17Å
107L90.9Very high90.3Very high105 Ų10582.9 Ų82.955%0.5545%0.449SS..Hα-helixtrans-64.3-42177-69.5170.7000112.1L99 Q103 Q104 N105 G111L99-L107 HydrophobicContact CD1-CD1 4.27Å; L99-L107 HydrophobicContact CD2-CD1 4.19Å; Q103-L107 WeakPolarHBondContact O-CG 3.46Å; Q103-L107 PolarHBondContact O-N 3.31Å; Q103-L107 VanDerWaalsContact O-N 3.13Å; Q104-L107 PolarHBondContact O-N 3.44Å; N105-L107 VanDerWaalsContact C-N 3.3Å; N105-L107 PolarHBondContact O-N 3Å; L107-G111 PolarHBondContact O-N 3.23Å
108L91.9Very high89.9Confident35 Ų3582.1 Ų82.118%0.18345%0.448CS..Hα-helixtrans-67.1-38.7177.4-69.8171000111.8Q104 N105 G111 W112 F131 L158 Q159 A162Q104-L108 HydrophobicContact CG-CD1 3.92Å; Q104-L108 HydrophobicContact CG-CG 4.34Å; Q104-L108 VanDerWaalsContact O-CG 3.31Å; Q104-L108 WeakPolarHBondContact O-CG 3.35Å; Q104-L108 PolarHBondContact O-N 3.19Å; N105-L108 PolarHBondContact O-N 2.99Å; L108-G111 PolarHBondContact O-N 2.99Å; L108-W112 VanDerWaalsContact O-CB 3.3Å; L108-W112 WeakPolarHBondContact O-CB 3.46Å; L108-W112 PolarHBondContact O-N 3.42Å; L108-F131 HydrophobicContact CB-CE2 3.88Å; L108-F131 HydrophobicContact CB-CZ 4Å; L108-L158 HydrophobicContact CD1-CB 4.05Å; L108-L158 HydrophobicContact CD2-CB 4.42Å; L108-L158 HydrophobicContact CD2-CD2 4.35Å; L108-Q159 HydrophobicContact CD1-CG 4.06Å; L108-A162 HydrophobicContact CD1-CB 4.16Å; L108-A162 HydrophobicContact CD2-CB 4.03Å
109E91.6Very high89.6Confident91 Ų9182.6 Ų82.643%0.42544%0.435SS..Hα-helixtrans-65.3-43.4177.1-169.6171-168.400111.7N105 Q106 G111 W112 N113 F131N105-E109 WeakPolarHBondContact O-CB 3.3Å; N105-E109 PolarHBondContact O-N 3.19Å; Q106-E109 PolarHBondContact O-N 2.84Å; E109-G111 VanDerWaalsContact C-N 3.31Å; E109-G111 PolarHBondContact O-N 3.47Å; E109-W112 WeakPolarHBondContact O-CB 3.22Å; E109-W112 PolarHBondContact O-N 2.89Å; E109-N113 PolarHBondContact O-N 3.32Å; E109-N113 VanDerWaalsContact O-N 3.1Å; E109-N113 PolarHBondContact O-ND2 3.28Å; E109-F131 HydrophobicContact CB-CD1 4.16Å; E109-F131 HydrophobicContact CB-CE1 3.48Å; E109-F131 VanDerWaalsContact CB-CE1 3.48Å; E109-F131 HydrophobicContact CB-CZ 3.72Å; E109-F131 HydrophobicContact CG-CD1 3.95Å; E109-F131 HydrophobicContact CG-CE1 3.72Å; E109-F131 HydrophobicContact CG-CZ 4.41Å
110V91Very high89.3Confident105 Ų10583.8 Ų83.864%0.63644%0.439SS*.Hα-helixtrans-61.9-41.1173.2171.80000110.9Q106 K114Q106-V110 VanDerWaalsContact O-CG2 3.29Å; Q106-V110 WeakPolarHBondContact O-CG2 3.32Å; Q106-V110 PolarHBondContact O-N 3.17Å; V110-K114 PolarHBondContact O-N 3.03Å
111G89.2Confident89Confident43 Ų4380.9 Ų80.944%0.44342%0.424SS..Hα-helixtrans-64.1-42.5175.300000113L107 L108 E109 N113 K114L107-G111 PolarHBondContact O-N 3.23Å; L108-G111 PolarHBondContact O-N 2.99Å; E109-G111 VanDerWaalsContact C-N 3.31Å; E109-G111 PolarHBondContact O-N 3.47Å; G111-N113 VanDerWaalsContact C-N 3.32Å; G111-N113 PolarHBondContact O-N 3.28Å; G111-K114 WeakPolarHBondContact O-CB 3.42Å; G111-K114 PolarHBondContact O-N 2.92Å
112W89.7Confident89Confident26 Ų2678.8 Ų78.810%0.09841%0.41CS..Hα-helixtrans-60.4-41179.2-173-91.8000112.1L108 E109 K114 R119 V122 E123 F131 C154 L158L108-W112 VanDerWaalsContact O-CB 3.3Å; L108-W112 WeakPolarHBondContact O-CB 3.46Å; L108-W112 PolarHBondContact O-N 3.42Å; E109-W112 WeakPolarHBondContact O-CB 3.22Å; E109-W112 PolarHBondContact O-N 2.89Å; W112-K114 VanDerWaalsContact C-N 3.27Å; W112-K114 PolarHBondContact O-N 3.17Å; W112-R119 HydrophobicContact CD2-CG 4.04Å; W112-R119 VanDerWaalsContact CE2-CD 3.42Å; W112-R119 HydrophobicContact CE3-CG 4.35Å; W112-R119 HydrophobicContact CH2-CG 3.69Å; W112-R119 HydrophobicContact CZ2-CG 3.33Å; W112-R119 HydrophobicContact CZ3-CG 4.19Å; W112-V122 HydrophobicContact CZ3-CB 4.44Å; W112-V122 HydrophobicContact CZ3-CG1 3.87Å; W112-E123 HydrophobicContact CH2-CG 3.71Å; W112-E123 HydrophobicContact CZ2-CG 4.23Å; W112-E123 WeakPolarHBondContact CZ2-OE1 3.25Å; W112-F131 HydrophobicContact CB-CD2 4.01Å; W112-F131 HydrophobicContact CB-CG 4.46Å; W112-F131 HydrophobicContact CD2-CB 3.99Å; W112-F131 AromaticContact CD2-CD2 3.91Å; W112-F131 HydrophobicContact CD2-CD2 3.91Å; W112-F131 HydrophobicContact CD2-CG 4.37Å; W112-F131 HydrophobicContact CE3-CD2 4.1Å; W112-F131 HydrophobicContact CG-CB 3.94Å; W112-F131 AromaticContact CG-CD2 3.89Å; W112-F131 HydrophobicContact CG-CD2 3.89Å; W112-F131 HydrophobicContact CG-CG 4.14Å; W112-F131 HydrophobicContact CZ2-CB 4.49Å; W112-C154 HydrophobicContact CH2-CB 3.68Å; W112-C154 VanDerWaalsContact CH2-SG 3.54Å; W112-C154 HydrophobicContact CZ3-CB 3.77Å; W112-L158 HydrophobicContact CE3-CD2 4.11Å; W112-L158 HydrophobicContact CZ3-CD2 4.24Å
113N90.1Very high89Confident119 Ų11973.4 Ų73.464%0.63638%0.381SS*.THydrogen-bonded Turntrans-80.2-3.6-179.2-68.3-31.8000114E109 G111E109-N113 PolarHBondContact O-N 3.32Å; E109-N113 VanDerWaalsContact O-N 3.1Å; E109-N113 PolarHBondContact O-ND2 3.28Å; G111-N113 VanDerWaalsContact C-N 3.32Å; G111-N113 PolarHBondContact O-N 3.28Å
114K86.6Confident89Confident180 Ų18074.2 Ų74.278%0.78338%0.383SS*.THydrogen-bonded Turntrans-85.9-33.4-173.7-171.5168.7-177.5170.80114.1V110 G111 W112V110-K114 PolarHBondContact O-N 3.03Å; G111-K114 WeakPolarHBondContact O-CB 3.42Å; G111-K114 PolarHBondContact O-N 2.92Å; W112-K114 VanDerWaalsContact C-N 3.27Å; W112-K114 PolarHBondContact O-N 3.17Å
115S83.1Confident88.8Confident41 Ų4178.9 Ų78.929%0.28741%0.413SS..  trans-148.1114-171.6176.70000111.4T118 R119S115-T118 WeakPolarHBondContact CB-OG1 3.42Å; S115-T118 PolarHBondContact O-N 2.83Å; S115-T118 PolarHBondContact OG-N 2.8Å; S115-T118 PolarHBondContact OG-OG1 3.36Å; S115-R119 PolarHBondContact O-N 2.92Å
116E85.3Confident88.7Confident124 Ų12479.9 Ų79.958%0.57942%0.418SS*.Hα-helixtrans-64.2-39.9176.8179.2161.7-133.500112.3T118 R119 E120E116-T118 VanDerWaalsContact C-N 3.34Å; E116-T118 PolarHBondContact O-N 3.03Å; E116-R119 WeakPolarHBondContact O-CB 3.39Å; E116-R119 PolarHBondContact O-N 2.87Å; E116-R119 VanDerWaalsContact O-N 3.14Å; E116-R119 IonicContact OE1-NH2 3.93Å; E116-R119 PolarHBondContact OE1-NH2 3.4Å; E116-E120 PolarHBondContact O-N 3.47Å
117V84.2Confident88.6Confident88 Ų8877.1 Ų77.153%0.53341%0.408SS..Hα-helixtrans-61.5-44.1177.5179.90000111R119 E120 D121V117-R119 VanDerWaalsContact C-N 3.29Å; V117-R119 PolarHBondContact O-N 3.43Å; V117-E120 PolarHBondContact O-N 3.39Å; V117-D121 PolarHBondContact O-N 3.49Å; V117-D121 VanDerWaalsContact O-N 3.11Å
118T84.5Confident88.7Confident61 Ų6172.1 Ų72.137%0.37438%0.382SS..Hα-helixtrans-65.8-37.2177.4-49.70000111S115 E116 D121 V122S115-T118 WeakPolarHBondContact CB-OG1 3.42Å; S115-T118 PolarHBondContact O-N 2.83Å; S115-T118 PolarHBondContact OG-N 2.8Å; S115-T118 PolarHBondContact OG-OG1 3.36Å; E116-T118 VanDerWaalsContact C-N 3.34Å; E116-T118 PolarHBondContact O-N 3.03Å; T118-D121 PolarHBondContact O-N 3.47Å; T118-V122 WeakPolarHBondContact O-CB 3.19Å; T118-V122 WeakPolarHBondContact O-CG2 3.49Å; T118-V122 PolarHBondContact O-N 3.25Å
119R88Confident88.6Confident78 Ų7870.8 Ų70.829%0.29438%0.375SS..Hα-helixtrans-60.8-50.4175.7-176.5-178.467.9-172-1.2111.1W112 S115 E116 V117 D121 V122 E123W112-R119 HydrophobicContact CD2-CG 4.04Å; W112-R119 VanDerWaalsContact CE2-CD 3.42Å; W112-R119 HydrophobicContact CE3-CG 4.35Å; W112-R119 HydrophobicContact CH2-CG 3.69Å; W112-R119 HydrophobicContact CZ2-CG 3.33Å; W112-R119 HydrophobicContact CZ3-CG 4.19Å; S115-R119 PolarHBondContact O-N 2.92Å; E116-R119 WeakPolarHBondContact O-CB 3.39Å; E116-R119 PolarHBondContact O-N 2.87Å; E116-R119 VanDerWaalsContact O-N 3.14Å; E116-R119 IonicContact OE1-NH2 3.93Å; E116-R119 PolarHBondContact OE1-NH2 3.4Å; V117-R119 VanDerWaalsContact C-N 3.29Å; V117-R119 PolarHBondContact O-N 3.43Å; R119-D121 VanDerWaalsContact C-N 3.31Å; R119-D121 PolarHBondContact O-N 3.37Å; R119-V122 PolarHBondContact O-N 3.49Å; R119-V122 VanDerWaalsContact O-N 3.16Å; R119-E123 HydrophobicContact CG-CG 4.41Å; R119-E123 WeakPolarHBondContact O-CG 3.32Å; R119-E123 PolarHBondContact O-N 2.91Å
120E87.9Confident88.6Confident74 Ų7467.1 Ų67.135%0.34636%0.362SS..Hα-helixtrans-60.6-40179.5-71.7-172.8-174.300112.6E116 V117 V122 E123 K124 P141E116-E120 PolarHBondContact O-N 3.47Å; V117-E120 PolarHBondContact O-N 3.39Å; E120-V122 VanDerWaalsContact C-N 3.33Å; E120-E123 PolarHBondContact O-N 2.84Å; E120-K124 WeakPolarHBondContact O-CB 3.25Å; E120-K124 VanDerWaalsContact O-CG 3.3Å; E120-K124 WeakPolarHBondContact O-CG 3.24Å; E120-K124 PolarHBondContact O-N 2.62Å; E120-K124 IonicContact OE2-NZ 2.99Å; E120-P141 HydrophobicContact CB-CG 4.03Å; E120-P141 HydrophobicContact CG-CG 4.14Å
121D86.9Confident88.5Confident47 Ų4763 Ų6325%0.25134%0.335SS..Hα-helixtrans-65.1-39.8177.1-74.1-24.2000111.6S41 V117 T118 R119 T125S41-D121 WeakPolarHBondContact CB-OD2 3.22Å; S41-D121 PolarHBondContact OG-OD2 2.85Å; V117-D121 PolarHBondContact O-N 3.49Å; V117-D121 VanDerWaalsContact O-N 3.11Å; T118-D121 PolarHBondContact O-N 3.47Å; R119-D121 VanDerWaalsContact C-N 3.31Å; R119-D121 PolarHBondContact O-N 3.37Å; D121-T125 WeakPolarHBondContact O-CB 3.26Å; D121-T125 PolarHBondContact O-N 3Å; D121-T125 PolarHBondContact O-OG1 3.49Å
122V89.5Confident88.5Confident36 Ų3664.8 Ų64.822%0.21834%0.341CS..Hα-helixtrans-65.3-46.8175.51700000110.9W112 T118 R119 E120 K124 T125 L126 L158W112-V122 HydrophobicContact CZ3-CB 4.44Å; W112-V122 HydrophobicContact CZ3-CG1 3.87Å; T118-V122 WeakPolarHBondContact O-CB 3.19Å; T118-V122 WeakPolarHBondContact O-CG2 3.49Å; T118-V122 PolarHBondContact O-N 3.25Å; R119-V122 PolarHBondContact O-N 3.49Å; R119-V122 VanDerWaalsContact O-N 3.16Å; E120-V122 VanDerWaalsContact C-N 3.33Å; V122-K124 VanDerWaalsContact C-N 3.35Å; V122-K124 PolarHBondContact O-N 3.07Å; V122-T125 PolarHBondContact O-N 2.84Å; V122-L126 HydrophobicContact CG1-CD1 3.88Å; V122-L126 WeakPolarHBondContact O-CB 3.36Å; V122-L126 PolarHBondContact O-N 2.95Å; V122-L158 HydrophobicContact CG1-CD1 3.71Å; V122-L158 HydrophobicContact CG1-CD2 4.39Å
123E90.8Very high88.4Confident12 Ų1267.9 Ų67.96%0.05637%0.367CS..Hα-helixtrans-59.8-43.3177.7-71.8178.2151.300111.5W112 R119 E120 D127 C128 G130 P141 A142W112-E123 HydrophobicContact CH2-CG 3.71Å; W112-E123 HydrophobicContact CZ2-CG 4.23Å; W112-E123 WeakPolarHBondContact CZ2-OE1 3.25Å; R119-E123 HydrophobicContact CG-CG 4.41Å; R119-E123 WeakPolarHBondContact O-CG 3.32Å; R119-E123 PolarHBondContact O-N 2.91Å; E120-E123 PolarHBondContact O-N 2.84Å; E123-D127 VanDerWaalsContact O-CA 3.32Å; E123-D127 WeakPolarHBondContact O-CA 3.45Å; E123-D127 PolarHBondContact O-N 3.04Å; E123-C128 WeakPolarHBondContact CA-O 3.49Å; E123-C128 WeakPolarHBondContact CB-O 3.32Å; E123-C128 WeakPolarHBondContact CG-O 3.16Å; E123-C128 PolarHBondContact O-N 3.28Å; E123-G130 PolarHBondContact OE1-N 3.05Å; E123-P141 HydrophobicContact CB-CG 4.07Å; E123-P141 VanDerWaalsContact OE2-CD 3.28Å; E123-P141 WeakPolarHBondContact OE2-CD 3.4Å; E123-A142 WeakPolarHBondContact O-CB 3.48Å
124K90.4Very high88.1Confident109 Ų10963.8 Ų63.847%0.47435%0.346SS..Hα-helixtrans-65.8-41.5174.9-73.1171.8-168161.50113E120 V122 P141E120-K124 WeakPolarHBondContact O-CB 3.25Å; E120-K124 VanDerWaalsContact O-CG 3.3Å; E120-K124 WeakPolarHBondContact O-CG 3.24Å; E120-K124 PolarHBondContact O-N 2.62Å; E120-K124 IonicContact OE2-NZ 2.99Å; V122-K124 VanDerWaalsContact C-N 3.35Å; V122-K124 PolarHBondContact O-N 3.07Å; K124-P141 HydrophobicContact CD-CB 4.17Å; K124-P141 HydrophobicContact CG-CB 3.74Å; K124-P141 HydrophobicContact CG-CG 4Å
125T89.2Confident88Confident115 Ų11560 Ų6071%0.70633%0.334SS*.Hα-helixtrans-77.7-38.3-172-57.60000112.3D121 V122D121-T125 WeakPolarHBondContact O-CB 3.26Å; D121-T125 PolarHBondContact O-N 3Å; D121-T125 PolarHBondContact O-OG1 3.49Å; V122-T125 PolarHBondContact O-N 2.84Å
126L89.6Confident87.7Confident55 Ų5564.5 Ų64.529%0.28835%0.351SS..Hα-helixtrans-98.1-0.4-178.1-61.3-179.9000113.4V122 C128 I157 L158 Y161V122-L126 HydrophobicContact CG1-CD1 3.88Å; V122-L126 WeakPolarHBondContact O-CB 3.36Å; V122-L126 PolarHBondContact O-N 2.95Å; L126-C128 VanDerWaalsContact C-N 3.29Å; L126-C128 PolarHBondContact O-N 3.02Å; L126-I157 HydrophobicContact CB-CG2 4.5Å; L126-I157 HydrophobicContact CD1-CG2 4.13Å; L126-I157 HydrophobicContact CD2-CG2 4.46Å; L126-L158 HydrophobicContact CD1-CD1 3.35Å; L126-Y161 HydrophobicContact CD2-CE2 4.28Å
127D90.8Very high87.2Confident75 Ų7564.8 Ų64.840%0.40136%0.361SS..THydrogen-bonded Turntrans49.348.3-179.6-156.834000113E123 R143 C144E123-D127 VanDerWaalsContact O-CA 3.32Å; E123-D127 WeakPolarHBondContact O-CA 3.45Å; E123-D127 PolarHBondContact O-N 3.04Å; D127-R143 WeakPolarHBondContact OD1-CA 3.39Å; D127-R143 WeakPolarHBondContact OD1-CB 3.45Å; D127-R143 PolarHBondContact OD1-N 2.91Å; D127-C144 PolarHBondContact OD1-N 3.24Å
128C91.6Very high87Confident0 Ų062.2 Ų62.20%035%0.353CS..  trans-131164.3-179.265.50000110E123 L126 A142 C154 I157E123-C128 WeakPolarHBondContact CA-O 3.49Å; E123-C128 WeakPolarHBondContact CB-O 3.32Å; E123-C128 WeakPolarHBondContact CG-O 3.16Å; E123-C128 PolarHBondContact O-N 3.28Å; L126-C128 VanDerWaalsContact C-N 3.29Å; L126-C128 PolarHBondContact O-N 3.02Å; C128-A142 WeakPolarHBondContact O-CB 3.22Å; C128-C154 HydrophobicContact CB-CB 4.01Å; C128-C154 WeakPolarHBondContact CB-SG 3Å; C128-C154 WeakPolarHBondContact SG-CA 3.49Å; C128-C154 WeakPolarHBondContact SG-CB 3.35Å; C128-C154 CovalentContact SG-SG 2.03Å; C128-C154 PolarHBondContact SG-SG 2.83Å; C128-I157 HydrophobicContact CB-CD1 3.93Å
129C91.6Very high86.9Confident7 Ų765 Ų655%0.04738%0.375CS..  trans-137.8133.3-177.8-162.80000113.6V134 C140 N152 C154C129-V134 HydrophobicContact CB-CG1 4.09Å; C129-V134 HydrophobicContact CB-CG2 4.31Å; C129-V134 WeakPolarHBondContact O-CG2 3.32Å; C129-C140 VanDerWaalsContact CA-SG 3.53Å; C129-C140 HydrophobicContact CB-CB 4.12Å; C129-C140 WeakPolarHBondContact CB-SG 3.08Å; C129-C140 WeakPolarHBondContact SG-CB 3.36Å; C129-C140 CovalentContact SG-SG 2.04Å; C129-C140 PolarHBondContact SG-SG 3.48Å; C129-N152 PolarHBondContact N-O 3.34Å; C129-C154 PolarHBondContact N-SG 3.2Å
130G89.7Confident86.9Confident14 Ų1462.1 Ų62.114%0.14437%0.366CS..SBendtrans66.8160-179.200000113.3E123 C154E123-G130 PolarHBondContact OE1-N 3.05Å; G130-C154 VanDerWaalsContact O-CB 3.26Å; G130-C154 WeakPolarHBondContact O-CB 3.44Å; G130-C154 PolarHBondContact O-N 3.46Å
131F90.6Very high86.9Confident19 Ų1961 Ų618%0.08337%0.365CS..SBendtrans-76-70.4-176.7-173.3-111.4000111.8L108 E109 W112 S153 S155L108-F131 HydrophobicContact CB-CE2 3.88Å; L108-F131 HydrophobicContact CB-CZ 4Å; E109-F131 HydrophobicContact CB-CD1 4.16Å; E109-F131 HydrophobicContact CB-CE1 3.48Å; E109-F131 VanDerWaalsContact CB-CE1 3.48Å; E109-F131 HydrophobicContact CB-CZ 3.72Å; E109-F131 HydrophobicContact CG-CD1 3.95Å; E109-F131 HydrophobicContact CG-CE1 3.72Å; E109-F131 HydrophobicContact CG-CZ 4.41Å; W112-F131 HydrophobicContact CB-CD2 4.01Å; W112-F131 HydrophobicContact CB-CG 4.46Å; W112-F131 HydrophobicContact CD2-CB 3.99Å; W112-F131 AromaticContact CD2-CD2 3.91Å; W112-F131 HydrophobicContact CD2-CD2 3.91Å; W112-F131 HydrophobicContact CD2-CG 4.37Å; W112-F131 HydrophobicContact CE3-CD2 4.1Å; W112-F131 HydrophobicContact CG-CB 3.94Å; W112-F131 AromaticContact CG-CD2 3.89Å; W112-F131 HydrophobicContact CG-CD2 3.89Å; W112-F131 HydrophobicContact CG-CG 4.14Å; W112-F131 HydrophobicContact CZ2-CB 4.49Å; F131-S153 WeakPolarHBondContact O-CB 3.36Å; F131-S155 WeakPolarHBondContact O-CA 3.5Å; F131-S155 WeakPolarHBondContact O-CB 3.31Å; F131-S155 PolarHBondContact O-N 2.93Å; F131-S155 PolarHBondContact O-OG 3.48Å
132S88.6Confident87Confident81 Ų8159 Ų5957%0.56636%0.356SS*.SBendtrans-94.4-30.8-178.4-57.60000113S153S132-S153 WeakPolarHBondContact O-CB 3.43Å; S132-S153 PolarHBondContact O-OG 2.85Å
133S86.8Confident86.9Confident90 Ų9067.8 Ų67.863%0.62939%0.385SS*.SBendtrans-143.3151.6-179.759.20000111.6
134V85.4Confident86.7Confident33 Ų3368 Ų6820%0.239%0.387CS..  trans-83.8120.9175.8-177.60000108.8C129 Q136 F145 C151C129-V134 HydrophobicContact CB-CG1 4.09Å; C129-V134 HydrophobicContact CB-CG2 4.31Å; C129-V134 WeakPolarHBondContact O-CG2 3.32Å; V134-Q136 PolarHBondContact O-N 3.39Å; V134-F145 HydrophobicContact CG1-CE2 4.32Å; V134-C151 WeakPolarHBondContact CG2-O 3.47Å
135N82.8Confident86.5Confident101 Ų10164.6 Ų64.654%0.5437%0.372SS..  trans-81.6104.7172.3-169.9-0.8000110T137 G138N135-T137 PolarHBondContact O-N 2.96Å; N135-T137 PolarHBondContact OD1-N 3.32Å; N135-T137 PolarHBondContact OD1-OG1 3.33Å; N135-G138 PolarHBondContact O-N 3.04Å
136Q76.6Confident86.3Confident135 Ų13563.4 Ų63.463%0.63137%0.374SS*.THydrogen-bonded Turntrans-67.9-21.6-175.8-63.4-178.41.400113.8V134V134-Q136 PolarHBondContact O-N 3.39Å
137T76.4Confident85.9Confident131 Ų13164.7 Ų64.780%0.80439%0.385SS*.THydrogen-bonded Turntrans-95.2-417854.40000113.1N135N135-T137 PolarHBondContact O-N 2.96Å; N135-T137 PolarHBondContact OD1-N 3.32Å; N135-T137 PolarHBondContact OD1-OG1 3.33Å
138G78.8Confident84.9Confident34 Ų3463.3 Ų63.335%0.35138%0.379SS..SBendtrans-83.4-174178.300000113.4N135 F145N135-G138 PolarHBondContact O-N 3.04Å; G138-F145 WeakPolarHBondContact O-CE1 3.4Å; G138-F145 WeakPolarHBondContact O-CZ 3.42Å
139S82.8Confident84.1Confident120 Ų12072.4 Ų72.484%0.83942%0.422SS*.  trans-113.1136.8166.960.20000109.4
140C87.9Confident83.5Confident17 Ų1775.8 Ų75.812%0.11545%0.446CS..  trans-133.1135.1178-151.10000109.6C129 A142 F145C129-C140 VanDerWaalsContact CA-SG 3.53Å; C129-C140 HydrophobicContact CB-CB 4.12Å; C129-C140 WeakPolarHBondContact CB-SG 3.08Å; C129-C140 WeakPolarHBondContact SG-CB 3.36Å; C129-C140 CovalentContact SG-SG 2.04Å; C129-C140 PolarHBondContact SG-SG 3.48Å; C140-A142 VanDerWaalsContact C-N 3.27Å; C140-A142 PolarHBondContact O-N 2.95Å; C140-F145 HydrophobicContact CB-CB 3.77Å; C140-F145 HydrophobicContact CB-CD1 3.89Å; C140-F145 HydrophobicContact CB-CD2 3.42Å; C140-F145 VanDerWaalsContact CB-CD2 3.42Å; C140-F145 HydrophobicContact CB-CE1 4.37Å; C140-F145 HydrophobicContact CB-CE2 3.95Å; C140-F145 HydrophobicContact CB-CG 3.4Å; C140-F145 HydrophobicContact CB-CZ 4.41Å
141P87.5Confident83.4Confident49 Ų4975.7 Ų75.732%0.31844%0.443SS..  trans-80.5-7.1-178.333-35.9000114.1E120 E123 K124E120-P141 HydrophobicContact CB-CG 4.03Å; E120-P141 HydrophobicContact CG-CG 4.14Å; E123-P141 HydrophobicContact CB-CG 4.07Å; E123-P141 VanDerWaalsContact OE2-CD 3.28Å; E123-P141 WeakPolarHBondContact OE2-CD 3.4Å; K124-P141 HydrophobicContact CD-CB 4.17Å; K124-P141 HydrophobicContact CG-CB 3.74Å; K124-P141 HydrophobicContact CG-CG 4Å
142A89Confident83.3Confident7 Ų779.9 Ų79.96%0.05847%0.466CS..SBendtrans-65.9149.7176.900000112.1E123 C128 C140 C144 F145E123-A142 WeakPolarHBondContact O-CB 3.48Å; C128-A142 WeakPolarHBondContact O-CB 3.22Å; C140-A142 VanDerWaalsContact C-N 3.27Å; C140-A142 PolarHBondContact O-N 2.95Å; A142-C144 VanDerWaalsContact C-N 3.35Å; A142-C144 VanDerWaalsContact CB-SG 3.57Å; A142-F145 WeakPolarHBondContact O-CB 3.32Å; A142-F145 PolarHBondContact O-N 3.21Å
143R87.3Confident83.4Confident220 Ų22077 Ų7783%0.8345%0.446SS*.G310 helixtrans-71.5-33.4179.2-65.9-179.8176.3166-0.2111.5D127 F145 A146D127-R143 WeakPolarHBondContact OD1-CA 3.39Å; D127-R143 WeakPolarHBondContact OD1-CB 3.45Å; D127-R143 PolarHBondContact OD1-N 2.91Å; R143-F145 PolarHBondContact O-N 3.36Å; R143-A146 WeakPolarHBondContact O-CB 3.24Å; R143-A146 PolarHBondContact O-N 2.9Å
144C87.4Confident83.7Confident15 Ų1572.7 Ų72.710%0.10142%0.416CS..G310 helixtrans-53.9-25.8174.573.60000112.8D127 A142 A146 T147 C151D127-C144 PolarHBondContact OD1-N 3.24Å; A142-C144 VanDerWaalsContact C-N 3.35Å; A142-C144 VanDerWaalsContact CB-SG 3.57Å; C144-A146 PolarHBondContact O-N 3.48Å; C144-T147 CarbonylContact O-C 3.53Å; C144-T147 PolarHBondContact O-N 3.47Å; C144-T147 VanDerWaalsContact O-N 3.12Å; C144-C151 HydrophobicContact CB-CB 3.57Å; C144-C151 WeakPolarHBondContact CB-SG 3.3Å; C144-C151 WeakPolarHBondContact SG-CB 3.28Å; C144-C151 CovalentContact SG-SG 2.04Å; C144-C151 PolarHBondContact SG-SG 3.21Å
145F86.9Confident84Confident38 Ų3871.7 Ų71.717%0.16741%0.41CS..G310 helixtrans-71.9-14.2-175.5-163.4-106.2000113.1V134 G138 C140 A142 R143 T147 P148V134-F145 HydrophobicContact CG1-CE2 4.32Å; G138-F145 WeakPolarHBondContact O-CE1 3.4Å; G138-F145 WeakPolarHBondContact O-CZ 3.42Å; C140-F145 HydrophobicContact CB-CB 3.77Å; C140-F145 HydrophobicContact CB-CD1 3.89Å; C140-F145 HydrophobicContact CB-CD2 3.42Å; C140-F145 VanDerWaalsContact CB-CD2 3.42Å; C140-F145 HydrophobicContact CB-CE1 4.37Å; C140-F145 HydrophobicContact CB-CE2 3.95Å; C140-F145 HydrophobicContact CB-CG 3.4Å; C140-F145 HydrophobicContact CB-CZ 4.41Å; A142-F145 WeakPolarHBondContact O-CB 3.32Å; A142-F145 PolarHBondContact O-N 3.21Å; R143-F145 PolarHBondContact O-N 3.36Å; F145-T147 PolarHBondContact O-N 3.06Å; F145-P148 WeakPolarHBondContact O-CD 3.3Å; F145-P148 WeakPolarHBondContact O-CG 3.4Å
146A84Confident84.2Confident90 Ų9073.3 Ų73.374%0.74442%0.415SS*.G310 helixtrans-59.6-27169.300000112.4R143 C144R143-A146 WeakPolarHBondContact O-CB 3.24Å; R143-A146 PolarHBondContact O-N 2.9Å; C144-A146 PolarHBondContact O-N 3.48Å
147T81.3Confident84.9Confident83 Ų8369.1 Ų69.151%0.50940%0.396SS..SBendtrans-128.180.6171.848.30000109.7C144 F145 Q149 S150C144-T147 CarbonylContact O-C 3.53Å; C144-T147 PolarHBondContact O-N 3.47Å; C144-T147 VanDerWaalsContact O-N 3.12Å; F145-T147 PolarHBondContact O-N 3.06Å; T147-Q149 PolarHBondContact O-N 2.96Å; T147-S150 PolarHBondContact O-N 3.32Å; T147-S150 PolarHBondContact O-OG 3.15Å; T147-S150 PolarHBondContact OG1-OG 2.87Å
148P69.9Low85.6Confident45 Ų4564 Ų6429%0.29236%0.364SS..G310 helixtrans-56.6-28.1-169-24.331.3000114.8F145 S150 C151F145-P148 WeakPolarHBondContact O-CD 3.3Å; F145-P148 WeakPolarHBondContact O-CG 3.4Å; P148-S150 VanDerWaalsContact C-N 3.25Å; P148-S150 PolarHBondContact O-N 2.97Å; P148-C151 PolarHBondContact O-N 3.37Å
149Q73.9Confident86.3Confident192 Ų19264.4 Ų64.490%0.89736%0.356SS*.G310 helixtrans-67.3-20.7178.3-96.8177.4-26.500114.3T147T147-Q149 PolarHBondContact O-N 2.96Å
150S79.8Confident86.7Confident78 Ų7865.3 Ų65.355%0.54535%0.347SS..G310 helixtrans-105.2-1.7179.565.60000113.4T147 P148T147-S150 PolarHBondContact O-N 3.32Å; T147-S150 PolarHBondContact O-OG 3.15Å; T147-S150 PolarHBondContact OG1-OG 2.87Å; P148-S150 VanDerWaalsContact C-N 3.25Å; P148-S150 PolarHBondContact O-N 2.97Å
151C87.1Confident86.8Confident11 Ų1171.4 Ų71.47%0.07437%0.369CS..PPolyproline II helixtrans-84.7135.5179.7-166.50000111V134 C144 P148V134-C151 WeakPolarHBondContact CG2-O 3.47Å; C144-C151 HydrophobicContact CB-CB 3.57Å; C144-C151 WeakPolarHBondContact CB-SG 3.3Å; C144-C151 WeakPolarHBondContact SG-CB 3.28Å; C144-C151 CovalentContact SG-SG 2.04Å; C144-C151 PolarHBondContact SG-SG 3.21Å; P148-C151 PolarHBondContact O-N 3.37Å
152N89.4Confident87.1Confident108 Ų10870.1 Ų70.158%0.57836%0.362SS*.PPolyproline II helixtrans-92.4158.8179-64.8-33.7000111.3C129C129-N152 PolarHBondContact N-O 3.34Å
153S90.9Very high87.3Confident20 Ų2070.4 Ų70.414%0.1437%0.366CS..PPolyproline II helixtrans-74148.2172.263.30000111.5F131 S132 S155F131-S153 WeakPolarHBondContact O-CB 3.36Å; S132-S153 WeakPolarHBondContact O-CB 3.43Å; S132-S153 PolarHBondContact O-OG 2.85Å; S153-S155 PolarHBondContact O-N 3.14Å
154C92.3Very high87.5Confident0 Ų064.2 Ų64.20%035%0.35CS..Hα-helixtrans-74.2-23.8-176.2-68.20000113.4W112 C128 C129 G130 Q156 I157 L158W112-C154 HydrophobicContact CH2-CB 3.68Å; W112-C154 VanDerWaalsContact CH2-SG 3.54Å; W112-C154 HydrophobicContact CZ3-CB 3.77Å; C128-C154 HydrophobicContact CB-CB 4.01Å; C128-C154 WeakPolarHBondContact CB-SG 3Å; C128-C154 WeakPolarHBondContact SG-CA 3.49Å; C128-C154 WeakPolarHBondContact SG-CB 3.35Å; C128-C154 CovalentContact SG-SG 2.03Å; C128-C154 PolarHBondContact SG-SG 2.83Å; C129-C154 PolarHBondContact N-SG 3.2Å; G130-C154 VanDerWaalsContact O-CB 3.26Å; G130-C154 WeakPolarHBondContact O-CB 3.44Å; G130-C154 PolarHBondContact O-N 3.46Å; C154-Q156 PolarHBondContact O-N 3.09Å; C154-I157 PolarHBondContact O-N 3.11Å; C154-L158 HydrophobicContact CB-CD1 4.1Å; C154-L158 WeakPolarHBondContact O-CB 3.42Å; C154-L158 WeakPolarHBondContact O-CD1 3.45Å; C154-L158 PolarHBondContact O-N 3.09Å
155S91.4Very high87.8Confident12 Ų1267.5 Ų67.58%0.08437%0.369CS..Hα-helixtrans-57.6-45-17453.10000113.6F131 S153 I157 L158 Q159F131-S155 WeakPolarHBondContact O-CA 3.5Å; F131-S155 WeakPolarHBondContact O-CB 3.31Å; F131-S155 PolarHBondContact O-N 2.93Å; F131-S155 PolarHBondContact O-OG 3.48Å; S153-S155 PolarHBondContact O-N 3.14Å; S155-I157 PolarHBondContact O-N 3.16Å; S155-L158 PolarHBondContact O-N 2.67Å; S155-Q159 WeakPolarHBondContact O-CB 3.49Å; S155-Q159 WeakPolarHBondContact O-CG 3.43Å; S155-Q159 PolarHBondContact O-N 3.26Å
156Q87.9Confident88.2Confident135 Ų13567.9 Ų67.963%0.63137%0.373SS*.Hα-helixtrans-64.4-42.9-179.4-64.9-169.7-50.800111.9C154 Q160C154-Q156 PolarHBondContact O-N 3.09Å; Q156-Q160 PolarHBondContact O-N 3.2Å
157I90.9Very high88.7Confident46 Ų4671.5 Ų71.524%0.23637%0.367CS..Hα-helixtrans-66-49.6179.2-54.6-179.8000109.1L126 C128 C154 S155 Q159 Q160 Y161L126-I157 HydrophobicContact CB-CG2 4.5Å; L126-I157 HydrophobicContact CD1-CG2 4.13Å; L126-I157 HydrophobicContact CD2-CG2 4.46Å; C128-I157 HydrophobicContact CB-CD1 3.93Å; C154-I157 PolarHBondContact O-N 3.11Å; S155-I157 PolarHBondContact O-N 3.16Å; I157-Q159 PolarHBondContact O-N 3.49Å; I157-Q160 PolarHBondContact O-N 3.31Å; I157-Y161 HydrophobicContact CG2-CD2 3.64Å; I157-Y161 HydrophobicContact CG2-CE2 3.5Å; I157-Y161 WeakPolarHBondContact O-CD2 3.28Å; I157-Y161 PolarHBondContact O-N 2.97Å; I157-Y161 VanDerWaalsContact O-N 3.11Å
158L91.9Very high89.3Confident25 Ų2574.4 Ų74.413%0.13137%0.373CS..Hα-helixtrans-60.9-41.8179-97.567000112.6L108 W112 V122 L126 C154 S155 Q160 A162L108-L158 HydrophobicContact CD1-CB 4.05Å; L108-L158 HydrophobicContact CD2-CB 4.42Å; L108-L158 HydrophobicContact CD2-CD2 4.35Å; W112-L158 HydrophobicContact CE3-CD2 4.11Å; W112-L158 HydrophobicContact CZ3-CD2 4.24Å; V122-L158 HydrophobicContact CG1-CD1 3.71Å; V122-L158 HydrophobicContact CG1-CD2 4.39Å; L126-L158 HydrophobicContact CD1-CD1 3.35Å; C154-L158 HydrophobicContact CB-CD1 4.1Å; C154-L158 WeakPolarHBondContact O-CB 3.42Å; C154-L158 WeakPolarHBondContact O-CD1 3.45Å; C154-L158 PolarHBondContact O-N 3.09Å; S155-L158 PolarHBondContact O-N 2.67Å; L158-Q160 PolarHBondContact O-N 2.92Å; L158-A162 WeakPolarHBondContact O-CB 3.45Å; L158-A162 PolarHBondContact O-N 3.09Å
159Q91.8Very high90.5Very high41 Ų4176 Ų7619%0.19238%0.382CS..Hα-helixtrans-56.6-51176.4-81.116943.900111.1Q104 N105 L108 S155 I157 Y161 A162 G163Q104-Q159 PolarHBondContact OE1-O 2.93Å; N105-Q159 VanDerWaalsContact CG-CD 3.44Å; N105-Q159 PolarHBondContact ND2-NE2 3.45Å; N105-Q159 WeakPolarHBondContact OD1-CG 3.45Å; N105-Q159 PolarHBondContact OD1-NE2 2.96Å; L108-Q159 HydrophobicContact CD1-CG 4.06Å; S155-Q159 WeakPolarHBondContact O-CB 3.49Å; S155-Q159 WeakPolarHBondContact O-CG 3.43Å; S155-Q159 PolarHBondContact O-N 3.26Å; I157-Q159 PolarHBondContact O-N 3.49Å; Q159-Y161 PolarHBondContact O-N 3.46Å; Q159-A162 PolarHBondContact O-N 2.96Å; Q159-G163 PolarHBondContact O-N 3.39Å
160Q91.4Very high91.5Very high139 Ų13967 Ų6765%0.6534%0.339SS*.Hα-helixtrans-61.4-50.2-177.4-171.9176.9-23.500111.2Q156 I157 L158 A162 G163 D164Q156-Q160 PolarHBondContact O-N 3.2Å; I157-Q160 PolarHBondContact O-N 3.31Å; L158-Q160 PolarHBondContact O-N 2.92Å; Q160-A162 PolarHBondContact O-N 3.09Å; Q160-G163 PolarHBondContact O-N 2.82Å; Q160-D164 PolarHBondContact O-N 3.19Å; Q160-D164 VanDerWaalsContact O-N 3.1Å
161Y91.6Very high92.3Very high146 Ų14664.8 Ų64.857%0.57333%0.33SS*.Hα-helixtrans-62.9-43.7177.7-78.6-72.3000112.5L126 I157 Q159 G163 D164 V165L126-Y161 HydrophobicContact CD2-CE2 4.28Å; I157-Y161 HydrophobicContact CG2-CD2 3.64Å; I157-Y161 HydrophobicContact CG2-CE2 3.5Å; I157-Y161 WeakPolarHBondContact O-CD2 3.28Å; I157-Y161 PolarHBondContact O-N 2.97Å; I157-Y161 VanDerWaalsContact O-N 3.11Å; Q159-Y161 PolarHBondContact O-N 3.46Å; Y161-G163 VanDerWaalsContact C-N 3.32Å; Y161-G163 PolarHBondContact O-N 3.16Å; Y161-D164 PolarHBondContact O-N 3.42Å; Y161-V165 WeakPolarHBondContact O-CB 3.46Å; Y161-V165 WeakPolarHBondContact O-CG2 3.35Å; Y161-V165 PolarHBondContact O-N 3.44Å
162A92.5Very high92.6Very high21 Ų2167.6 Ų67.617%0.17434%0.343CS..Hα-helixtrans-64.3-38.3178.800000111.4Q104 L108 L158 Q159 Q160 L166Q104-A162 HydrophobicContact CG-CB 4.34Å; L108-A162 HydrophobicContact CD1-CB 4.16Å; L108-A162 HydrophobicContact CD2-CB 4.03Å; L158-A162 WeakPolarHBondContact O-CB 3.45Å; L158-A162 PolarHBondContact O-N 3.09Å; Q159-A162 PolarHBondContact O-N 2.96Å; Q160-A162 PolarHBondContact O-N 3.09Å; A162-L166 WeakPolarHBondContact O-CB 3.44Å; A162-L166 WeakPolarHBondContact O-CD1 3.43Å; A162-L166 WeakPolarHBondContact O-CG 3.27Å; A162-L166 PolarHBondContact O-N 3.03Å
163G93.3Very high92.9Very high14 Ų1462.9 Ų62.914%0.14432%0.32CS..Hα-helixtrans-62-48.9176.700000112.4Q159 Q160 Y161 L166 R167Q159-G163 PolarHBondContact O-N 3.39Å; Q160-G163 PolarHBondContact O-N 2.82Å; Y161-G163 VanDerWaalsContact C-N 3.32Å; Y161-G163 PolarHBondContact O-N 3.16Å; G163-L166 PolarHBondContact O-N 3.41Å; G163-R167 WeakPolarHBondContact O-CB 3.38Å; G163-R167 VanDerWaalsContact O-CG 3.32Å; G163-R167 WeakPolarHBondContact O-CG 3.46Å; G163-R167 PolarHBondContact O-N 3.29Å
164D92.5Very high93.1Very high90 Ų9063.5 Ų63.548%0.48132%0.322SS..Hα-helixtrans-64.2-43.7179.3-69.5-21.3000111.3Q160 Y161 F168Q160-D164 PolarHBondContact O-N 3.19Å; Q160-D164 VanDerWaalsContact O-N 3.1Å; Y161-D164 PolarHBondContact O-N 3.42Å; D164-F168 WeakPolarHBondContact O-CB 3.35Å; D164-F168 PolarHBondContact O-N 2.75Å
165V93.4Very high93.2Very high84 Ų8469.9 Ų69.951%0.50935%0.35SS..Hα-helixtrans-65.5-44.9177.7172.70000111.5Y161 R167 F168 V169Y161-V165 WeakPolarHBondContact O-CB 3.46Å; Y161-V165 WeakPolarHBondContact O-CG2 3.35Å; Y161-V165 PolarHBondContact O-N 3.44Å; V165-R167 PolarHBondContact O-N 2.72Å; V165-F168 PolarHBondContact O-N 3.17Å; V165-V169 HydrophobicContact CG1-CG2 3.98Å; V165-V169 WeakPolarHBondContact O-CB 3.43Å; V165-V169 VanDerWaalsContact O-CG2 3.25Å; V165-V169 WeakPolarHBondContact O-CG2 3.48Å; V165-V169 PolarHBondContact O-N 2.92Å
166L94.1Very high93.3Very high46 Ų4672.3 Ų72.324%0.24136%0.359CS..Hα-helixtrans-63.4-41.1179.8-75.8168000111.8C96 L99 A162 G163 G170C96-L166 HydrophobicContact CB-CB 4.42Å; C96-L166 HydrophobicContact CB-CD2 4.27Å; L99-L166 HydrophobicContact CD1-CD1 4.03Å; A162-L166 WeakPolarHBondContact O-CB 3.44Å; A162-L166 WeakPolarHBondContact O-CD1 3.43Å; A162-L166 WeakPolarHBondContact O-CG 3.27Å; A162-L166 PolarHBondContact O-N 3.03Å; G163-L166 PolarHBondContact O-N 3.41Å; L166-G170 PolarHBondContact O-N 3.44Å
167R94.8Very high93.6Very high166 Ų16666 Ų6663%0.62633%0.329SS*.Hα-helixtrans-64.5-43.3175.4-73.6174.2176.8172.60.3111.7G163 V165 G171G163-R167 WeakPolarHBondContact O-CB 3.38Å; G163-R167 VanDerWaalsContact O-CG 3.32Å; G163-R167 WeakPolarHBondContact O-CG 3.46Å; G163-R167 PolarHBondContact O-N 3.29Å; V165-R167 PolarHBondContact O-N 2.72Å; R167-G171 PolarHBondContact O-N 3.4Å
168F95.3Very high93.7Very high144 Ų14470 Ų7063%0.63235%0.345SS*.Hα-helixtrans-64.9-51.1177.8-178.8-104.3000112D164 V165 G171 I172D164-F168 WeakPolarHBondContact O-CB 3.35Å; D164-F168 PolarHBondContact O-N 2.75Å; V165-F168 PolarHBondContact O-N 3.17Å; F168-G171 PolarHBondContact O-N 2.81Å; F168-I172 HydrophobicContact CD1-CD1 3.81Å; F168-I172 HydrophobicContact CE1-CD1 3.28Å; F168-I172 HydrophobicContact CE1-CG1 4.48Å; F168-I172 HydrophobicContact CE2-CD1 4.19Å; F168-I172 HydrophobicContact CG-CD1 4.46Å; F168-I172 HydrophobicContact CZ-CD1 3.51Å; F168-I172 HydrophobicContact CZ-CG1 4.48Å; F168-I172 WeakPolarHBondContact O-CG1 3.37Å; F168-I172 PolarHBondContact O-N 3.36Å
169V93.9Very high93.7Very high79 Ų7970.3 Ų70.348%0.47935%0.348SS..Hα-helixtrans-64.2-42.9179.8171.90000111.1V165 G171 I172 G173V165-V169 HydrophobicContact CG1-CG2 3.98Å; V165-V169 WeakPolarHBondContact O-CB 3.43Å; V165-V169 VanDerWaalsContact O-CG2 3.25Å; V165-V169 WeakPolarHBondContact O-CG2 3.48Å; V165-V169 PolarHBondContact O-N 2.92Å; V169-G171 VanDerWaalsContact C-N 3.3Å; V169-G171 PolarHBondContact O-N 3.28Å; V169-I172 PolarHBondContact O-N 3.5Å; V169-G173 PolarHBondContact O-N 2.92Å
170G95.7Very high93.8Very high1 Ų168.8 Ų68.81%0.0134%0.341CS..Hα-helixtrans-65.4-33.7175.300000112.4S93 L166 G173 L174S93-G170 WeakPolarHBondContact CB-O 3.44Å; L166-G170 PolarHBondContact O-N 3.44Å; G170-G173 PolarHBondContact O-N 2.93Å; G170-L174 WeakPolarHBondContact O-CB 3.14Å; G170-L174 PolarHBondContact O-N 2.87Å
171G95.5Very high93.9Very high33 Ų3365.1 Ų65.134%0.3433%0.326SS..Hα-helixtrans-64.2-45.2173.700000112R167 F168 V169 L174 F175R167-G171 PolarHBondContact O-N 3.4Å; F168-G171 PolarHBondContact O-N 2.81Å; V169-G171 VanDerWaalsContact C-N 3.3Å; V169-G171 PolarHBondContact O-N 3.28Å; G171-L174 PolarHBondContact O-N 3.11Å; G171-F175 PolarHBondContact O-N 3.2Å
172I94.9Very high94.1Very high69 Ų6963 Ų6335%0.35432%0.324SS..Hα-helixtrans-60.9-46.9173.8-70.6172.2000110.7F168 V169 L174 F175 F176F168-I172 HydrophobicContact CD1-CD1 3.81Å; F168-I172 HydrophobicContact CE1-CD1 3.28Å; F168-I172 HydrophobicContact CE1-CG1 4.48Å; F168-I172 HydrophobicContact CE2-CD1 4.19Å; F168-I172 HydrophobicContact CG-CD1 4.46Å; F168-I172 HydrophobicContact CZ-CD1 3.51Å; F168-I172 HydrophobicContact CZ-CG1 4.48Å; F168-I172 WeakPolarHBondContact O-CG1 3.37Å; F168-I172 PolarHBondContact O-N 3.36Å; V169-I172 PolarHBondContact O-N 3.5Å; I172-L174 VanDerWaalsContact C-N 3.34Å; I172-L174 PolarHBondContact O-N 2.91Å; I172-F175 WeakPolarHBondContact O-CB 3.33Å; I172-F175 PolarHBondContact O-N 3.49Å; I172-F175 VanDerWaalsContact O-N 3.16Å; I172-F176 HydrophobicContact CG2-CD2 3.57Å; I172-F176 HydrophobicContact CG2-CE2 3.61Å; I172-F176 WeakPolarHBondContact O-CD2 3.28Å; I172-F176 PolarHBondContact O-N 2.83Å
173G95.2Very high94.2Very high10 Ų1062 Ų6210%0.10332%0.315CS..Hα-helixtrans-61.3-39.7179.200000112.8Q89 S93 V169 G170 F176 S177Q89-G173 PolarHBondContact NE2-O 3.39Å; S93-G173 VanDerWaalsContact OG-CA 3.26Å; S93-G173 WeakPolarHBondContact OG-CA 3.45Å; V169-G173 PolarHBondContact O-N 2.92Å; G170-G173 PolarHBondContact O-N 2.93Å; G173-F176 PolarHBondContact O-N 3.5Å; G173-S177 WeakPolarHBondContact O-CB 3.4Å; G173-S177 PolarHBondContact O-N 3.26Å; G173-S177 PolarHBondContact O-OG 3.02Å
174L95.3Very high94.3Very high33 Ų3362.3 Ų62.317%0.17331%0.314CS..Hα-helixtrans-62.5-45.9171.9-81.8174.5000111.9F90 S93 L97 G170 G171 I172 F176 S177 F178F90-L174 HydrophobicContact CD2-CD2 3.65Å; F90-L174 HydrophobicContact CE2-CD2 3.73Å; S93-L174 PolarHBondContact OG-N 2.91Å; L97-L174 HydrophobicContact CD1-CD1 4.38Å; L97-L174 HydrophobicContact CD2-CD1 3.74Å; G170-L174 WeakPolarHBondContact O-CB 3.14Å; G170-L174 PolarHBondContact O-N 2.87Å; G171-L174 PolarHBondContact O-N 3.11Å; I172-L174 VanDerWaalsContact C-N 3.34Å; I172-L174 PolarHBondContact O-N 2.91Å; L174-F176 PolarHBondContact O-N 2.72Å; L174-S177 WeakPolarHBondContact O-CB 3.22Å; L174-S177 PolarHBondContact O-N 3.49Å; L174-S177 VanDerWaalsContact O-N 3.17Å; L174-F178 WeakPolarHBondContact O-CD2 3.48Å; L174-F178 PolarHBondContact O-N 3.43Å
175F94.4Very high94.4Very high133 Ų13364.7 Ų64.758%0.58332%0.317SS*.Hα-helixtrans-57.6-48.4176.8174.8-96.6000111.8G171 I172 S177 F178 T179G171-F175 PolarHBondContact O-N 3.2Å; I172-F175 WeakPolarHBondContact O-CB 3.33Å; I172-F175 PolarHBondContact O-N 3.49Å; I172-F175 VanDerWaalsContact O-N 3.16Å; F175-S177 VanDerWaalsContact C-N 3.31Å; F175-S177 PolarHBondContact O-N 3.08Å; F175-F178 WeakPolarHBondContact O-CB 3.25Å; F175-F178 PolarHBondContact O-N 3.47Å; F175-T179 HydrophobicContact CE1-CG2 4.22Å; F175-T179 HydrophobicContact CZ-CG2 4.46Å; F175-T179 PolarHBondContact O-N 3.35Å
176F92.8Very high94.4Very high64 Ų6462 Ų6228%0.28130%0.3SS..Hα-helixtrans-64-35.8177-85.8-76.5000112.2I172 G173 L174 F178 T179 E180I172-F176 HydrophobicContact CG2-CD2 3.57Å; I172-F176 HydrophobicContact CG2-CE2 3.61Å; I172-F176 WeakPolarHBondContact O-CD2 3.28Å; I172-F176 PolarHBondContact O-N 2.83Å; G173-F176 PolarHBondContact O-N 3.5Å; L174-F176 PolarHBondContact O-N 2.72Å; F176-F178 PolarHBondContact O-N 2.92Å; F176-T179 WeakPolarHBondContact O-CA 3.41Å; F176-T179 WeakPolarHBondContact O-CB 3.4Å; F176-T179 PolarHBondContact O-N 3.44Å; F176-T179 PolarHBondContact O-OG1 3.41Å; F176-E180 WeakPolarHBondContact O-CG 3.35Å; F176-E180 PolarHBondContact O-N 3.47Å
177S95Very high94.4Very high1 Ų159.9 Ų59.91%0.00729%0.288CS..Hα-helixtrans-58.6-36.3175.6-56.10000111.5F86 F90 G173 L174 F175 E180 I181F86-S177 WeakPolarHBondContact CD2-O 3.5Å; F90-S177 PolarHBondContact N-OG 2.89Å; G173-S177 WeakPolarHBondContact O-CB 3.4Å; G173-S177 PolarHBondContact O-N 3.26Å; G173-S177 PolarHBondContact O-OG 3.02Å; L174-S177 WeakPolarHBondContact O-CB 3.22Å; L174-S177 PolarHBondContact O-N 3.49Å; L174-S177 VanDerWaalsContact O-N 3.17Å; F175-S177 VanDerWaalsContact C-N 3.31Å; F175-S177 PolarHBondContact O-N 3.08Å; S177-E180 PolarHBondContact O-N 3.41Å; S177-I181 PolarHBondContact O-N 3.2Å; S177-I181 VanDerWaalsContact O-N 3.09Å
178F92.3Very high94.3Very high130 Ų13056.6 Ų56.657%0.5728%0.28SS*.Hα-helixtrans-66.1-36.3172.7-71.2-66.8000112.9L174 F175 F176 E180 I181 L182L174-F178 WeakPolarHBondContact O-CD2 3.48Å; L174-F178 PolarHBondContact O-N 3.43Å; F175-F178 WeakPolarHBondContact O-CB 3.25Å; F175-F178 PolarHBondContact O-N 3.47Å; F176-F178 PolarHBondContact O-N 2.92Å; F178-E180 VanDerWaalsContact C-N 3.31Å; F178-I181 WeakPolarHBondContact O-CG2 3.44Å; F178-L182 VanDerWaalsContact O-CG 3.31Å; F178-L182 WeakPolarHBondContact O-CG 3.36Å; F178-L182 PolarHBondContact O-N 3.38Å
179T91.8Very high94.1Very high32 Ų3253.8 Ų53.820%0.19627%0.267CS..Hα-helixtrans-68-33.8174.972.80000112Y20 F175 F176 L182 G183Y20-T179 PolarHBondContact OH-OG1 3.07Å; Y20-T179 VanDerWaalsContact OH-OG1 3.09Å; F175-T179 HydrophobicContact CE1-CG2 4.22Å; F175-T179 HydrophobicContact CZ-CG2 4.46Å; F175-T179 PolarHBondContact O-N 3.35Å; F176-T179 WeakPolarHBondContact O-CA 3.41Å; F176-T179 WeakPolarHBondContact O-CB 3.4Å; F176-T179 PolarHBondContact O-N 3.44Å; F176-T179 PolarHBondContact O-OG1 3.41Å; T179-L182 WeakPolarHBondContact O-CB 3.27Å; T179-L182 PolarHBondContact O-N 3.18Å; T179-G183 PolarHBondContact O-N 2.85Å
180E93.9Very high93.9Very high9 Ų950 Ų504%0.04224%0.244CC..Hα-helixtrans-70.5-43.9179.6-70173.8159.800111.9V85 F86 F176 S177 F178 L182 G183 V184V85-E180 WeakPolarHBondContact CG1-OE1 3.37Å; F86-E180 VanDerWaalsContact CA-OE2 3.25Å; F86-E180 WeakPolarHBondContact CA-OE2 3.25Å; F86-E180 HydrophobicContact CB-CB 4.21Å; F86-E180 PolarHBondContact N-OE2 3.4Å; F176-E180 WeakPolarHBondContact O-CG 3.35Å; F176-E180 PolarHBondContact O-N 3.47Å; S177-E180 PolarHBondContact O-N 3.41Å; F178-E180 VanDerWaalsContact C-N 3.31Å; E180-L182 VanDerWaalsContact C-N 3.28Å; E180-L182 PolarHBondContact O-N 2.91Å; E180-G183 CarbonylContact O-C 3.36Å; E180-G183 WeakPolarHBondContact O-CA 3.47Å; E180-G183 PolarHBondContact O-N 3.26Å; E180-V184 WeakPolarHBondContact O-CG2 3.17Å; E180-V184 PolarHBondContact O-N 3.28Å
181I94.8Very high93.6Very high63 Ų6352.6 Ų52.632%0.32325%0.254SS..Hα-helixtrans-63.7-36175.3-169.364000111.6F86 S177 F178 G183 V184 W185F86-I181 HydrophobicContact CD2-CB 4.32Å; F86-I181 HydrophobicContact CE2-CB 4.23Å; S177-I181 PolarHBondContact O-N 3.2Å; S177-I181 VanDerWaalsContact O-N 3.09Å; F178-I181 WeakPolarHBondContact O-CG2 3.44Å; I181-G183 VanDerWaalsContact C-N 3.34Å; I181-V184 PolarHBondContact O-N 2.83Å; I181-W185 WeakPolarHBondContact O-CB 3.49Å; I181-W185 PolarHBondContact O-N 3.32Å
182L93.8Very high93.2Very high101 Ų10156.4 Ų56.453%0.52927%0.266SS..Hα-helixtrans-63.5-41170.3-71.6173.7000111.3F178 T179 E180 W185 L186F178-L182 VanDerWaalsContact O-CG 3.31Å; F178-L182 WeakPolarHBondContact O-CG 3.36Å; F178-L182 PolarHBondContact O-N 3.38Å; T179-L182 WeakPolarHBondContact O-CB 3.27Å; T179-L182 PolarHBondContact O-N 3.18Å; E180-L182 VanDerWaalsContact C-N 3.28Å; E180-L182 PolarHBondContact O-N 2.91Å; L182-W185 PolarHBondContact O-N 2.93Å; L182-L186 WeakPolarHBondContact O-CB 3.46Å; L182-L186 VanDerWaalsContact O-CG 3.26Å; L182-L186 WeakPolarHBondContact O-CG 3.44Å; L182-L186 PolarHBondContact O-N 3.38Å
183G94.7Very high92.8Very high0 Ų054.9 Ų54.90%026%0.259CS..Hα-helixtrans-60.1-43.8173.600000113.1T179 E180 I181 L186 T187T179-G183 PolarHBondContact O-N 2.85Å; E180-G183 CarbonylContact O-C 3.36Å; E180-G183 WeakPolarHBondContact O-CA 3.47Å; E180-G183 PolarHBondContact O-N 3.26Å; I181-G183 VanDerWaalsContact C-N 3.34Å; G183-L186 PolarHBondContact O-N 3.45Å; G183-T187 WeakPolarHBondContact O-CB 3.42Å; G183-T187 PolarHBondContact O-N 3.43Å; G183-T187 PolarHBondContact O-OG1 2.9Å
184V96.2Very high91.9Very high20 Ų2062 Ų6212%0.12129%0.287CS..Hα-helixtrans-60.9-48.7174173.10000110.1M79 L82 F83 E180 I181 T187 H188M79-V184 HydrophobicContact CG-CG1 3.93Å; L82-V184 HydrophobicContact CB-CG2 3.68Å; L82-V184 HydrophobicContact CD1-CG2 4.4Å; F83-V184 HydrophobicContact CB-CG2 4.33Å; E180-V184 WeakPolarHBondContact O-CG2 3.17Å; E180-V184 PolarHBondContact O-N 3.28Å; I181-V184 PolarHBondContact O-N 2.83Å; V184-T187 PolarHBondContact O-N 3.36Å; V184-H188 WeakPolarHBondContact O-CB 3.28Å; V184-H188 PolarHBondContact O-N 3.37Å
185W94.6Very high90.8Very high140 Ų14062.6 Ų62.653%0.5329%0.29SS..Hα-helixtrans-61.6-45.8178.8178.686.3000112.5I181 L182 T187 H188 K189I181-W185 WeakPolarHBondContact O-CB 3.49Å; I181-W185 PolarHBondContact O-N 3.32Å; L182-W185 PolarHBondContact O-N 2.93Å; W185-T187 VanDerWaalsContact C-N 3.31Å; W185-T187 PolarHBondContact O-N 3.34Å; W185-H188 PolarHBondContact O-N 3.38Å; W185-K189 HydrophobicContact CH2-CD 3.85Å; W185-K189 HydrophobicContact CZ2-CD 4.09Å; W185-K189 HydrophobicContact CZ3-CD 4.26Å; W185-K189 WeakPolarHBondContact O-CB 3.39Å; W185-K189 PolarHBondContact O-N 3.42Å
186L93.5Very high89.5Confident29 Ų2959.7 Ų59.715%0.15229%0.285CS..Hα-helixtrans-60.4-42.1176.1-75.5172.2000111.2T9 A12 L13 L16 L182 G183 K189 Y190T9-L186 HydrophobicContact CG2-CD2 4.08Å; A12-L186 HydrophobicContact CB-CD1 4.41Å; L13-L186 HydrophobicContact CD1-CB 4.4Å; L16-L186 HydrophobicContact CD1-CD1 4.5Å; L182-L186 WeakPolarHBondContact O-CB 3.46Å; L182-L186 VanDerWaalsContact O-CG 3.26Å; L182-L186 WeakPolarHBondContact O-CG 3.44Å; L182-L186 PolarHBondContact O-N 3.38Å; G183-L186 PolarHBondContact O-N 3.45Å; L186-K189 PolarHBondContact O-N 3.24Å; L186-Y190 WeakPolarHBondContact O-CB 3.31Å; L186-Y190 PolarHBondContact O-N 3.33Å
187T93.8Very high88.3Confident0 Ų067.3 Ų67.30%031%0.312CS..Hα-helixtrans-66.7-46.6178.6-55.50000111.3L13 L75 Y78 M79 G183 V184 W185 K189 Y190 R191L13-T187 WeakPolarHBondContact CD1-OG1 3.31Å; L75-T187 HydrophobicContact CB-CG2 3.88Å; L75-T187 HydrophobicContact CD2-CG2 4.28Å; L75-T187 HydrophobicContact CG-CG2 4.3Å; L75-T187 WeakPolarHBondContact O-CG2 3.37Å; Y78-T187 HydrophobicContact CD1-CG2 3.94Å; Y78-T187 WeakPolarHBondContact CD1-OG1 3.3Å; Y78-T187 VanDerWaalsContact CE1-OG1 3.28Å; Y78-T187 WeakPolarHBondContact CE1-OG1 3.41Å; M79-T187 HydrophobicContact CB-CG2 3.98Å; G183-T187 WeakPolarHBondContact O-CB 3.42Å; G183-T187 PolarHBondContact O-N 3.43Å; G183-T187 PolarHBondContact O-OG1 2.9Å; V184-T187 PolarHBondContact O-N 3.36Å; W185-T187 VanDerWaalsContact C-N 3.31Å; W185-T187 PolarHBondContact O-N 3.34Å; T187-K189 VanDerWaalsContact C-N 3.34Å; T187-K189 PolarHBondContact O-N 3.07Å; T187-Y190 PolarHBondContact O-N 2.88Å; T187-R191 HydrophobicContact CG2-CG 4.4Å; T187-R191 WeakPolarHBondContact O-CB 3.26Å; T187-R191 VanDerWaalsContact O-CG 3.27Å; T187-R191 WeakPolarHBondContact O-CG 3.35Å; T187-R191 PolarHBondContact O-N 3.21Å
188H93.3Very high86.8Confident98 Ų9869.9 Ų69.945%0.45433%0.33SS..Hα-helixtrans-58.1-47.6176.3177.9-97.1000111M79 V184 W185 N192M79-H188 HydrophobicContact SD-CB 4.17Å; V184-H188 WeakPolarHBondContact O-CB 3.28Å; V184-H188 PolarHBondContact O-N 3.37Å; W185-H188 PolarHBondContact O-N 3.38Å; H188-N192 PolarHBondContact CE1-ND2 3.2Å; H188-N192 PolarHBondContact NE2-ND2 3.49Å; H188-N192 PolarHBondContact O-N 2.91Å; H188-N192 PolarHBondContact O-ND2 3.49Å
189K91.6Very high85.1Confident84 Ų8469.8 Ų69.837%0.36534%0.335SS..Hα-helixtrans-59.2-50.3175.1-176179.7179.6-179.40111.3W185 L186 T187 R191 N192 L193W185-K189 HydrophobicContact CH2-CD 3.85Å; W185-K189 HydrophobicContact CZ2-CD 4.09Å; W185-K189 HydrophobicContact CZ3-CD 4.26Å; W185-K189 WeakPolarHBondContact O-CB 3.39Å; W185-K189 PolarHBondContact O-N 3.42Å; L186-K189 PolarHBondContact O-N 3.24Å; T187-K189 VanDerWaalsContact C-N 3.34Å; T187-K189 PolarHBondContact O-N 3.07Å; K189-R191 VanDerWaalsContact C-N 3.34Å; K189-R191 PolarHBondContact O-N 3.46Å; K189-N192 PolarHBondContact O-N 3.24Å; K189-L193 WeakPolarHBondContact O-CG 3.47Å; K189-L193 PolarHBondContact O-N 2.89Å
190Y89.7Confident83.4Confident0 Ų073.2 Ų73.20%036%0.358CS..Hα-helixtrans-63.1-37.9-176.4-173.8-126.5000112.8F6 T9 K10 L13 A67 H70 L75 L186 T187 N192 L193F6-Y190 HydrophobicContact CD2-CD2 4.32Å; F6-Y190 AromaticContact CD2-CE2 3.87Å; F6-Y190 HydrophobicContact CD2-CE2 3.87Å; F6-Y190 HydrophobicContact CE1-CE2 4.24Å; F6-Y190 HydrophobicContact CE2-CD2 4.25Å; F6-Y190 AromaticContact CE2-CE2 3.52Å; F6-Y190 HydrophobicContact CE2-CE2 3.52Å; F6-Y190 HydrophobicContact CG-CE2 4.38Å; F6-Y190 AromaticContact CZ-CE2 3.73Å; F6-Y190 HydrophobicContact CZ-CE2 3.73Å; T9-Y190 HydrophobicContact CG2-CD2 4.3Å; T9-Y190 HydrophobicContact CG2-CG 4.33Å; K10-Y190 HydrophobicContact CB-CD2 4.5Å; K10-Y190 HydrophobicContact CB-CE2 3.69Å; K10-Y190 HydrophobicContact CG-CE2 4.38Å; L13-Y190 HydrophobicContact CD2-CD1 3.83Å; L13-Y190 HydrophobicContact CD2-CE1 4.49Å; L13-Y190 HydrophobicContact CD2-CG 4.49Å; A67-Y190 PolarHBondContact O-OH 3.01Å; H70-Y190 PolarHBondContact CE1-O 2.88Å; H70-Y190 AromaticContact ND1-CE1 3.4Å; H70-Y190 WeakPolarHBondContact ND1-CE1 3.34Å; H70-Y190 AromaticContact ND1-CE2 3.84Å; H70-Y190 AromaticContact ND1-CZ 3.26Å; H70-Y190 VanDerWaalsContact ND1-CZ 3.26Å; H70-Y190 PolarHBondContact ND1-OH 2.88Å; L75-Y190 HydrophobicContact CD2-CD1 3.38Å; L75-Y190 HydrophobicContact CD2-CE1 3.86Å; L75-Y190 HydrophobicContact CD2-CG 4.43Å; L186-Y190 WeakPolarHBondContact O-CB 3.31Å; L186-Y190 PolarHBondContact O-N 3.33Å; T187-Y190 PolarHBondContact O-N 2.88Å; Y190-N192 VanDerWaalsContact C-N 3.32Å; Y190-N192 PolarHBondContact O-N 2.99Å; Y190-L193 PolarHBondContact O-N 2.88Å
191R89.3Confident81.6Confident56 Ų5676.2 Ų76.221%0.21139%0.392CS..Hα-helixtrans-63-37.3175.2-74.2178.572.6-157.9-4.7113.2Q72 L75 F76 T187 K189 L193Q72-R191 PolarHBondContact NE2-O 2.6Å; Q72-R191 VanDerWaalsContact NE2-O 3.08Å; L75-R191 HydrophobicContact CB-CG 3.55Å; L75-R191 HydrophobicContact CD2-CG 3.54Å; L75-R191 HydrophobicContact CG-CG 4.2Å; F76-R191 VanDerWaalsContact CD2-NH1 3.34Å; T187-R191 HydrophobicContact CG2-CG 4.4Å; T187-R191 WeakPolarHBondContact O-CB 3.26Å; T187-R191 VanDerWaalsContact O-CG 3.27Å; T187-R191 WeakPolarHBondContact O-CG 3.35Å; T187-R191 PolarHBondContact O-N 3.21Å; K189-R191 VanDerWaalsContact C-N 3.34Å; K189-R191 PolarHBondContact O-N 3.46Å; R191-L193 VanDerWaalsContact C-N 3.26Å; R191-L193 PolarHBondContact O-N 2.66Å
192N87.2Confident79.5Confident112 Ų11276.6 Ų76.660%0.59940%0.404SS*.Hα-helixtrans-79.9-7178.9-66.3-26.5000113.1H188 K189 Y190H188-N192 PolarHBondContact CE1-ND2 3.2Å; H188-N192 PolarHBondContact NE2-ND2 3.49Å; H188-N192 PolarHBondContact O-N 2.91Å; H188-N192 PolarHBondContact O-ND2 3.49Å; K189-N192 PolarHBondContact O-N 3.24Å; Y190-N192 VanDerWaalsContact C-N 3.32Å; Y190-N192 PolarHBondContact O-N 2.99Å
193L85.3Confident77.1Confident38 Ų3881.1 Ų81.120%0.19942%0.42CS..SBendtrans-85.2127.9172.3-65.3172000109.7F6 K189 Y190 R191F6-L193 HydrophobicContact CB-CD1 4.44Å; F6-L193 HydrophobicContact CD2-CB 3.82Å; F6-L193 HydrophobicContact CD2-CD1 4.43Å; F6-L193 HydrophobicContact CE2-CB 4.5Å; K189-L193 WeakPolarHBondContact O-CG 3.47Å; K189-L193 PolarHBondContact O-N 2.89Å; Y190-L193 PolarHBondContact O-N 2.88Å; R191-L193 VanDerWaalsContact C-N 3.26Å; R191-L193 PolarHBondContact O-N 2.66Å
194K76.3Confident74.5Confident160 Ų16093.1 Ų93.170%0.69648%0.482SS*.PPolyproline II helixtrans-74131173.9-162165.5-173.9175.20109.5P196K194-P196 VanDerWaalsContact O-CD 3.29Å; K194-P196 WeakPolarHBondContact O-CD 3.29Å; K194-P196 VanDerWaalsContact O-N 3.15Å
195D72.4Confident73.4Confident44 Ų4496.8 Ų96.824%0.23550%0.501CS..PPolyproline II helixtrans-60.3116.8174.2-174.5-14.6000109.2F6 R197 S198F6-D195 HydrophobicContact CE2-CB 4.3Å; F6-D195 HydrophobicContact CZ-CB 4.12Å; D195-R197 PolarHBondContact O-N 3.13Å; D195-R197 VanDerWaalsContact O-N 3.13Å; D195-R197 WeakPolarHBondContact OD1-CB 3.14Å; D195-R197 PolarHBondContact OD1-N 3.17Å; D195-S198 PolarHBondContact O-N 3.29Å; D195-S198 VanDerWaalsContact O-N 3.07Å
196P67.6Low72.3Confident72 Ų7294.5 Ų94.547%0.46850%0.499SS..THydrogen-bonded Turntrans-65.4-13.2-179.427.1-34.8000113.2F6 K194F6-P196 HydrophobicContact CD1-CG 4.26Å; F6-P196 HydrophobicContact CG-CG 4.47Å; K194-P196 VanDerWaalsContact O-CD 3.29Å; K194-P196 WeakPolarHBondContact O-CD 3.29Å; K194-P196 VanDerWaalsContact O-N 3.15Å
197R67Low71.1Confident224 Ų22498.1 Ų98.185%0.84552%0.518SS*.THydrogen-bonded Turntrans-96.6-11175.6-62-178.3179.1163.2-0.9113.4D195 N199D195-R197 PolarHBondContact O-N 3.13Å; D195-R197 VanDerWaalsContact O-N 3.13Å; D195-R197 WeakPolarHBondContact OD1-CB 3.14Å; D195-R197 PolarHBondContact OD1-N 3.17Å; R197-N199 PolarHBondContact O-N 3.03Å
198S63.8Low69.8Low56 Ų56103.9 Ų103.939%0.39255%0.549SS..SBendtrans-73.5120.8178.4-176.70000109.8D195D195-S198 PolarHBondContact O-N 3.29Å; D195-S198 VanDerWaalsContact O-N 3.07Å
199N57Low68.3Low127 Ų127104.3 Ų104.368%0.67956%0.555SS**  trans-57.3129.1177-123.7-10000108.6R197 G201 A202R197-N199 PolarHBondContact O-N 3.03Å; N199-G201 PolarHBondContact O-N 3.49Å; N199-A202 PolarHBondContact O-N 3.45Å
200P56.3Low66.8Low105 Ų105105.6 Ų105.668%0.68257%0.567SS**THydrogen-bonded Turntrans-61.9-9.2-174.721.8-31.3000114.6
201G56.9Low65.2Low72 Ų72113.1 Ų113.174%0.74261%0.608SS**THydrogen-bonded Turntrans-101-0.8175.700000116.3N199 F203N199-G201 PolarHBondContact O-N 3.49Å; G201-F203 VanDerWaalsContact C-N 3.3Å; G201-F203 PolarHBondContact O-N 3.44Å; G201-F203 VanDerWaalsContact O-N 3.11Å
202A49.4Very low63.3Low71 Ų71117.5 Ų117.559%0.58764%0.638SS**  trans-87.372.2176.100000110.2N199N199-A202 PolarHBondContact O-N 3.45Å
203F43.4Very low61.3Low195 Ų195118 Ų11886%0.85564%0.642SS**  trans-82.4107.8157.7-91.1-87.8000107.4G201G201-F203 VanDerWaalsContact C-N 3.3Å; G201-F203 PolarHBondContact O-N 3.44Å; G201-F203 VanDerWaalsContact O-N 3.11Å
204L40.7Very low59.1Low252 Ų252125.3 Ų125.3100%1.31968%0.682SS**  trans-163.90150.3-96.8170.4000107.9

Retrieved 204 of 204 residues in 252.8 ms (Link to these results)

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