G4VT96_SCHMA Loading...

G_PROTEIN_RECEP_F3_4 domain-containing protein

AlphaFold DB , UniProt , Accession G4VT96, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 148 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
1M52.1Low78.6Confident218 Ų21871.5 Ų71.5100%1.07437%0.371SS*.  0-48.10-149.4164168.700112K3 L4 L5M1-K3 PolarHBondContact O-N 3.13Å; M1-L4 PolarHBondContact O-N 3.13Å; M1-L5 PolarHBondContact O-N 2.98Å
2S70.4Confident79.6Confident46 Ų4672 Ų7232%0.32237%0.373SS..Hα-helixtrans-59.7-39.3179.958.40000115.8L4 L5 S6 L127 L131S2-L4 VanDerWaalsContact C-N 3.32Å; S2-L4 PolarHBondContact O-N 3.33Å; S2-L5 WeakPolarHBondContact O-CB 3.34Å; S2-L5 PolarHBondContact O-N 3.2Å; S2-S6 PolarHBondContact O-N 2.02Å; S2-S6 VanDerWaalsContact O-N 3.09Å; S2-L127 VanDerWaalsContact O-CD2 3.23Å; S2-L127 WeakPolarHBondContact O-CD2 3.33Å; S2-L131 WeakPolarHBondContact OG-CD1 3.19Å; S2-L131 WeakPolarHBondContact OG-CD2 3.44Å
3K71.2Confident80.2Confident112 Ų11266.5 Ų66.549%0.48735%0.345SS..Hα-helixtrans-63.6-36.8177.8-63.5-168.5-178.2-176.10113.2M1 L5 S6 L7 N74M1-K3 PolarHBondContact O-N 3.13Å; K3-L5 VanDerWaalsContact C-N 3.33Å; K3-S6 WeakPolarHBondContact O-CB 3.24Å; K3-S6 PolarHBondContact O-N 2.73Å; K3-L7 PolarHBondContact O-N 3.4Å; K3-N74 PolarHBondContact NZ-ND2 3.1Å; K3-N74 PolarHBondContact NZ-OD1 3.45Å
4L78Confident80.9Confident112 Ų11263.2 Ų63.259%0.58633%0.328SS*.Hα-helixtrans-70.4-35179.9-152.3144.9000110.6M1 S2 L7 I8M1-L4 PolarHBondContact O-N 3.13Å; S2-L4 VanDerWaalsContact C-N 3.32Å; S2-L4 PolarHBondContact O-N 3.33Å; L4-L7 PolarHBondContact O-N 3.15Å; L4-I8 HydrophobicContact CD2-CD1 3.55Å; L4-I8 HydrophobicContact CD2-CG1 4.33Å; L4-I8 WeakPolarHBondContact O-CG1 3.05Å; L4-I8 PolarHBondContact O-N 3.43Å
5L81.4Confident81.6Confident86 Ų8661 Ų6145%0.4533%0.327SS..Hα-helixtrans-62.7-47.3171.5-169.273.3000111.6M1 S2 K3 L7 I8 L9 L127M1-L5 PolarHBondContact O-N 2.98Å; S2-L5 WeakPolarHBondContact O-CB 3.34Å; S2-L5 PolarHBondContact O-N 3.2Å; K3-L5 VanDerWaalsContact C-N 3.33Å; L5-L7 VanDerWaalsContact C-N 3.31Å; L5-L7 PolarHBondContact O-N 2.98Å; L5-I8 PolarHBondContact O-N 3.46Å; L5-L9 HydrophobicContact CD1-CD1 3.74Å; L5-L9 HydrophobicContact CG-CD1 3.98Å; L5-L9 WeakPolarHBondContact O-CB 3.38Å; L5-L9 WeakPolarHBondContact O-CD1 3.02Å; L5-L9 PolarHBondContact O-N 2.87Å; L5-L127 HydrophobicContact CB-CD2 4.47Å; L5-L127 HydrophobicContact CD2-CD1 4.3Å; L5-L127 HydrophobicContact CD2-CD2 4.36Å
6S80.9Confident82Confident1 Ų161.9 Ų61.91%0.00733%0.327CS..Hα-helixtrans-55.9-46174.3-176.10000111.5S2 K3 I8 L9 Q10 V124 N128S2-S6 PolarHBondContact O-N 2.02Å; S2-S6 VanDerWaalsContact O-N 3.09Å; K3-S6 WeakPolarHBondContact O-CB 3.24Å; K3-S6 PolarHBondContact O-N 2.73Å; S6-I8 VanDerWaalsContact C-N 3.31Å; S6-I8 PolarHBondContact O-N 3.27Å; S6-L9 PolarHBondContact O-N 2.96Å; S6-Q10 WeakPolarHBondContact O-CB 3.43Å; S6-Q10 PolarHBondContact O-N 3.2Å; S6-V124 WeakPolarHBondContact OG-CG1 2.69Å; S6-N128 PolarHBondContact OG-ND2 3Å; S6-N128 VanDerWaalsContact OG-ND2 3.14Å; S6-N128 PolarHBondContact OG-OD1 3.5Å
7L82.1Confident82.4Confident37 Ų3758.4 Ų58.419%0.19431%0.308CS..Hα-helixtrans-63-34.9-179.7-168.681.6000112.9K3 L4 L5 P11 F61 D64 L65 I68K3-L7 PolarHBondContact O-N 3.4Å; L4-L7 PolarHBondContact O-N 3.15Å; L5-L7 VanDerWaalsContact C-N 3.31Å; L5-L7 PolarHBondContact O-N 2.98Å; L7-P11 WeakPolarHBondContact O-CD 3.48Å; L7-P11 WeakPolarHBondContact O-CG 3.33Å; L7-F61 HydrophobicContact CD1-CE2 4.17Å; L7-D64 HydrophobicContact CD1-CB 4.15Å; L7-L65 HydrophobicContact CD1-CD2 4.42Å; L7-L65 HydrophobicContact CD1-CG 4.47Å; L7-I68 HydrophobicContact CB-CD1 4.42Å; L7-I68 HydrophobicContact CD1-CD1 3.39Å; L7-I68 HydrophobicContact CD2-CD1 3.26Å; L7-I68 HydrophobicContact CG-CD1 3.81Å
8I87.1Confident82.8Confident84 Ų8458.9 Ų58.943%0.43131%0.314SS..Hα-helixtrans-80.8-43.4179.6-67.1170.9000110.9L4 L5 S6 Q10 P11 I12L4-I8 HydrophobicContact CD2-CD1 3.55Å; L4-I8 HydrophobicContact CD2-CG1 4.33Å; L4-I8 WeakPolarHBondContact O-CG1 3.05Å; L4-I8 PolarHBondContact O-N 3.43Å; L5-I8 PolarHBondContact O-N 3.46Å; S6-I8 VanDerWaalsContact C-N 3.31Å; S6-I8 PolarHBondContact O-N 3.27Å; I8-Q10 PolarHBondContact O-N 3.01Å; I8-P11 VanDerWaalsContact O-CD 3.27Å; I8-P11 WeakPolarHBondContact O-CD 3.38Å; I8-P11 WeakPolarHBondContact O-CG 3.31Å; I8-I12 HydrophobicContact CG2-CD1 3.69Å; I8-I12 WeakPolarHBondContact O-CD1 3.28Å; I8-I12 VanDerWaalsContact O-CG1 3.26Å; I8-I12 WeakPolarHBondContact O-CG1 3.34Å; I8-I12 PolarHBondContact O-N 3.41Å
9L86.6Confident83.2Confident43 Ų4361.1 Ų61.123%0.22533%0.325CS..Hα-helixtrans-69.4-34.6-176.7-96.168.2000112.6L5 S6 I12 G13 I120 V124L5-L9 HydrophobicContact CD1-CD1 3.74Å; L5-L9 HydrophobicContact CG-CD1 3.98Å; L5-L9 WeakPolarHBondContact O-CB 3.38Å; L5-L9 WeakPolarHBondContact O-CD1 3.02Å; L5-L9 PolarHBondContact O-N 2.87Å; S6-L9 PolarHBondContact O-N 2.96Å; L9-I12 PolarHBondContact O-N 3.37Å; L9-G13 PolarHBondContact O-N 2.85Å; L9-I120 HydrophobicContact CB-CG2 4.15Å; L9-I120 HydrophobicContact CD2-CG2 4.39Å; L9-I120 HydrophobicContact CG-CG2 4.2Å; L9-I120 WeakPolarHBondContact O-CG2 3.5Å; L9-V124 HydrophobicContact CB-CG2 3.32Å; L9-V124 HydrophobicContact CD2-CG2 4.18Å; L9-V124 HydrophobicContact CG-CG2 4.4Å
10Q86.3Confident83.2Confident1 Ų158.1 Ų58.11%0.00531%0.309CS..Hα-helixtrans-60.2-52.5-178.1-164.3131-7.400113.5S6 I8 I12 G13 I14 F61 V124S6-Q10 WeakPolarHBondContact O-CB 3.43Å; S6-Q10 PolarHBondContact O-N 3.2Å; I8-Q10 PolarHBondContact O-N 3.01Å; Q10-I12 VanDerWaalsContact C-N 3.29Å; Q10-I12 PolarHBondContact O-N 3.5Å; Q10-G13 PolarHBondContact O-N 2.87Å; Q10-I14 HydrophobicContact CG-CD1 4.26Å; Q10-I14 VanDerWaalsContact O-CG1 3.31Å; Q10-I14 WeakPolarHBondContact O-CG1 2.83Å; Q10-I14 PolarHBondContact O-N 3.36Å; Q10-F61 HydrophobicContact CB-CD2 4.17Å; Q10-F61 HydrophobicContact CG-CB 4.33Å; Q10-F61 HydrophobicContact CG-CD2 4.24Å; Q10-V124 HydrophobicContact CB-CG1 4.23Å
11P88.8Confident83.4Confident47 Ų4758.5 Ų58.531%0.30531%0.308SS..Hα-helixtrans-67-30.317726.8-34.1000112.1L7 I8 I14 G15 F61L7-P11 WeakPolarHBondContact O-CD 3.48Å; L7-P11 WeakPolarHBondContact O-CG 3.33Å; I8-P11 VanDerWaalsContact O-CD 3.27Å; I8-P11 WeakPolarHBondContact O-CD 3.38Å; I8-P11 WeakPolarHBondContact O-CG 3.31Å; P11-I14 PolarHBondContact O-N 3.25Å; P11-G15 PolarHBondContact O-N 3.11Å; P11-F61 HydrophobicContact CB-CE2 4.09Å; P11-F61 HydrophobicContact CB-CZ 4.07Å; P11-F61 HydrophobicContact CG-CE2 3.8Å; P11-F61 HydrophobicContact CG-CZ 4.08Å
12I90.1Very high85Confident77 Ų7751.7 Ų51.740%0.39528%0.282SS..Hα-helixtrans-62.4-48.2171.8-68170.8000110I8 L9 Q10 I14 G15 F16 I120I8-I12 HydrophobicContact CG2-CD1 3.69Å; I8-I12 WeakPolarHBondContact O-CD1 3.28Å; I8-I12 VanDerWaalsContact O-CG1 3.26Å; I8-I12 WeakPolarHBondContact O-CG1 3.34Å; I8-I12 PolarHBondContact O-N 3.41Å; L9-I12 PolarHBondContact O-N 3.37Å; Q10-I12 VanDerWaalsContact C-N 3.29Å; Q10-I12 PolarHBondContact O-N 3.5Å; I12-I14 PolarHBondContact O-N 3.38Å; I12-G15 PolarHBondContact O-N 3.34Å; I12-G15 VanDerWaalsContact O-N 3.16Å; I12-F16 HydrophobicContact CG2-CD2 3.79Å; I12-F16 HydrophobicContact CG2-CE2 3.75Å; I12-F16 WeakPolarHBondContact O-CD2 3.37Å; I12-F16 PolarHBondContact O-N 3.39Å; I12-I120 HydrophobicContact CG2-CD1 4.43Å
13G88Confident85.7Confident0 Ų051.7 Ų51.70%028%0.28CS..Hα-helixtrans-59.6-46.2176.800000112.5L9 Q10 G15 F16 I17L9-G13 PolarHBondContact O-N 2.85Å; Q10-G13 PolarHBondContact O-N 2.87Å; G13-G15 VanDerWaalsContact C-N 3.31Å; G13-G15 PolarHBondContact O-N 2.96Å; G13-F16 PolarHBondContact O-N 3.48Å; G13-I17 WeakPolarHBondContact O-CG1 3.18Å; G13-I17 PolarHBondContact O-N 3.17Å
14I90.2Very high86.2Confident21 Ų2150.5 Ų50.511%0.10828%0.279CS..Hα-helixtrans-57.3-45.9173.3-68.4171.1000110.1Q10 P11 I12 F16 I17 V18 M54 L57 F61Q10-I14 HydrophobicContact CG-CD1 4.26Å; Q10-I14 VanDerWaalsContact O-CG1 3.31Å; Q10-I14 WeakPolarHBondContact O-CG1 2.83Å; Q10-I14 PolarHBondContact O-N 3.36Å; P11-I14 PolarHBondContact O-N 3.25Å; I12-I14 PolarHBondContact O-N 3.38Å; I14-F16 PolarHBondContact O-N 3.4Å; I14-I17 PolarHBondContact O-N 3.38Å; I14-I17 VanDerWaalsContact O-N 3.15Å; I14-V18 WeakPolarHBondContact O-CG2 3.35Å; I14-V18 PolarHBondContact O-N 3.47Å; I14-M54 HydrophobicContact CB-CE 4.33Å; I14-M54 HydrophobicContact CG2-CE 3.48Å; I14-M54 VanDerWaalsContact CG2-CE 3.48Å; I14-L57 HydrophobicContact CD1-CB 4.23Å; I14-L57 HydrophobicContact CG1-CB 4.22Å; I14-F61 HydrophobicContact CD1-CB 4.17Å
15G90.6Very high86.4Confident30 Ų3053.2 Ų53.231%0.30928%0.281SS..Hα-helixtrans-59.9-42.917800000113P11 I12 G13 I17 V18 L19P11-G15 PolarHBondContact O-N 3.11Å; I12-G15 PolarHBondContact O-N 3.34Å; I12-G15 VanDerWaalsContact O-N 3.16Å; G13-G15 VanDerWaalsContact C-N 3.31Å; G13-G15 PolarHBondContact O-N 2.96Å; G15-I17 PolarHBondContact O-N 3.4Å; G15-V18 PolarHBondContact O-N 2.84Å; G15-L19 WeakPolarHBondContact O-CB 3.34Å; G15-L19 WeakPolarHBondContact O-CG 3.46Å; G15-L19 PolarHBondContact O-N 3.07Å
16F88.3Confident86.2Confident75 Ų7549.4 Ų49.433%0.32926%0.261SS..Hα-helixtrans-62.7-39.9173.6-88.1-77.5000112.3I12 G13 I14 L19 G20 I113 I116 I120I12-F16 HydrophobicContact CG2-CD2 3.79Å; I12-F16 HydrophobicContact CG2-CE2 3.75Å; I12-F16 WeakPolarHBondContact O-CD2 3.37Å; I12-F16 PolarHBondContact O-N 3.39Å; G13-F16 PolarHBondContact O-N 3.48Å; I14-F16 PolarHBondContact O-N 3.4Å; F16-L19 PolarHBondContact O-N 2.99Å; F16-G20 PolarHBondContact O-N 2.93Å; F16-I113 HydrophobicContact CD1-CG2 4.17Å; F16-I113 WeakPolarHBondContact O-CG2 3.07Å; F16-I116 HydrophobicContact CD1-CG2 4.46Å; F16-I120 HydrophobicContact CD2-CD1 3.99Å; F16-I120 HydrophobicContact CE2-CD1 4.24Å
17I88.5Confident85.9Confident3 Ų351.4 Ų51.42%0.01528%0.282CS..Hα-helixtrans-65.9-43.5177.1-62.8159.4000110.8G13 I14 G15 G20 F21 L50 M54 L57 I94G13-I17 WeakPolarHBondContact O-CG1 3.18Å; G13-I17 PolarHBondContact O-N 3.17Å; I14-I17 PolarHBondContact O-N 3.38Å; I14-I17 VanDerWaalsContact O-N 3.15Å; G15-I17 PolarHBondContact O-N 3.4Å; I17-G20 PolarHBondContact O-N 3.21Å; I17-F21 PolarHBondContact O-N 3.02Å; I17-L50 HydrophobicContact CG2-CD2 4.02Å; I17-M54 HydrophobicContact CB-CE 4.41Å; I17-M54 HydrophobicContact CB-SD 3.8Å; I17-M54 HydrophobicContact CD1-SD 4.02Å; I17-M54 HydrophobicContact CG2-CE 4.34Å; I17-M54 HydrophobicContact CG2-CG 4.06Å; I17-M54 HydrophobicContact CG2-SD 3.44Å; I17-M54 WeakPolarHBondContact CG2-SD 3.21Å; I17-L57 HydrophobicContact CD1-CD1 3.98Å; I17-I94 HydrophobicContact CD1-CD1 3.96Å; I17-I94 HydrophobicContact CG2-CD1 4.4Å; I17-I94 HydrophobicContact CG2-CG2 4.39Å
18V90.5Very high85.8Confident68 Ų6851 Ų5141%0.41228%0.282SS..Hα-helixtrans-62.2-45175.2175.70000110.8I14 G15 G20 F21 S22 M54I14-V18 WeakPolarHBondContact O-CG2 3.35Å; I14-V18 PolarHBondContact O-N 3.47Å; G15-V18 PolarHBondContact O-N 2.84Å; V18-G20 PolarHBondContact O-N 3.34Å; V18-F21 WeakPolarHBondContact O-CB 3.39Å; V18-F21 PolarHBondContact O-N 3.18Å; V18-S22 PolarHBondContact O-N 3.09Å; V18-S22 PolarHBondContact O-OG 3.48Å; V18-M54 HydrophobicContact CG2-CE 3.45Å; V18-M54 VanDerWaalsContact CG2-CE 3.45Å
19L89.4Confident85.6Confident100 Ų10048.3 Ų48.352%0.52427%0.274SS..Hα-helixtrans-59.8-46.3176.4-85.7166.1000111.5G15 F16 F21 S22 V23 I113G15-L19 WeakPolarHBondContact O-CB 3.34Å; G15-L19 WeakPolarHBondContact O-CG 3.46Å; G15-L19 PolarHBondContact O-N 3.07Å; F16-L19 PolarHBondContact O-N 2.99Å; L19-F21 VanDerWaalsContact C-N 3.25Å; L19-F21 PolarHBondContact O-N 3.08Å; L19-S22 PolarHBondContact O-N 2.83Å; L19-S22 VanDerWaalsContact O-N 3.11Å; L19-V23 VanDerWaalsContact O-CG2 3.24Å; L19-V23 WeakPolarHBondContact O-CG2 3.41Å; L19-V23 PolarHBondContact O-N 3.44Å; L19-I113 HydrophobicContact CB-CG2 4.4Å
20G84.4Confident85.4Confident0 Ų051 Ų510%028%0.284CS..Hα-helixtrans-60.7-37.2177.800000112.1F16 I17 V18 W26 C114F16-G20 PolarHBondContact O-N 2.93Å; I17-G20 PolarHBondContact O-N 3.21Å; V18-G20 PolarHBondContact O-N 3.34Å; G20-W26 WeakPolarHBondContact O-CZ2 3.41Å; G20-W26 PolarHBondContact O-NE1 2.97Å; G20-C114 VanDerWaalsContact CA-SG 3.54Å
21F86.3Confident85Confident68 Ų6851.2 Ų51.230%0.29829%0.285SS..Hα-helixtrans-63.8-43.9171.8178.8-101.3000113I17 V18 L19 L31 L32 L47 L50I17-F21 PolarHBondContact O-N 3.02Å; V18-F21 WeakPolarHBondContact O-CB 3.39Å; V18-F21 PolarHBondContact O-N 3.18Å; L19-F21 VanDerWaalsContact C-N 3.25Å; L19-F21 PolarHBondContact O-N 3.08Å; F21-L31 HydrophobicContact CD2-CD2 3.9Å; F21-L31 HydrophobicContact CE2-CD2 3.63Å; F21-L32 HydrophobicContact CZ-CD1 4.36Å; F21-L47 HydrophobicContact CE2-CD2 4.13Å; F21-L47 HydrophobicContact CE2-CG 4.1Å; F21-L47 HydrophobicContact CZ-CD2 4.29Å; F21-L50 HydrophobicContact CD2-CD1 3.98Å
22S85.8Confident84.7Confident75 Ų7553.9 Ų53.952%0.52430%0.297SS..Hα-helixtrans-76.5-18.8-177.3-62.20000114.6V18 L19 D24V18-S22 PolarHBondContact O-N 3.09Å; V18-S22 PolarHBondContact O-OG 3.48Å; L19-S22 PolarHBondContact O-N 2.83Å; L19-S22 VanDerWaalsContact O-N 3.11Å; S22-D24 PolarHBondContact O-N 3.43Å
23V85.9Confident84.4Confident45 Ų4555.6 Ų55.627%0.27331%0.307SS..  trans-77.6122.2-179.9171.90000110.1L19 R25 W26 S110 I113L19-V23 VanDerWaalsContact O-CG2 3.24Å; L19-V23 WeakPolarHBondContact O-CG2 3.41Å; L19-V23 PolarHBondContact O-N 3.44Å; V23-R25 HydrophobicContact CG1-CB 3.86Å; V23-R25 HydrophobicContact CG1-CG 4.06Å; V23-R25 PolarHBondContact O-N 2.92Å; V23-W26 PolarHBondContact O-NE1 2.96Å; V23-S110 WeakPolarHBondContact CG1-OG 3.39Å; V23-S110 PolarHBondContact O-OG 3.2Å; V23-I113 HydrophobicContact CG2-CD1 4.34Å
24D81.5Confident84.3Confident87 Ų8757.8 Ų57.847%0.46532%0.322SS..SBendtrans-75.121.2-179.3-68.5-32.9000114.8S22 G29 K30S22-D24 PolarHBondContact O-N 3.43Å; D24-G29 CarbonylContact C-O 3.53Å; D24-G29 CarbonylContact O-C 3.3Å; D24-G29 VanDerWaalsContact O-C 3.3Å; D24-K30 HydrophobicContact CB-CG 3.87Å; D24-K30 WeakPolarHBondContact OD1-CG 3.15Å; D24-K30 WeakPolarHBondContact OD2-CE 3.29Å; D24-K30 IonicContact OD2-NZ 3.99Å
25R81.3Confident83.8Confident169 Ų16956.8 Ų56.864%0.63832%0.317SS*.  trans-109.550.6179.6-61.1-164.8-176.2-164.32.4111.5V23 D108 S110V23-R25 HydrophobicContact CG1-CB 3.86Å; V23-R25 HydrophobicContact CG1-CG 4.06Å; V23-R25 PolarHBondContact O-N 2.92Å; R25-D108 WeakPolarHBondContact O-CB 3.47Å; R25-S110 PolarHBondContact O-N 2.94Å; R25-S110 PolarHBondContact O-OG 3.11Å
26W78.8Confident83.5Confident6 Ų658 Ų582%0.02332%0.316CS..BIsolated β-bridgetrans-83157.4162-59.584000108G20 V23 C28 G29 L31 L46 Y101G20-W26 WeakPolarHBondContact O-CZ2 3.41Å; G20-W26 PolarHBondContact O-NE1 2.97Å; V23-W26 PolarHBondContact O-NE1 2.96Å; W26-C28 PolarHBondContact O-N 2.96Å; W26-G29 VanDerWaalsContact CB-O 3.31Å; W26-G29 WeakPolarHBondContact CB-O 3.33Å; W26-G29 PolarHBondContact N-O 3.37Å; W26-G29 VanDerWaalsContact N-O 3.13Å; W26-G29 WeakPolarHBondContact O-CA 3.34Å; W26-G29 PolarHBondContact O-N 3.27Å; W26-L31 HydrophobicContact CB-CD1 4.41Å; W26-L31 HydrophobicContact CD2-CD1 3.34Å; W26-L31 HydrophobicContact CE3-CD1 3.63Å; W26-L31 HydrophobicContact CG-CB 4.32Å; W26-L31 HydrophobicContact CG-CD1 3.69Å; W26-L31 HydrophobicContact CH2-CD1 4.24Å; W26-L31 HydrophobicContact CZ2-CD1 4Å; W26-L31 HydrophobicContact CZ3-CD1 4.06Å; W26-L46 HydrophobicContact CH2-CD2 4.1Å; W26-L46 HydrophobicContact CZ3-CD2 3.87Å; W26-Y101 HydrophobicContact CE3-CD1 4.35Å; W26-Y101 AromaticContact CE3-CE1 3.72Å; W26-Y101 HydrophobicContact CE3-CE1 3.72Å; W26-Y101 HydrophobicContact CE3-CE2 4.17Å; W26-Y101 AromaticContact CE3-CZ 3.62Å; W26-Y101 HydrophobicContact CZ3-CD1 4.27Å; W26-Y101 HydrophobicContact CZ3-CE1 4.09Å
27G74.1Confident83.4Confident43 Ų4361.7 Ų61.744%0.44333%0.334SS..THydrogen-bonded Turntrans-60.5-22.9-170.600000115.9D108G27-D108 WeakPolarHBondContact CA-OD2 3.19Å; G27-D108 VanDerWaalsContact N-CG 3.3Å; G27-D108 PolarHBondContact N-OD2 2.86Å
28C80.2Confident83.1Confident30 Ų3070 Ų7020%0.20337%0.366CS..THydrogen-bonded Turntrans-95.73174.123.60000113.4W26 S34 C35W26-C28 PolarHBondContact O-N 2.96Å; C28-S34 WeakPolarHBondContact O-CB 3.37Å; C28-C35 HydrophobicContact CB-CB 3.98Å; C28-C35 WeakPolarHBondContact CB-SG 3.47Å; C28-C35 WeakPolarHBondContact SG-CA 3.26Å; C28-C35 WeakPolarHBondContact SG-CB 3.32Å; C28-C35 CovalentContact SG-SG 2.02Å; C28-C35 PolarHBondContact SG-SG 2.94Å
29G82.3Confident82.9Confident26 Ų2671.6 Ų71.627%0.26837%0.366SS..BIsolated β-bridgetrans99-120.4-175.300000112.4D24 W26D24-G29 CarbonylContact C-O 3.53Å; D24-G29 CarbonylContact O-C 3.3Å; D24-G29 VanDerWaalsContact O-C 3.3Å; W26-G29 VanDerWaalsContact CB-O 3.31Å; W26-G29 WeakPolarHBondContact CB-O 3.33Å; W26-G29 PolarHBondContact N-O 3.37Å; W26-G29 VanDerWaalsContact N-O 3.13Å; W26-G29 WeakPolarHBondContact O-CA 3.34Å; W26-G29 PolarHBondContact O-N 3.27Å
30K82.8Confident82.7Confident99 Ų9973.2 Ų73.243%0.4337%0.368SS..  trans-76.9133.6178.9-63.9-166.9171.2176.40111.2D24 L32 D33 S34 C35D24-K30 HydrophobicContact CB-CG 3.87Å; D24-K30 WeakPolarHBondContact OD1-CG 3.15Å; D24-K30 WeakPolarHBondContact OD2-CE 3.29Å; D24-K30 IonicContact OD2-NZ 3.99Å; K30-L32 PolarHBondContact O-N 3.45Å; K30-D33 HydrophobicContact CB-CB 3.86Å; K30-D33 PolarHBondContact O-N 3.27Å; K30-S34 PolarHBondContact O-N 3.49Å; K30-S34 VanDerWaalsContact O-N 3.13Å; K30-C35 PolarHBondContact O-N 3.5Å
31L78.6Confident82.9Confident6 Ų678 Ų783%0.03140%0.398CS..THydrogen-bonded Turntrans-61-46.9-179-160.289.1000111.8F21 W26 D33 L36 T43 L46 L47 Y101F21-L31 HydrophobicContact CD2-CD2 3.9Å; F21-L31 HydrophobicContact CE2-CD2 3.63Å; W26-L31 HydrophobicContact CB-CD1 4.41Å; W26-L31 HydrophobicContact CD2-CD1 3.34Å; W26-L31 HydrophobicContact CE3-CD1 3.63Å; W26-L31 HydrophobicContact CG-CB 4.32Å; W26-L31 HydrophobicContact CG-CD1 3.69Å; W26-L31 HydrophobicContact CH2-CD1 4.24Å; W26-L31 HydrophobicContact CZ2-CD1 4Å; W26-L31 HydrophobicContact CZ3-CD1 4.06Å; L31-D33 VanDerWaalsContact C-N 3.34Å; L31-D33 PolarHBondContact O-N 3.16Å; L31-L36 PolarHBondContact O-N 2.92Å; L31-T43 HydrophobicContact CG-CG2 4.06Å; L31-T43 WeakPolarHBondContact O-CG2 3.44Å; L31-L46 HydrophobicContact CD1-CD2 3.86Å; L31-L47 HydrophobicContact CD2-CD1 3.82Å; L31-L47 HydrophobicContact CD2-CG 4.26Å; L31-Y101 HydrophobicContact CD1-CE2 4.39Å
32L81.9Confident83Confident104 Ų10475.4 Ų75.455%0.54539%0.388SS..THydrogen-bonded Turntrans-81.4-10.5-174.6-72.3169.6000114.6F21 K30 L47F21-L32 HydrophobicContact CZ-CD1 4.36Å; K30-L32 PolarHBondContact O-N 3.45Å; L32-L47 HydrophobicContact CD2-CD1 3.65Å; L32-L47 HydrophobicContact CD2-CD2 4.33Å
33D84.1Confident83.1Confident112 Ų11271.8 Ų71.860%0.59936%0.363SS*.THydrogen-bonded Turntrans-115.6-81.2-174.5-121.7-19.5000109K30 L31 L36 H37K30-D33 HydrophobicContact CB-CB 3.86Å; K30-D33 PolarHBondContact O-N 3.27Å; L31-D33 VanDerWaalsContact C-N 3.34Å; L31-D33 PolarHBondContact O-N 3.16Å; D33-L36 PolarHBondContact O-N 2.81Å; D33-H37 PolarHBondContact O-N 3.44Å; D33-H37 VanDerWaalsContact O-N 3.1Å
34S84.3Confident83.4Confident47 Ų4772.9 Ų72.933%0.32937%0.366SS..Hα-helixtrans-69.2-47.4-172.2-49.20000111.9C28 K30 L36 H37 Y38C28-S34 WeakPolarHBondContact O-CB 3.37Å; K30-S34 PolarHBondContact O-N 3.49Å; K30-S34 VanDerWaalsContact O-N 3.13Å; S34-L36 VanDerWaalsContact C-N 3.31Å; S34-L36 PolarHBondContact O-N 3.35Å; S34-H37 PolarHBondContact O-N 3.49Å; S34-Y38 WeakPolarHBondContact O-CD2 3.43Å; S34-Y38 PolarHBondContact O-N 3.04Å
35C81.6Confident83.9Confident0 Ų073.5 Ų73.50%037%0.367CS..Hα-helixtrans-67.5-31.9178.4-68.30000112.8C28 K30 H37 Y39 T43C28-C35 HydrophobicContact CB-CB 3.98Å; C28-C35 WeakPolarHBondContact CB-SG 3.47Å; C28-C35 WeakPolarHBondContact SG-CA 3.26Å; C28-C35 WeakPolarHBondContact SG-CB 3.32Å; C28-C35 CovalentContact SG-SG 2.02Å; C28-C35 PolarHBondContact SG-SG 2.94Å; K30-C35 PolarHBondContact O-N 3.5Å; C35-H37 VanDerWaalsContact C-N 3.31Å; C35-Y39 CarbonylContact O-C 3.4Å; C35-Y39 WeakPolarHBondContact O-CA 3.44Å; C35-Y39 PolarHBondContact O-N 3.15Å; C35-T43 HydrophobicContact CB-CG2 4.21Å; C35-T43 PolarHBondContact O-OG1 3.49Å
36L84.3Confident84.3Confident54 Ų5465.5 Ų65.528%0.28334%0.337SS..Hα-helixtrans-69.9-32.6177-170.964.3000111.4L31 D33 S34 K40 T43 I44L31-L36 PolarHBondContact O-N 2.92Å; D33-L36 PolarHBondContact O-N 2.81Å; S34-L36 VanDerWaalsContact C-N 3.31Å; S34-L36 PolarHBondContact O-N 3.35Å; L36-K40 HydrophobicContact CD1-CG 4.37Å; L36-K40 WeakPolarHBondContact O-CA 3.23Å; L36-K40 VanDerWaalsContact O-CB 3.28Å; L36-K40 WeakPolarHBondContact O-CB 3.07Å; L36-K40 PolarHBondContact O-N 3.31Å; L36-T43 HydrophobicContact CB-CG2 4.26Å; L36-T43 HydrophobicContact CD1-CG2 4.1Å; L36-I44 HydrophobicContact CD1-CD1 4.24Å; L36-I44 HydrophobicContact CD1-CG1 3.69Å
37H85.8Confident84.9Confident154 Ų15466.5 Ų66.571%0.71334%0.343SS*.Hα-helixtrans-70.4-49.9177.4-165.774000112.4D33 S34 C35D33-H37 PolarHBondContact O-N 3.44Å; D33-H37 VanDerWaalsContact O-N 3.1Å; S34-H37 PolarHBondContact O-N 3.49Å; C35-H37 VanDerWaalsContact C-N 3.31Å
38Y82.3Confident85.8Confident176 Ų17669 Ų6969%0.6935%0.346SS*.Hα-helixtrans-79.5-40.6-176.8-73.6-77.4000113.7S34S34-Y38 WeakPolarHBondContact O-CD2 3.43Å; S34-Y38 PolarHBondContact O-N 3.04Å
39Y84.8Confident86.4Confident102 Ų10269.1 Ų69.140%0.435%0.346SS..SBendtrans-122.544-172.1-63.7-79000112.4C35 T41 V42 T43 I105C35-Y39 CarbonylContact O-C 3.4Å; C35-Y39 WeakPolarHBondContact O-CA 3.44Å; C35-Y39 PolarHBondContact O-N 3.15Å; Y39-T41 PolarHBondContact O-N 3.24Å; Y39-T41 VanDerWaalsContact O-N 3.11Å; Y39-V42 PolarHBondContact O-N 3.06Å; Y39-T43 PolarHBondContact O-N 2.82Å; Y39-T43 PolarHBondContact O-OG1 3.04Å; Y39-T43 VanDerWaalsContact O-OG1 3.09Å; Y39-I105 HydrophobicContact CD2-CD1 3.67Å; Y39-I105 HydrophobicContact CD2-CG1 3.96Å; Y39-I105 HydrophobicContact CE2-CD1 4.2Å; Y39-I105 HydrophobicContact CE2-CG1 3.98Å; Y39-I105 HydrophobicContact CG-CD1 3.86Å; Y39-I105 HydrophobicContact CG-CG1 4.23Å
40K86.6Confident86.8Confident134 Ų13468.1 Ų68.158%0.58334%0.335SS*.Hα-helixtrans-40.6-55.7-172.2-169.7174.6179.8178.90114.4L36 V42 I44L36-K40 HydrophobicContact CD1-CG 4.37Å; L36-K40 WeakPolarHBondContact O-CA 3.23Å; L36-K40 VanDerWaalsContact O-CB 3.28Å; L36-K40 WeakPolarHBondContact O-CB 3.07Å; L36-K40 PolarHBondContact O-N 3.31Å; K40-V42 VanDerWaalsContact C-N 3.34Å; K40-V42 PolarHBondContact O-N 2.92Å; K40-I44 HydrophobicContact CG-CD1 3.71Å; K40-I44 WeakPolarHBondContact O-CB 3.11Å; K40-I44 WeakPolarHBondContact O-CG1 3.36Å; K40-I44 PolarHBondContact O-N 3.42Å
41T88.7Confident87.3Confident101 Ų10168.4 Ų68.462%0.6234%0.34SS*.Hα-helixtrans-62-40.5-176.3-47.90000112.6Y39 M45Y39-T41 PolarHBondContact O-N 3.24Å; Y39-T41 VanDerWaalsContact O-N 3.11Å; T41-M45 WeakPolarHBondContact O-CB 3.43Å; T41-M45 WeakPolarHBondContact O-CG 3.46Å; T41-M45 PolarHBondContact O-N 2.83Å; T41-M45 VanDerWaalsContact O-N 3.08Å
42V88.2Confident88Confident13 Ų1371.5 Ų71.58%0.07936%0.359CS..Hα-helixtrans-76.9-43.1-174.71790000110Y39 K40 I44 M45 L46 Y101 K104Y39-V42 PolarHBondContact O-N 3.06Å; K40-V42 VanDerWaalsContact C-N 3.34Å; K40-V42 PolarHBondContact O-N 2.92Å; V42-I44 VanDerWaalsContact C-N 3.34Å; V42-I44 PolarHBondContact O-N 2.87Å; V42-M45 PolarHBondContact O-N 3.47Å; V42-L46 WeakPolarHBondContact O-CB 3.28Å; V42-L46 PolarHBondContact O-N 2.83Å; V42-Y101 HydrophobicContact CG1-CD2 4.39Å; V42-K104 HydrophobicContact CB-CD 4.42Å; V42-K104 HydrophobicContact CG1-CD 4.45Å; V42-K104 HydrophobicContact CG2-CD 3.26Å; V42-K104 VanDerWaalsContact CG2-NZ 3.33Å
43T88.5Confident88.5Confident0 Ų066.6 Ų66.60%033%0.334CS..Hα-helixtrans-61.6-42.7176.4-54.50000111L31 C35 L36 Y39 L46 L47L31-T43 HydrophobicContact CG-CG2 4.06Å; L31-T43 WeakPolarHBondContact O-CG2 3.44Å; C35-T43 HydrophobicContact CB-CG2 4.21Å; C35-T43 PolarHBondContact O-OG1 3.49Å; L36-T43 HydrophobicContact CB-CG2 4.26Å; L36-T43 HydrophobicContact CD1-CG2 4.1Å; Y39-T43 PolarHBondContact O-N 2.82Å; Y39-T43 PolarHBondContact O-OG1 3.04Å; Y39-T43 VanDerWaalsContact O-OG1 3.09Å; T43-L46 PolarHBondContact O-N 3.22Å; T43-L47 HydrophobicContact CG2-CD1 4.36Å; T43-L47 WeakPolarHBondContact O-CB 3.25Å; T43-L47 PolarHBondContact O-N 2.95Å
44I90.8Very high88.9Confident68 Ų6862.3 Ų62.335%0.34931%0.31SS..Hα-helixtrans-63.8-44.3175.2-70.6170.4000111.4L36 K40 V42 L47 L48L36-I44 HydrophobicContact CD1-CD1 4.24Å; L36-I44 HydrophobicContact CD1-CG1 3.69Å; K40-I44 HydrophobicContact CG-CD1 3.71Å; K40-I44 WeakPolarHBondContact O-CB 3.11Å; K40-I44 WeakPolarHBondContact O-CG1 3.36Å; K40-I44 PolarHBondContact O-N 3.42Å; V42-I44 VanDerWaalsContact C-N 3.34Å; V42-I44 PolarHBondContact O-N 2.87Å; I44-L47 PolarHBondContact O-N 3.33Å; I44-L48 HydrophobicContact CG2-CD1 3.88Å; I44-L48 HydrophobicContact CG2-CG 4.49Å; I44-L48 WeakPolarHBondContact O-CB 3.29Å; I44-L48 WeakPolarHBondContact O-CG 3.33Å; I44-L48 PolarHBondContact O-N 3.11Å
45M91.4Very high89.4Confident99 Ų9962.9 Ų62.949%0.48831%0.314SS..Hα-helixtrans-62.1-44.1177.2-73.4-67.5-179.400111.8T41 V42 L47 L48 C49T41-M45 WeakPolarHBondContact O-CB 3.43Å; T41-M45 WeakPolarHBondContact O-CG 3.46Å; T41-M45 PolarHBondContact O-N 2.83Å; T41-M45 VanDerWaalsContact O-N 3.08Å; V42-M45 PolarHBondContact O-N 3.47Å; M45-L47 VanDerWaalsContact C-N 3.34Å; M45-L47 PolarHBondContact O-N 3.48Å; M45-L48 PolarHBondContact O-N 3.21Å; M45-C49 WeakPolarHBondContact O-CB 3.49Å; M45-C49 PolarHBondContact O-N 2.93Å; M45-C49 PolarHBondContact O-SG 3.49Å
46L90.3Very high89.9Confident1 Ų166.4 Ų66.41%0.00533%0.33CS..Hα-helixtrans-58.5-46.8173.8172.866.3000110.9W26 L31 V42 T43 L48 C49 L50 G97 I98 Y101W26-L46 HydrophobicContact CH2-CD2 4.1Å; W26-L46 HydrophobicContact CZ3-CD2 3.87Å; L31-L46 HydrophobicContact CD1-CD2 3.86Å; V42-L46 WeakPolarHBondContact O-CB 3.28Å; V42-L46 PolarHBondContact O-N 2.83Å; T43-L46 PolarHBondContact O-N 3.22Å; L46-L48 PolarHBondContact O-N 3.41Å; L46-C49 PolarHBondContact O-N 3.38Å; L46-L50 HydrophobicContact CD1-CD1 3.89Å; L46-L50 HydrophobicContact CD1-CG 4Å; L46-L50 HydrophobicContact CD2-CD1 4.48Å; L46-L50 HydrophobicContact CG-CD1 3.87Å; L46-L50 HydrophobicContact CG-CG 4.36Å; L46-L50 WeakPolarHBondContact O-CB 3.46Å; L46-L50 WeakPolarHBondContact O-CG 3.35Å; L46-L50 PolarHBondContact O-N 3.37Å; L46-G97 VanDerWaalsContact CD1-C 3.41Å; L46-G97 WeakPolarHBondContact CD1-O 3.43Å; L46-I98 HydrophobicContact CD1-CG1 4.07Å; L46-Y101 HydrophobicContact CD2-CD2 3.52Å; L46-Y101 HydrophobicContact CD2-CE2 4.11Å; L46-Y101 HydrophobicContact CD2-CG 3.92Å
47L91.5Very high90.2Very high28 Ų2863.8 Ų63.815%0.14732%0.316CS..Hα-helixtrans-61.1-44179.3-116.8134.2000112.2F21 L31 L32 T43 I44 M45 L50 I51F21-L47 HydrophobicContact CE2-CD2 4.13Å; F21-L47 HydrophobicContact CE2-CG 4.1Å; F21-L47 HydrophobicContact CZ-CD2 4.29Å; L31-L47 HydrophobicContact CD2-CD1 3.82Å; L31-L47 HydrophobicContact CD2-CG 4.26Å; L32-L47 HydrophobicContact CD2-CD1 3.65Å; L32-L47 HydrophobicContact CD2-CD2 4.33Å; T43-L47 HydrophobicContact CG2-CD1 4.36Å; T43-L47 WeakPolarHBondContact O-CB 3.25Å; T43-L47 PolarHBondContact O-N 2.95Å; I44-L47 PolarHBondContact O-N 3.33Å; M45-L47 VanDerWaalsContact C-N 3.34Å; M45-L47 PolarHBondContact O-N 3.48Å; L47-L50 PolarHBondContact O-N 2.9Å; L47-I51 HydrophobicContact CD2-CD1 3.69Å; L47-I51 HydrophobicContact CD2-CG1 4.42Å; L47-I51 WeakPolarHBondContact O-CB 3.38Å; L47-I51 VanDerWaalsContact O-CG1 3.28Å; L47-I51 WeakPolarHBondContact O-CG1 3.27Å; L47-I51 PolarHBondContact O-N 3.27Å
48L93.3Very high90.6Very high96 Ų9660.5 Ų60.550%0.50330%0.303SS..Hα-helixtrans-61.4-49.4175.8-79.2164.5000111.2I44 M45 L46 L50 I51 V52I44-L48 HydrophobicContact CG2-CD1 3.88Å; I44-L48 HydrophobicContact CG2-CG 4.49Å; I44-L48 WeakPolarHBondContact O-CB 3.29Å; I44-L48 WeakPolarHBondContact O-CG 3.33Å; I44-L48 PolarHBondContact O-N 3.11Å; M45-L48 PolarHBondContact O-N 3.21Å; L46-L48 PolarHBondContact O-N 3.41Å; L48-L50 VanDerWaalsContact C-N 3.31Å; L48-L50 PolarHBondContact O-N 3.47Å; L48-I51 PolarHBondContact O-N 3.08Å; L48-V52 VanDerWaalsContact O-CB 3.29Å; L48-V52 WeakPolarHBondContact O-CB 3.49Å; L48-V52 VanDerWaalsContact O-CG2 3.25Å; L48-V52 WeakPolarHBondContact O-CG2 3.2Å; L48-V52 PolarHBondContact O-N 2.94Å
49C92.9Very high91.1Very high31 Ų3155.3 Ų55.321%0.20929%0.289CS..Hα-helixtrans-59.8-41176.9-78.30000112.3M45 L46 G53 G93M45-C49 WeakPolarHBondContact O-CB 3.49Å; M45-C49 PolarHBondContact O-N 2.93Å; M45-C49 PolarHBondContact O-SG 3.49Å; L46-C49 PolarHBondContact O-N 3.38Å; C49-G53 WeakPolarHBondContact O-CA 3.44Å; C49-G53 PolarHBondContact O-N 3.49Å; C49-G93 WeakPolarHBondContact CB-O 3.37Å
50L90.2Very high91.3Very high6 Ų650.5 Ų50.53%0.03127%0.27CS..Hα-helixtrans-66.1-51.9176.9-78174.4000111.6I17 F21 L46 L47 L48 V52 G53 M54 I94I17-L50 HydrophobicContact CG2-CD2 4.02Å; F21-L50 HydrophobicContact CD2-CD1 3.98Å; L46-L50 HydrophobicContact CD1-CD1 3.89Å; L46-L50 HydrophobicContact CD1-CG 4Å; L46-L50 HydrophobicContact CD2-CD1 4.48Å; L46-L50 HydrophobicContact CG-CD1 3.87Å; L46-L50 HydrophobicContact CG-CG 4.36Å; L46-L50 WeakPolarHBondContact O-CB 3.46Å; L46-L50 WeakPolarHBondContact O-CG 3.35Å; L46-L50 PolarHBondContact O-N 3.37Å; L47-L50 PolarHBondContact O-N 2.9Å; L48-L50 VanDerWaalsContact C-N 3.31Å; L48-L50 PolarHBondContact O-N 3.47Å; L50-V52 PolarHBondContact O-N 3.26Å; L50-G53 PolarHBondContact O-N 2.87Å; L50-M54 WeakPolarHBondContact O-CB 3.38Å; L50-M54 WeakPolarHBondContact O-CG 2.85Å; L50-M54 PolarHBondContact O-N 3.46Å; L50-I94 HydrophobicContact CD2-CG1 4.46Å; L50-I94 HydrophobicContact CD2-CG2 3.62Å
51I92.9Very high91.4Very high105 Ų10546.2 Ų46.254%0.53825%0.252SS..Hα-helixtrans-62.2-47.6-178.1-69.5169.4000110.7L47 L48 S55L47-I51 HydrophobicContact CD2-CD1 3.69Å; L47-I51 HydrophobicContact CD2-CG1 4.42Å; L47-I51 WeakPolarHBondContact O-CB 3.38Å; L47-I51 VanDerWaalsContact O-CG1 3.28Å; L47-I51 WeakPolarHBondContact O-CG1 3.27Å; L47-I51 PolarHBondContact O-N 3.27Å; L48-I51 PolarHBondContact O-N 3.08Å; I51-S55 PolarHBondContact O-N 3.5Å; I51-S55 PolarHBondContact O-OG 2.92Å
52V94.5Very high91.5Very high70 Ų7044 Ų4442%0.42424%0.241SC..Hα-helixtrans-68.4-43.7-179.1174.70000110.9L48 L50 M54 S55 F56L48-V52 VanDerWaalsContact O-CB 3.29Å; L48-V52 WeakPolarHBondContact O-CB 3.49Å; L48-V52 VanDerWaalsContact O-CG2 3.25Å; L48-V52 WeakPolarHBondContact O-CG2 3.2Å; L48-V52 PolarHBondContact O-N 2.94Å; L50-V52 PolarHBondContact O-N 3.26Å; V52-M54 PolarHBondContact O-N 3.47Å; V52-S55 PolarHBondContact O-N 3.24Å; V52-S55 PolarHBondContact O-OG 3.39Å; V52-F56 HydrophobicContact CG1-CD2 3.91Å; V52-F56 HydrophobicContact CG1-CE2 3.53Å; V52-F56 WeakPolarHBondContact O-CD2 3.33Å; V52-F56 PolarHBondContact O-N 3.07Å
53G92.2Very high91.5Very high2 Ų245 Ų452%0.02125%0.245CC..Hα-helixtrans-66.2-39.2178.200000112.6C49 L50 F56 L57C49-G53 WeakPolarHBondContact O-CA 3.44Å; C49-G53 PolarHBondContact O-N 3.49Å; L50-G53 PolarHBondContact O-N 2.87Å; G53-F56 PolarHBondContact O-N 3.04Å; G53-L57 WeakPolarHBondContact O-CG 3.31Å; G53-L57 PolarHBondContact O-N 3.4Å
54M91.5Very high91.2Very high22 Ų2245.7 Ų45.711%0.10825%0.249CC..Hα-helixtrans-66.1-40176.4-75.4-65.9-71.300112.3I14 I17 V18 L50 V52 F56 L57 I58 I94I14-M54 HydrophobicContact CB-CE 4.33Å; I14-M54 HydrophobicContact CG2-CE 3.48Å; I14-M54 VanDerWaalsContact CG2-CE 3.48Å; I17-M54 HydrophobicContact CB-CE 4.41Å; I17-M54 HydrophobicContact CB-SD 3.8Å; I17-M54 HydrophobicContact CD1-SD 4.02Å; I17-M54 HydrophobicContact CG2-CE 4.34Å; I17-M54 HydrophobicContact CG2-CG 4.06Å; I17-M54 HydrophobicContact CG2-SD 3.44Å; I17-M54 WeakPolarHBondContact CG2-SD 3.21Å; V18-M54 HydrophobicContact CG2-CE 3.45Å; V18-M54 VanDerWaalsContact CG2-CE 3.45Å; L50-M54 WeakPolarHBondContact O-CB 3.38Å; L50-M54 WeakPolarHBondContact O-CG 2.85Å; L50-M54 PolarHBondContact O-N 3.46Å; V52-M54 PolarHBondContact O-N 3.47Å; M54-F56 VanDerWaalsContact C-N 3.33Å; M54-F56 PolarHBondContact O-N 3.2Å; M54-L57 PolarHBondContact O-N 3.41Å; M54-L57 HydrophobicContact SD-CD1 4.29Å; M54-I58 WeakPolarHBondContact O-CB 3.44Å; M54-I58 WeakPolarHBondContact O-CD1 3.49Å; M54-I58 VanDerWaalsContact O-CG1 3.23Å; M54-I58 WeakPolarHBondContact O-CG1 3.38Å; M54-I58 PolarHBondContact O-N 2.95Å; M54-I94 HydrophobicContact CG-CD1 4.03Å; M54-I94 HydrophobicContact SD-CD1 3.92Å
55S94.7Very high91Very high58 Ų5845.5 Ų45.541%0.40625%0.249SC..Hα-helixtrans-62.9-41175.959.20000111.4I51 V52 L57 I58 V59I51-S55 PolarHBondContact O-N 3.5Å; I51-S55 PolarHBondContact O-OG 2.92Å; V52-S55 PolarHBondContact O-N 3.24Å; V52-S55 PolarHBondContact O-OG 3.39Å; S55-L57 PolarHBondContact O-N 3.31Å; S55-I58 PolarHBondContact O-N 3.21Å; S55-V59 VanDerWaalsContact O-CG2 3.3Å; S55-V59 WeakPolarHBondContact O-CG2 3.37Å; S55-V59 PolarHBondContact O-N 2.85Å
56F93.9Very high90.7Very high74 Ų7444.1 Ų44.133%0.32525%0.245SC..Hα-helixtrans-62.4-41.8172.5-74.7-59.1000113.2V52 G53 M54 V59 A60 L86 I89V52-F56 HydrophobicContact CG1-CD2 3.91Å; V52-F56 HydrophobicContact CG1-CE2 3.53Å; V52-F56 WeakPolarHBondContact O-CD2 3.33Å; V52-F56 PolarHBondContact O-N 3.07Å; G53-F56 PolarHBondContact O-N 3.04Å; M54-F56 VanDerWaalsContact C-N 3.33Å; M54-F56 PolarHBondContact O-N 3.2Å; F56-V59 PolarHBondContact O-N 2.94Å; F56-A60 WeakPolarHBondContact O-CB 3.4Å; F56-A60 PolarHBondContact O-N 3.23Å; F56-L86 HydrophobicContact CD1-CD2 3.97Å; F56-L86 HydrophobicContact CD1-CG 4.1Å; F56-I89 HydrophobicContact CD2-CG2 4.03Å; F56-I89 HydrophobicContact CE2-CG2 4.09Å
57L90.3Very high90.2Very high0 Ų044.4 Ų44.40%025%0.247CC..Hα-helixtrans-64.3-39.5176.4-74.3179.6000112.6I14 I17 G53 M54 S55 A60 F61 V91 I94I14-L57 HydrophobicContact CD1-CB 4.23Å; I14-L57 HydrophobicContact CG1-CB 4.22Å; I17-L57 HydrophobicContact CD1-CD1 3.98Å; G53-L57 WeakPolarHBondContact O-CG 3.31Å; G53-L57 PolarHBondContact O-N 3.4Å; M54-L57 PolarHBondContact O-N 3.41Å; M54-L57 HydrophobicContact SD-CD1 4.29Å; S55-L57 PolarHBondContact O-N 3.31Å; L57-A60 PolarHBondContact O-N 3.07Å; L57-F61 WeakPolarHBondContact O-CB 3.46Å; L57-F61 PolarHBondContact O-N 2.92Å; L57-V91 HydrophobicContact CD2-CG2 4.05Å; L57-I94 HydrophobicContact CD1-CD1 3.55Å; L57-I94 HydrophobicContact CG-CD1 4.47Å
58I92.7Very high89.6Confident84 Ų8447.4 Ų47.443%0.43126%0.263SS..Hα-helixtrans-66.3-42.1177-69.7163.6000110.7M54 S55 F61 S62M54-I58 WeakPolarHBondContact O-CB 3.44Å; M54-I58 WeakPolarHBondContact O-CD1 3.49Å; M54-I58 VanDerWaalsContact O-CG1 3.23Å; M54-I58 WeakPolarHBondContact O-CG1 3.38Å; M54-I58 PolarHBondContact O-N 2.95Å; S55-I58 PolarHBondContact O-N 3.21Å; I58-F61 PolarHBondContact O-N 2.94Å; I58-S62 WeakPolarHBondContact O-CB 3.22Å; I58-S62 PolarHBondContact O-N 3.46Å; I58-S62 PolarHBondContact O-OG 3.44Å
59V93.2Very high88.9Confident68 Ų6851.2 Ų51.241%0.41228%0.275SS..Hα-helixtrans-63.4-45.8175176.10000109.8S55 F56 F61 S62 L63 L86S55-V59 VanDerWaalsContact O-CG2 3.3Å; S55-V59 WeakPolarHBondContact O-CG2 3.37Å; S55-V59 PolarHBondContact O-N 2.85Å; F56-V59 PolarHBondContact O-N 2.94Å; V59-F61 VanDerWaalsContact C-N 3.32Å; V59-F61 PolarHBondContact O-N 3.45Å; V59-S62 WeakPolarHBondContact O-CB 3.31Å; V59-S62 PolarHBondContact O-N 2.93Å; V59-S62 VanDerWaalsContact O-N 3.11Å; V59-L63 WeakPolarHBondContact O-CG 3.47Å; V59-L63 PolarHBondContact O-N 3.25Å; V59-L86 HydrophobicContact CB-CD2 3.78Å; V59-L86 HydrophobicContact CG1-CD2 3.44Å; V59-L86 VanDerWaalsContact CG1-CD2 3.44Å
60A89.9Confident88.1Confident0 Ų051.5 Ų51.50%028%0.278CS..Hα-helixtrans-58.3-43.5176.200000112.2F56 L57 S62 L63 D64 L86F56-A60 WeakPolarHBondContact O-CB 3.4Å; F56-A60 PolarHBondContact O-N 3.23Å; L57-A60 PolarHBondContact O-N 3.07Å; A60-S62 VanDerWaalsContact C-N 3.34Å; A60-S62 PolarHBondContact O-N 3.35Å; A60-L63 WeakPolarHBondContact O-CB 3.37Å; A60-L63 PolarHBondContact O-N 2.98Å; A60-D64 PolarHBondContact O-N 3.28Å; A60-L86 HydrophobicContact CB-CB 4.18Å
61F89.1Confident87.1Confident44 Ų4455.6 Ų55.619%0.19331%0.307CS..Hα-helixtrans-63.3-38.3174.9177.7-111000112.8L7 Q10 P11 I14 L57 I58 V59 L63 D64 L65L7-F61 HydrophobicContact CD1-CE2 4.17Å; Q10-F61 HydrophobicContact CB-CD2 4.17Å; Q10-F61 HydrophobicContact CG-CB 4.33Å; Q10-F61 HydrophobicContact CG-CD2 4.24Å; P11-F61 HydrophobicContact CB-CE2 4.09Å; P11-F61 HydrophobicContact CB-CZ 4.07Å; P11-F61 HydrophobicContact CG-CE2 3.8Å; P11-F61 HydrophobicContact CG-CZ 4.08Å; I14-F61 HydrophobicContact CD1-CB 4.17Å; L57-F61 WeakPolarHBondContact O-CB 3.46Å; L57-F61 PolarHBondContact O-N 2.92Å; I58-F61 PolarHBondContact O-N 2.94Å; V59-F61 VanDerWaalsContact C-N 3.32Å; V59-F61 PolarHBondContact O-N 3.45Å; F61-L63 VanDerWaalsContact C-N 3.33Å; F61-L63 PolarHBondContact O-N 3.18Å; F61-D64 WeakPolarHBondContact O-CB 3.3Å; F61-D64 PolarHBondContact O-N 3.23Å; F61-L65 HydrophobicContact CD1-CD1 4.02Å; F61-L65 HydrophobicContact CE1-CD1 3.49Å; F61-L65 VanDerWaalsContact CE1-CD1 3.49Å; F61-L65 HydrophobicContact CE1-CG 4.24Å; F61-L65 HydrophobicContact CZ-CD1 3.85Å; F61-L65 HydrophobicContact CZ-CG 4.15Å; F61-L65 PolarHBondContact O-N 3.42Å
62S90.8Very high85.9Confident55 Ų5554.3 Ų54.339%0.38531%0.307SS..Hα-helixtrans-64.3-39.8175.7-55.80000111.5I58 V59 A60 D64 L65 V66I58-S62 WeakPolarHBondContact O-CB 3.22Å; I58-S62 PolarHBondContact O-N 3.46Å; I58-S62 PolarHBondContact O-OG 3.44Å; V59-S62 WeakPolarHBondContact O-CB 3.31Å; V59-S62 PolarHBondContact O-N 2.93Å; V59-S62 VanDerWaalsContact O-N 3.11Å; A60-S62 VanDerWaalsContact C-N 3.34Å; A60-S62 PolarHBondContact O-N 3.35Å; S62-D64 VanDerWaalsContact C-N 3.3Å; S62-D64 PolarHBondContact O-N 3.34Å; S62-L65 WeakPolarHBondContact O-CB 3.41Å; S62-L65 PolarHBondContact O-N 2.79Å; S62-V66 WeakPolarHBondContact O-CG2 3.3Å; S62-V66 PolarHBondContact O-N 3.47Å
63L87.5Confident84.4Confident33 Ų3353.1 Ų53.117%0.17330%0.298CS..Hα-helixtrans-63-38.1173.8-62173.1000111.4V59 A60 F61 V66 T67 Y79 I82 K83V59-L63 WeakPolarHBondContact O-CG 3.47Å; V59-L63 PolarHBondContact O-N 3.25Å; A60-L63 WeakPolarHBondContact O-CB 3.37Å; A60-L63 PolarHBondContact O-N 2.98Å; F61-L63 VanDerWaalsContact C-N 3.33Å; F61-L63 PolarHBondContact O-N 3.18Å; L63-V66 PolarHBondContact O-N 3.11Å; L63-T67 PolarHBondContact O-N 3.39Å; L63-T67 PolarHBondContact O-OG1 3.35Å; L63-Y79 WeakPolarHBondContact CA-OH 3.43Å; L63-Y79 HydrophobicContact CB-CE1 4.08Å; L63-Y79 WeakPolarHBondContact CB-OH 3.42Å; L63-Y79 HydrophobicContact CD2-CE1 4.48Å; L63-Y79 HydrophobicContact CD2-CE2 3.8Å; L63-Y79 WeakPolarHBondContact CD2-OH 3.47Å; L63-Y79 PolarHBondContact O-OH 2.82Å; L63-I82 HydrophobicContact CD1-CG2 4.43Å; L63-K83 HydrophobicContact CB-CG 4.23Å; L63-K83 HydrophobicContact CD1-CB 4.27Å; L63-K83 HydrophobicContact CD1-CG 4.48Å
64D82.6Confident83Confident15 Ų1555.4 Ų55.48%0.0831%0.31CS..Hα-helixtrans-61.3-43.8173.9-96.5-38.3000112.6L7 A60 F61 S62 T67 I68 K83L7-D64 HydrophobicContact CD1-CB 4.15Å; A60-D64 PolarHBondContact O-N 3.28Å; F61-D64 WeakPolarHBondContact O-CB 3.3Å; F61-D64 PolarHBondContact O-N 3.23Å; S62-D64 VanDerWaalsContact C-N 3.3Å; S62-D64 PolarHBondContact O-N 3.34Å; D64-T67 WeakPolarHBondContact CA-OG1 3.3Å; D64-T67 PolarHBondContact O-N 2.97Å; D64-T67 PolarHBondContact O-OG1 3.49Å; D64-I68 PolarHBondContact O-N 2.88Å; D64-K83 HydrophobicContact CB-CD 4.5Å; D64-K83 VanDerWaalsContact OD1-CD 3.29Å; D64-K83 WeakPolarHBondContact OD1-CD 3.45Å; D64-K83 WeakPolarHBondContact OD1-CE 3.4Å; D64-K83 IonicContact OD1-NZ 2.59Å; D64-K83 PolarHBondContact OD1-NZ 3.47Å; D64-K83 IonicContact OD2-NZ 3.49Å; D64-K83 PolarHBondContact OD2-NZ 3.14Å
65L85Confident81.8Confident65 Ų6561.1 Ų61.134%0.3434%0.34SS..Hα-helixtrans-59.8-46.8174.2-81.8164000111.5L7 F61 S62 T67 I68 F69L7-L65 HydrophobicContact CD1-CD2 4.42Å; L7-L65 HydrophobicContact CD1-CG 4.47Å; F61-L65 HydrophobicContact CD1-CD1 4.02Å; F61-L65 HydrophobicContact CE1-CD1 3.49Å; F61-L65 VanDerWaalsContact CE1-CD1 3.49Å; F61-L65 HydrophobicContact CE1-CG 4.24Å; F61-L65 HydrophobicContact CZ-CD1 3.85Å; F61-L65 HydrophobicContact CZ-CG 4.15Å; F61-L65 PolarHBondContact O-N 3.42Å; S62-L65 WeakPolarHBondContact O-CB 3.41Å; S62-L65 PolarHBondContact O-N 2.79Å; L65-T67 VanDerWaalsContact C-N 3.28Å; L65-T67 PolarHBondContact O-N 3.39Å; L65-I68 WeakPolarHBondContact O-CB 3.1Å; L65-I68 PolarHBondContact O-N 3.49Å; L65-I68 VanDerWaalsContact O-N 3.14Å; L65-F69 WeakPolarHBondContact O-CD2 3.46Å; L65-F69 PolarHBondContact O-N 3Å
66V86.3Confident80.9Confident69 Ų6962.7 Ų62.742%0.41834%0.344SS..Hα-helixtrans-61.5-37.6179.3173.40000111.6S62 L63 I68 F69 S70 L73S62-V66 WeakPolarHBondContact O-CG2 3.3Å; S62-V66 PolarHBondContact O-N 3.47Å; L63-V66 PolarHBondContact O-N 3.11Å; V66-I68 PolarHBondContact O-N 3.23Å; V66-F69 PolarHBondContact O-N 3.47Å; V66-S70 PolarHBondContact O-N 2.88Å; V66-L73 HydrophobicContact CG1-CD1 4.43Å
67T80.3Confident79.9Confident8 Ų862.6 Ų62.65%0.04935%0.351CS..Hα-helixtrans-69.8-18179.310.90000113.9L63 D64 L65 L73 N74 Y79L63-T67 PolarHBondContact O-N 3.39Å; L63-T67 PolarHBondContact O-OG1 3.35Å; D64-T67 WeakPolarHBondContact CA-OG1 3.3Å; D64-T67 PolarHBondContact O-N 2.97Å; D64-T67 PolarHBondContact O-OG1 3.49Å; L65-T67 VanDerWaalsContact C-N 3.28Å; L65-T67 PolarHBondContact O-N 3.39Å; T67-L73 HydrophobicContact CG2-CB 4.18Å; T67-N74 HydrophobicContact CG2-CB 4.21Å; T67-Y79 HydrophobicContact CG2-CD1 4.02Å; T67-Y79 HydrophobicContact CG2-CE1 3.82Å
68I77.9Confident79.5Confident91 Ų9167.1 Ų67.147%0.46738%0.378SS..Hα-helixtrans-74.9-43.3172.2-70.4172.7000110.6L7 D64 L65 V66 S70L7-I68 HydrophobicContact CB-CD1 4.42Å; L7-I68 HydrophobicContact CD1-CD1 3.39Å; L7-I68 HydrophobicContact CD2-CD1 3.26Å; L7-I68 HydrophobicContact CG-CD1 3.81Å; D64-I68 PolarHBondContact O-N 2.88Å; L65-I68 WeakPolarHBondContact O-CB 3.1Å; L65-I68 PolarHBondContact O-N 3.49Å; L65-I68 VanDerWaalsContact O-N 3.14Å; V66-I68 PolarHBondContact O-N 3.23Å; I68-S70 VanDerWaalsContact C-N 3.34Å
69F79.3Confident78.9Confident175 Ų17565 Ų6577%0.76837%0.366SS*.Hα-helixtrans-73.6-27.6179.9-64.7-70.1000112.7L65 V66L65-F69 WeakPolarHBondContact O-CD2 3.46Å; L65-F69 PolarHBondContact O-N 3Å; V66-F69 PolarHBondContact O-N 3.47Å
70S76.3Confident78.3Confident38 Ų3862.8 Ų62.827%0.26635%0.352SS..  trans-126.297.1-179.4-165.60000112.2V66 I68 S72 L73V66-S70 PolarHBondContact O-N 2.88Å; I68-S70 VanDerWaalsContact C-N 3.34Å; S70-S72 PolarHBondContact O-N 3.19Å; S70-S72 PolarHBondContact OG-OG 3.43Å; S70-L73 PolarHBondContact O-N 3.36Å; S70-L73 WeakPolarHBondContact OG-CD1 3.49Å
71S68.2Low77.9Confident92 Ų9265.3 Ų65.364%0.64337%0.368SS*.THydrogen-bonded Turntrans-63.6-22.6177.2-73.50000113.4N74S71-N74 WeakPolarHBondContact O-CB 3.42Å; S71-N74 PolarHBondContact O-N 2.99Å
72S67.8Low77.8Confident77 Ų7767.1 Ų67.154%0.53838%0.378SS..THydrogen-bonded Turntrans-68.8-35.5179.464.70000112.5S70 N74 L75S70-S72 PolarHBondContact O-N 3.19Å; S70-S72 PolarHBondContact OG-OG 3.43Å; S72-N74 PolarHBondContact O-N 3.49Å; S72-L75 PolarHBondContact O-N 2.87Å
73L63.3Low77.5Confident46 Ų4665.2 Ų65.224%0.24136%0.363CS..G310 helixtrans-65.2-25.6176.1-87.7125.7000112.7V66 T67 S70 L75 N76 Y79V66-L73 HydrophobicContact CG1-CD1 4.43Å; T67-L73 HydrophobicContact CG2-CB 4.18Å; S70-L73 PolarHBondContact O-N 3.36Å; S70-L73 WeakPolarHBondContact OG-CD1 3.49Å; L73-L75 PolarHBondContact O-N 3.1Å; L73-N76 WeakPolarHBondContact O-CB 3.46Å; L73-N76 PolarHBondContact O-N 3.41Å; L73-N76 VanDerWaalsContact O-N 3.14Å; L73-Y79 HydrophobicContact CD2-CD1 4.48Å; L73-Y79 HydrophobicContact CD2-CD2 3.64Å; L73-Y79 HydrophobicContact CD2-CE1 4.5Å; L73-Y79 HydrophobicContact CD2-CE2 3.65Å; L73-Y79 HydrophobicContact CD2-CG 4.05Å
74N62.8Low77.5Confident49 Ų4964.5 Ų64.526%0.26236%0.359SS..G310 helixtrans-68.5-21.6178.6-121.6-44.9000113.2K3 T67 S71 S72 N76K3-N74 PolarHBondContact NZ-ND2 3.1Å; K3-N74 PolarHBondContact NZ-OD1 3.45Å; T67-N74 HydrophobicContact CG2-CB 4.21Å; S71-N74 WeakPolarHBondContact O-CB 3.42Å; S71-N74 PolarHBondContact O-N 2.99Å; S72-N74 PolarHBondContact O-N 3.49Å; N74-N76 VanDerWaalsContact C-N 3.33Å
75L66.4Low77.8Confident143 Ų14367.9 Ų67.975%0.74938%0.376SS*.G310 helixtrans-81.5-16.1175.4-76.7127.8000112.3S72 L73 P77S72-L75 PolarHBondContact O-N 2.87Å; L73-L75 PolarHBondContact O-N 3.1Å; L75-P77 WeakPolarHBondContact O-CD 3.34Å
76N75.4Confident78.1Confident90 Ų9066.1 Ų66.148%0.48137%0.367SS..  trans-78.6109.6178.1-73.3-13.5000109.5L73 N74 T78 Y79L73-N76 WeakPolarHBondContact O-CB 3.46Å; L73-N76 PolarHBondContact O-N 3.41Å; L73-N76 VanDerWaalsContact O-N 3.14Å; N74-N76 VanDerWaalsContact C-N 3.33Å; N76-T78 PolarHBondContact O-N 3.06Å; N76-Y79 PolarHBondContact O-N 3.45Å
77P73.7Confident78.2Confident73 Ų7362.9 Ų62.947%0.47435%0.348SS..Hα-helixtrans-60.5-38.6-178.224.7-33000110.4L75 Y79 T80 T81 Y132L75-P77 WeakPolarHBondContact O-CD 3.34Å; P77-Y79 VanDerWaalsContact C-N 3.3Å; P77-Y79 PolarHBondContact O-N 2.92Å; P77-T80 PolarHBondContact O-N 3.28Å; P77-T81 PolarHBondContact O-N 3.37Å; P77-T81 VanDerWaalsContact O-N 3.09Å; P77-T81 PolarHBondContact O-OG1 3.41Å; P77-Y132 PolarHBondContact O-OH 2.94Å
78T81Confident78.7Confident94 Ų9466 Ų6658%0.57736%0.364SS*.Hα-helixtrans-57.5-39.5-179.9-38.20000113.2N76 T81 I82N76-T78 PolarHBondContact O-N 3.06Å; T78-T81 VanDerWaalsContact CA-OG1 3.31Å; T78-T81 WeakPolarHBondContact CA-OG1 3.46Å; T78-T81 PolarHBondContact O-N 3.29Å; T78-T81 PolarHBondContact O-OG1 3.09Å; T78-I82 HydrophobicContact CG2-CD1 4.16Å; T78-I82 VanDerWaalsContact O-CG1 3.27Å; T78-I82 WeakPolarHBondContact O-CG1 3.37Å; T78-I82 PolarHBondContact O-N 3.35Å
79Y81.2Confident79.4Confident41 Ų4165.8 Ų65.816%0.16136%0.363CS..Hα-helixtrans-68-41.8-178.5-169.4-94000111.1L63 T67 L73 N76 P77 T81 I82 K83L63-Y79 WeakPolarHBondContact CA-OH 3.43Å; L63-Y79 HydrophobicContact CB-CE1 4.08Å; L63-Y79 WeakPolarHBondContact CB-OH 3.42Å; L63-Y79 HydrophobicContact CD2-CE1 4.48Å; L63-Y79 HydrophobicContact CD2-CE2 3.8Å; L63-Y79 WeakPolarHBondContact CD2-OH 3.47Å; L63-Y79 PolarHBondContact O-OH 2.82Å; T67-Y79 HydrophobicContact CG2-CD1 4.02Å; T67-Y79 HydrophobicContact CG2-CE1 3.82Å; L73-Y79 HydrophobicContact CD2-CD1 4.48Å; L73-Y79 HydrophobicContact CD2-CD2 3.64Å; L73-Y79 HydrophobicContact CD2-CE1 4.5Å; L73-Y79 HydrophobicContact CD2-CE2 3.65Å; L73-Y79 HydrophobicContact CD2-CG 4.05Å; N76-Y79 PolarHBondContact O-N 3.45Å; P77-Y79 VanDerWaalsContact C-N 3.3Å; P77-Y79 PolarHBondContact O-N 2.92Å; Y79-T81 VanDerWaalsContact C-N 3.26Å; Y79-T81 PolarHBondContact O-N 2.81Å; Y79-I82 PolarHBondContact O-N 3.33Å; Y79-K83 PolarHBondContact O-N 3.42Å; Y79-K83 VanDerWaalsContact O-N 3.09Å
80T78.7Confident79.9Confident21 Ų2157.5 Ų57.513%0.12933%0.326CS..Hα-helixtrans-64.9-33.5177-46.30000110.9P77 L84 Y132P77-T80 PolarHBondContact O-N 3.28Å; T80-L84 WeakPolarHBondContact O-CB 3.1Å; T80-L84 PolarHBondContact O-N 3.44Å; T80-Y132 VanDerWaalsContact C-OH 3.27Å; T80-Y132 HydrophobicContact CG2-CD2 3.88Å; T80-Y132 HydrophobicContact CG2-CE2 3.42Å; T80-Y132 VanDerWaalsContact CG2-CE2 3.42Å
81T82.7Confident80.6Confident53 Ų5356.2 Ų56.233%0.32532%0.317SS..Hα-helixtrans-73-45.4-177.7-1.90000109.7P77 T78 Y79 K83 L84 I85 Y132P77-T81 PolarHBondContact O-N 3.37Å; P77-T81 VanDerWaalsContact O-N 3.09Å; P77-T81 PolarHBondContact O-OG1 3.41Å; T78-T81 VanDerWaalsContact CA-OG1 3.31Å; T78-T81 WeakPolarHBondContact CA-OG1 3.46Å; T78-T81 PolarHBondContact O-N 3.29Å; T78-T81 PolarHBondContact O-OG1 3.09Å; Y79-T81 VanDerWaalsContact C-N 3.26Å; Y79-T81 PolarHBondContact O-N 2.81Å; T81-K83 VanDerWaalsContact C-N 3.3Å; T81-K83 PolarHBondContact O-N 2.98Å; T81-L84 PolarHBondContact O-N 3.14Å; T81-I85 HydrophobicContact CG2-CD1 4.47Å; T81-I85 WeakPolarHBondContact O-CB 3.25Å; T81-I85 VanDerWaalsContact O-CG1 3.23Å; T81-I85 WeakPolarHBondContact O-CG1 3.44Å; T81-I85 PolarHBondContact O-N 3.36Å; T81-Y132 WeakPolarHBondContact CA-OH 3.27Å; T81-Y132 WeakPolarHBondContact CB-OH 3.23Å; T81-Y132 WeakPolarHBondContact CG2-OH 3.16Å; T81-Y132 PolarHBondContact N-OH 3.05Å; T81-Y132 PolarHBondContact OG1-OH 3.43Å
82I86.8Confident81.6Confident82 Ų8256.5 Ų56.542%0.42131%0.31SS..Hα-helixtrans-56.9-48.7176.7-70166.9000109.4L63 T78 Y79 L84 I85 L86L63-I82 HydrophobicContact CD1-CG2 4.43Å; T78-I82 HydrophobicContact CG2-CD1 4.16Å; T78-I82 VanDerWaalsContact O-CG1 3.27Å; T78-I82 WeakPolarHBondContact O-CG1 3.37Å; T78-I82 PolarHBondContact O-N 3.35Å; Y79-I82 PolarHBondContact O-N 3.33Å; I82-L84 VanDerWaalsContact C-N 3.34Å; I82-L84 PolarHBondContact O-N 3.29Å; I82-I85 PolarHBondContact O-N 3.41Å; I82-L86 HydrophobicContact CG2-CD1 3.47Å; I82-L86 VanDerWaalsContact CG2-CD1 3.47Å; I82-L86 WeakPolarHBondContact O-CD1 3.45Å; I82-L86 PolarHBondContact O-N 3.42Å
83K85.4Confident82.8Confident15 Ų1553.9 Ų53.97%0.06530%0.295CS..Hα-helixtrans-55.8-48.4177.4-169.9-168.481.2168.50112.3L63 D64 Y79 T81 L86 S87 N128L63-K83 HydrophobicContact CB-CG 4.23Å; L63-K83 HydrophobicContact CD1-CB 4.27Å; L63-K83 HydrophobicContact CD1-CG 4.48Å; D64-K83 HydrophobicContact CB-CD 4.5Å; D64-K83 VanDerWaalsContact OD1-CD 3.29Å; D64-K83 WeakPolarHBondContact OD1-CD 3.45Å; D64-K83 WeakPolarHBondContact OD1-CE 3.4Å; D64-K83 IonicContact OD1-NZ 2.59Å; D64-K83 PolarHBondContact OD1-NZ 3.47Å; D64-K83 IonicContact OD2-NZ 3.49Å; D64-K83 PolarHBondContact OD2-NZ 3.14Å; Y79-K83 PolarHBondContact O-N 3.42Å; Y79-K83 VanDerWaalsContact O-N 3.09Å; T81-K83 VanDerWaalsContact C-N 3.3Å; T81-K83 PolarHBondContact O-N 2.98Å; K83-L86 PolarHBondContact O-N 3.35Å; K83-S87 WeakPolarHBondContact O-CB 3.48Å; K83-S87 PolarHBondContact O-N 3.22Å; K83-N128 PolarHBondContact NZ-OD1 3.29Å
84L85.7Confident84.1Confident17 Ų1751.7 Ų51.79%0.08928%0.284CS..Hα-helixtrans-62-45.7179.9-177.575.4000111.4T80 T81 I82 S87 L88 A125 N128 L129 Y132T80-L84 WeakPolarHBondContact O-CB 3.1Å; T80-L84 PolarHBondContact O-N 3.44Å; T81-L84 PolarHBondContact O-N 3.14Å; I82-L84 VanDerWaalsContact C-N 3.34Å; I82-L84 PolarHBondContact O-N 3.29Å; L84-S87 PolarHBondContact O-N 3.23Å; L84-L88 HydrophobicContact CG-CD1 4.19Å; L84-L88 WeakPolarHBondContact O-CB 3.41Å; L84-L88 PolarHBondContact O-N 3.06Å; L84-A125 WeakPolarHBondContact CD1-O 3.48Å; L84-N128 HydrophobicContact CD1-CB 4.03Å; L84-L129 HydrophobicContact CD1-CB 4.12Å; L84-L129 HydrophobicContact CD1-CD1 4.42Å; L84-L129 HydrophobicContact CD2-CD1 3.58Å; L84-Y132 HydrophobicContact CD2-CD2 4.4Å; L84-Y132 HydrophobicContact CD2-CE2 4.34Å
85I89.9Confident85.4Confident86 Ų8654.6 Ų54.644%0.44129%0.294SS..Hα-helixtrans-62.9-46.5179.5-69.4165.6000110.6T81 I82 S87 L88 I89T81-I85 HydrophobicContact CG2-CD1 4.47Å; T81-I85 WeakPolarHBondContact O-CB 3.25Å; T81-I85 VanDerWaalsContact O-CG1 3.23Å; T81-I85 WeakPolarHBondContact O-CG1 3.44Å; T81-I85 PolarHBondContact O-N 3.36Å; I82-I85 PolarHBondContact O-N 3.41Å; I85-S87 VanDerWaalsContact C-N 3.32Å; I85-S87 PolarHBondContact O-N 3.48Å; I85-L88 PolarHBondContact O-N 2.97Å; I85-I89 HydrophobicContact CG2-CD1 3.6Å; I85-I89 HydrophobicContact CG2-CG1 4.29Å; I85-I89 WeakPolarHBondContact O-CB 3.13Å; I85-I89 VanDerWaalsContact O-CG1 3.3Å; I85-I89 WeakPolarHBondContact O-CG1 3.33Å; I85-I89 PolarHBondContact O-N 3.2Å
86L91.7Very high86.5Confident29 Ų2952.3 Ų52.315%0.15228%0.282CS..Hα-helixtrans-59-44.8175.9-92.292.4000111.5F56 V59 A60 I82 K83 L88 I89 G90F56-L86 HydrophobicContact CD1-CD2 3.97Å; F56-L86 HydrophobicContact CD1-CG 4.1Å; V59-L86 HydrophobicContact CB-CD2 3.78Å; V59-L86 HydrophobicContact CG1-CD2 3.44Å; V59-L86 VanDerWaalsContact CG1-CD2 3.44Å; A60-L86 HydrophobicContact CB-CB 4.18Å; I82-L86 HydrophobicContact CG2-CD1 3.47Å; I82-L86 VanDerWaalsContact CG2-CD1 3.47Å; I82-L86 WeakPolarHBondContact O-CD1 3.45Å; I82-L86 PolarHBondContact O-N 3.42Å; K83-L86 PolarHBondContact O-N 3.35Å; L86-L88 VanDerWaalsContact C-N 3.34Å; L86-L88 PolarHBondContact O-N 2.92Å; L86-I89 PolarHBondContact O-N 3.33Å; L86-G90 PolarHBondContact O-N 2.77Å
87S88.6Confident87.1Confident1 Ų148 Ų481%0.00726%0.259CS..Hα-helixtrans-62.6-42.4178.6-1650000111.6K83 L84 I85 G90 V91K83-S87 WeakPolarHBondContact O-CB 3.48Å; K83-S87 PolarHBondContact O-N 3.22Å; L84-S87 PolarHBondContact O-N 3.23Å; I85-S87 VanDerWaalsContact C-N 3.32Å; I85-S87 PolarHBondContact O-N 3.48Å; S87-G90 PolarHBondContact O-N 3.29Å; S87-V91 VanDerWaalsContact O-CG2 3.29Å; S87-V91 WeakPolarHBondContact O-CG2 3.3Å; S87-V91 PolarHBondContact O-N 3.02Å
88L89.2Confident87.8Confident74 Ų7444.8 Ų44.839%0.38724%0.238SC..Hα-helixtrans-63.6-48.9177.3-101154.5000112.1L84 I85 L86 G90 V91 I92L84-L88 HydrophobicContact CG-CD1 4.19Å; L84-L88 WeakPolarHBondContact O-CB 3.41Å; L84-L88 PolarHBondContact O-N 3.06Å; I85-L88 PolarHBondContact O-N 2.97Å; L86-L88 VanDerWaalsContact C-N 3.34Å; L86-L88 PolarHBondContact O-N 2.92Å; L88-G90 VanDerWaalsContact C-N 3.29Å; L88-G90 PolarHBondContact O-N 3.36Å; L88-V91 PolarHBondContact O-N 3.31Å; L88-I92 HydrophobicContact CD2-CD1 3.95Å; L88-I92 WeakPolarHBondContact O-CB 3.38Å; L88-I92 WeakPolarHBondContact O-CG1 3.29Å; L88-I92 PolarHBondContact O-N 3.05Å
89I92.6Very high88.1Confident86 Ų8645.4 Ų45.444%0.44123%0.233SC..Hα-helixtrans-60.1-42.8178.1-67.9169.7000110.2F56 I85 L86 G93F56-I89 HydrophobicContact CD2-CG2 4.03Å; F56-I89 HydrophobicContact CE2-CG2 4.09Å; I85-I89 HydrophobicContact CG2-CD1 3.6Å; I85-I89 HydrophobicContact CG2-CG1 4.29Å; I85-I89 WeakPolarHBondContact O-CB 3.13Å; I85-I89 VanDerWaalsContact O-CG1 3.3Å; I85-I89 WeakPolarHBondContact O-CG1 3.33Å; I85-I89 PolarHBondContact O-N 3.2Å; L86-I89 PolarHBondContact O-N 3.33Å; I89-G93 PolarHBondContact O-N 3.14Å
90G90.8Very high88.4Confident0 Ų047.1 Ų47.10%025%0.245CC..Hα-helixtrans-59.9-52176.300000112.6L86 S87 L88 I92 G93 I94L86-G90 PolarHBondContact O-N 2.77Å; S87-G90 PolarHBondContact O-N 3.29Å; L88-G90 VanDerWaalsContact C-N 3.29Å; L88-G90 PolarHBondContact O-N 3.36Å; G90-I92 PolarHBondContact O-N 3Å; G90-G93 PolarHBondContact O-N 3.34Å; G90-I94 VanDerWaalsContact O-CG1 3.3Å; G90-I94 WeakPolarHBondContact O-CG1 3.47Å; G90-I94 PolarHBondContact O-N 3.46Å; G90-I94 VanDerWaalsContact O-N 3.1Å
91V90.1Very high88.7Confident12 Ų1246.1 Ų46.17%0.07324%0.238CC..Hα-helixtrans-61-47178.8173.40000111.4L57 S87 L88 G93 I94 F95 I118 A121 C122L57-V91 HydrophobicContact CD2-CG2 4.05Å; S87-V91 VanDerWaalsContact O-CG2 3.29Å; S87-V91 WeakPolarHBondContact O-CG2 3.3Å; S87-V91 PolarHBondContact O-N 3.02Å; L88-V91 PolarHBondContact O-N 3.31Å; V91-G93 PolarHBondContact O-N 3.02Å; V91-I94 PolarHBondContact O-N 3.34Å; V91-F95 VanDerWaalsContact O-CB 3.3Å; V91-F95 WeakPolarHBondContact O-CB 3.48Å; V91-F95 PolarHBondContact O-N 3.38Å; V91-I118 HydrophobicContact CG1-CG2 4.01Å; V91-A121 HydrophobicContact CG2-CB 3.75Å; V91-C122 HydrophobicContact CG1-CB 4.09Å
92I90.7Very high88.9Confident97 Ų9745.4 Ų45.450%0.49724%0.238SC..Hα-helixtrans-63.5-42.5-179.9-68167000110.6L88 G90 F95 L96L88-I92 HydrophobicContact CD2-CD1 3.95Å; L88-I92 WeakPolarHBondContact O-CB 3.38Å; L88-I92 WeakPolarHBondContact O-CG1 3.29Å; L88-I92 PolarHBondContact O-N 3.05Å; G90-I92 PolarHBondContact O-N 3Å; I92-F95 PolarHBondContact O-N 3.36Å; I92-L96 WeakPolarHBondContact O-CB 3.1Å; I92-L96 PolarHBondContact O-N 3.29Å
93G91.8Very high88.8Confident22 Ų2247 Ų4723%0.22725%0.246CC..Hα-helixtrans-60.7-47.617900000112.6C49 I89 G90 V91 L96 G97C49-G93 WeakPolarHBondContact CB-O 3.37Å; I89-G93 PolarHBondContact O-N 3.14Å; G90-G93 PolarHBondContact O-N 3.34Å; V91-G93 PolarHBondContact O-N 3.02Å; G93-L96 PolarHBondContact O-N 3.21Å; G93-G97 PolarHBondContact O-N 3.19Å
94I90.3Very high88.7Confident1 Ų152.4 Ų52.41%0.00527%0.269CS..Hα-helixtrans-65.5-43.2177.7-61.1172.5000110.1I17 L50 M54 L57 G90 V91 L96 G97 I98 I118I17-I94 HydrophobicContact CD1-CD1 3.96Å; I17-I94 HydrophobicContact CG2-CD1 4.4Å; I17-I94 HydrophobicContact CG2-CG2 4.39Å; L50-I94 HydrophobicContact CD2-CG1 4.46Å; L50-I94 HydrophobicContact CD2-CG2 3.62Å; M54-I94 HydrophobicContact CG-CD1 4.03Å; M54-I94 HydrophobicContact SD-CD1 3.92Å; L57-I94 HydrophobicContact CD1-CD1 3.55Å; L57-I94 HydrophobicContact CG-CD1 4.47Å; G90-I94 VanDerWaalsContact O-CG1 3.3Å; G90-I94 WeakPolarHBondContact O-CG1 3.47Å; G90-I94 PolarHBondContact O-N 3.46Å; G90-I94 VanDerWaalsContact O-N 3.1Å; V91-I94 PolarHBondContact O-N 3.34Å; I94-L96 PolarHBondContact O-N 3.05Å; I94-G97 PolarHBondContact O-N 3.49Å; I94-I98 HydrophobicContact CG2-CD1 4.22Å; I94-I98 WeakPolarHBondContact O-CG1 3.4Å; I94-I98 PolarHBondContact O-N 3.49Å; I94-I118 HydrophobicContact CB-CD1 4.27Å; I94-I118 HydrophobicContact CB-CG1 4.41Å; I94-I118 HydrophobicContact CG2-CD1 3.58Å; I94-I118 HydrophobicContact CG2-CG1 3.71Å
95F90.2Very high88.4Confident109 Ų10952.2 Ų52.248%0.47827%0.268SS..Hα-helixtrans-59.5-45.1177.1-177.1-98.9000112.1V91 I92 G97 I98 F99 I118V91-F95 VanDerWaalsContact O-CB 3.3Å; V91-F95 WeakPolarHBondContact O-CB 3.48Å; V91-F95 PolarHBondContact O-N 3.38Å; I92-F95 PolarHBondContact O-N 3.36Å; F95-G97 VanDerWaalsContact C-N 3.34Å; F95-G97 PolarHBondContact O-N 2.88Å; F95-I98 PolarHBondContact O-N 3.45Å; F95-F99 VanDerWaalsContact O-CB 3.22Å; F95-F99 WeakPolarHBondContact O-CB 3.36Å; F95-F99 PolarHBondContact O-N 3.48Å; F95-I118 HydrophobicContact CB-CD1 4.13Å; F95-I118 HydrophobicContact CB-CG2 4.33Å; F95-I118 HydrophobicContact CD2-CD1 4.36Å; F95-I118 HydrophobicContact CD2-CG2 4.17Å
96L89.8Confident87.6Confident95 Ų9555 Ų5550%0.49728%0.284SS..Hα-helixtrans-62-43.3177.6-154.692.6000111.3I92 G93 I94 I98 F99 L100I92-L96 WeakPolarHBondContact O-CB 3.1Å; I92-L96 PolarHBondContact O-N 3.29Å; G93-L96 PolarHBondContact O-N 3.21Å; I94-L96 PolarHBondContact O-N 3.05Å; L96-I98 PolarHBondContact O-N 2.89Å; L96-F99 PolarHBondContact O-N 3.46Å; L96-L100 HydrophobicContact CD2-CD1 4.49Å; L96-L100 VanDerWaalsContact O-CG 3.3Å; L96-L100 WeakPolarHBondContact O-CG 3.36Å; L96-L100 PolarHBondContact O-N 2.98Å
97G87.9Confident86.4Confident0 Ų064.1 Ų64.10%032%0.316CS..Hα-helixtrans-58.4-48.3176.300000112.2L46 G93 I94 F95 L100 Y101L46-G97 VanDerWaalsContact CD1-C 3.41Å; L46-G97 WeakPolarHBondContact CD1-O 3.43Å; G93-G97 PolarHBondContact O-N 3.19Å; I94-G97 PolarHBondContact O-N 3.49Å; F95-G97 VanDerWaalsContact C-N 3.34Å; F95-G97 PolarHBondContact O-N 2.88Å; G97-L100 PolarHBondContact O-N 3.34Å; G97-Y101 PolarHBondContact O-N 3.26Å; G97-Y101 VanDerWaalsContact O-N 3.11Å
98I88.2Confident86Confident5 Ų566.4 Ų66.43%0.02633%0.329CS..Hα-helixtrans-66.5-38.9177.6-65.8-177.4000111.5L46 I94 F95 L96 Y101 A102 Q111 C114 V115 I118L46-I98 HydrophobicContact CD1-CG1 4.07Å; I94-I98 HydrophobicContact CG2-CD1 4.22Å; I94-I98 WeakPolarHBondContact O-CG1 3.4Å; I94-I98 PolarHBondContact O-N 3.49Å; F95-I98 PolarHBondContact O-N 3.45Å; L96-I98 PolarHBondContact O-N 2.89Å; I98-Y101 WeakPolarHBondContact O-CB 3.46Å; I98-Y101 PolarHBondContact O-N 3.5Å; I98-A102 VanDerWaalsContact O-CB 3.31Å; I98-A102 WeakPolarHBondContact O-CB 3.42Å; I98-A102 PolarHBondContact O-N 3.47Å; I98-Q111 HydrophobicContact CG2-CG 3.8Å; I98-C114 HydrophobicContact CD1-CB 3.28Å; I98-C114 HydrophobicContact CG1-CB 4.45Å; I98-V115 HydrophobicContact CG2-CG2 4.03Å; I98-I118 HydrophobicContact CD1-CD1 3.42Å; I98-I118 VanDerWaalsContact CD1-CD1 3.42Å; I98-I118 HydrophobicContact CD1-CG1 4.41Å; I98-I118 HydrophobicContact CG1-CD1 4.33Å
99F88.3Confident85.4Confident108 Ų10870.9 Ų70.947%0.47434%0.341SS..Hα-helixtrans-63.2-43.6178.8-174.2-104.7000111.4F95 L96 Y101 A102 I103F95-F99 VanDerWaalsContact O-CB 3.22Å; F95-F99 WeakPolarHBondContact O-CB 3.36Å; F95-F99 PolarHBondContact O-N 3.48Å; L96-F99 PolarHBondContact O-N 3.46Å; F99-Y101 VanDerWaalsContact C-N 3.3Å; F99-Y101 PolarHBondContact O-N 3.34Å; F99-A102 WeakPolarHBondContact O-CB 3.5Å; F99-A102 PolarHBondContact O-N 2.93Å; F99-I103 HydrophobicContact CD1-CD1 3.74Å; F99-I103 HydrophobicContact CE1-CD1 3.42Å; F99-I103 VanDerWaalsContact CE1-CD1 3.42Å; F99-I103 HydrophobicContact CE1-CG1 4.38Å; F99-I103 HydrophobicContact CG-CD1 4.49Å; F99-I103 HydrophobicContact CZ-CD1 3.92Å; F99-I103 HydrophobicContact CZ-CG1 4.49Å; F99-I103 WeakPolarHBondContact O-CG1 3.23Å; F99-I103 PolarHBondContact O-N 3.37Å; F99-I103 VanDerWaalsContact O-N 3.14Å
100L87.5Confident84.8Confident77 Ų7766.8 Ų66.840%0.40332%0.32SS..Hα-helixtrans-62.2-37.7174.3-71.2172000112.3L96 G97L96-L100 HydrophobicContact CD2-CD1 4.49Å; L96-L100 VanDerWaalsContact O-CG 3.3Å; L96-L100 WeakPolarHBondContact O-CG 3.36Å; L96-L100 PolarHBondContact O-N 2.98Å; G97-L100 PolarHBondContact O-N 3.34Å
101Y85.4Confident84.2Confident0 Ų067.3 Ų67.30%032%0.323CS..Hα-helixtrans-65.3-46.8173.8-174.1-88.6000111.4W26 L31 V42 L46 G97 I98 F99 I103 K104 I105W26-Y101 HydrophobicContact CE3-CD1 4.35Å; W26-Y101 AromaticContact CE3-CE1 3.72Å; W26-Y101 HydrophobicContact CE3-CE1 3.72Å; W26-Y101 HydrophobicContact CE3-CE2 4.17Å; W26-Y101 AromaticContact CE3-CZ 3.62Å; W26-Y101 HydrophobicContact CZ3-CD1 4.27Å; W26-Y101 HydrophobicContact CZ3-CE1 4.09Å; L31-Y101 HydrophobicContact CD1-CE2 4.39Å; V42-Y101 HydrophobicContact CG1-CD2 4.39Å; L46-Y101 HydrophobicContact CD2-CD2 3.52Å; L46-Y101 HydrophobicContact CD2-CE2 4.11Å; L46-Y101 HydrophobicContact CD2-CG 3.92Å; G97-Y101 PolarHBondContact O-N 3.26Å; G97-Y101 VanDerWaalsContact O-N 3.11Å; I98-Y101 WeakPolarHBondContact O-CB 3.46Å; I98-Y101 PolarHBondContact O-N 3.5Å; F99-Y101 VanDerWaalsContact C-N 3.3Å; F99-Y101 PolarHBondContact O-N 3.34Å; Y101-I103 PolarHBondContact O-N 2.96Å; Y101-K104 PolarHBondContact O-N 2.91Å; Y101-I105 HydrophobicContact CD1-CB 4.3Å; Y101-I105 HydrophobicContact CD2-CD1 3.82Å; Y101-I105 HydrophobicContact CE1-CB 3.81Å; Y101-I105 HydrophobicContact CE1-CD1 4.24Å; Y101-I105 HydrophobicContact CE1-CG2 3.78Å; Y101-I105 HydrophobicContact CE2-CB 4.39Å; Y101-I105 HydrophobicContact CE2-CD1 3.23Å; Y101-I105 HydrophobicContact CE2-CG1 4.37Å; Y101-I105 VanDerWaalsContact CZ-CD1 3.46Å; Y101-I105 PolarHBondContact O-N 3.46Å; Y101-I105 WeakPolarHBondContact OH-CG2 3.42Å
102A85.8Confident83.9Confident37 Ų3771.8 Ų71.831%0.30635%0.346SS..Hα-helixtrans-60-29.5-178.400000114.3I98 F99 K104I98-A102 VanDerWaalsContact O-CB 3.31Å; I98-A102 WeakPolarHBondContact O-CB 3.42Å; I98-A102 PolarHBondContact O-N 3.47Å; F99-A102 WeakPolarHBondContact O-CB 3.5Å; F99-A102 PolarHBondContact O-N 2.93Å; A102-K104 VanDerWaalsContact C-N 3.3Å
103I85.2Confident83.3Confident116 Ų11669.2 Ų69.260%0.59533%0.333SS*.Hα-helixtrans-72.9-27.8178.9-71.1164.6000111.3F99 Y101F99-I103 HydrophobicContact CD1-CD1 3.74Å; F99-I103 HydrophobicContact CE1-CD1 3.42Å; F99-I103 VanDerWaalsContact CE1-CD1 3.42Å; F99-I103 HydrophobicContact CE1-CG1 4.38Å; F99-I103 HydrophobicContact CG-CD1 4.49Å; F99-I103 HydrophobicContact CZ-CD1 3.92Å; F99-I103 HydrophobicContact CZ-CG1 4.49Å; F99-I103 WeakPolarHBondContact O-CG1 3.23Å; F99-I103 PolarHBondContact O-N 3.37Å; F99-I103 VanDerWaalsContact O-N 3.14Å; Y101-I103 PolarHBondContact O-N 2.96Å
104K83.7Confident82.8Confident129 Ų12968.2 Ų68.256%0.56132%0.322SS*.Hα-helixtrans-108-28.3-171.3-99.6-179.7179.9172.20114.7V42 Y101 A102V42-K104 HydrophobicContact CB-CD 4.42Å; V42-K104 HydrophobicContact CG1-CD 4.45Å; V42-K104 HydrophobicContact CG2-CD 3.26Å; V42-K104 VanDerWaalsContact CG2-NZ 3.33Å; Y101-K104 PolarHBondContact O-N 2.91Å; A102-K104 VanDerWaalsContact C-N 3.3Å
105I78.3Confident82.6Confident12 Ų1270.9 Ų70.96%0.06234%0.339CS..SBendtrans-122.1136.8-178.3-65.5160.9000107Y39 Y101Y39-I105 HydrophobicContact CD2-CD1 3.67Å; Y39-I105 HydrophobicContact CD2-CG1 3.96Å; Y39-I105 HydrophobicContact CE2-CD1 4.2Å; Y39-I105 HydrophobicContact CE2-CG1 3.98Å; Y39-I105 HydrophobicContact CG-CD1 3.86Å; Y39-I105 HydrophobicContact CG-CG1 4.23Å; Y101-I105 HydrophobicContact CD1-CB 4.3Å; Y101-I105 HydrophobicContact CD2-CD1 3.82Å; Y101-I105 HydrophobicContact CE1-CB 3.81Å; Y101-I105 HydrophobicContact CE1-CD1 4.24Å; Y101-I105 HydrophobicContact CE1-CG2 3.78Å; Y101-I105 HydrophobicContact CE2-CB 4.39Å; Y101-I105 HydrophobicContact CE2-CD1 3.23Å; Y101-I105 HydrophobicContact CE2-CG1 4.37Å; Y101-I105 VanDerWaalsContact CZ-CD1 3.46Å; Y101-I105 PolarHBondContact O-N 3.46Å; Y101-I105 WeakPolarHBondContact OH-CG2 3.42Å
106D74.4Confident82.4Confident144 Ų14469.1 Ų69.177%0.7733%0.333SS*.  trans-58.8159.1178.5-79.5-49.6000111.8D108D106-D108 PolarHBondContact O-N 3.4Å; D106-D108 VanDerWaalsContact O-OD2 3.06Å
107R66Low81.8Confident222 Ų22264.6 Ų64.684%0.83831%0.31SS*.  trans-69.5129.5-174.3-82.8-177.5174.3172.5-0.6111.9
108D79.3Confident81.7Confident49 Ų4965.1 Ų65.126%0.26231%0.312SS..  trans-128.2170.9173.5-70-77.7000114.7R25 G27 D106 S110 Q111 L112R25-D108 WeakPolarHBondContact O-CB 3.47Å; G27-D108 WeakPolarHBondContact CA-OD2 3.19Å; G27-D108 VanDerWaalsContact N-CG 3.3Å; G27-D108 PolarHBondContact N-OD2 2.86Å; D106-D108 PolarHBondContact O-N 3.4Å; D106-D108 VanDerWaalsContact O-OD2 3.06Å; D108-S110 PolarHBondContact O-N 3.4Å; D108-Q111 WeakPolarHBondContact O-CB 3.44Å; D108-Q111 PolarHBondContact O-N 2.88Å; D108-L112 PolarHBondContact O-N 2.88Å; D108-L112 VanDerWaalsContact O-N 3.08Å
109Y77.9Confident81.7Confident167 Ų16768.4 Ų68.466%0.65533%0.332SS*.Hα-helixtrans-55.7-44.6180-73.4-84.2000112.9Q111 L112 I113Y109-Q111 VanDerWaalsContact C-N 3.3Å; Y109-Q111 PolarHBondContact O-N 3.42Å; Y109-L112 PolarHBondContact O-N 3.4Å; Y109-I113 WeakPolarHBondContact O-CG1 3.49Å; Y109-I113 PolarHBondContact O-N 2.92Å
110S79Confident81.5Confident0 Ų064.7 Ų64.70%032%0.317CS..Hα-helixtrans-63-38.6179.2-64.10000112.2V23 R25 D108 L112 I113 C114V23-S110 WeakPolarHBondContact CG1-OG 3.39Å; V23-S110 PolarHBondContact O-OG 3.2Å; R25-S110 PolarHBondContact O-N 2.94Å; R25-S110 PolarHBondContact O-OG 3.11Å; D108-S110 PolarHBondContact O-N 3.4Å; S110-L112 VanDerWaalsContact C-N 3.34Å; S110-L112 PolarHBondContact O-N 3.39Å; S110-I113 PolarHBondContact O-N 2.95Å; S110-C114 PolarHBondContact O-N 3.38Å; S110-C114 VanDerWaalsContact O-N 3.07Å
111Q79.2Confident81.2Confident11 Ų1161.1 Ų61.15%0.05130%0.299CS..Hα-helixtrans-63.1-42.7175.6-169.3-172.1-2000111I98 D108 Y109 C114 V115I98-Q111 HydrophobicContact CG2-CG 3.8Å; D108-Q111 WeakPolarHBondContact O-CB 3.44Å; D108-Q111 PolarHBondContact O-N 2.88Å; Y109-Q111 VanDerWaalsContact C-N 3.3Å; Y109-Q111 PolarHBondContact O-N 3.42Å; Q111-C114 PolarHBondContact O-N 3.25Å; Q111-V115 VanDerWaalsContact O-CG2 3.29Å; Q111-V115 WeakPolarHBondContact O-CG2 3.29Å; Q111-V115 PolarHBondContact O-N 2.7Å
112L82.4Confident81.2Confident107 Ų10763.6 Ų63.656%0.5632%0.316SS*.Hα-helixtrans-64.4-41.6178.8-167.9140.3000112D108 Y109 S110 C114 V115 I116D108-L112 PolarHBondContact O-N 2.88Å; D108-L112 VanDerWaalsContact O-N 3.08Å; Y109-L112 PolarHBondContact O-N 3.4Å; S110-L112 VanDerWaalsContact C-N 3.34Å; S110-L112 PolarHBondContact O-N 3.39Å; L112-C114 PolarHBondContact O-N 3.42Å; L112-V115 PolarHBondContact O-N 2.9Å; L112-I116 HydrophobicContact CD2-CD1 3.58Å; L112-I116 HydrophobicContact CD2-CG1 4.36Å; L112-I116 WeakPolarHBondContact O-CG1 3.5Å; L112-I116 PolarHBondContact O-N 2.93Å
113I79.1Confident81.2Confident43 Ų4366.8 Ų66.822%0.22132%0.324CS..Hα-helixtrans-59.8-46.8175.2-68.1168.7000110.8F16 L19 V23 Y109 S110 V115 I116 G117F16-I113 HydrophobicContact CD1-CG2 4.17Å; F16-I113 WeakPolarHBondContact O-CG2 3.07Å; L19-I113 HydrophobicContact CB-CG2 4.4Å; V23-I113 HydrophobicContact CG2-CD1 4.34Å; Y109-I113 WeakPolarHBondContact O-CG1 3.49Å; Y109-I113 PolarHBondContact O-N 2.92Å; S110-I113 PolarHBondContact O-N 2.95Å; I113-V115 PolarHBondContact O-N 2.59Å; I113-I116 PolarHBondContact O-N 3.2Å; I113-G117 PolarHBondContact O-N 3.35Å
114C80.7Confident81Confident0 Ų061.4 Ų61.40%030%0.296CS..Hα-helixtrans-64.7-39.5177.2-74.80000112.4G20 I98 S110 Q111 L112 I116 G117 I118G20-C114 VanDerWaalsContact CA-SG 3.54Å; I98-C114 HydrophobicContact CD1-CB 3.28Å; I98-C114 HydrophobicContact CG1-CB 4.45Å; S110-C114 PolarHBondContact O-N 3.38Å; S110-C114 VanDerWaalsContact O-N 3.07Å; Q111-C114 PolarHBondContact O-N 3.25Å; L112-C114 PolarHBondContact O-N 3.42Å; C114-I116 VanDerWaalsContact C-N 3.33Å; C114-I116 PolarHBondContact O-N 3.18Å; C114-G117 PolarHBondContact O-N 3.09Å; C114-I118 WeakPolarHBondContact O-CG1 3.3Å; C114-I118 PolarHBondContact O-N 3.26Å
115V86.9Confident80.8Confident58 Ų5855.6 Ų55.635%0.35227%0.272SS..Hα-helixtrans-60.8-42.5175.4170.10000111.1I98 Q111 L112 I113 G117 I118 V119I98-V115 HydrophobicContact CG2-CG2 4.03Å; Q111-V115 VanDerWaalsContact O-CG2 3.29Å; Q111-V115 WeakPolarHBondContact O-CG2 3.29Å; Q111-V115 PolarHBondContact O-N 2.7Å; L112-V115 PolarHBondContact O-N 2.9Å; I113-V115 PolarHBondContact O-N 2.59Å; V115-G117 VanDerWaalsContact C-N 3.32Å; V115-G117 PolarHBondContact O-N 3.42Å; V115-I118 PolarHBondContact O-N 3.49Å; V115-V119 HydrophobicContact CG1-CG2 4.46Å; V115-V119 WeakPolarHBondContact O-CG2 3.46Å; V115-V119 PolarHBondContact O-N 3.39Å
116I86.1Confident81Confident72 Ų7258.8 Ų58.837%0.36929%0.289SS..Hα-helixtrans-58.5-47174.4-68.2166.9000110.3F16 L112 I113 C114 I118 V119 I120F16-I116 HydrophobicContact CD1-CG2 4.46Å; L112-I116 HydrophobicContact CD2-CD1 3.58Å; L112-I116 HydrophobicContact CD2-CG1 4.36Å; L112-I116 WeakPolarHBondContact O-CG1 3.5Å; L112-I116 PolarHBondContact O-N 2.93Å; I113-I116 PolarHBondContact O-N 3.2Å; C114-I116 VanDerWaalsContact C-N 3.33Å; C114-I116 PolarHBondContact O-N 3.18Å; I116-I118 VanDerWaalsContact C-N 3.33Å; I116-I118 PolarHBondContact O-N 3.38Å; I116-V119 PolarHBondContact O-N 3.06Å; I116-I120 HydrophobicContact CG2-CD1 3.97Å; I116-I120 WeakPolarHBondContact O-CG1 3.22Å; I116-I120 PolarHBondContact O-N 3.22Å
117G77.5Confident81.3Confident0 Ų054.5 Ų54.50%027%0.266CS..Hα-helixtrans-58.4-41.9176.600000113.2I113 C114 V115 I120 A121I113-G117 PolarHBondContact O-N 3.35Å; C114-G117 PolarHBondContact O-N 3.09Å; V115-G117 VanDerWaalsContact C-N 3.32Å; V115-G117 PolarHBondContact O-N 3.42Å; G117-I120 PolarHBondContact O-N 3.42Å; G117-A121 WeakPolarHBondContact O-CB 3.44Å; G117-A121 PolarHBondContact O-N 2.91Å
118I84.9Confident81.7Confident10 Ų1044.5 Ų44.55%0.05123%0.229CC..Hα-helixtrans-63.1-45175-69.2175.7000111.5V91 I94 F95 I98 C114 V115 I116 I120 A121 C122V91-I118 HydrophobicContact CG1-CG2 4.01Å; I94-I118 HydrophobicContact CB-CD1 4.27Å; I94-I118 HydrophobicContact CB-CG1 4.41Å; I94-I118 HydrophobicContact CG2-CD1 3.58Å; I94-I118 HydrophobicContact CG2-CG1 3.71Å; F95-I118 HydrophobicContact CB-CD1 4.13Å; F95-I118 HydrophobicContact CB-CG2 4.33Å; F95-I118 HydrophobicContact CD2-CD1 4.36Å; F95-I118 HydrophobicContact CD2-CG2 4.17Å; I98-I118 HydrophobicContact CD1-CD1 3.42Å; I98-I118 VanDerWaalsContact CD1-CD1 3.42Å; I98-I118 HydrophobicContact CD1-CG1 4.41Å; I98-I118 HydrophobicContact CG1-CD1 4.33Å; C114-I118 WeakPolarHBondContact O-CG1 3.3Å; C114-I118 PolarHBondContact O-N 3.26Å; V115-I118 PolarHBondContact O-N 3.49Å; I116-I118 VanDerWaalsContact C-N 3.33Å; I116-I118 PolarHBondContact O-N 3.38Å; I118-I120 VanDerWaalsContact C-N 3.29Å; I118-I120 PolarHBondContact O-N 3.3Å; I118-A121 PolarHBondContact O-N 2.89Å; I118-C122 VanDerWaalsContact O-CB 3.25Å; I118-C122 WeakPolarHBondContact O-CB 3.03Å; I118-C122 PolarHBondContact O-N 2.87Å
119V88.9Confident81.5Confident74 Ų7445 Ų4545%0.44823%0.232SC..Hα-helixtrans-60.9-43.3-179.9171.50000110.1V115 I116 C122 Q123V115-V119 HydrophobicContact CG1-CG2 4.46Å; V115-V119 WeakPolarHBondContact O-CG2 3.46Å; V115-V119 PolarHBondContact O-N 3.39Å; I116-V119 PolarHBondContact O-N 3.06Å; V119-C122 PolarHBondContact O-N 2.91Å; V119-Q123 WeakPolarHBondContact O-CG 3.22Å; V119-Q123 PolarHBondContact O-N 2.78Å
120I83.5Confident81.2Confident31 Ų3143.6 Ų43.616%0.15923%0.229CC..Hα-helixtrans-61.5-48.8175.2-64168.3000110.3L9 I12 F16 I116 G117 I118 C122 Q123 V124L9-I120 HydrophobicContact CB-CG2 4.15Å; L9-I120 HydrophobicContact CD2-CG2 4.39Å; L9-I120 HydrophobicContact CG-CG2 4.2Å; L9-I120 WeakPolarHBondContact O-CG2 3.5Å; I12-I120 HydrophobicContact CG2-CD1 4.43Å; F16-I120 HydrophobicContact CD2-CD1 3.99Å; F16-I120 HydrophobicContact CE2-CD1 4.24Å; I116-I120 HydrophobicContact CG2-CD1 3.97Å; I116-I120 WeakPolarHBondContact O-CG1 3.22Å; I116-I120 PolarHBondContact O-N 3.22Å; G117-I120 PolarHBondContact O-N 3.42Å; I118-I120 VanDerWaalsContact C-N 3.29Å; I118-I120 PolarHBondContact O-N 3.3Å; I120-C122 VanDerWaalsContact C-N 3.29Å; I120-C122 PolarHBondContact O-N 3.01Å; I120-Q123 WeakPolarHBondContact O-CB 3.09Å; I120-Q123 PolarHBondContact O-N 3.47Å; I120-V124 WeakPolarHBondContact O-CG2 3.31Å; I120-V124 PolarHBondContact O-N 2.95Å
121A80.1Confident80.7Confident2 Ų246.1 Ų46.12%0.01724%0.242CC..Hα-helixtrans-61.8-36.4178.600000112.6V91 G117 I118 V124 A125V91-A121 HydrophobicContact CG2-CB 3.75Å; G117-A121 WeakPolarHBondContact O-CB 3.44Å; G117-A121 PolarHBondContact O-N 2.91Å; I118-A121 PolarHBondContact O-N 2.89Å; A121-V124 PolarHBondContact O-N 3.48Å; A121-A125 PolarHBondContact O-N 3.25Å
122C86.4Confident80.1Confident52 Ų5246.6 Ų46.635%0.35124%0.244SC..Hα-helixtrans-66.8-42.1175.7-170.10000111.6V91 I118 V119 I120 V124 A125 L126V91-C122 HydrophobicContact CG1-CB 4.09Å; I118-C122 VanDerWaalsContact O-CB 3.25Å; I118-C122 WeakPolarHBondContact O-CB 3.03Å; I118-C122 PolarHBondContact O-N 2.87Å; V119-C122 PolarHBondContact O-N 2.91Å; I120-C122 VanDerWaalsContact C-N 3.29Å; I120-C122 PolarHBondContact O-N 3.01Å; C122-V124 PolarHBondContact O-N 3.07Å; C122-A125 PolarHBondContact O-N 3.45Å; C122-L126 PolarHBondContact O-N 3.35Å
123Q86.1Confident78.9Confident104 Ų10445.3 Ų45.349%0.48624%0.242SC..Hα-helixtrans-59.4-38.8173.2-73.5176.52.500111.5V119 I120 L126 L127V119-Q123 WeakPolarHBondContact O-CG 3.22Å; V119-Q123 PolarHBondContact O-N 2.78Å; I120-Q123 WeakPolarHBondContact O-CB 3.09Å; I120-Q123 PolarHBondContact O-N 3.47Å; Q123-L126 PolarHBondContact O-N 2.93Å; Q123-L127 WeakPolarHBondContact O-CB 3.33Å; Q123-L127 PolarHBondContact O-N 3.11Å
124V80.9Confident77.8Confident2 Ų248.4 Ų48.41%0.01227%0.266CS..Hα-helixtrans-67-43.4175.7-178.40000112S6 L9 Q10 I120 A121 C122 L126 L127 N128S6-V124 WeakPolarHBondContact OG-CG1 2.69Å; L9-V124 HydrophobicContact CB-CG2 3.32Å; L9-V124 HydrophobicContact CD2-CG2 4.18Å; L9-V124 HydrophobicContact CG-CG2 4.4Å; Q10-V124 HydrophobicContact CB-CG1 4.23Å; I120-V124 WeakPolarHBondContact O-CG2 3.31Å; I120-V124 PolarHBondContact O-N 2.95Å; A121-V124 PolarHBondContact O-N 3.48Å; C122-V124 PolarHBondContact O-N 3.07Å; V124-L126 VanDerWaalsContact C-N 3.3Å; V124-L126 PolarHBondContact O-N 3.29Å; V124-L127 PolarHBondContact O-N 3.33Å; V124-N128 PolarHBondContact O-N 3.3Å; V124-N128 PolarHBondContact O-ND2 3.21Å
125A79.9Confident76.4Confident7 Ų755.4 Ų55.46%0.05830%0.297CS..Hα-helixtrans-59.2-42.8175.300000111.4L84 A121 C122 N128 L129L84-A125 WeakPolarHBondContact CD1-O 3.48Å; A121-A125 PolarHBondContact O-N 3.25Å; C122-A125 PolarHBondContact O-N 3.45Å; A125-N128 PolarHBondContact O-N 3.29Å; A125-L129 WeakPolarHBondContact O-CB 3.26Å; A125-L129 PolarHBondContact O-N 3.49Å
126L82.4Confident74.6Confident80 Ų8060.1 Ų60.142%0.41931%0.309SS..Hα-helixtrans-63.4-43.6174-77.5165.5000112.2C122 Q123 V124 N128 L129 F130C122-L126 PolarHBondContact O-N 3.35Å; Q123-L126 PolarHBondContact O-N 2.93Å; V124-L126 VanDerWaalsContact C-N 3.3Å; V124-L126 PolarHBondContact O-N 3.29Å; L126-N128 VanDerWaalsContact C-N 3.29Å; L126-N128 PolarHBondContact O-N 3.14Å; L126-L129 HydrophobicContact CD2-CD2 4.44Å; L126-L129 WeakPolarHBondContact O-CB 3.45Å; L126-L129 PolarHBondContact O-N 3.27Å; L126-L129 VanDerWaalsContact O-N 3.11Å; L126-F130 HydrophobicContact CB-CE2 4.42Å; L126-F130 HydrophobicContact CD2-CE2 4.34Å; L126-F130 WeakPolarHBondContact O-CD2 3.21Å; L126-F130 PolarHBondContact O-N 2.71Å
127L80.9Confident72.8Confident53 Ų5364.7 Ų64.728%0.27733%0.329SS..Hα-helixtrans-59.6-43.6177.7-151.798.9000111S2 L5 Q123 V124 L129 F130 L131S2-L127 VanDerWaalsContact O-CD2 3.23Å; S2-L127 WeakPolarHBondContact O-CD2 3.33Å; L5-L127 HydrophobicContact CB-CD2 4.47Å; L5-L127 HydrophobicContact CD2-CD1 4.3Å; L5-L127 HydrophobicContact CD2-CD2 4.36Å; Q123-L127 WeakPolarHBondContact O-CB 3.33Å; Q123-L127 PolarHBondContact O-N 3.11Å; V124-L127 PolarHBondContact O-N 3.33Å; L127-L129 VanDerWaalsContact C-N 3.34Å; L127-F130 PolarHBondContact O-N 3.22Å; L127-L131 HydrophobicContact CD2-CD1 4.01Å; L127-L131 HydrophobicContact CG-CD1 4.21Å; L127-L131 WeakPolarHBondContact O-CB 3.12Å; L127-L131 VanDerWaalsContact O-CD1 3.22Å; L127-L131 WeakPolarHBondContact O-CD1 3.31Å; L127-L131 VanDerWaalsContact O-CG 3.31Å; L127-L131 WeakPolarHBondContact O-CG 2.99Å; L127-L131 PolarHBondContact O-N 2.77Å; L127-L131 VanDerWaalsContact O-N 3.07Å
128N74.3Confident71.3Confident12 Ų1273.1 Ų73.16%0.06437%0.366CS..Hα-helixtrans-64.8-35.8175.3-81.2-43.6000112.6S6 K83 L84 V124 A125 L126 L131 Y132S6-N128 PolarHBondContact OG-ND2 3Å; S6-N128 VanDerWaalsContact OG-ND2 3.14Å; S6-N128 PolarHBondContact OG-OD1 3.5Å; K83-N128 PolarHBondContact NZ-OD1 3.29Å; L84-N128 HydrophobicContact CD1-CB 4.03Å; V124-N128 PolarHBondContact O-N 3.3Å; V124-N128 PolarHBondContact O-ND2 3.21Å; A125-N128 PolarHBondContact O-N 3.29Å; L126-N128 VanDerWaalsContact C-N 3.29Å; L126-N128 PolarHBondContact O-N 3.14Å; N128-L131 PolarHBondContact O-N 3.07Å; N128-Y132 PolarHBondContact O-N 3.21Å
129L75.1Confident69.4Low61 Ų6183.3 Ų83.332%0.31940%0.404SS..Hα-helixtrans-64.2-44173.4-17382.3000111.6L84 A125 L126 L127 L131 Y132L84-L129 HydrophobicContact CD1-CB 4.12Å; L84-L129 HydrophobicContact CD1-CD1 4.42Å; L84-L129 HydrophobicContact CD2-CD1 3.58Å; A125-L129 WeakPolarHBondContact O-CB 3.26Å; A125-L129 PolarHBondContact O-N 3.49Å; L126-L129 HydrophobicContact CD2-CD2 4.44Å; L126-L129 WeakPolarHBondContact O-CB 3.45Å; L126-L129 PolarHBondContact O-N 3.27Å; L126-L129 VanDerWaalsContact O-N 3.11Å; L127-L129 VanDerWaalsContact C-N 3.34Å; L129-L131 VanDerWaalsContact C-N 3.3Å; L129-L131 PolarHBondContact O-N 3.17Å; L129-Y132 VanDerWaalsContact O-CB 3.26Å; L129-Y132 WeakPolarHBondContact O-CB 3.49Å; L129-Y132 PolarHBondContact O-N 2.91Å
130F71.5Confident67.3Low136 Ų13683.8 Ų83.860%0.59642%0.415SS*.Hα-helixtrans-72.4-24.6179.5-73.7-64.3000113.4L126 L127 Y132L126-F130 HydrophobicContact CB-CE2 4.42Å; L126-F130 HydrophobicContact CD2-CE2 4.34Å; L126-F130 WeakPolarHBondContact O-CD2 3.21Å; L126-F130 PolarHBondContact O-N 2.71Å; L127-F130 PolarHBondContact O-N 3.22Å; F130-Y132 PolarHBondContact O-N 2.84Å
131L67.7Low65.6Low53 Ų5391.5 Ų91.528%0.27745%0.448SS..THydrogen-bonded Turntrans-79.9-2.9175.8-75.5156.2000113.5S2 L127 N128 L129S2-L131 WeakPolarHBondContact OG-CD1 3.19Å; S2-L131 WeakPolarHBondContact OG-CD2 3.44Å; L127-L131 HydrophobicContact CD2-CD1 4.01Å; L127-L131 HydrophobicContact CG-CD1 4.21Å; L127-L131 WeakPolarHBondContact O-CB 3.12Å; L127-L131 VanDerWaalsContact O-CD1 3.22Å; L127-L131 WeakPolarHBondContact O-CD1 3.31Å; L127-L131 VanDerWaalsContact O-CG 3.31Å; L127-L131 WeakPolarHBondContact O-CG 2.99Å; L127-L131 PolarHBondContact O-N 2.77Å; L127-L131 VanDerWaalsContact O-N 3.07Å; N128-L131 PolarHBondContact O-N 3.07Å; L129-L131 VanDerWaalsContact C-N 3.3Å; L129-L131 PolarHBondContact O-N 3.17Å
132Y66.2Low64.4Low22 Ų2297.2 Ų97.29%0.08648%0.482CS..SBendtrans-63.9132.3179.3-131.8-90.9000110.6P77 T80 T81 L84 N128 L129 F130 C134 F135 Y136P77-Y132 PolarHBondContact O-OH 2.94Å; T80-Y132 VanDerWaalsContact C-OH 3.27Å; T80-Y132 HydrophobicContact CG2-CD2 3.88Å; T80-Y132 HydrophobicContact CG2-CE2 3.42Å; T80-Y132 VanDerWaalsContact CG2-CE2 3.42Å; T81-Y132 WeakPolarHBondContact CA-OH 3.27Å; T81-Y132 WeakPolarHBondContact CB-OH 3.23Å; T81-Y132 WeakPolarHBondContact CG2-OH 3.16Å; T81-Y132 PolarHBondContact N-OH 3.05Å; T81-Y132 PolarHBondContact OG1-OH 3.43Å; L84-Y132 HydrophobicContact CD2-CD2 4.4Å; L84-Y132 HydrophobicContact CD2-CE2 4.34Å; N128-Y132 PolarHBondContact O-N 3.21Å; L129-Y132 VanDerWaalsContact O-CB 3.26Å; L129-Y132 WeakPolarHBondContact O-CB 3.49Å; L129-Y132 PolarHBondContact O-N 2.91Å; F130-Y132 PolarHBondContact O-N 2.84Å; Y132-C134 HydrophobicContact CD1-CB 4.44Å; Y132-C134 PolarHBondContact O-N 3.3Å; Y132-F135 PolarHBondContact O-N 3.09Å; Y132-Y136 PolarHBondContact O-N 3.21Å
133P57.4Low63.1Low80 Ų80100.8 Ų100.852%0.51950%0.502SS..THydrogen-bonded Turntrans-60.4-21.6-176.420.5-31.5000113.7F135 Y136P133-F135 VanDerWaalsContact C-N 3.28Å; P133-F135 PolarHBondContact O-N 2.83Å; P133-Y136 CarbonylContact O-C 3.25Å; P133-Y136 VanDerWaalsContact O-C 3.25Å; P133-Y136 PolarHBondContact O-N 2.7Å
134C56.6Low61.9Low107 Ų107100.9 Ų100.972%0.72351%0.509SS*.THydrogen-bonded Turntrans-65.6-27.8173.2-69.30000113.7Y132Y132-C134 HydrophobicContact CD1-CB 4.44Å; Y132-C134 PolarHBondContact O-N 3.3Å
135F50.6Low60.8Low148 Ų148104.7 Ų104.765%0.64954%0.541SS*.THydrogen-bonded Turntrans-91.8-27.8173.7-72.1-77000112Y132 P133 E137Y132-F135 PolarHBondContact O-N 3.09Å; P133-F135 VanDerWaalsContact C-N 3.28Å; P133-F135 PolarHBondContact O-N 2.83Å; F135-E137 PolarHBondContact O-N 3.1Å; F135-E137 VanDerWaalsContact O-N 3.1Å
136Y49.4Very low59.8Low157 Ų157110.4 Ų110.462%0.61658%0.575SS**  trans-85.363.5170.6-118.4-83.1000109.9Y132 P133 K138Y132-Y136 PolarHBondContact O-N 3.21Å; P133-Y136 CarbonylContact O-C 3.25Å; P133-Y136 VanDerWaalsContact O-C 3.25Å; P133-Y136 PolarHBondContact O-N 2.7Å; Y136-K138 PolarHBondContact O-N 3.42Å
137E47.8Very low58.8Low168 Ų168113 Ų11379%0.78560%0.595SS**  trans-63.883163.1-166.9169.6172.100107.4F135 R139F135-E137 PolarHBondContact O-N 3.1Å; F135-E137 VanDerWaalsContact O-N 3.1Å; E137-R139 PolarHBondContact O-N 3.36Å
138K47Very low57.6Low177 Ų177123.7 Ų123.777%0.7764%0.639SS**  trans-58.1100.2156.1-86.7-170.5177.7-179.20103.5Y136 A140Y136-K138 PolarHBondContact O-N 3.42Å; K138-A140 PolarHBondContact O-N 2.84Å
139R44.7Very low56.8Low224 Ų224129.3 Ų129.385%0.84567%0.668SS**  trans-32.5112.5167-70.2-168.1-163.4-172.14.9106.2E137 K141E137-R139 PolarHBondContact O-N 3.36Å; R139-K141 PolarHBondContact O-N 2.88Å
140A45.8Very low55.8Low84 Ų84132.9 Ų132.969%0.69469%0.686SS**  trans-49.1114.317100000104.7K138 V142K138-A140 PolarHBondContact O-N 2.84Å; A140-V142 PolarHBondContact O-N 2.82Å
141K47.3Very low55Low192 Ų192132.7 Ų132.784%0.83569%0.691SS**  trans-62.498.6168-79.6-174.4175.9-176.80103R139 V143R139-K141 PolarHBondContact O-N 2.88Å; K141-V143 PolarHBondContact O-N 2.77Å
142V55.3Low54.2Low122 Ų122137.4 Ų137.474%0.73972%0.716SS**  trans-60.297.3168.1179.20000104A140 V144A140-V142 PolarHBondContact O-N 2.82Å; V142-V144 HydrophobicContact CG1-CG2 3.96Å; V142-V144 PolarHBondContact O-N 2.95Å
143V58.3Low53.5Low128 Ų128144.6 Ų144.678%0.77676%0.755SS**  trans-71.992.6170.3-177.10000104K141 A145K141-V143 PolarHBondContact O-N 2.77Å; V143-A145 VanDerWaalsContact C-N 3.29Å; V143-A145 PolarHBondContact O-N 2.99Å
144V60Low53.2Low105 Ų105148.9 Ų148.964%0.63677%0.771SS**  trans-66.897.2170.4-175.10000105.7V142 T146V142-V144 HydrophobicContact CG1-CG2 3.96Å; V142-V144 PolarHBondContact O-N 2.95Å; V144-T146 PolarHBondContact O-N 2.93Å
145A58.9Low53Low82 Ų82151.9 Ų151.968%0.67877%0.774SS**  trans-65.5100.7167.700000106.9V143 T147V143-A145 VanDerWaalsContact C-N 3.29Å; V143-A145 PolarHBondContact O-N 2.99Å; A145-T147 PolarHBondContact O-N 3.32Å; A145-T147 VanDerWaalsContact O-N 3.17Å
146T59.7Low53.1Low127 Ų127152.2 Ų152.278%0.77978%0.784SS**  trans-74.699.3167.831.60000107.1V144 K148V144-T146 PolarHBondContact O-N 2.93Å; T146-K148 PolarHBondContact O-N 3.17Å
147T61.4Low53.5Low136 Ų136151.8 Ų151.883%0.83480%0.798SS**  trans-70.9113.7164.643.50000107.9A145A145-T147 PolarHBondContact O-N 3.32Å; A145-T147 VanDerWaalsContact O-N 3.17Å
148K55.4Low54Low277 Ų277150.4 Ų150.4100%1.20480%0.799SS**  trans-63.20168.6-96.8-176.7174179.60111.5T146T146-K148 PolarHBondContact O-N 3.17Å

Retrieved 148 of 148 residues in 35.9 ms (Link to these results)

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