G4VSI1_SCHMA Loading...

Actin-related protein 2/3 complex subunit 3

Functions as component of the Arp2/3 complex which is involved in regulation of actin polymerization and together with an activating nucleation-promoting factor (NPF) mediates the formation of branched actin networks.

AlphaFold DB , UniProt , Accession G4VSI1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 181 aa.

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

 

Download Structure   PDB   PAE   Table  
Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M56.6Low87.4Confident223 Ų22395 Ų95100%1.09949%0.488SS*.  0125.90-160.6175.9-144.300106.4V3M1-V3 PolarHBondContact O-N 2.99Å
2F76.3Confident87.3Confident205 Ų20593.9 Ų93.990%0.89949%0.492SS*.PPolyproline II helixtrans-67.8126177-75.6-81.3000108.9
3V86.4Confident87.8Confident51 Ų5194.7 Ų94.731%0.30950%0.497SS..PPolyproline II helixtrans-95.3130.4176.2175.70000107.7M1 H5 L52 L55 Y58M1-V3 PolarHBondContact O-N 2.99Å; V3-H5 PolarHBondContact O-CD2 3.47Å; V3-H5 VanDerWaalsContact O-CD2 3.23Å; V3-L52 HydrophobicContact CG1-CD2 4.43Å; V3-L55 HydrophobicContact CG1-CD1 3.73Å; V3-L55 HydrophobicContact CG2-CD1 4.07Å; V3-L55 HydrophobicContact CG2-CD2 4.32Å; V3-Y58 HydrophobicContact CG1-CD2 3.6Å; V3-Y58 HydrophobicContact CG1-CE2 3.33Å
4H92.4Very high88.4Confident103 Ų10393.2 Ų93.248%0.47749%0.494SS..PPolyproline II helixtrans-79.3130.9177.9-67.1-80.8000110.4L48 Y58H4-L48 HydrophobicContact CB-CD1 3.86Å; H4-L48 HydrophobicContact CB-CD2 3.63Å; H4-L48 HydrophobicContact CB-CG 4.36Å; H4-Y58 WeakPolarHBondContact O-CE2 3.5Å; H4-Y58 PolarHBondContact O-OH 3.45Å
5H95.2Very high88.9Confident40 Ų4087.6 Ų87.619%0.18546%0.464CS..  trans-109.8163173.7-63.3-87.6000109.5V3 E7 Y58 E59 K61 D65V3-H5 PolarHBondContact O-CD2 3.47Å; V3-H5 VanDerWaalsContact O-CD2 3.23Å; H5-E7 PolarHBondContact O-N 3.47Å; H5-Y58 WeakPolarHBondContact CA-OH 3.44Å; H5-Y58 AromaticContact ND1-CZ 3.86Å; H5-E59 PolarHBondContact CE1-O 3.34Å; H5-E59 PolarHBondContact ND1-O 2.74Å; H5-K61 PolarHBondContact CD2-NZ 3.18Å; H5-K61 VanDerWaalsContact NE2-CE 3.35Å; H5-K61 WeakPolarHBondContact NE2-CE 3.49Å; H5-K61 PolarHBondContact NE2-NZ 2.74Å; H5-D65 WeakPolarHBondContact CB-OD1 3.41Å; H5-D65 IonicContact CE1-OD2 2.74Å; H5-D65 IonicContact CG-OD2 3.8Å; H5-D65 IonicContact ND1-OD1 2.83Å; H5-D65 IonicContact ND1-OD2 3.87Å; H5-D65 PolarHBondContact ND1-OD2 2.87Å
6S96.1Very high89.3Confident7 Ų783.1 Ų83.15%0.04945%0.445CS..  trans-65133.9-179.5-173.70000111.7F8 I41 E44 D65S6-F8 VanDerWaalsContact C-N 3.3Å; S6-F8 PolarHBondContact OG-N 3.3Å; S6-I41 WeakPolarHBondContact OG-CD1 3.39Å; S6-E44 WeakPolarHBondContact CA-OE2 3.05Å; S6-E44 WeakPolarHBondContact CB-OE2 3.49Å; S6-E44 PolarHBondContact OG-OE2 3.09Å; S6-D65 PolarHBondContact N-OD1 2.9Å
7E95.8Very high89.7Confident135 Ų13580.2 Ų80.263%0.63143%0.43SS*.SBendtrans-81.3-11.1175.6-63173.7156.200112.2H5 V9 K39 E44H5-E7 PolarHBondContact O-N 3.47Å; E7-V9 PolarHBondContact O-N 2.81Å; E7-K39 IonicContact OE2-NZ 3.56Å; E7-K39 PolarHBondContact OE2-NZ 3.02Å; E7-E44 WeakPolarHBondContact CB-OE1 3.43Å; E7-E44 WeakPolarHBondContact CG-OE1 3.35Å; E7-E44 PolarHBondContact N-OE1 3.37Å
8F95.1Very high90.1Very high53 Ų5375.9 Ų75.923%0.23241%0.407CS..  trans-81.853.3-178-63-76.7000112.6S6 L21 K39 D40 I41 E44S6-F8 VanDerWaalsContact C-N 3.3Å; S6-F8 PolarHBondContact OG-N 3.3Å; F8-L21 HydrophobicContact CB-CD1 3.86Å; F8-L21 HydrophobicContact CB-CD2 4.04Å; F8-L21 HydrophobicContact CG-CD1 4.48Å; F8-K39 HydrophobicContact CZ-CD 4.35Å; F8-K39 HydrophobicContact CZ-CG 4.1Å; F8-D40 VanDerWaalsContact CE2-O 3.32Å; F8-D40 WeakPolarHBondContact CE2-O 3.22Å; F8-D40 WeakPolarHBondContact CZ-O 3.4Å; F8-I41 HydrophobicContact CD2-CB 4.07Å; F8-I41 HydrophobicContact CD2-CD1 3.73Å; F8-I41 HydrophobicContact CE2-CB 4.31Å; F8-I41 HydrophobicContact CE2-CD1 4.4Å; F8-I41 VanDerWaalsContact CE2-N 3.34Å; F8-E44 WeakPolarHBondContact CD2-OE2 3.24Å; F8-E44 HydrophobicContact CE2-CB 3.78Å; F8-E44 HydrophobicContact CE2-CG 4.48Å
9V92.8Very high90.5Very high78 Ų7871.9 Ų71.947%0.47339%0.385SS..  trans-120.6146.3178.6-64.80000111.1E7 A64E7-V9 PolarHBondContact O-N 2.81Å; V9-A64 HydrophobicContact CG1-CB 4.01Å
10P88.5Confident90.9Very high126 Ų12669.5 Ų69.582%0.81837%0.372SS*.SBendcis-72.4153.1-8.532-34.9000112
11A86.7Confident91.2Very high24 Ų2466.4 Ų66.420%0.19836%0.356CS..  trans-72.7136.6175.200000110.7N13 A19 L21A11-N13 VanDerWaalsContact C-N 3.31Å; A11-N13 PolarHBondContact O-N 3.23Å; A11-A19 HydrophobicContact CB-CB 3.42Å; A11-A19 VanDerWaalsContact CB-CB 3.42Å; A11-L21 HydrophobicContact CB-CD2 4.3Å
12P86.3Confident93.1Very high82 Ų8258 Ų5853%0.53232%0.318SS..SBendtrans-69.6-31.1-179.427.4-33.6000112.4
13N93.4Very high94.1Very high104 Ų10448.3 Ų48.356%0.55628%0.275SS*.  trans-150.2165178.6-77.4-48.4000109.6A11 L20A11-N13 VanDerWaalsContact C-N 3.31Å; A11-N13 PolarHBondContact O-N 3.23Å; N13-L20 HydrophobicContact CB-CB 4.18Å; N13-L20 HydrophobicContact CB-CD2 4.36Å; N13-L20 PolarHBondContact O-N 3.02Å
14T95.7Very high94.7Very high74 Ų7449.2 Ų49.245%0.45427%0.273SS..EExtended strand (participates in β ladder)trans-133.1149.5177.659.30000111.5M18 E63T14-M18 CarbonylContact C-O 3.52Å; T14-M18 WeakPolarHBondContact CA-O 3.38Å; T14-M18 WeakPolarHBondContact CB-O 3.4Å; T14-E63 HydrophobicContact CG2-CB 4.21Å; T14-E63 HydrophobicContact CG2-CG 3.9Å
15I95.9Very high94.9Very high9 Ų944.5 Ų44.55%0.04625%0.251CS..EExtended strand (participates in β ladder)trans-123.2119.4168.4-57.1163.9000107.1N17 M18 L20 E127 T130 M131 Y134I15-N17 PolarHBondContact O-N 2.83Å; I15-M18 PolarHBondContact N-O 3.1Å; I15-M18 PolarHBondContact O-N 2.81Å; I15-L20 HydrophobicContact CD1-CB 4.14Å; I15-L20 HydrophobicContact CD1-CD1 3.6Å; I15-L20 HydrophobicContact CD1-CD2 3.93Å; I15-L20 HydrophobicContact CD1-CG 4.07Å; I15-L20 HydrophobicContact CG1-CB 4.18Å; I15-L20 HydrophobicContact CG1-CD2 4.19Å; I15-E127 HydrophobicContact CG2-CG 3.68Å; I15-T130 HydrophobicContact CD1-CG2 3.52Å; I15-T130 HydrophobicContact CG1-CG2 4.14Å; I15-M131 HydrophobicContact CG2-CB 3.68Å; I15-M131 HydrophobicContact CG2-CE 3.99Å; I15-M131 HydrophobicContact CG2-CG 4.29Å; I15-Y134 HydrophobicContact CD1-CD1 4.24Å; I15-Y134 HydrophobicContact CD1-CG 4.3Å
16G94.9Very high95Very high16 Ų1651.2 Ų51.217%0.16528%0.28CS..THydrogen-bonded Turntrans61.1-115.4-163.600000109.5E127G16-E127 WeakPolarHBondContact CA-OE1 3.41Å; G16-E127 PolarHBondContact N-OE1 3.49Å
17N96.7Very high95.1Very high34 Ų3454 Ų5418%0.18229%0.292CS..THydrogen-bonded Turntrans-117.517.5170.467.9-12.2000112.6I15 E63 R66 M118 Y119 A120I15-N17 PolarHBondContact O-N 2.83Å; N17-E63 WeakPolarHBondContact O-CB 3.29Å; N17-E63 WeakPolarHBondContact O-CG 3.45Å; N17-R66 PolarHBondContact ND2-NE 3.48Å; N17-R66 WeakPolarHBondContact O-CD 3.49Å; N17-M118 PolarHBondContact ND2-O 2.83Å; N17-Y119 WeakPolarHBondContact OD1-CA 3.49Å; N17-A120 HydrophobicContact CB-CB 3.81Å; N17-A120 PolarHBondContact ND2-N 2.74Å; N17-A120 PolarHBondContact OD1-N 3.49Å
18M97.8Very high95.1Very high3 Ų358.7 Ų58.72%0.01530%0.303CS..EExtended strand (participates in β ladder)trans-98.1143175.6-61.5-177.369.500110.4T14 I15 L20 R66 V67 Y70 Y119 L135T14-M18 CarbonylContact C-O 3.52Å; T14-M18 WeakPolarHBondContact CA-O 3.38Å; T14-M18 WeakPolarHBondContact CB-O 3.4Å; I15-M18 PolarHBondContact N-O 3.1Å; I15-M18 PolarHBondContact O-N 2.81Å; M18-L20 PolarHBondContact O-N 3.4Å; M18-R66 HydrophobicContact CG-CB 4.24Å; M18-V67 HydrophobicContact CB-CG2 4.21Å; M18-V67 HydrophobicContact CE-CB 4.47Å; M18-V67 HydrophobicContact CE-CG2 4.08Å; M18-Y70 HydrophobicContact CE-CG 4.31Å; M18-Y119 HydrophobicContact CE-CD1 4.41Å; M18-Y119 HydrophobicContact CE-CE1 3.91Å; M18-Y119 HydrophobicContact CG-CD1 3.78Å; M18-Y119 HydrophobicContact CG-CE1 4.06Å; M18-Y119 HydrophobicContact SD-CD1 3.64Å; M18-Y119 HydrophobicContact SD-CE1 3.76Å; M18-L135 HydrophobicContact CE-CD2 3.78Å; M18-L135 HydrophobicContact SD-CD2 4.2Å
19A97.6Very high95.2Very high0 Ų057.8 Ų57.80%031%0.309CS..EExtended strand (participates in β ladder)trans-68.4130.4173.900000110.8A11 L21 E63 A64 V67 Y134A11-A19 HydrophobicContact CB-CB 3.42Å; A11-A19 VanDerWaalsContact CB-CB 3.42Å; A19-L21 HydrophobicContact CB-CD1 4.13Å; A19-L21 HydrophobicContact CB-CD2 3.9Å; A19-L21 HydrophobicContact CB-CG 3.73Å; A19-L21 PolarHBondContact O-N 3.26Å; A19-E63 HydrophobicContact CB-CB 3.97Å; A19-E63 PolarHBondContact N-O 2.99Å; A19-A64 HydrophobicContact CB-CB 4.2Å; A19-V67 HydrophobicContact CB-CG2 4.05Å; A19-V67 VanDerWaalsContact O-CG2 3.22Å; A19-V67 WeakPolarHBondContact O-CG2 3.46Å; A19-Y134 VanDerWaalsContact O-CE1 3.23Å; A19-Y134 WeakPolarHBondContact O-CE1 3.47Å; A19-Y134 PolarHBondContact O-OH 3.38Å
20L97.2Very high95.4Very high22 Ų2256.3 Ų56.312%0.11530%0.301CS..  trans-89.392.5168-178.659000108.2N13 I15 M18 Y134N13-L20 HydrophobicContact CB-CB 4.18Å; N13-L20 HydrophobicContact CB-CD2 4.36Å; N13-L20 PolarHBondContact O-N 3.02Å; I15-L20 HydrophobicContact CD1-CB 4.14Å; I15-L20 HydrophobicContact CD1-CD1 3.6Å; I15-L20 HydrophobicContact CD1-CD2 3.93Å; I15-L20 HydrophobicContact CD1-CG 4.07Å; I15-L20 HydrophobicContact CG1-CB 4.18Å; I15-L20 HydrophobicContact CG1-CD2 4.19Å; M18-L20 PolarHBondContact O-N 3.4Å; L20-Y134 HydrophobicContact CD1-CD1 4.15Å; L20-Y134 HydrophobicContact CD1-CD2 3.54Å; L20-Y134 HydrophobicContact CD1-CE1 4.29Å; L20-Y134 HydrophobicContact CD1-CE2 3.72Å; L20-Y134 HydrophobicContact CD1-CG 3.77Å
21L97.3Very high95.8Very high6 Ų650.5 Ų50.53%0.03126%0.264CS..  trans-96.8145.1-173-63.1173000111F8 A11 A19 I41 A64 Y134F8-L21 HydrophobicContact CB-CD1 3.86Å; F8-L21 HydrophobicContact CB-CD2 4.04Å; F8-L21 HydrophobicContact CG-CD1 4.48Å; A11-L21 HydrophobicContact CB-CD2 4.3Å; A19-L21 HydrophobicContact CB-CD1 4.13Å; A19-L21 HydrophobicContact CB-CD2 3.9Å; A19-L21 HydrophobicContact CB-CG 3.73Å; A19-L21 PolarHBondContact O-N 3.26Å; L21-I41 HydrophobicContact CB-CG2 4.43Å; L21-I41 HydrophobicContact CD1-CB 3.71Å; L21-I41 HydrophobicContact CD1-CD1 3.91Å; L21-I41 HydrophobicContact CD1-CG1 3.75Å; L21-I41 HydrophobicContact CD1-CG2 4.12Å; L21-A64 HydrophobicContact CD1-CB 4.23Å; L21-Y134 PolarHBondContact N-OH 3Å; L21-Y134 VanDerWaalsContact N-OH 3.14Å
22P96.8Very high96.1Very high47 Ų4752.4 Ų52.431%0.30527%0.274SS..  trans-60.1146.7169.3-23.535.1000112.4P32 L37P22-P32 CarbonylContact C-O 3.5Å; P22-P32 WeakPolarHBondContact CA-O 3.45Å; P22-P32 HydrophobicContact CB-CB 4.17Å; P22-P32 HydrophobicContact CG-CB 4.25Å; P22-P32 HydrophobicContact CG-CG 4.42Å; P22-L37 HydrophobicContact CB-CD1 3.87Å
23L97.8Very high96.5Very high0 Ų053.6 Ų53.60%027%0.274CS..BIsolated β-bridgetrans-130.5142.3-178.7-63.6177.9000111.8T25 A31 P32 M33 N34 D40 I41 I42 Y134 Q137 L138L23-T25 VanDerWaalsContact C-N 3.31Å; L23-T25 HydrophobicContact CB-CG2 3.76Å; L23-T25 HydrophobicContact CD1-CG2 4.46Å; L23-T25 PolarHBondContact O-N 2.89Å; L23-T25 VanDerWaalsContact O-N 3.09Å; L23-A31 HydrophobicContact CB-CB 4.31Å; L23-A31 HydrophobicContact CD1-CB 3.62Å; L23-A31 HydrophobicContact CG-CB 3.81Å; L23-P32 PolarHBondContact N-O 3.38Å; L23-M33 WeakPolarHBondContact O-CA 3.21Å; L23-N34 PolarHBondContact O-N 3.48Å; L23-D40 HydrophobicContact CD2-CB 4.44Å; L23-I41 HydrophobicContact CD2-CG2 3.63Å; L23-I42 HydrophobicContact CD1-CD1 4.37Å; L23-I42 HydrophobicContact CD2-CD1 3.94Å; L23-I42 HydrophobicContact CD2-CG1 4.03Å; L23-Y134 HydrophobicContact CD1-CE2 4.39Å; L23-Q137 HydrophobicContact CD1-CG 4.4Å; L23-L138 HydrophobicContact CD1-CD2 3.7Å; L23-L138 HydrophobicContact CD1-CG 4.25Å; L23-L138 HydrophobicContact CD2-CD2 3.92Å; L23-L138 HydrophobicContact CG-CD2 4.42Å
24R97.9Very high96.6Very high71 Ų7151.7 Ų51.727%0.26826%0.264SS..  trans-80.479.8165.6-177.517762.9-150-6.6109.3N34 M35 L37 E38 D40 D43 R145R24-N34 WeakPolarHBondContact CA-O 3.19Å; R24-M35 HydrophobicContact CG-CE 4.05Å; R24-M35 HydrophobicContact CG-SD 4.17Å; R24-L37 HydrophobicContact CB-CB 4.34Å; R24-L37 WeakPolarHBondContact CD-O 3.32Å; R24-L37 PolarHBondContact NH1-O 3.2Å; R24-E38 PolarHBondContact NH1-O 3.43Å; R24-D40 PolarHBondContact N-OD2 3.02Å; R24-D43 IonicContact CZ-OD2 3.65Å; R24-D43 IonicContact NH2-OD1 3.09Å; R24-D43 PolarHBondContact NH2-OD1 3.17Å; R24-D43 IonicContact NH2-OD2 3.91Å; R24-D43 PolarHBondContact NH2-OD2 3.08Å; R24-D43 VanDerWaalsContact NH2-OD2 3.09Å; R24-R145 PolarHBondContact O-NH2 3.46Å
25T97.8Very high96.6Very high3 Ų352.8 Ų52.82%0.01827%0.265CS..  trans-140.5153.3-175.9-1730000112.5L23 F27 M33 Q137 E141L23-T25 VanDerWaalsContact C-N 3.31Å; L23-T25 HydrophobicContact CB-CG2 3.76Å; L23-T25 HydrophobicContact CD1-CG2 4.46Å; L23-T25 PolarHBondContact O-N 2.89Å; L23-T25 VanDerWaalsContact O-N 3.09Å; T25-F27 WeakPolarHBondContact OG1-CD2 3.29Å; T25-F27 PolarHBondContact OG1-N 2.59Å; T25-M33 HydrophobicContact CG2-CG 4.02Å; T25-Q137 HydrophobicContact CG2-CG 4.12Å; T25-E141 WeakPolarHBondContact CA-OE2 3.44Å; T25-E141 WeakPolarHBondContact CB-OE2 3.36Å; T25-E141 PolarHBondContact OG1-OE2 3.18Å
26K96.5Very high96.6Very high182 Ų18259.6 Ų59.679%0.79130%0.301SS*.  trans-99.6-7.6168.9-61-178.1-178.5179.20112.4M35K26-M35 HydrophobicContact CG-SD 4.17Å
27F97.7Very high96.6Very high66 Ų6660.9 Ų60.929%0.28930%0.304SS..SBendtrans-73.7134.1178-67.5-71.5000110T25 Q137 Q140 E141 V144T25-F27 WeakPolarHBondContact OG1-CD2 3.29Å; T25-F27 PolarHBondContact OG1-N 2.59Å; F27-Q137 HydrophobicContact CB-CG 4.25Å; F27-Q137 PolarHBondContact O-NE2 3.07Å; F27-Q140 HydrophobicContact CB-CB 4.33Å; F27-Q140 HydrophobicContact CD1-CB 3.84Å; F27-Q140 HydrophobicContact CD1-CG 4.29Å; F27-Q140 HydrophobicContact CD2-CB 3.69Å; F27-Q140 HydrophobicContact CE1-CB 4.03Å; F27-Q140 HydrophobicContact CE1-CG 4.49Å; F27-Q140 HydrophobicContact CE2-CB 3.9Å; F27-Q140 HydrophobicContact CG-CB 3.68Å; F27-Q140 HydrophobicContact CZ-CB 4.06Å; F27-E141 HydrophobicContact CD2-CB 4.1Å; F27-E141 WeakPolarHBondContact CD2-OE2 3.38Å; F27-V144 HydrophobicContact CE2-CG2 3.83Å; F27-V144 HydrophobicContact CZ-CG2 3.79Å
28R96.8Very high96.5Very high232 Ų23268 Ų6888%0.87534%0.336SS*.  trans-66.1138.8175.8-67.4-178.6-177.7-105.10.8109.5
29G96.8Very high96.5Very high35 Ų3571.4 Ų71.436%0.36135%0.351SS..SBendtrans171.2-178.117200000112A31 Q137G29-A31 VanDerWaalsContact C-N 3.34Å; G29-A31 PolarHBondContact O-N 3.1Å; G29-Q137 VanDerWaalsContact CA-CD 3.46Å; G29-Q137 VanDerWaalsContact CA-OE1 3.3Å
30P97.1Very high96.5Very high47 Ų4771.4 Ų71.431%0.30535%0.351SS..SBendtrans-73.6-17-174.9-20.935.9000115.2T130 Y134P30-T130 HydrophobicContact CB-CG2 3.7Å; P30-T130 HydrophobicContact CG-CG2 3.99Å; P30-T130 WeakPolarHBondContact CG-O 3.26Å; P30-Y134 VanDerWaalsContact CD-N 3.34Å
31A96.6Very high96.5Very high4 Ų470.4 Ų70.43%0.03335%0.346CS..SBendtrans-64.8134.4176.200000109.9L23 G29 M33 Y134L23-A31 HydrophobicContact CB-CB 4.31Å; L23-A31 HydrophobicContact CD1-CB 3.62Å; L23-A31 HydrophobicContact CG-CB 3.81Å; G29-A31 VanDerWaalsContact C-N 3.34Å; G29-A31 PolarHBondContact O-N 3.1Å; A31-M33 PolarHBondContact O-N 3.14Å; A31-M33 VanDerWaalsContact O-N 3.08Å; A31-Y134 HydrophobicContact CB-CD2 3.82Å; A31-Y134 HydrophobicContact CB-CE2 3.75Å
32P93.7Very high96.6Very high63 Ų6370.1 Ų70.141%0.40934%0.344SS..PPolyproline II helixtrans-55.7117.4170-23.833.6000110.3P22 L23P22-P32 CarbonylContact C-O 3.5Å; P22-P32 WeakPolarHBondContact CA-O 3.45Å; P22-P32 HydrophobicContact CB-CB 4.17Å; P22-P32 HydrophobicContact CG-CB 4.25Å; P22-P32 HydrophobicContact CG-CG 4.42Å; L23-P32 PolarHBondContact N-O 3.38Å
33M95.6Very high96.7Very high108 Ų10869.7 Ų69.753%0.53234%0.34SS..BIsolated β-bridgetrans-83.5122.2179.1-65.5177.9-70.500109.3L23 T25 A31L23-M33 WeakPolarHBondContact O-CA 3.21Å; T25-M33 HydrophobicContact CG2-CG 4.02Å; A31-M33 PolarHBondContact O-N 3.14Å; A31-M33 VanDerWaalsContact O-N 3.08Å
34N94.3Very high96.7Very high64 Ų6469.8 Ų69.834%0.34234%0.34SS..  trans-138105.7173.9-178.9-2.3000109.3L23 R24 D36 L37L23-N34 PolarHBondContact O-N 3.48Å; R24-N34 WeakPolarHBondContact CA-O 3.19Å; N34-D36 PolarHBondContact O-N 2.86Å; N34-D36 WeakPolarHBondContact OD1-CB 3.19Å; N34-D36 PolarHBondContact OD1-N 2.86Å; N34-L37 HydrophobicContact CB-CD1 3.92Å; N34-L37 HydrophobicContact CB-CG 3.82Å; N34-L37 WeakPolarHBondContact O-CG 3.23Å; N34-L37 PolarHBondContact O-N 2.83Å
35M95.6Very high96.7Very high96 Ų9666.4 Ų66.447%0.47333%0.327SS..THydrogen-bonded Turntrans-71.6-17.8-177.8-70.6-59.1-56.700113.3R24 K26 L37R24-M35 HydrophobicContact CG-CE 4.05Å; R24-M35 HydrophobicContact CG-SD 4.17Å; K26-M35 HydrophobicContact CG-SD 4.17Å; M35-L37 VanDerWaalsContact C-N 3.31Å
36D96.1Very high96.7Very high152 Ų15266.8 Ų66.881%0.81333%0.329SS*.THydrogen-bonded Turntrans-86.6-1.7-178.2-56.1-41.2000112.7N34 E38N34-D36 PolarHBondContact O-N 2.86Å; N34-D36 WeakPolarHBondContact OD1-CB 3.19Å; N34-D36 PolarHBondContact OD1-N 2.86Å; D36-E38 PolarHBondContact O-N 2.88Å
37L95.2Very high96.8Very high44 Ų4466.7 Ų66.723%0.2333%0.325CS..  trans-62.9123.1173.2-68.1171.2000110.4P22 R24 N34 M35 D40P22-L37 HydrophobicContact CB-CD1 3.87Å; R24-L37 HydrophobicContact CB-CB 4.34Å; R24-L37 WeakPolarHBondContact CD-O 3.32Å; R24-L37 PolarHBondContact NH1-O 3.2Å; N34-L37 HydrophobicContact CB-CD1 3.92Å; N34-L37 HydrophobicContact CB-CG 3.82Å; N34-L37 WeakPolarHBondContact O-CG 3.23Å; N34-L37 PolarHBondContact O-N 2.83Å; M35-L37 VanDerWaalsContact C-N 3.31Å; L37-D40 HydrophobicContact CD1-CB 4.41Å
38E95.5Very high96.7Very high182 Ų18264 Ų6485%0.8531%0.313SS*.SBendtrans-66.2-45173.7-172.3-179.8176.400111R24 D36R24-E38 PolarHBondContact NH1-O 3.43Å; D36-E38 PolarHBondContact O-N 2.88Å
39K96.5Very high96.7Very high75 Ų7553 Ų5333%0.32627%0.272SS..  trans-137.7141.7-179.1-170.8-170.2169.8-170.80109.7E7 F8 D43E7-K39 IonicContact OE2-NZ 3.56Å; E7-K39 PolarHBondContact OE2-NZ 3.02Å; F8-K39 HydrophobicContact CZ-CD 4.35Å; F8-K39 HydrophobicContact CZ-CG 4.1Å; K39-D43 HydrophobicContact CG-CB 3.87Å
40D97.5Very high96.6Very high1 Ų155.4 Ų55.41%0.00527%0.273CS..  trans-130.6-178168.966.525.4000112.4F8 L23 R24 L37 I42 D43 E44 R145F8-D40 VanDerWaalsContact CE2-O 3.32Å; F8-D40 WeakPolarHBondContact CE2-O 3.22Å; F8-D40 WeakPolarHBondContact CZ-O 3.4Å; L23-D40 HydrophobicContact CD2-CB 4.44Å; R24-D40 PolarHBondContact N-OD2 3.02Å; L37-D40 HydrophobicContact CD1-CB 4.41Å; D40-I42 PolarHBondContact O-N 3.46Å; D40-I42 WeakPolarHBondContact OD1-CB 3.44Å; D40-I42 PolarHBondContact OD1-N 3.24Å; D40-D43 PolarHBondContact N-OD2 3.03Å; D40-D43 WeakPolarHBondContact O-CB 3.49Å; D40-D43 PolarHBondContact O-N 2.93Å; D40-D43 VanDerWaalsContact O-N 3.1Å; D40-D43 PolarHBondContact OD1-N 3.06Å; D40-E44 PolarHBondContact O-N 2.89Å; D40-E44 VanDerWaalsContact O-N 3.08Å; D40-R145 VanDerWaalsContact CG-NH1 3.32Å; D40-R145 IonicContact OD1-CZ 3.14Å; D40-R145 IonicContact OD1-NH1 2.72Å; D40-R145 PolarHBondContact OD1-NH1 2.93Å; D40-R145 IonicContact OD1-NH2 3.42Å; D40-R145 IonicContact OD2-CZ 3.49Å; D40-R145 IonicContact OD2-NH1 3.51Å; D40-R145 PolarHBondContact OD2-NH1 3.48Å; D40-R145 IonicContact OD2-NH2 2.83Å; D40-R145 PolarHBondContact OD2-NH2 2.88Å
41I98.1Very high96.4Very high1 Ų155.9 Ų55.91%0.00528%0.277CS..Hα-helixtrans-59.8-26.4-177.5-169.164.7000113.1S6 F8 L21 L23 E44 A45 V67 L68 L71 L138S6-I41 WeakPolarHBondContact OG-CD1 3.39Å; F8-I41 HydrophobicContact CD2-CB 4.07Å; F8-I41 HydrophobicContact CD2-CD1 3.73Å; F8-I41 HydrophobicContact CE2-CB 4.31Å; F8-I41 HydrophobicContact CE2-CD1 4.4Å; F8-I41 VanDerWaalsContact CE2-N 3.34Å; L21-I41 HydrophobicContact CB-CG2 4.43Å; L21-I41 HydrophobicContact CD1-CB 3.71Å; L21-I41 HydrophobicContact CD1-CD1 3.91Å; L21-I41 HydrophobicContact CD1-CG1 3.75Å; L21-I41 HydrophobicContact CD1-CG2 4.12Å; L23-I41 HydrophobicContact CD2-CG2 3.63Å; I41-E44 VanDerWaalsContact CD1-OE2 3.26Å; I41-E44 WeakPolarHBondContact CD1-OE2 3.48Å; I41-A45 WeakPolarHBondContact O-CB 3.17Å; I41-A45 PolarHBondContact O-N 3.42Å; I41-V67 HydrophobicContact CG1-CB 4.23Å; I41-V67 HydrophobicContact CG1-CG1 3.83Å; I41-V67 HydrophobicContact CG2-CG1 4.27Å; I41-L68 HydrophobicContact CD1-CB 4.4Å; I41-L71 HydrophobicContact CG1-CD1 4.03Å; I41-L71 HydrophobicContact CG2-CD1 4.22Å; I41-L138 HydrophobicContact CG2-CD2 4.2Å
42I98.7Very high96.4Very high0 Ų055.7 Ų55.70%028%0.275CS..Hα-helixtrans-73.7-41.9178-61.9177.9000109.6L23 D40 E44 A45 L46 L71 L138 E141 L142L23-I42 HydrophobicContact CD1-CD1 4.37Å; L23-I42 HydrophobicContact CD2-CD1 3.94Å; L23-I42 HydrophobicContact CD2-CG1 4.03Å; D40-I42 PolarHBondContact O-N 3.46Å; D40-I42 WeakPolarHBondContact OD1-CB 3.44Å; D40-I42 PolarHBondContact OD1-N 3.24Å; I42-E44 VanDerWaalsContact C-N 3.33Å; I42-A45 PolarHBondContact O-N 2.98Å; I42-L46 HydrophobicContact CG2-CD1 4.2Å; I42-L46 WeakPolarHBondContact O-CG 3.4Å; I42-L46 PolarHBondContact O-N 3.2Å; I42-L71 HydrophobicContact CG1-CD1 4.25Å; I42-L138 HydrophobicContact CD1-CD2 4.2Å; I42-L138 HydrophobicContact CG1-CD2 4.12Å; I42-E141 HydrophobicContact CD1-CB 3.62Å; I42-E141 HydrophobicContact CD1-CG 3.52Å; I42-L142 HydrophobicContact CG2-CB 4.07Å; I42-L142 HydrophobicContact CG2-CD1 3.68Å; I42-L142 HydrophobicContact CG2-CG 4.41Å
43D98.3Very high96.4Very high38 Ų3852.8 Ų52.820%0.20326%0.256CS..Hα-helixtrans-62.9-42.1175-62-43.5000111.1R24 K39 D40 L46 Y47 R145R24-D43 IonicContact CZ-OD2 3.65Å; R24-D43 IonicContact NH2-OD1 3.09Å; R24-D43 PolarHBondContact NH2-OD1 3.17Å; R24-D43 IonicContact NH2-OD2 3.91Å; R24-D43 PolarHBondContact NH2-OD2 3.08Å; R24-D43 VanDerWaalsContact NH2-OD2 3.09Å; K39-D43 HydrophobicContact CG-CB 3.87Å; D40-D43 PolarHBondContact N-OD2 3.03Å; D40-D43 WeakPolarHBondContact O-CB 3.49Å; D40-D43 PolarHBondContact O-N 2.93Å; D40-D43 VanDerWaalsContact O-N 3.1Å; D40-D43 PolarHBondContact OD1-N 3.06Å; D43-L46 PolarHBondContact O-N 2.73Å; D43-Y47 VanDerWaalsContact O-CB 3.29Å; D43-Y47 WeakPolarHBondContact O-CB 3.48Å; D43-Y47 PolarHBondContact O-N 2.68Å; D43-R145 IonicContact OD1-CZ 3.45Å; D43-R145 IonicContact OD1-NH1 3.35Å; D43-R145 PolarHBondContact OD1-NH1 2.85Å; D43-R145 IonicContact OD2-NH1 2.8Å; D43-R145 PolarHBondContact OD2-NH1 2.97Å; D43-R145 VanDerWaalsContact OD2-NH1 3.14Å
44E97.9Very high96.3Very high2 Ų253.3 Ų53.31%0.00926%0.256CS..Hα-helixtrans-62.4-46.2174.5179.7175.3-105.100112.2S6 E7 F8 D40 I41 I42 L46 Y47 L48S6-E44 WeakPolarHBondContact CA-OE2 3.05Å; S6-E44 WeakPolarHBondContact CB-OE2 3.49Å; S6-E44 PolarHBondContact OG-OE2 3.09Å; E7-E44 WeakPolarHBondContact CB-OE1 3.43Å; E7-E44 WeakPolarHBondContact CG-OE1 3.35Å; E7-E44 PolarHBondContact N-OE1 3.37Å; F8-E44 WeakPolarHBondContact CD2-OE2 3.24Å; F8-E44 HydrophobicContact CE2-CB 3.78Å; F8-E44 HydrophobicContact CE2-CG 4.48Å; D40-E44 PolarHBondContact O-N 2.89Å; D40-E44 VanDerWaalsContact O-N 3.08Å; I41-E44 VanDerWaalsContact CD1-OE2 3.26Å; I41-E44 WeakPolarHBondContact CD1-OE2 3.48Å; I42-E44 VanDerWaalsContact C-N 3.33Å; E44-L46 PolarHBondContact O-N 3.08Å; E44-Y47 PolarHBondContact O-N 2.86Å; E44-L48 HydrophobicContact CG-CD1 3.64Å; E44-L48 HydrophobicContact CG-CG 4.16Å; E44-L48 WeakPolarHBondContact O-CB 3.5Å; E44-L48 WeakPolarHBondContact O-CG 3.42Å; E44-L48 PolarHBondContact O-N 3.26Å
45A98.5Very high96.3Very high0 Ų051.8 Ų51.80%025%0.248CC..Hα-helixtrans-60.1-44.6177.600000112.1I41 I42 Y47 L48 F49 L68 L71 I75I41-A45 WeakPolarHBondContact O-CB 3.17Å; I41-A45 PolarHBondContact O-N 3.42Å; I42-A45 PolarHBondContact O-N 2.98Å; A45-Y47 VanDerWaalsContact C-N 3.33Å; A45-Y47 PolarHBondContact O-N 3.49Å; A45-L48 PolarHBondContact O-N 2.86Å; A45-F49 WeakPolarHBondContact O-CA 3.33Å; A45-F49 VanDerWaalsContact O-CB 3.29Å; A45-F49 WeakPolarHBondContact O-CB 3.46Å; A45-F49 PolarHBondContact O-N 3.02Å; A45-L68 HydrophobicContact CB-CD1 3.75Å; A45-L71 HydrophobicContact CB-CB 3.63Å; A45-L71 HydrophobicContact CB-CD1 3.76Å; A45-L71 HydrophobicContact CB-CG 4.36Å; A45-I75 HydrophobicContact CB-CD1 4.45Å
46L98.2Very high96.1Very high10 Ų1057 Ų575%0.05226%0.262CS..Hα-helixtrans-65.5-36.2177-71.5170.5000112.4I42 D43 E44 I75 L142 R145 L146I42-L46 HydrophobicContact CG2-CD1 4.2Å; I42-L46 WeakPolarHBondContact O-CG 3.4Å; I42-L46 PolarHBondContact O-N 3.2Å; D43-L46 PolarHBondContact O-N 2.73Å; E44-L46 PolarHBondContact O-N 3.08Å; L46-I75 HydrophobicContact CD2-CD1 3.94Å; L46-I75 HydrophobicContact CD2-CG1 4.3Å; L46-L142 HydrophobicContact CD1-CD1 4.46Å; L46-L142 HydrophobicContact CD2-CD1 4Å; L46-L142 HydrophobicContact CG-CD1 3.98Å; L46-R145 HydrophobicContact CD1-CB 3.78Å; L46-L146 HydrophobicContact CD2-CB 4.27Å; L46-L146 HydrophobicContact CD2-CD1 3.78Å
47Y97.3Very high95.9Very high181 Ų18157.8 Ų57.871%0.7126%0.261SS*.Hα-helixtrans-68.1-48.9176.4178.1-102.8000111.6D43 E44 A45D43-Y47 VanDerWaalsContact O-CB 3.29Å; D43-Y47 WeakPolarHBondContact O-CB 3.48Å; D43-Y47 PolarHBondContact O-N 2.68Å; E44-Y47 PolarHBondContact O-N 2.86Å; A45-Y47 VanDerWaalsContact C-N 3.33Å; A45-Y47 PolarHBondContact O-N 3.49Å
48L96.9Very high95.8Very high9 Ų956.5 Ų56.55%0.04725%0.253CS..Hα-helixtrans-79-18.9-176.1-64.8-179.3000113.4H4 E44 A45 K50 S51 L52 L68H4-L48 HydrophobicContact CB-CD1 3.86Å; H4-L48 HydrophobicContact CB-CD2 3.63Å; H4-L48 HydrophobicContact CB-CG 4.36Å; E44-L48 HydrophobicContact CG-CD1 3.64Å; E44-L48 HydrophobicContact CG-CG 4.16Å; E44-L48 WeakPolarHBondContact O-CB 3.5Å; E44-L48 WeakPolarHBondContact O-CG 3.42Å; E44-L48 PolarHBondContact O-N 3.26Å; A45-L48 PolarHBondContact O-N 2.86Å; L48-K50 VanDerWaalsContact C-N 3.3Å; L48-K50 PolarHBondContact O-N 3.09Å; L48-K50 VanDerWaalsContact O-N 3.1Å; L48-S51 WeakPolarHBondContact O-CA 3.18Å; L48-S51 PolarHBondContact O-N 3.08Å; L48-S51 PolarHBondContact O-OG 2.83Å; L48-L52 HydrophobicContact CB-CD1 3.69Å; L48-L52 HydrophobicContact CB-CG 4.05Å; L48-L52 HydrophobicContact CD1-CD1 4.42Å; L48-L52 PolarHBondContact O-N 2.72Å; L48-L68 HydrophobicContact CD1-CD1 4.45Å; L48-L68 HydrophobicContact CD1-CD2 3.97Å
49F97Very high95.7Very high0 Ų054.2 Ų54.20%024%0.242CC..Hα-helixtrans-44.4-50.8-173.7174.8-103.8000113.8A45 S51 L52 I53 V72 I75 L76 L79 W162 F165A45-F49 WeakPolarHBondContact O-CA 3.33Å; A45-F49 VanDerWaalsContact O-CB 3.29Å; A45-F49 WeakPolarHBondContact O-CB 3.46Å; A45-F49 PolarHBondContact O-N 3.02Å; F49-S51 VanDerWaalsContact C-N 3.27Å; F49-S51 PolarHBondContact O-N 3.14Å; F49-L52 PolarHBondContact O-N 3.38Å; F49-I53 HydrophobicContact CE2-CB 4.45Å; F49-I53 HydrophobicContact CE2-CD1 4.48Å; F49-I53 HydrophobicContact CZ-CB 4.41Å; F49-I53 HydrophobicContact CZ-CG1 4.25Å; F49-I53 WeakPolarHBondContact O-CB 3.37Å; F49-I53 WeakPolarHBondContact O-CG2 3.49Å; F49-I53 PolarHBondContact O-N 2.91Å; F49-V72 HydrophobicContact CD2-CG1 4.04Å; F49-V72 HydrophobicContact CE2-CG1 4.3Å; F49-I75 HydrophobicContact CB-CD1 4Å; F49-I75 HydrophobicContact CD1-CG2 4.19Å; F49-I75 HydrophobicContact CD2-CB 3.79Å; F49-I75 HydrophobicContact CD2-CD1 3.76Å; F49-I75 HydrophobicContact CD2-CG1 4.38Å; F49-I75 HydrophobicContact CD2-CG2 3.52Å; F49-I75 HydrophobicContact CE1-CG2 4.07Å; F49-I75 HydrophobicContact CE2-CB 3.76Å; F49-I75 HydrophobicContact CE2-CG2 3.38Å; F49-I75 HydrophobicContact CG-CD1 4.07Å; F49-I75 HydrophobicContact CG-CG2 3.93Å; F49-I75 HydrophobicContact CZ-CG2 3.67Å; F49-L76 HydrophobicContact CE2-CD2 4.14Å; F49-L76 HydrophobicContact CE2-CG 4.09Å; F49-L76 HydrophobicContact CZ-CD2 3.9Å; F49-L76 HydrophobicContact CZ-CG 4.35Å; F49-L79 HydrophobicContact CE1-CD1 3.74Å; F49-L79 HydrophobicContact CZ-CD1 3.59Å; F49-W162 HydrophobicContact CD1-CE3 4.15Å; F49-W162 HydrophobicContact CD1-CH2 4.24Å; F49-W162 AromaticContact CD1-CZ3 3.48Å; F49-W162 HydrophobicContact CD1-CZ3 3.48Å; F49-W162 VanDerWaalsContact CD1-CZ3 3.48Å; F49-W162 HydrophobicContact CE1-CE3 4.19Å; F49-W162 AromaticContact CE1-CZ3 3.95Å; F49-W162 HydrophobicContact CE1-CZ3 3.95Å; F49-W162 HydrophobicContact CG-CZ3 4.21Å; F49-F165 HydrophobicContact CE1-CB 3.98Å; F49-F165 AromaticContact CE1-CD2 4Å; F49-F165 HydrophobicContact CE1-CD2 4Å; F49-F165 AromaticContact CE1-CG 3.97Å; F49-F165 HydrophobicContact CE1-CG 3.97Å; F49-F165 HydrophobicContact CZ-CB 4.03Å; F49-F165 HydrophobicContact CZ-CG 4.44Å
50K94Very high95.6Very high87 Ų8752.8 Ų52.838%0.37824%0.238SC..Hα-helixtrans-68.4-24.7-176.7-66.8-174.9-178.8-179.40113.3L48 F54 F165L48-K50 VanDerWaalsContact C-N 3.3Å; L48-K50 PolarHBondContact O-N 3.09Å; L48-K50 VanDerWaalsContact O-N 3.1Å; K50-F54 VanDerWaalsContact O-CD2 3.26Å; K50-F54 WeakPolarHBondContact O-CD2 3.43Å; K50-F54 WeakPolarHBondContact O-CE2 3.49Å; K50-F165 HydrophobicContact CD-CE2 4.23Å; K50-F165 HydrophobicContact CG-CE2 4.01Å; K50-F165 HydrophobicContact CG-CZ 4.17Å
51S93.5Very high95.5Very high56 Ų5659 Ų5939%0.39227%0.265SS..Hα-helixtrans-80.7-40.217266.30000112L48 F49L48-S51 WeakPolarHBondContact O-CA 3.18Å; L48-S51 PolarHBondContact O-N 3.08Å; L48-S51 PolarHBondContact O-OG 2.83Å; F49-S51 VanDerWaalsContact C-N 3.27Å; F49-S51 PolarHBondContact O-N 3.14Å
52L95.5Very high95.4Very high1 Ų159.6 Ų59.61%0.00527%0.27CS..Hα-helixtrans-77-33.9-173-66.2177.9000112.9V3 L48 F49 F54 L55 Y58 L68 V72 F170V3-L52 HydrophobicContact CG1-CD2 4.43Å; L48-L52 HydrophobicContact CB-CD1 3.69Å; L48-L52 HydrophobicContact CB-CG 4.05Å; L48-L52 HydrophobicContact CD1-CD1 4.42Å; L48-L52 PolarHBondContact O-N 2.72Å; F49-L52 PolarHBondContact O-N 3.38Å; L52-F54 PolarHBondContact O-N 3.19Å; L52-L55 HydrophobicContact CD2-CD1 3.75Å; L52-L55 WeakPolarHBondContact O-CB 3.36Å; L52-L55 WeakPolarHBondContact O-CG 3.35Å; L52-L55 PolarHBondContact O-N 2.78Å; L52-Y58 HydrophobicContact CD2-CD2 4.08Å; L52-Y58 HydrophobicContact CD2-CE2 3.56Å; L52-L68 HydrophobicContact CD1-CD1 4.24Å; L52-L68 HydrophobicContact CD1-CD2 4.07Å; L52-L68 HydrophobicContact CD1-CG 4.11Å; L52-V72 HydrophobicContact CB-CG2 4.42Å; L52-V72 HydrophobicContact CD1-CG2 3.85Å; L52-F170 HydrophobicContact CB-CE2 4.2Å; L52-F170 WeakPolarHBondContact O-CD2 3.49Å; L52-F170 VanDerWaalsContact O-CE2 3.25Å; L52-F170 WeakPolarHBondContact O-CE2 3.32Å
53I95.1Very high95.3Very high2 Ų263.5 Ų63.51%0.0129%0.288CS..THydrogen-bonded Turntrans-57.9-19-174-172.349000114.7F49 L76 F165 R168 F170F49-I53 HydrophobicContact CE2-CB 4.45Å; F49-I53 HydrophobicContact CE2-CD1 4.48Å; F49-I53 HydrophobicContact CZ-CB 4.41Å; F49-I53 HydrophobicContact CZ-CG1 4.25Å; F49-I53 WeakPolarHBondContact O-CB 3.37Å; F49-I53 WeakPolarHBondContact O-CG2 3.49Å; F49-I53 PolarHBondContact O-N 2.91Å; I53-L76 HydrophobicContact CD1-CD1 3.52Å; I53-L76 HydrophobicContact CD1-CD2 3.4Å; I53-L76 VanDerWaalsContact CD1-CD2 3.4Å; I53-L76 HydrophobicContact CD1-CG 3.8Å; I53-L76 HydrophobicContact CG1-CD2 4.14Å; I53-F165 HydrophobicContact CG1-CD1 4.18Å; I53-F165 HydrophobicContact CG2-CD1 3.85Å; I53-F165 HydrophobicContact CG2-CE1 3.82Å; I53-R168 HydrophobicContact CD1-CB 4.01Å; I53-R168 HydrophobicContact CG1-CB 3.91Å; I53-F170 HydrophobicContact CD1-CB 3.76Å
54F92.8Very high95.3Very high119 Ų11961.7 Ų61.752%0.52228%0.278SS..THydrogen-bonded Turntrans-89.3-8179.3-64-78.3000113.9K50 L52 F165K50-F54 VanDerWaalsContact O-CD2 3.26Å; K50-F54 WeakPolarHBondContact O-CD2 3.43Å; K50-F54 WeakPolarHBondContact O-CE2 3.49Å; L52-F54 PolarHBondContact O-N 3.19Å; F54-F165 AromaticContact CE2-CE1 3.94Å; F54-F165 HydrophobicContact CE2-CE1 3.94Å; F54-F165 AromaticContact CZ-CE1 3.65Å; F54-F165 HydrophobicContact CZ-CE1 3.65Å; F54-F165 HydrophobicContact CZ-CZ 4.42Å
55L93.5Very high95.3Very high32 Ų3261.6 Ų61.617%0.16828%0.278CS..  trans-80129.6-177.6-59176.8000110.8V3 L52 Y58 F170 M171V3-L55 HydrophobicContact CG1-CD1 3.73Å; V3-L55 HydrophobicContact CG2-CD1 4.07Å; V3-L55 HydrophobicContact CG2-CD2 4.32Å; L52-L55 HydrophobicContact CD2-CD1 3.75Å; L52-L55 WeakPolarHBondContact O-CB 3.36Å; L52-L55 WeakPolarHBondContact O-CG 3.35Å; L52-L55 PolarHBondContact O-N 2.78Å; L55-Y58 HydrophobicContact CD1-CD2 3.87Å; L55-Y58 HydrophobicContact CD1-CE2 4.46Å; L55-F170 HydrophobicContact CB-CD2 4.48Å; L55-F170 HydrophobicContact CB-CE2 4.09Å; L55-M171 PolarHBondContact O-N 3Å
56R92.4Very high95.2Very high204 Ų20463.9 Ų63.977%0.7729%0.286SS*.SBendtrans-84.3-20.9171-66.9-172.9179.4178.1-1112.9M171R56-M171 WeakPolarHBondContact O-CA 2.97Å
57Q91.4Very high95.2Very high170 Ų17063.4 Ų63.479%0.79428%0.284SS*.  trans-139.4143.7178.4-66.5178.9-5.900108.4
58Y93.7Very high95.3Very high16 Ų1654.8 Ų54.86%0.06325%0.25CC..  trans-140119.5177.9-170.4-92.1000108V3 H4 H5 L52 L55 L60 D65 V69 F170 M171V3-Y58 HydrophobicContact CG1-CD2 3.6Å; V3-Y58 HydrophobicContact CG1-CE2 3.33Å; H4-Y58 WeakPolarHBondContact O-CE2 3.5Å; H4-Y58 PolarHBondContact O-OH 3.45Å; H5-Y58 WeakPolarHBondContact CA-OH 3.44Å; H5-Y58 AromaticContact ND1-CZ 3.86Å; L52-Y58 HydrophobicContact CD2-CD2 4.08Å; L52-Y58 HydrophobicContact CD2-CE2 3.56Å; L55-Y58 HydrophobicContact CD1-CD2 3.87Å; L55-Y58 HydrophobicContact CD1-CE2 4.46Å; Y58-L60 HydrophobicContact CD1-CD2 4.05Å; Y58-L60 HydrophobicContact CE1-CD2 4.24Å; Y58-D65 HydrophobicContact CE1-CB 4.11Å; Y58-V69 HydrophobicContact CD1-CG2 3.58Å; Y58-V69 HydrophobicContact CE1-CG2 3.82Å; Y58-V69 HydrophobicContact CG-CG2 4.27Å; Y58-F170 HydrophobicContact CD2-CZ 4.23Å; Y58-F170 HydrophobicContact CG-CZ 4.19Å; Y58-M171 WeakPolarHBondContact CB-SD 3.47Å; Y58-M171 HydrophobicContact CG-SD 4.5Å
59E93.4Very high95.3Very high135 Ų13554.4 Ų54.463%0.63125%0.248SC*.  trans-78.2122.9177.1-175.3-176.1-166.600109.1H5 K61H5-E59 PolarHBondContact CE1-O 3.34Å; H5-E59 PolarHBondContact ND1-O 2.74Å; E59-K61 PolarHBondContact O-N 3Å
60L94.4Very high95.3Very high45 Ų4554.7 Ų54.724%0.23625%0.249CC..  trans-82.9108.6177.3-64.8171.3000109.6Y58 D65 R66 V69 M118Y58-L60 HydrophobicContact CD1-CD2 4.05Å; Y58-L60 HydrophobicContact CE1-CD2 4.24Å; L60-D65 HydrophobicContact CD2-CB 3.96Å; L60-R66 HydrophobicContact CD1-CG 3.89Å; L60-R66 HydrophobicContact CD2-CG 3.96Å; L60-R66 HydrophobicContact CG-CG 4.43Å; L60-V69 HydrophobicContact CD2-CG2 3.85Å; L60-M118 HydrophobicContact CD1-CB 3.88Å; L60-M118 HydrophobicContact CD1-CG 4.01Å
61K94.9Very high95.5Very high130 Ų13050.5 Ų50.557%0.56523%0.231SC*.  trans-93.3-18.9179.1-67.4-174.9178.1157.20113.7H5 E59 D65H5-K61 PolarHBondContact CD2-NZ 3.18Å; H5-K61 VanDerWaalsContact NE2-CE 3.35Å; H5-K61 WeakPolarHBondContact NE2-CE 3.49Å; H5-K61 PolarHBondContact NE2-NZ 2.74Å; E59-K61 PolarHBondContact O-N 3Å; K61-D65 WeakPolarHBondContact CA-OD2 3.47Å; K61-D65 WeakPolarHBondContact CB-OD2 3.5Å; K61-D65 PolarHBondContact N-OD2 2.88Å
62S96.2Very high95.7Very high15 Ų1547.9 Ų47.911%0.10521%0.212CC..SBendtrans-148.7171.6-177.569.80000112.7A64 D65 R66S62-A64 PolarHBondContact OG-N 2.95Å; S62-D65 PolarHBondContact N-OD2 3.5Å; S62-D65 WeakPolarHBondContact O-CB 3.44Å; S62-D65 PolarHBondContact O-N 2.9Å; S62-D65 PolarHBondContact OG-N 3.47Å; S62-R66 PolarHBondContact O-NH1 2.93Å
63E97.2Very high95.8Very high82 Ų8248 Ų4838%0.38321%0.213SC..Hα-helixtrans-68.5-27.2169.7-62.376.2-16700111.3T14 N17 A19 R66T14-E63 HydrophobicContact CG2-CB 4.21Å; T14-E63 HydrophobicContact CG2-CG 3.9Å; N17-E63 WeakPolarHBondContact O-CB 3.29Å; N17-E63 WeakPolarHBondContact O-CG 3.45Å; A19-E63 HydrophobicContact CB-CB 3.97Å; A19-E63 PolarHBondContact N-O 2.99Å; E63-R66 PolarHBondContact O-N 3.36Å
64A97.8Very high95.9Very high0 Ų047.9 Ų47.90%021%0.212CC..Hα-helixtrans-71-37.1174.500000111.6V9 A19 L21 S62 R66 V67 L68V9-A64 HydrophobicContact CG1-CB 4.01Å; A19-A64 HydrophobicContact CB-CB 4.2Å; L21-A64 HydrophobicContact CD1-CB 4.23Å; S62-A64 PolarHBondContact OG-N 2.95Å; A64-R66 PolarHBondContact O-N 2.92Å; A64-V67 WeakPolarHBondContact O-CB 3.35Å; A64-V67 PolarHBondContact O-N 3.46Å; A64-L68 PolarHBondContact O-N 3.31Å
65D97.4Very high96.1Very high0 Ų042.2 Ų42.20%019%0.187CC..Hα-helixtrans-57.9-34.1173-78.4-4.5000112.4H5 S6 Y58 L60 K61 S62 L68 V69H5-D65 WeakPolarHBondContact CB-OD1 3.41Å; H5-D65 IonicContact CE1-OD2 2.74Å; H5-D65 IonicContact CG-OD2 3.8Å; H5-D65 IonicContact ND1-OD1 2.83Å; H5-D65 IonicContact ND1-OD2 3.87Å; H5-D65 PolarHBondContact ND1-OD2 2.87Å; S6-D65 PolarHBondContact N-OD1 2.9Å; Y58-D65 HydrophobicContact CE1-CB 4.11Å; L60-D65 HydrophobicContact CD2-CB 3.96Å; K61-D65 WeakPolarHBondContact CA-OD2 3.47Å; K61-D65 WeakPolarHBondContact CB-OD2 3.5Å; K61-D65 PolarHBondContact N-OD2 2.88Å; S62-D65 PolarHBondContact N-OD2 3.5Å; S62-D65 WeakPolarHBondContact O-CB 3.44Å; S62-D65 PolarHBondContact O-N 2.9Å; S62-D65 PolarHBondContact OG-N 3.47Å; D65-L68 WeakPolarHBondContact O-CB 3.45Å; D65-L68 PolarHBondContact O-N 3.43Å; D65-V69 WeakPolarHBondContact O-CB 3.33Å; D65-V69 WeakPolarHBondContact O-CG2 3.26Å; D65-V69 PolarHBondContact O-N 3.18Å
66R97.3Very high96.3Very high47 Ų4740.7 Ų40.718%0.17718%0.179CC..Hα-helixtrans-67.3-38.1175.7-71.5169.5177.792-6.2112N17 M18 L60 S62 E63 A64 Y70 M118 Y119N17-R66 PolarHBondContact ND2-NE 3.48Å; N17-R66 WeakPolarHBondContact O-CD 3.49Å; M18-R66 HydrophobicContact CG-CB 4.24Å; L60-R66 HydrophobicContact CD1-CG 3.89Å; L60-R66 HydrophobicContact CD2-CG 3.96Å; L60-R66 HydrophobicContact CG-CG 4.43Å; S62-R66 PolarHBondContact O-NH1 2.93Å; E63-R66 PolarHBondContact O-N 3.36Å; A64-R66 PolarHBondContact O-N 2.92Å; R66-Y70 WeakPolarHBondContact O-CB 3.37Å; R66-Y70 PolarHBondContact O-N 3.32Å; R66-M118 WeakPolarHBondContact CD-O 3.31Å; R66-M118 PolarHBondContact NE-O 3.24Å; R66-Y119 HydrophobicContact CB-CD1 4.44Å; R66-Y119 HydrophobicContact CB-CE1 3.94Å; R66-Y119 PolarHBondContact O-OH 2.93Å
67V98.1Very high96.4Very high0 Ų031.6 Ų31.60%015%0.146CC..Hα-helixtrans-65.7-43.9173.1-173.60000110M18 A19 I41 A64 V69 Y70 L71 Y134 L138M18-V67 HydrophobicContact CB-CG2 4.21Å; M18-V67 HydrophobicContact CE-CB 4.47Å; M18-V67 HydrophobicContact CE-CG2 4.08Å; A19-V67 HydrophobicContact CB-CG2 4.05Å; A19-V67 VanDerWaalsContact O-CG2 3.22Å; A19-V67 WeakPolarHBondContact O-CG2 3.46Å; I41-V67 HydrophobicContact CG1-CB 4.23Å; I41-V67 HydrophobicContact CG1-CG1 3.83Å; I41-V67 HydrophobicContact CG2-CG1 4.27Å; A64-V67 WeakPolarHBondContact O-CB 3.35Å; A64-V67 PolarHBondContact O-N 3.46Å; V67-V69 PolarHBondContact O-N 3.26Å; V67-Y70 WeakPolarHBondContact O-CB 3.4Å; V67-Y70 PolarHBondContact O-N 2.94Å; V67-L71 HydrophobicContact CG1-CD1 4.13Å; V67-L71 HydrophobicContact CG1-CG 4.41Å; V67-L71 WeakPolarHBondContact O-CG 3.48Å; V67-L71 PolarHBondContact O-N 3.24Å; V67-Y134 HydrophobicContact CG2-CE1 4.47Å; V67-L138 HydrophobicContact CG1-CD1 3.97Å; V67-L138 HydrophobicContact CG1-CD2 4.43Å
68L98Very high96.7Very high0 Ų023.5 Ų23.50%011%0.108CC..Hα-helixtrans-58.8-48.6177.2179.558.8000111.9I41 A45 L48 L52 A64 D65 Y70 L71 V72I41-L68 HydrophobicContact CD1-CB 4.4Å; A45-L68 HydrophobicContact CB-CD1 3.75Å; L48-L68 HydrophobicContact CD1-CD1 4.45Å; L48-L68 HydrophobicContact CD1-CD2 3.97Å; L52-L68 HydrophobicContact CD1-CD1 4.24Å; L52-L68 HydrophobicContact CD1-CD2 4.07Å; L52-L68 HydrophobicContact CD1-CG 4.11Å; A64-L68 PolarHBondContact O-N 3.31Å; D65-L68 WeakPolarHBondContact O-CB 3.45Å; D65-L68 PolarHBondContact O-N 3.43Å; L68-Y70 PolarHBondContact O-N 3.32Å; L68-L71 PolarHBondContact O-N 3.28Å; L68-V72 HydrophobicContact CD1-CG2 4.39Å; L68-V72 WeakPolarHBondContact O-CG2 3.18Å; L68-V72 PolarHBondContact O-N 3.49Å
69V97.2Very high96.8Very high1 Ų122.7 Ų22.71%0.00611%0.105CC..Hα-helixtrans-59.3-46176.6166.40000111Y58 L60 D65 V67 L71 V72 L73 Y119 F170 M171Y58-V69 HydrophobicContact CD1-CG2 3.58Å; Y58-V69 HydrophobicContact CE1-CG2 3.82Å; Y58-V69 HydrophobicContact CG-CG2 4.27Å; L60-V69 HydrophobicContact CD2-CG2 3.85Å; D65-V69 WeakPolarHBondContact O-CB 3.33Å; D65-V69 WeakPolarHBondContact O-CG2 3.26Å; D65-V69 PolarHBondContact O-N 3.18Å; V67-V69 PolarHBondContact O-N 3.26Å; V69-L71 VanDerWaalsContact C-N 3.35Å; V69-L71 PolarHBondContact O-N 2.97Å; V69-V72 PolarHBondContact O-N 3.31Å; V69-L73 HydrophobicContact CG1-CD1 4.17Å; V69-L73 WeakPolarHBondContact O-CG 3.19Å; V69-L73 PolarHBondContact O-N 2.72Å; V69-Y119 WeakPolarHBondContact CG1-OH 3.34Å; V69-F170 HydrophobicContact CB-CE1 4.27Å; V69-F170 HydrophobicContact CG1-CE1 3.97Å; V69-F170 HydrophobicContact CG2-CE1 4.05Å; V69-F170 HydrophobicContact CG2-CZ 4.22Å; V69-M171 HydrophobicContact CG1-SD 4.29Å
70Y97.7Very high96.9Very high6 Ų618.7 Ų18.72%0.0248%0.084CC..Hα-helixtrans-57.1-48176.4-178.9-90.1000111.8M18 R66 V67 L68 V72 L73 Y74 Y119 L135 R139 L175M18-Y70 HydrophobicContact CE-CG 4.31Å; R66-Y70 WeakPolarHBondContact O-CB 3.37Å; R66-Y70 PolarHBondContact O-N 3.32Å; V67-Y70 WeakPolarHBondContact O-CB 3.4Å; V67-Y70 PolarHBondContact O-N 2.94Å; L68-Y70 PolarHBondContact O-N 3.32Å; Y70-V72 PolarHBondContact O-N 3.12Å; Y70-L73 PolarHBondContact O-N 3.05Å; Y70-Y74 WeakPolarHBondContact O-CB 3.47Å; Y70-Y74 PolarHBondContact O-N 2.93Å; Y70-Y119 WeakPolarHBondContact CA-OH 3.44Å; Y70-Y119 WeakPolarHBondContact CB-OH 3.47Å; Y70-Y119 PolarHBondContact N-OH 3.09Å; Y70-Y119 VanDerWaalsContact N-OH 3.12Å; Y70-L135 HydrophobicContact CD1-CD2 4.01Å; Y70-L135 HydrophobicContact CD2-CD2 4.27Å; Y70-L135 HydrophobicContact CE1-CD2 3.72Å; Y70-L135 HydrophobicContact CE2-CD1 4.08Å; Y70-L135 HydrophobicContact CE2-CD2 3.97Å; Y70-L135 HydrophobicContact CG-CD2 4.26Å; Y70-R139 HydrophobicContact CE1-CG 4.46Å; Y70-R139 VanDerWaalsContact OH-CZ 3.22Å; Y70-R139 PolarHBondContact OH-NE 2.88Å; Y70-R139 PolarHBondContact OH-NH2 3.1Å; Y70-L175 HydrophobicContact CD2-CD1 4.27Å; Y70-L175 HydrophobicContact CD2-CD2 3.74Å; Y70-L175 HydrophobicContact CE2-CD1 3.97Å; Y70-L175 HydrophobicContact CE2-CD2 3.83Å
71L98.5Very high96.9Very high0 Ų020.3 Ų20.30%09%0.089CC..Hα-helixtrans-63.6-41.7179.8-69.8174.1000111.7I41 I42 A45 V67 L68 V69 L73 Y74 I75 L138 L142I41-L71 HydrophobicContact CG1-CD1 4.03Å; I41-L71 HydrophobicContact CG2-CD1 4.22Å; I42-L71 HydrophobicContact CG1-CD1 4.25Å; A45-L71 HydrophobicContact CB-CB 3.63Å; A45-L71 HydrophobicContact CB-CD1 3.76Å; A45-L71 HydrophobicContact CB-CG 4.36Å; V67-L71 HydrophobicContact CG1-CD1 4.13Å; V67-L71 HydrophobicContact CG1-CG 4.41Å; V67-L71 WeakPolarHBondContact O-CG 3.48Å; V67-L71 PolarHBondContact O-N 3.24Å; L68-L71 PolarHBondContact O-N 3.28Å; V69-L71 VanDerWaalsContact C-N 3.35Å; V69-L71 PolarHBondContact O-N 2.97Å; L71-L73 VanDerWaalsContact C-N 3.33Å; L71-L73 PolarHBondContact O-N 2.96Å; L71-Y74 PolarHBondContact O-N 3.49Å; L71-Y74 VanDerWaalsContact O-N 3.17Å; L71-I75 VanDerWaalsContact O-CG1 3.26Å; L71-I75 WeakPolarHBondContact O-CG1 3.25Å; L71-I75 PolarHBondContact O-N 3.16Å; L71-L138 HydrophobicContact CD1-CD2 4.45Å; L71-L138 HydrophobicContact CD2-CB 4.13Å; L71-L138 HydrophobicContact CD2-CD2 4.25Å; L71-L142 HydrophobicContact CD2-CB 4.47Å; L71-L142 HydrophobicContact CD2-CD1 4.35Å; L71-L142 HydrophobicContact CD2-CD2 4.47Å
72V97.7Very high97Very high0 Ų014.1 Ų14.10%06%0.062CC..Hα-helixtrans-60.4-42.7175.9171.80000111.5F49 L52 L68 V69 Y70 I75 L76 F170F49-V72 HydrophobicContact CD2-CG1 4.04Å; F49-V72 HydrophobicContact CE2-CG1 4.3Å; L52-V72 HydrophobicContact CB-CG2 4.42Å; L52-V72 HydrophobicContact CD1-CG2 3.85Å; L68-V72 HydrophobicContact CD1-CG2 4.39Å; L68-V72 WeakPolarHBondContact O-CG2 3.18Å; L68-V72 PolarHBondContact O-N 3.49Å; V69-V72 PolarHBondContact O-N 3.31Å; Y70-V72 PolarHBondContact O-N 3.12Å; V72-I75 PolarHBondContact O-N 3.17Å; V72-L76 PolarHBondContact O-N 3Å; V72-F170 HydrophobicContact CB-CD1 4.03Å; V72-F170 HydrophobicContact CB-CE1 4.04Å; V72-F170 HydrophobicContact CG1-CB 4.16Å; V72-F170 HydrophobicContact CG1-CD1 3.43Å; V72-F170 VanDerWaalsContact CG1-CD1 3.43Å; V72-F170 HydrophobicContact CG1-CD2 4.36Å; V72-F170 HydrophobicContact CG1-CE1 3.8Å; V72-F170 HydrophobicContact CG1-CG 3.75Å; V72-F170 HydrophobicContact CG1-CZ 4.42Å
73L96.3Very high96.9Very high3 Ų317.2 Ų17.22%0.0168%0.075CC..Hα-helixtrans-64.4-41.3174.8-64.5170.7000111.6V69 Y70 L71 L76 E77 L115 F170 Q173 L175V69-L73 HydrophobicContact CG1-CD1 4.17Å; V69-L73 WeakPolarHBondContact O-CG 3.19Å; V69-L73 PolarHBondContact O-N 2.72Å; Y70-L73 PolarHBondContact O-N 3.05Å; L71-L73 VanDerWaalsContact C-N 3.33Å; L71-L73 PolarHBondContact O-N 2.96Å; L73-L76 WeakPolarHBondContact O-CB 3.36Å; L73-L76 PolarHBondContact O-N 3.04Å; L73-E77 PolarHBondContact O-N 2.92Å; L73-L115 HydrophobicContact CD1-CD1 4.2Å; L73-L115 HydrophobicContact CD1-CD2 4.15Å; L73-F170 HydrophobicContact CD2-CB 4.2Å; L73-F170 HydrophobicContact CD2-CD1 3.86Å; L73-F170 HydrophobicContact CG-CD1 4.14Å; L73-Q173 HydrophobicContact CD1-CB 4.38Å; L73-Q173 HydrophobicContact CD2-CB 3.89Å; L73-L175 HydrophobicContact CB-CD1 4.05Å; L73-L175 HydrophobicContact CB-CD2 4Å; L73-L175 HydrophobicContact CB-CG 3.72Å; L73-L175 HydrophobicContact CD1-CD2 3.85Å; L73-L175 HydrophobicContact CD1-CG 4.39Å
74Y97.7Very high96.6Very high0 Ų022.3 Ų22.30%09%0.091CC..Hα-helixtrans-68.9-34.1178.5-170-118.9000112.8Y70 L71 L76 E77 C78 M98 A99 R139 L142 L175Y70-Y74 WeakPolarHBondContact O-CB 3.47Å; Y70-Y74 PolarHBondContact O-N 2.93Å; L71-Y74 PolarHBondContact O-N 3.49Å; L71-Y74 VanDerWaalsContact O-N 3.17Å; Y74-L76 VanDerWaalsContact C-N 3.28Å; Y74-L76 PolarHBondContact O-N 2.93Å; Y74-E77 PolarHBondContact O-N 3.47Å; Y74-C78 VanDerWaalsContact CE1-SG 3.58Å; Y74-C78 PolarHBondContact O-N 3.03Å; Y74-C78 PolarHBondContact O-SG 2.79Å; Y74-M98 HydrophobicContact CE2-CE 3.63Å; Y74-M98 WeakPolarHBondContact OH-CE 3.49Å; Y74-A99 WeakPolarHBondContact OH-CA 3.41Å; Y74-R139 HydrophobicContact CD1-CB 4.17Å; Y74-R139 HydrophobicContact CD1-CG 3.77Å; Y74-R139 HydrophobicContact CD2-CG 4.07Å; Y74-R139 HydrophobicContact CE1-CB 3.49Å; Y74-R139 VanDerWaalsContact CE1-CB 3.49Å; Y74-R139 HydrophobicContact CE1-CG 3.5Å; Y74-R139 WeakPolarHBondContact CE1-O 3.27Å; Y74-R139 HydrophobicContact CE2-CB 4.33Å; Y74-R139 HydrophobicContact CE2-CG 3.73Å; Y74-R139 HydrophobicContact CG-CG 4.1Å; Y74-R139 VanDerWaalsContact CZ-CG 3.46Å; Y74-L142 HydrophobicContact CD1-CD2 3.35Å; Y74-L142 HydrophobicContact CE1-CD2 3.99Å; Y74-L142 HydrophobicContact CG-CD2 4.29Å; Y74-L175 HydrophobicContact CD2-CD1 4.14Å; Y74-L175 HydrophobicContact CG-CD1 4.39Å
75I98.2Very high96.5Very high0 Ų022.7 Ų22.70%09%0.093CC..Hα-helixtrans-57.3-43.4170.4-67.6165.6000109.8A45 L46 F49 L71 V72 E77 C78 L79 L142 L146 W162A45-I75 HydrophobicContact CB-CD1 4.45Å; L46-I75 HydrophobicContact CD2-CD1 3.94Å; L46-I75 HydrophobicContact CD2-CG1 4.3Å; F49-I75 HydrophobicContact CB-CD1 4Å; F49-I75 HydrophobicContact CD1-CG2 4.19Å; F49-I75 HydrophobicContact CD2-CB 3.79Å; F49-I75 HydrophobicContact CD2-CD1 3.76Å; F49-I75 HydrophobicContact CD2-CG1 4.38Å; F49-I75 HydrophobicContact CD2-CG2 3.52Å; F49-I75 HydrophobicContact CE1-CG2 4.07Å; F49-I75 HydrophobicContact CE2-CB 3.76Å; F49-I75 HydrophobicContact CE2-CG2 3.38Å; F49-I75 HydrophobicContact CG-CD1 4.07Å; F49-I75 HydrophobicContact CG-CG2 3.93Å; F49-I75 HydrophobicContact CZ-CG2 3.67Å; L71-I75 VanDerWaalsContact O-CG1 3.26Å; L71-I75 WeakPolarHBondContact O-CG1 3.25Å; L71-I75 PolarHBondContact O-N 3.16Å; V72-I75 PolarHBondContact O-N 3.17Å; I75-E77 VanDerWaalsContact C-N 3.34Å; I75-E77 PolarHBondContact O-N 3.21Å; I75-C78 WeakPolarHBondContact O-CB 3.37Å; I75-C78 PolarHBondContact O-N 2.57Å; I75-L79 HydrophobicContact CG2-CD1 3.84Å; I75-L79 HydrophobicContact CG2-CG 4.15Å; I75-L79 VanDerWaalsContact O-CG 3.26Å; I75-L79 WeakPolarHBondContact O-CG 3.4Å; I75-L79 PolarHBondContact O-N 3.28Å; I75-L142 HydrophobicContact CD1-CD1 4.12Å; I75-L142 HydrophobicContact CG1-CD1 3.87Å; I75-L142 HydrophobicContact CG1-CD2 3.67Å; I75-L142 HydrophobicContact CG1-CG 4.25Å; I75-L146 HydrophobicContact CG2-CD1 4.25Å; I75-L146 HydrophobicContact CG2-CD2 4.32Å; I75-W162 HydrophobicContact CG2-CZ3 4.4Å
76L96.4Very high96.1Very high0 Ų027.1 Ų27.10%012%0.122CC..Hα-helixtrans-61.1-42.2178-73.1168.9000112.7F49 I53 V72 L73 Y74 L79 R80 F165 F170F49-L76 HydrophobicContact CE2-CD2 4.14Å; F49-L76 HydrophobicContact CE2-CG 4.09Å; F49-L76 HydrophobicContact CZ-CD2 3.9Å; F49-L76 HydrophobicContact CZ-CG 4.35Å; I53-L76 HydrophobicContact CD1-CD1 3.52Å; I53-L76 HydrophobicContact CD1-CD2 3.4Å; I53-L76 VanDerWaalsContact CD1-CD2 3.4Å; I53-L76 HydrophobicContact CD1-CG 3.8Å; I53-L76 HydrophobicContact CG1-CD2 4.14Å; V72-L76 PolarHBondContact O-N 3Å; L73-L76 WeakPolarHBondContact O-CB 3.36Å; L73-L76 PolarHBondContact O-N 3.04Å; Y74-L76 VanDerWaalsContact C-N 3.28Å; Y74-L76 PolarHBondContact O-N 2.93Å; L76-L79 PolarHBondContact O-N 3.39Å; L76-R80 WeakPolarHBondContact O-CG 3.13Å; L76-R80 PolarHBondContact O-N 2.94Å; L76-F165 WeakPolarHBondContact CD2-O 3.48Å; L76-F170 HydrophobicContact CD1-CB 3.94Å
77E95.2Very high95.9Very high13 Ų1327.6 Ų27.66%0.06113%0.128CC..Hα-helixtrans-64.2-43.6177.1-69.6-174.4175.800111.6L73 Y74 I75 L79 R80 K81 L175 T176L73-E77 PolarHBondContact O-N 2.92Å; Y74-E77 PolarHBondContact O-N 3.47Å; I75-E77 VanDerWaalsContact C-N 3.34Å; I75-E77 PolarHBondContact O-N 3.21Å; E77-L79 VanDerWaalsContact C-N 3.34Å; E77-L79 PolarHBondContact O-N 3.05Å; E77-R80 PolarHBondContact O-N 3.1Å; E77-K81 PolarHBondContact O-N 3.48Å; E77-L175 WeakPolarHBondContact OE1-CA 3.47Å; E77-L175 WeakPolarHBondContact OE1-CB 3.47Å; E77-L175 PolarHBondContact OE1-N 2.95Å; E77-T176 PolarHBondContact OE1-N 3.17Å; E77-T176 PolarHBondContact OE1-OG1 2.67Å
78C97.2Very high95.8Very high0 Ų030.5 Ų30.50%014%0.139CC..Hα-helixtrans-57.1-48.1172.5-63.90000111.1Y74 I75 R80 K81 L82 L95 M98 L146Y74-C78 VanDerWaalsContact CE1-SG 3.58Å; Y74-C78 PolarHBondContact O-N 3.03Å; Y74-C78 PolarHBondContact O-SG 2.79Å; I75-C78 WeakPolarHBondContact O-CB 3.37Å; I75-C78 PolarHBondContact O-N 2.57Å; C78-R80 PolarHBondContact O-N 2.87Å; C78-K81 WeakPolarHBondContact O-CB 3.41Å; C78-K81 PolarHBondContact O-N 3.47Å; C78-K81 VanDerWaalsContact O-N 3.15Å; C78-L82 WeakPolarHBondContact O-CB 3.19Å; C78-L82 VanDerWaalsContact O-CG 3.27Å; C78-L82 WeakPolarHBondContact O-CG 3.45Å; C78-L82 PolarHBondContact O-N 2.93Å; C78-L95 HydrophobicContact CB-CD1 4.27Å; C78-L95 HydrophobicContact CB-CD2 3.77Å; C78-M98 HydrophobicContact CB-CE 4.17Å; C78-M98 WeakPolarHBondContact SG-CE 3.3Å; C78-L146 HydrophobicContact CB-CD2 3.35Å
79L96.9Very high95.7Very high0 Ų035 Ų350%017%0.166CC..Hα-helixtrans-63.6-38.8-179.8-68.1174.3000112.4F49 I75 L76 E77 K81 L82 Q83 L146 V150 W162 L163 F165F49-L79 HydrophobicContact CE1-CD1 3.74Å; F49-L79 HydrophobicContact CZ-CD1 3.59Å; I75-L79 HydrophobicContact CG2-CD1 3.84Å; I75-L79 HydrophobicContact CG2-CG 4.15Å; I75-L79 VanDerWaalsContact O-CG 3.26Å; I75-L79 WeakPolarHBondContact O-CG 3.4Å; I75-L79 PolarHBondContact O-N 3.28Å; L76-L79 PolarHBondContact O-N 3.39Å; E77-L79 VanDerWaalsContact C-N 3.34Å; E77-L79 PolarHBondContact O-N 3.05Å; L79-K81 VanDerWaalsContact C-N 3.33Å; L79-L82 PolarHBondContact O-N 3.26Å; L79-Q83 WeakPolarHBondContact O-CG 3.37Å; L79-Q83 PolarHBondContact O-N 2.94Å; L79-Q83 VanDerWaalsContact O-N 3.12Å; L79-L146 HydrophobicContact CD2-CD2 4.47Å; L79-V150 HydrophobicContact CD2-CG2 3.86Å; L79-W162 HydrophobicContact CD1-CE3 4.17Å; L79-W162 HydrophobicContact CD2-CB 3.99Å; L79-W162 HydrophobicContact CD2-CE3 4.17Å; L79-L163 HydrophobicContact CD2-CD2 4.5Å; L79-F165 HydrophobicContact CD1-CB 4.05Å
80R94.8Very high95.6Very high51 Ų5136.4 Ų36.419%0.19218%0.177CC..Hα-helixtrans-60.4-43.6172.5-74.9177.9-144.7137.14.1111.7L76 E77 C78 Q83 G166 S174L76-R80 WeakPolarHBondContact O-CG 3.13Å; L76-R80 PolarHBondContact O-N 2.94Å; E77-R80 PolarHBondContact O-N 3.1Å; C78-R80 PolarHBondContact O-N 2.87Å; R80-Q83 WeakPolarHBondContact O-CB 3.47Å; R80-Q83 PolarHBondContact O-N 2.94Å; R80-G166 WeakPolarHBondContact CG-O 3.46Å; R80-G166 PolarHBondContact NE-O 3.07Å; R80-S174 PolarHBondContact NH1-OG 3.44Å
81K94.5Very high95.6Very high78 Ų7836.1 Ų36.134%0.33918%0.176SC..Hα-helixtrans-65.1-44.5178.5-16870.7176179.50111.3E77 C78 L79 Q83 R84 C85 E94 L95 M98E77-K81 PolarHBondContact O-N 3.48Å; C78-K81 WeakPolarHBondContact O-CB 3.41Å; C78-K81 PolarHBondContact O-N 3.47Å; C78-K81 VanDerWaalsContact O-N 3.15Å; L79-K81 VanDerWaalsContact C-N 3.33Å; K81-Q83 PolarHBondContact O-N 2.97Å; K81-R84 PolarHBondContact O-N 3.37Å; K81-R84 VanDerWaalsContact O-N 3.14Å; K81-C85 PolarHBondContact O-SG 3.24Å; K81-E94 WeakPolarHBondContact CE-OE2 3.29Å; K81-E94 HydrophobicContact CG-CB 4.1Å; K81-E94 IonicContact NZ-OE2 2.74Å; K81-E94 PolarHBondContact NZ-OE2 3.44Å; K81-L95 HydrophobicContact CB-CD2 4.34Å; K81-L95 HydrophobicContact CG-CD2 4.49Å; K81-M98 HydrophobicContact CB-SD 4.14Å; K81-M98 HydrophobicContact CG-SD 4.26Å
82L96.1Very high95.5Very high0 Ų037.8 Ų37.80%019%0.189CC..Hα-helixtrans-65.6-21.9179.2-69.9-179.5000113.7C78 L79 R84 C85 G91 L95 L147 V150 Y151 L163C78-L82 WeakPolarHBondContact O-CB 3.19Å; C78-L82 VanDerWaalsContact O-CG 3.27Å; C78-L82 WeakPolarHBondContact O-CG 3.45Å; C78-L82 PolarHBondContact O-N 2.93Å; L79-L82 PolarHBondContact O-N 3.26Å; L82-R84 PolarHBondContact O-N 2.93Å; L82-R84 VanDerWaalsContact O-N 3.14Å; L82-C85 HydrophobicContact CD2-CB 4.33Å; L82-C85 PolarHBondContact O-N 3.47Å; L82-G91 VanDerWaalsContact CD2-CA 3.46Å; L82-L95 HydrophobicContact CD1-CD1 4.07Å; L82-L95 HydrophobicContact CD2-CD1 4.07Å; L82-L95 HydrophobicContact CD2-CD2 4.33Å; L82-L95 HydrophobicContact CD2-CG 3.99Å; L82-L95 HydrophobicContact CG-CD1 4.19Å; L82-L95 HydrophobicContact CG-CD2 4.26Å; L82-L95 HydrophobicContact CG-CG 4.33Å; L82-L147 HydrophobicContact CD2-CD2 4.07Å; L82-V150 HydrophobicContact CD1-CB 4.21Å; L82-V150 HydrophobicContact CD1-CG1 4.06Å; L82-V150 HydrophobicContact CD1-CG2 3.92Å; L82-Y151 HydrophobicContact CD1-CE2 4.46Å; L82-Y151 HydrophobicContact CD2-CE2 4.11Å; L82-L163 HydrophobicContact CB-CD2 3.98Å
83Q93.7Very high95.5Very high80 Ų8045.3 Ų45.337%0.37422%0.222SC..THydrogen-bonded Turntrans-58.9-24.2172.6-75.7176.2-12.200113.1L79 R80 K81 L163L79-Q83 WeakPolarHBondContact O-CG 3.37Å; L79-Q83 PolarHBondContact O-N 2.94Å; L79-Q83 VanDerWaalsContact O-N 3.12Å; R80-Q83 WeakPolarHBondContact O-CB 3.47Å; R80-Q83 PolarHBondContact O-N 2.94Å; K81-Q83 PolarHBondContact O-N 2.97Å; Q83-L163 HydrophobicContact CG-CB 4.36Å; Q83-L163 HydrophobicContact CG-CD1 4.41Å; Q83-L163 HydrophobicContact CG-CD2 4.14Å; Q83-L163 PolarHBondContact NE2-O 3.29Å
84R92.6Very high95.5Very high189 Ų18948.3 Ų48.371%0.71324%0.236SC*.THydrogen-bonded Turntrans-94.90.7178-56.5-177.2-175.5177.62.9113K81 L82K81-R84 PolarHBondContact O-N 3.37Å; K81-R84 VanDerWaalsContact O-N 3.14Å; L82-R84 PolarHBondContact O-N 2.93Å; L82-R84 VanDerWaalsContact O-N 3.14Å
85C94Very high95.6Very high9 Ų948.5 Ų48.56%0.06124%0.237CC..  trans-106.4116.1-172.9-62.20000111.4K81 L82 N87 Y151K81-C85 PolarHBondContact O-SG 3.24Å; L82-C85 HydrophobicContact CD2-CB 4.33Å; L82-C85 PolarHBondContact O-N 3.47Å; C85-N87 PolarHBondContact O-N 3.43Å; C85-Y151 PolarHBondContact O-OH 3.25Å
86P90.3Very high95.6Very high92 Ų9251.2 Ų51.260%0.59726%0.259SS*.SBendtrans-70.7-28-174.626.6-35.8000114.5S90P86-S90 VanDerWaalsContact CD-OG 3.28Å; P86-S90 WeakPolarHBondContact CD-OG 3.43Å
87N93.5Very high95.6Very high58 Ų5853.7 Ų53.731%0.3128%0.28SS..SBendtrans-147.2169.6-174.360.146000112.3C85 T89 S90 G91 Y151C85-N87 PolarHBondContact O-N 3.43Å; N87-T89 VanDerWaalsContact C-N 3.31Å; N87-T89 PolarHBondContact O-N 3.42Å; N87-T89 PolarHBondContact OD1-N 2.87Å; N87-S90 PolarHBondContact N-OG 2.82Å; N87-S90 PolarHBondContact O-N 3.3Å; N87-S90 PolarHBondContact O-OG 3.48Å; N87-S90 WeakPolarHBondContact OD1-CB 3.46Å; N87-S90 PolarHBondContact OD1-N 3.47Å; N87-S90 PolarHBondContact OD1-OG 3.41Å; N87-G91 PolarHBondContact O-N 2.89Å; N87-Y151 VanDerWaalsContact C-CE1 3.4Å; N87-Y151 PolarHBondContact O-OH 3.5Å
88R96.2Very high95.7Very high61 Ų6154.5 Ų54.523%0.2328%0.284CS..Hα-helixtrans-60.3-39.6-175.4-169.6169.4171.8-77.6-2.9112.4G91 A92 L147 D148 Y151 D154R88-G91 PolarHBondContact O-N 2.96Å; R88-A92 WeakPolarHBondContact O-CB 3.38Å; R88-A92 PolarHBondContact O-N 2.97Å; R88-L147 HydrophobicContact CG-CB 4.47Å; R88-D148 IonicContact CZ-OD1 3.24Å; R88-D148 IonicContact NE-OD1 2.67Å; R88-D148 PolarHBondContact NE-OD1 2.93Å; R88-D148 IonicContact NH2-OD1 2.85Å; R88-D148 PolarHBondContact NH2-OD1 2.99Å; R88-Y151 HydrophobicContact CB-CD1 4.02Å; R88-Y151 HydrophobicContact CB-CD2 4.01Å; R88-Y151 HydrophobicContact CB-CG 3.72Å; R88-Y151 HydrophobicContact CG-CD2 3.96Å; R88-Y151 HydrophobicContact CG-CG 4.01Å; R88-D154 VanDerWaalsContact CD-OD1 3.25Å; R88-D154 WeakPolarHBondContact CD-OD1 3.27Å; R88-D154 IonicContact CZ-OD1 3.72Å; R88-D154 IonicContact NE-OD1 3.84Å; R88-D154 IonicContact NH1-OD1 2.88Å; R88-D154 PolarHBondContact NH1-OD1 3.36Å
89T95.5Very high95.8Very high93 Ų9354.5 Ų54.557%0.57128%0.284SS*.Hα-helixtrans-60.8-47.2179.3-530000111.9N87 A92 K93N87-T89 VanDerWaalsContact C-N 3.31Å; N87-T89 PolarHBondContact O-N 3.42Å; N87-T89 PolarHBondContact OD1-N 2.87Å; T89-A92 PolarHBondContact O-N 3.33Å; T89-K93 PolarHBondContact O-N 2.97Å; T89-K93 VanDerWaalsContact O-N 3.14Å
90S94.7Very high95.8Very high32 Ų3259.7 Ų59.722%0.22431%0.311CS..Hα-helixtrans-62.9-43.8175.363.50000111.8P86 N87 A92 K93 E94P86-S90 VanDerWaalsContact CD-OG 3.28Å; P86-S90 WeakPolarHBondContact CD-OG 3.43Å; N87-S90 PolarHBondContact N-OG 2.82Å; N87-S90 PolarHBondContact O-N 3.3Å; N87-S90 PolarHBondContact O-OG 3.48Å; N87-S90 WeakPolarHBondContact OD1-CB 3.46Å; N87-S90 PolarHBondContact OD1-N 3.47Å; N87-S90 PolarHBondContact OD1-OG 3.41Å; S90-A92 PolarHBondContact O-N 3.34Å; S90-K93 PolarHBondContact O-N 3.45Å; S90-E94 WeakPolarHBondContact O-CG 3.46Å; S90-E94 PolarHBondContact O-N 3.27Å
91G96.7Very high95.8Very high0 Ų059.9 Ų59.90%032%0.32CS..Hα-helixtrans-61.1-42.8176.100000112.8L82 N87 R88 K93 E94 L95L82-G91 VanDerWaalsContact CD2-CA 3.46Å; N87-G91 PolarHBondContact O-N 2.89Å; R88-G91 PolarHBondContact O-N 2.96Å; G91-K93 PolarHBondContact O-N 3.37Å; G91-E94 PolarHBondContact O-N 2.98Å; G91-L95 WeakPolarHBondContact O-CB 3.2Å; G91-L95 WeakPolarHBondContact O-CG 3.44Å; G91-L95 PolarHBondContact O-N 3.44Å
92A97.4Very high95.8Very high34 Ų3464.6 Ų64.628%0.28134%0.335SS..Hα-helixtrans-60.6-44.4178.100000111.9R88 T89 S90 A96 L147R88-A92 WeakPolarHBondContact O-CB 3.38Å; R88-A92 PolarHBondContact O-N 2.97Å; T89-A92 PolarHBondContact O-N 3.33Å; S90-A92 PolarHBondContact O-N 3.34Å; A92-A96 WeakPolarHBondContact O-CB 3.49Å; A92-A96 PolarHBondContact O-N 2.76Å; A92-L147 HydrophobicContact CB-CD1 3.71Å
93K97.4Very high95.8Very high158 Ų15865.5 Ų65.569%0.68734%0.34SS*.Hα-helixtrans-62-47.5176.5-173.9-178.3177.9-1760111.6T89 S90 G91 A97T89-K93 PolarHBondContact O-N 2.97Å; T89-K93 VanDerWaalsContact O-N 3.14Å; S90-K93 PolarHBondContact O-N 3.45Å; G91-K93 PolarHBondContact O-N 3.37Å; K93-A97 WeakPolarHBondContact O-CB 3.13Å; K93-A97 PolarHBondContact O-N 3.35Å
94E97.4Very high95.8Very high67 Ų6762.9 Ų62.931%0.31333%0.328SS..Hα-helixtrans-67.4-41.5-178.4-70.7-60.4139.900112.5K81 S90 G91 A97 M98K81-E94 WeakPolarHBondContact CE-OE2 3.29Å; K81-E94 HydrophobicContact CG-CB 4.1Å; K81-E94 IonicContact NZ-OE2 2.74Å; K81-E94 PolarHBondContact NZ-OE2 3.44Å; S90-E94 WeakPolarHBondContact O-CG 3.46Å; S90-E94 PolarHBondContact O-N 3.27Å; G91-E94 PolarHBondContact O-N 2.98Å; E94-A97 PolarHBondContact O-N 2.8Å; E94-M98 VanDerWaalsContact O-CB 3.3Å; E94-M98 WeakPolarHBondContact O-CB 3.35Å; E94-M98 PolarHBondContact O-N 2.9Å
95L98.1Very high96Very high3 Ų353.9 Ų53.92%0.01629%0.294CS..Hα-helixtrans-70-38.2177.2-66.5-166.8000112.1C78 K81 L82 G91 A97 M98 A99 L147C78-L95 HydrophobicContact CB-CD1 4.27Å; C78-L95 HydrophobicContact CB-CD2 3.77Å; K81-L95 HydrophobicContact CB-CD2 4.34Å; K81-L95 HydrophobicContact CG-CD2 4.49Å; L82-L95 HydrophobicContact CD1-CD1 4.07Å; L82-L95 HydrophobicContact CD2-CD1 4.07Å; L82-L95 HydrophobicContact CD2-CD2 4.33Å; L82-L95 HydrophobicContact CD2-CG 3.99Å; L82-L95 HydrophobicContact CG-CD1 4.19Å; L82-L95 HydrophobicContact CG-CD2 4.26Å; L82-L95 HydrophobicContact CG-CG 4.33Å; G91-L95 WeakPolarHBondContact O-CB 3.2Å; G91-L95 WeakPolarHBondContact O-CG 3.44Å; G91-L95 PolarHBondContact O-N 3.44Å; L95-A97 VanDerWaalsContact C-N 3.33Å; L95-A97 PolarHBondContact O-N 3.17Å; L95-M98 HydrophobicContact CD2-CE 3.76Å; L95-M98 PolarHBondContact O-N 3.43Å; L95-A99 WeakPolarHBondContact O-CB 3.45Å; L95-A99 PolarHBondContact O-N 2.86Å; L95-L147 HydrophobicContact CD1-CD2 4.01Å; L95-L147 HydrophobicContact CD1-CG 4.07Å
96A98.2Very high96Very high58 Ų5853.6 Ų53.648%0.47929%0.292SS..Hα-helixtrans-61.2-43.1174.300000111.5A92 A99A92-A96 WeakPolarHBondContact O-CB 3.49Å; A92-A96 PolarHBondContact O-N 2.76Å; A96-A99 PolarHBondContact O-N 3.19Å
97A98Very high96.1Very high52 Ų5251.8 Ų51.843%0.4329%0.29SS..Hα-helixtrans-64.6-43.3175.200000112.1K93 E94 L95 A99 I100 S101K93-A97 WeakPolarHBondContact O-CB 3.13Å; K93-A97 PolarHBondContact O-N 3.35Å; E94-A97 PolarHBondContact O-N 2.8Å; L95-A97 VanDerWaalsContact C-N 3.33Å; L95-A97 PolarHBondContact O-N 3.17Å; A97-A99 VanDerWaalsContact C-N 3.33Å; A97-A99 PolarHBondContact O-N 3.28Å; A97-I100 WeakPolarHBondContact O-CG1 3.26Å; A97-I100 PolarHBondContact O-N 3.28Å; A97-S101 WeakPolarHBondContact O-CB 3.35Å; A97-S101 PolarHBondContact O-N 3.11Å
98M97.3Very high96.2Very high29 Ų2950.1 Ų50.114%0.14328%0.281CS..Hα-helixtrans-68-30.3179.5-169.5-179.277.400113.2Y74 C78 K81 E94 L95 I100 S101Y74-M98 HydrophobicContact CE2-CE 3.63Å; Y74-M98 WeakPolarHBondContact OH-CE 3.49Å; C78-M98 HydrophobicContact CB-CE 4.17Å; C78-M98 WeakPolarHBondContact SG-CE 3.3Å; K81-M98 HydrophobicContact CB-SD 4.14Å; K81-M98 HydrophobicContact CG-SD 4.26Å; E94-M98 VanDerWaalsContact O-CB 3.3Å; E94-M98 WeakPolarHBondContact O-CB 3.35Å; E94-M98 PolarHBondContact O-N 2.9Å; L95-M98 HydrophobicContact CD2-CE 3.76Å; L95-M98 PolarHBondContact O-N 3.43Å; M98-I100 VanDerWaalsContact C-N 3.31Å; M98-I100 PolarHBondContact O-N 2.89Å; M98-S101 PolarHBondContact O-OG 3.27Å
99A97.8Very high95.9Very high1 Ų153 Ų531%0.00831%0.307CS..Hα-helixtrans-68.2-31.317900000112.9Y74 L95 A96 A97 R139 Q140Y74-A99 WeakPolarHBondContact OH-CA 3.41Å; L95-A99 WeakPolarHBondContact O-CB 3.45Å; L95-A99 PolarHBondContact O-N 2.86Å; A96-A99 PolarHBondContact O-N 3.19Å; A97-A99 VanDerWaalsContact C-N 3.33Å; A97-A99 PolarHBondContact O-N 3.28Å; A99-R139 HydrophobicContact CB-CB 3.92Å; A99-Q140 HydrophobicContact CB-CB 4.34Å; A99-Q140 HydrophobicContact CB-CG 3.65Å
100I96.9Very high95.7Very high109 Ų10952.7 Ų52.756%0.55930%0.303SS*.Hα-helixtrans-103.4-11.6-178.667.2176.1000113.9A97 M98 T136 Q140A97-I100 WeakPolarHBondContact O-CG1 3.26Å; A97-I100 PolarHBondContact O-N 3.28Å; M98-I100 VanDerWaalsContact C-N 3.31Å; M98-I100 PolarHBondContact O-N 2.89Å; I100-T136 HydrophobicContact CG2-CG2 4.42Å; I100-Q140 HydrophobicContact CG2-CG 4.33Å
101S96.1Very high95.7Very high55 Ų5551.6 Ų51.639%0.38529%0.294SS..SBendtrans-61.1150176.2610000110.8A97 M98 F103A97-S101 WeakPolarHBondContact O-CB 3.35Å; A97-S101 PolarHBondContact O-N 3.11Å; M98-S101 PolarHBondContact O-OG 3.27Å; S101-F103 WeakPolarHBondContact O-CD1 3.49Å; S101-F103 PolarHBondContact O-N 2.98Å
102R94.1Very high95.4Very high176 Ų17652 Ų5266%0.66430%0.297SS*.  trans-49.6129.4175.4-179.6-177.3177.9-90.1-14.1110.2D104R102-D104 IonicContact CZ-OD1 3.48Å; R102-D104 IonicContact NH1-OD1 3.6Å; R102-D104 IonicContact NH2-OD1 2.84Å; R102-D104 PolarHBondContact NH2-OD1 2.9Å
103F95.2Very high95.1Very high20 Ų2060.3 Ų60.39%0.08832%0.32CS..  trans-136.6154.817162.4-91.4000109.9S101 I105 R132 L135 T136 R139S101-F103 WeakPolarHBondContact O-CD1 3.49Å; S101-F103 PolarHBondContact O-N 2.98Å; F103-I105 HydrophobicContact CD2-CG2 3.85Å; F103-I105 HydrophobicContact CE2-CG2 3.49Å; F103-I105 VanDerWaalsContact CE2-CG2 3.49Å; F103-R132 PolarHBondContact O-NH1 2.85Å; F103-L135 HydrophobicContact CE2-CB 3.71Å; F103-L135 HydrophobicContact CE2-CD1 3.89Å; F103-L135 HydrophobicContact CE2-CG 4.47Å; F103-L135 HydrophobicContact CZ-CB 3.69Å; F103-T136 WeakPolarHBondContact CE1-OG1 3.43Å; F103-R139 VanDerWaalsContact CD1-CZ 3.48Å
104D94.8Very high94.7Very high24 Ų2458 Ų5813%0.12831%0.312CS..  trans-88.1142.9-180-58.2-72.2000110.6R102 D108 D110 F111R102-D104 IonicContact CZ-OD1 3.48Å; R102-D104 IonicContact NH1-OD1 3.6Å; R102-D104 IonicContact NH2-OD1 2.84Å; R102-D104 PolarHBondContact NH2-OD1 2.9Å; D104-D108 VanDerWaalsContact CA-OD2 3.27Å; D104-D108 WeakPolarHBondContact CA-OD2 3.48Å; D104-D108 HydrophobicContact CB-CB 3.86Å; D104-D110 WeakPolarHBondContact OD2-CB 3.36Å; D104-F111 HydrophobicContact CB-CB 4.11Å; D104-F111 HydrophobicContact CB-CD2 4.49Å; D104-F111 WeakPolarHBondContact O-CD2 3.47Å
105I95.8Very high94.5Very high0 Ų054.8 Ų54.80%030%0.297CS..  trans-117.1164.2175.961.2163.6000110F103 G107 D108 F111 P122 M128 M131 R132 L135F103-I105 HydrophobicContact CD2-CG2 3.85Å; F103-I105 HydrophobicContact CE2-CG2 3.49Å; F103-I105 VanDerWaalsContact CE2-CG2 3.49Å; I105-G107 PolarHBondContact O-N 2.99Å; I105-G107 VanDerWaalsContact O-N 3.11Å; I105-D108 WeakPolarHBondContact CG1-OD2 3.25Å; I105-D108 PolarHBondContact N-OD2 3.18Å; I105-D108 VanDerWaalsContact O-CB 3.32Å; I105-D108 WeakPolarHBondContact O-CB 3.48Å; I105-D108 PolarHBondContact O-N 3.34Å; I105-F111 WeakPolarHBondContact O-CB 3.07Å; I105-P122 HydrophobicContact CD1-CG 4.15Å; I105-M128 HydrophobicContact CD1-CG 3.59Å; I105-M131 HydrophobicContact CB-SD 4.28Å; I105-M131 HydrophobicContact CD1-CB 4.42Å; I105-M131 HydrophobicContact CD1-SD 4.28Å; I105-R132 HydrophobicContact CD1-CG 3.66Å; I105-R132 HydrophobicContact CG1-CG 4.32Å; I105-R132 HydrophobicContact CG2-CG 4.06Å; I105-L135 HydrophobicContact CG2-CD1 3.71Å
106P95.4Very high94Very high4 Ų458.3 Ų58.33%0.02632%0.316CS..THydrogen-bonded Turntrans-49.4121.3178.2-28.334.6000112.4F111 Y119 K121 P122 M131P106-F111 HydrophobicContact CB-CE1 4.34Å; P106-F111 HydrophobicContact CB-CZ 4.47Å; P106-F111 HydrophobicContact CG-CE1 4.06Å; P106-F111 HydrophobicContact CG-CE2 4.05Å; P106-F111 HydrophobicContact CG-CZ 3.72Å; P106-Y119 HydrophobicContact CG-CG 4.15Å; P106-K121 WeakPolarHBondContact O-CA 3.34Å; P106-P122 WeakPolarHBondContact O-CD 3.14Å; P106-M131 HydrophobicContact CG-SD 4.23Å
107G92.3Very high93.7Very high53 Ų5363.1 Ų63.155%0.54633%0.334SS..THydrogen-bonded Turntrans101.2-13.4-175.900000115.2I105I105-G107 PolarHBondContact O-N 2.99Å; I105-G107 VanDerWaalsContact O-N 3.11Å
108D94.4Very high93.5Very high24 Ų2462.3 Ų62.313%0.12832%0.321CS..SBendtrans-71.6149.4169.5-73.5-24.1000111.4D104 I105 D110 F111 R132D104-D108 VanDerWaalsContact CA-OD2 3.27Å; D104-D108 WeakPolarHBondContact CA-OD2 3.48Å; D104-D108 HydrophobicContact CB-CB 3.86Å; I105-D108 WeakPolarHBondContact CG1-OD2 3.25Å; I105-D108 PolarHBondContact N-OD2 3.18Å; I105-D108 VanDerWaalsContact O-CB 3.32Å; I105-D108 WeakPolarHBondContact O-CB 3.48Å; I105-D108 PolarHBondContact O-N 3.34Å; D108-D110 VanDerWaalsContact C-N 3.27Å; D108-D110 PolarHBondContact O-N 2.8Å; D108-F111 HydrophobicContact CB-CB 4.38Å; D108-F111 WeakPolarHBondContact O-CB 3.4Å; D108-F111 PolarHBondContact O-N 3.45Å; D108-R132 IonicContact OD1-NH2 2.78Å; D108-R132 PolarHBondContact OD1-NH2 3.47Å; D108-R132 IonicContact OD2-CZ 3.38Å; D108-R132 IonicContact OD2-NH1 3.19Å; D108-R132 PolarHBondContact OD2-NH1 2.67Å; D108-R132 IonicContact OD2-NH2 2.79Å; D108-R132 PolarHBondContact OD2-NH2 3.46Å
109P91.1Very high93.5Very high120 Ų12061.3 Ų61.378%0.77932%0.316SS*.THydrogen-bonded Turntrans-57.5-36.4-178.5-25.834.6000114.5
110D91.5Very high93.4Very high88 Ų8863.1 Ų63.147%0.47133%0.331SS..THydrogen-bonded Turntrans-996.3-175.4-60.2-45.7000112.9D104 D108D104-D110 WeakPolarHBondContact OD2-CB 3.36Å; D108-D110 VanDerWaalsContact C-N 3.27Å; D108-D110 PolarHBondContact O-N 2.8Å
111F93.4Very high93.3Very high9 Ų965.2 Ų65.24%0.03934%0.336CS..SBendtrans-64131.6173.3-173.7-102.6000109.9D104 I105 P106 D108 R113 L115 N116 Y119D104-F111 HydrophobicContact CB-CB 4.11Å; D104-F111 HydrophobicContact CB-CD2 4.49Å; D104-F111 WeakPolarHBondContact O-CD2 3.47Å; I105-F111 WeakPolarHBondContact O-CB 3.07Å; P106-F111 HydrophobicContact CB-CE1 4.34Å; P106-F111 HydrophobicContact CB-CZ 4.47Å; P106-F111 HydrophobicContact CG-CE1 4.06Å; P106-F111 HydrophobicContact CG-CE2 4.05Å; P106-F111 HydrophobicContact CG-CZ 3.72Å; D108-F111 HydrophobicContact CB-CB 4.38Å; D108-F111 WeakPolarHBondContact O-CB 3.4Å; D108-F111 PolarHBondContact O-N 3.45Å; F111-R113 PolarHBondContact O-N 3.3Å; F111-R113 VanDerWaalsContact O-N 3.14Å; F111-L115 HydrophobicContact CD1-CB 4.48Å; F111-L115 HydrophobicContact CE1-CB 3.53Å; F111-L115 HydrophobicContact CZ-CB 3.72Å; F111-L115 HydrophobicContact CZ-CD1 4.13Å; F111-N116 WeakPolarHBondContact CD1-OD1 3.31Å; F111-Y119 HydrophobicContact CZ-CD2 4.08Å; F111-Y119 HydrophobicContact CZ-CG 4.41Å
112P92Very high93.4Very high9 Ų963.1 Ų63.16%0.05832%0.321CS..  trans-52.2121.5-176-28.634.6000112.3E114 L115 S174 L175P112-E114 PolarHBondContact O-N 3.42Å; P112-L115 HydrophobicContact CB-CB 4.45Å; P112-L115 HydrophobicContact CB-CD1 4.06Å; P112-L115 HydrophobicContact CB-CG 4.09Å; P112-L115 HydrophobicContact CG-CD1 4.19Å; P112-L115 WeakPolarHBondContact O-CB 3.37Å; P112-L115 PolarHBondContact O-N 3.28Å; P112-S174 VanDerWaalsContact CG-O 3.31Å; P112-S174 WeakPolarHBondContact CG-O 3.28Å; P112-L175 WeakPolarHBondContact CG-O 3.3Å
113R89.3Confident93.4Very high207 Ų20763.1 Ų63.178%0.78133%0.326SS*.G310 helixtrans-61.7-32.2-172-69.8-175.1177-165.7-0.1112.1F111 L115 N116F111-R113 PolarHBondContact O-N 3.3Å; F111-R113 VanDerWaalsContact O-N 3.14Å; R113-L115 PolarHBondContact O-N 3.2Å; R113-N116 WeakPolarHBondContact O-CB 3.32Å; R113-N116 PolarHBondContact O-N 3.38Å
114E89Confident93.5Very high109 Ų10966.5 Ų66.551%0.50935%0.345SS..G310 helixtrans-67.6-22.1179.9-55.584.6178.700112.4P112P112-E114 PolarHBondContact O-N 3.42Å
115L93Very high93.6Very high0 Ų069 Ų690%037%0.369CS..G310 helixtrans-89.2-12.5176.4-62.7-176.7000113.2L73 F111 P112 R113 N117 M118 Y119 Q173 L175L73-L115 HydrophobicContact CD1-CD1 4.2Å; L73-L115 HydrophobicContact CD1-CD2 4.15Å; F111-L115 HydrophobicContact CD1-CB 4.48Å; F111-L115 HydrophobicContact CE1-CB 3.53Å; F111-L115 HydrophobicContact CZ-CB 3.72Å; F111-L115 HydrophobicContact CZ-CD1 4.13Å; P112-L115 HydrophobicContact CB-CB 4.45Å; P112-L115 HydrophobicContact CB-CD1 4.06Å; P112-L115 HydrophobicContact CB-CG 4.09Å; P112-L115 HydrophobicContact CG-CD1 4.19Å; P112-L115 WeakPolarHBondContact O-CB 3.37Å; P112-L115 PolarHBondContact O-N 3.28Å; R113-L115 PolarHBondContact O-N 3.2Å; L115-N117 PolarHBondContact O-N 3.35Å; L115-M118 HydrophobicContact CD2-SD 4.02Å; L115-M118 WeakPolarHBondContact O-CB 3.37Å; L115-M118 PolarHBondContact O-N 3.33Å; L115-Y119 HydrophobicContact CB-CD2 4.07Å; L115-Y119 HydrophobicContact CB-CE2 4.33Å; L115-Y119 HydrophobicContact CD2-CE2 4.33Å; L115-Y119 WeakPolarHBondContact O-CD2 3.48Å; L115-Y119 PolarHBondContact O-N 3.18Å; L115-Y119 VanDerWaalsContact O-N 3.16Å; L115-Q173 HydrophobicContact CD2-CB 3.95Å; L115-Q173 HydrophobicContact CD2-CG 3.88Å; L115-L175 HydrophobicContact CD1-CD2 3.91Å
116N89.4Confident93.6Very high77 Ų7774.1 Ų74.141%0.41240%0.4SS..THydrogen-bonded Turntrans-60.3-29.3-177.3-79.5-30.8000113.8F111 R113 M118F111-N116 WeakPolarHBondContact CD1-OD1 3.31Å; R113-N116 WeakPolarHBondContact O-CB 3.32Å; R113-N116 PolarHBondContact O-N 3.38Å; N116-M118 VanDerWaalsContact C-N 3.26Å; N116-M118 PolarHBondContact O-N 2.77Å
117N90.6Very high93.7Very high160 Ų16075.2 Ų75.286%0.85641%0.405SS*.THydrogen-bonded Turntrans-76.3-16.1177.3-67.5-20.4000112.8L115L115-N117 PolarHBondContact O-N 3.35Å
118M94.4Very high93.9Very high34 Ų3476.2 Ų76.217%0.16740%0.397CS..THydrogen-bonded Turntrans-96.2-35.7-177.3-61.7179.2-163.400111.9N17 L60 R66 L115 N116 M171N17-M118 PolarHBondContact ND2-O 2.83Å; L60-M118 HydrophobicContact CD1-CB 3.88Å; L60-M118 HydrophobicContact CD1-CG 4.01Å; R66-M118 WeakPolarHBondContact CD-O 3.31Å; R66-M118 PolarHBondContact NE-O 3.24Å; L115-M118 HydrophobicContact CD2-SD 4.02Å; L115-M118 WeakPolarHBondContact O-CB 3.37Å; L115-M118 PolarHBondContact O-N 3.33Å; N116-M118 VanDerWaalsContact C-N 3.26Å; N116-M118 PolarHBondContact O-N 2.77Å; M118-M171 HydrophobicContact CE-CE 3.38Å; M118-M171 HydrophobicContact SD-CE 3.89Å
119Y96.8Very high94Very high8 Ų881.3 Ų81.33%0.03142%0.42CS..SBendtrans-117129.6-172.7-61-87.9000112.2N17 M18 R66 V69 Y70 P106 F111 L115N17-Y119 WeakPolarHBondContact OD1-CA 3.49Å; M18-Y119 HydrophobicContact CE-CD1 4.41Å; M18-Y119 HydrophobicContact CE-CE1 3.91Å; M18-Y119 HydrophobicContact CG-CD1 3.78Å; M18-Y119 HydrophobicContact CG-CE1 4.06Å; M18-Y119 HydrophobicContact SD-CD1 3.64Å; M18-Y119 HydrophobicContact SD-CE1 3.76Å; R66-Y119 HydrophobicContact CB-CD1 4.44Å; R66-Y119 HydrophobicContact CB-CE1 3.94Å; R66-Y119 PolarHBondContact O-OH 2.93Å; V69-Y119 WeakPolarHBondContact CG1-OH 3.34Å; Y70-Y119 WeakPolarHBondContact CA-OH 3.44Å; Y70-Y119 WeakPolarHBondContact CB-OH 3.47Å; Y70-Y119 PolarHBondContact N-OH 3.09Å; Y70-Y119 VanDerWaalsContact N-OH 3.12Å; P106-Y119 HydrophobicContact CG-CG 4.15Å; F111-Y119 HydrophobicContact CZ-CD2 4.08Å; F111-Y119 HydrophobicContact CZ-CG 4.41Å; L115-Y119 HydrophobicContact CB-CD2 4.07Å; L115-Y119 HydrophobicContact CB-CE2 4.33Å; L115-Y119 HydrophobicContact CD2-CE2 4.33Å; L115-Y119 WeakPolarHBondContact O-CD2 3.48Å; L115-Y119 PolarHBondContact O-N 3.18Å; L115-Y119 VanDerWaalsContact O-N 3.16Å
120A96.2Very high94.3Very high39 Ų3977.7 Ų77.732%0.32240%0.396SS..PPolyproline II helixtrans-82.4135.617700000110.4N17N17-A120 HydrophobicContact CB-CB 3.81Å; N17-A120 PolarHBondContact ND2-N 2.74Å; N17-A120 PolarHBondContact OD1-N 3.49Å
121K95.4Very high94.6Very high153 Ų15373.6 Ų73.667%0.66537%0.374SS*.PPolyproline II helixtrans-60.1144.3170.869.1178.8-176.3178.60111P106P106-K121 WeakPolarHBondContact O-CA 3.34Å
122P96.3Very high94.8Very high12 Ų1276.1 Ų76.18%0.07838%0.383CS..PPolyproline II helixtrans-54.9143.6167.2-21.531.1000111.6I105 P106 E127 M128 M131I105-P122 HydrophobicContact CD1-CG 4.15Å; P106-P122 WeakPolarHBondContact O-CD 3.14Å; P122-E127 HydrophobicContact CB-CB 4.03Å; P122-E127 HydrophobicContact CB-CG 4.07Å; P122-M128 HydrophobicContact CB-CB 3.92Å; P122-M128 HydrophobicContact CG-CB 4.07Å; P122-M128 HydrophobicContact CG-CG 4.33Å; P122-M131 HydrophobicContact CG-CB 4.34Å; P122-M131 HydrophobicContact CG-CE 3.93Å; P122-M131 HydrophobicContact CG-SD 3.8Å
123K95.6Very high95.1Very high176 Ų17676.5 Ų76.577%0.76539%0.388SS*.SBendtrans-76.8-28.9-177.4-61.5170.1-175.21730112.6E127K123-E127 WeakPolarHBondContact CB-OE2 3.33Å; K123-E127 VanDerWaalsContact CG-OE2 3.24Å; K123-E127 WeakPolarHBondContact CG-OE2 3.48Å; K123-E127 PolarHBondContact N-OE2 2.95Å
124N96.7Very high95.6Very high90 Ų9066.7 Ų66.748%0.48135%0.351SS..SBendtrans-151.9173.6-177.259.550000111.4T126 E127 M128N124-T126 VanDerWaalsContact C-N 3.29Å; N124-T126 PolarHBondContact O-N 2.98Å; N124-T126 WeakPolarHBondContact OD1-CB 3.48Å; N124-T126 PolarHBondContact OD1-N 3.32Å; N124-E127 PolarHBondContact O-N 3.3Å; N124-E127 PolarHBondContact OD1-N 2.81Å; N124-M128 WeakPolarHBondContact O-CB 3.48Å; N124-M128 PolarHBondContact O-N 2.95Å
125A96.1Very high96Very high77 Ų7761.6 Ų61.664%0.63633%0.328SS*.Hα-helixtrans-60.3-35.7-178.200000113.3M128 E129A125-M128 WeakPolarHBondContact O-CB 3.4Å; A125-M128 PolarHBondContact O-N 2.72Å; A125-E129 PolarHBondContact O-N 3.38Å
126T96.8Very high96.3Very high107 Ų10763.3 Ų63.366%0.65634%0.338SS*.Hα-helixtrans-65.7-46.4177.8-52.80000111.5N124 M128 E129 T130N124-T126 VanDerWaalsContact C-N 3.29Å; N124-T126 PolarHBondContact O-N 2.98Å; N124-T126 WeakPolarHBondContact OD1-CB 3.48Å; N124-T126 PolarHBondContact OD1-N 3.32Å; T126-M128 VanDerWaalsContact C-N 3.27Å; T126-M128 PolarHBondContact O-N 2.9Å; T126-E129 PolarHBondContact O-N 2.98Å; T126-T130 WeakPolarHBondContact O-CB 3.34Å; T126-T130 PolarHBondContact O-N 3.1Å; T126-T130 PolarHBondContact O-OG1 2.95Å
127E96.9Very high96.7Very high28 Ų2859.6 Ų59.613%0.13132%0.318CS..Hα-helixtrans-65.8-34176.6-167.8175.8-157.800111.3I15 G16 P122 K123 N124 T130 M131I15-E127 HydrophobicContact CG2-CG 3.68Å; G16-E127 WeakPolarHBondContact CA-OE1 3.41Å; G16-E127 PolarHBondContact N-OE1 3.49Å; P122-E127 HydrophobicContact CB-CB 4.03Å; P122-E127 HydrophobicContact CB-CG 4.07Å; K123-E127 WeakPolarHBondContact CB-OE2 3.33Å; K123-E127 VanDerWaalsContact CG-OE2 3.24Å; K123-E127 WeakPolarHBondContact CG-OE2 3.48Å; K123-E127 PolarHBondContact N-OE2 2.95Å; N124-E127 PolarHBondContact O-N 3.3Å; N124-E127 PolarHBondContact OD1-N 2.81Å; E127-T130 PolarHBondContact O-N 2.96Å; E127-M131 WeakPolarHBondContact O-CB 3.21Å; E127-M131 PolarHBondContact O-N 3.29Å
128M97Very high97.1Very high74 Ų7452 Ų5237%0.36528%0.278SS..Hα-helixtrans-62-49.2174.5-172.8-173.2-71.700111.7I105 P122 N124 A125 T126 T130 M131 R132I105-M128 HydrophobicContact CD1-CG 3.59Å; P122-M128 HydrophobicContact CB-CB 3.92Å; P122-M128 HydrophobicContact CG-CB 4.07Å; P122-M128 HydrophobicContact CG-CG 4.33Å; N124-M128 WeakPolarHBondContact O-CB 3.48Å; N124-M128 PolarHBondContact O-N 2.95Å; A125-M128 WeakPolarHBondContact O-CB 3.4Å; A125-M128 PolarHBondContact O-N 2.72Å; T126-M128 VanDerWaalsContact C-N 3.27Å; T126-M128 PolarHBondContact O-N 2.9Å; M128-T130 VanDerWaalsContact C-N 3.32Å; M128-T130 PolarHBondContact O-N 3.2Å; M128-M131 PolarHBondContact O-N 3.22Å; M128-R132 WeakPolarHBondContact O-CG 3.44Å; M128-R132 PolarHBondContact O-N 2.87Å
129E97.1Very high97.3Very high131 Ų13150.8 Ų50.861%0.61227%0.271SS*.Hα-helixtrans-63.1-41.6177.1-17456.2-150.700111.3A125 T126 M131 R132 G133A125-E129 PolarHBondContact O-N 3.38Å; T126-E129 PolarHBondContact O-N 2.98Å; E129-M131 VanDerWaalsContact C-N 3.35Å; E129-M131 PolarHBondContact O-N 3.39Å; E129-R132 PolarHBondContact O-N 3.24Å; E129-G133 PolarHBondContact O-N 3.11Å
130T97.6Very high97.4Very high44 Ų4452.5 Ų52.527%0.2728%0.279SS..Hα-helixtrans-62.4-42.5176.2-49.40000111.1I15 P30 T126 E127 M128 G133 Y134I15-T130 HydrophobicContact CD1-CG2 3.52Å; I15-T130 HydrophobicContact CG1-CG2 4.14Å; P30-T130 HydrophobicContact CB-CG2 3.7Å; P30-T130 HydrophobicContact CG-CG2 3.99Å; P30-T130 WeakPolarHBondContact CG-O 3.26Å; T126-T130 WeakPolarHBondContact O-CB 3.34Å; T126-T130 PolarHBondContact O-N 3.1Å; T126-T130 PolarHBondContact O-OG1 2.95Å; E127-T130 PolarHBondContact O-N 2.96Å; M128-T130 VanDerWaalsContact C-N 3.32Å; M128-T130 PolarHBondContact O-N 3.2Å; T130-G133 PolarHBondContact O-N 3.2Å; T130-Y134 WeakPolarHBondContact O-CB 3.4Å; T130-Y134 PolarHBondContact O-N 3.11Å
131M98Very high97.5Very high2 Ų251.7 Ų51.71%0.0127%0.269CS..Hα-helixtrans-63.2-46.9176.8-171.9176.9-7700111.3I15 I105 P106 P122 E127 M128 E129 G133 Y134 L135I15-M131 HydrophobicContact CG2-CB 3.68Å; I15-M131 HydrophobicContact CG2-CE 3.99Å; I15-M131 HydrophobicContact CG2-CG 4.29Å; I105-M131 HydrophobicContact CB-SD 4.28Å; I105-M131 HydrophobicContact CD1-CB 4.42Å; I105-M131 HydrophobicContact CD1-SD 4.28Å; P106-M131 HydrophobicContact CG-SD 4.23Å; P122-M131 HydrophobicContact CG-CB 4.34Å; P122-M131 HydrophobicContact CG-CE 3.93Å; P122-M131 HydrophobicContact CG-SD 3.8Å; E127-M131 WeakPolarHBondContact O-CB 3.21Å; E127-M131 PolarHBondContact O-N 3.29Å; M128-M131 PolarHBondContact O-N 3.22Å; E129-M131 VanDerWaalsContact C-N 3.35Å; E129-M131 PolarHBondContact O-N 3.39Å; M131-G133 PolarHBondContact O-N 2.97Å; M131-Y134 PolarHBondContact O-N 3.3Å; M131-L135 HydrophobicContact CG-CD1 4.02Å; M131-L135 HydrophobicContact CG-CG 4.35Å; M131-L135 WeakPolarHBondContact O-CB 3.38Å; M131-L135 VanDerWaalsContact O-CG 3.29Å; M131-L135 WeakPolarHBondContact O-CG 3.47Å; M131-L135 PolarHBondContact O-N 3.43Å
132R97.8Very high97.7Very high61 Ų6144.4 Ų44.423%0.2324%0.237CC..Hα-helixtrans-60.1-45.3176.6-71.4-170.2-173.7-75.90111.8F103 I105 D108 M128 E129 Y134 T136F103-R132 PolarHBondContact O-NH1 2.85Å; I105-R132 HydrophobicContact CD1-CG 3.66Å; I105-R132 HydrophobicContact CG1-CG 4.32Å; I105-R132 HydrophobicContact CG2-CG 4.06Å; D108-R132 IonicContact OD1-NH2 2.78Å; D108-R132 PolarHBondContact OD1-NH2 3.47Å; D108-R132 IonicContact OD2-CZ 3.38Å; D108-R132 IonicContact OD2-NH1 3.19Å; D108-R132 PolarHBondContact OD2-NH1 2.67Å; D108-R132 IonicContact OD2-NH2 2.79Å; D108-R132 PolarHBondContact OD2-NH2 3.46Å; M128-R132 WeakPolarHBondContact O-CG 3.44Å; M128-R132 PolarHBondContact O-N 2.87Å; E129-R132 PolarHBondContact O-N 3.24Å; R132-Y134 PolarHBondContact O-N 2.87Å; R132-T136 WeakPolarHBondContact O-CB 3.26Å; R132-T136 PolarHBondContact O-N 3.42Å; R132-T136 PolarHBondContact O-OG1 2.9Å
133G98Very high97.8Very high17 Ų1744 Ų4418%0.17524%0.235CC..Hα-helixtrans-60-45.3176.700000112.2E129 T130 M131 T136 Q137E129-G133 PolarHBondContact O-N 3.11Å; T130-G133 PolarHBondContact O-N 3.2Å; M131-G133 PolarHBondContact O-N 2.97Å; G133-T136 PolarHBondContact O-N 3.04Å; G133-Q137 WeakPolarHBondContact O-CB 3.2Å; G133-Q137 PolarHBondContact O-N 3.14Å
134Y98.3Very high97.9Very high1 Ų138.6 Ų38.60%0.00422%0.217CC..Hα-helixtrans-65.1-47-179.9177.6-130.4000112I15 A19 L20 L21 L23 P30 A31 V67 T130 M131 R132 T136 Q137 L138I15-Y134 HydrophobicContact CD1-CD1 4.24Å; I15-Y134 HydrophobicContact CD1-CG 4.3Å; A19-Y134 VanDerWaalsContact O-CE1 3.23Å; A19-Y134 WeakPolarHBondContact O-CE1 3.47Å; A19-Y134 PolarHBondContact O-OH 3.38Å; L20-Y134 HydrophobicContact CD1-CD1 4.15Å; L20-Y134 HydrophobicContact CD1-CD2 3.54Å; L20-Y134 HydrophobicContact CD1-CE1 4.29Å; L20-Y134 HydrophobicContact CD1-CE2 3.72Å; L20-Y134 HydrophobicContact CD1-CG 3.77Å; L21-Y134 PolarHBondContact N-OH 3Å; L21-Y134 VanDerWaalsContact N-OH 3.14Å; L23-Y134 HydrophobicContact CD1-CE2 4.39Å; P30-Y134 VanDerWaalsContact CD-N 3.34Å; A31-Y134 HydrophobicContact CB-CD2 3.82Å; A31-Y134 HydrophobicContact CB-CE2 3.75Å; V67-Y134 HydrophobicContact CG2-CE1 4.47Å; T130-Y134 WeakPolarHBondContact O-CB 3.4Å; T130-Y134 PolarHBondContact O-N 3.11Å; M131-Y134 PolarHBondContact O-N 3.3Å; R132-Y134 PolarHBondContact O-N 2.87Å; Y134-T136 VanDerWaalsContact C-N 3.32Å; Y134-T136 PolarHBondContact O-N 3.43Å; Y134-Q137 PolarHBondContact O-N 2.93Å; Y134-L138 HydrophobicContact CD1-CD1 4.05Å; Y134-L138 HydrophobicContact CD2-CD1 4.28Å; Y134-L138 HydrophobicContact CD2-CG 4.24Å; Y134-L138 HydrophobicContact CE1-CD1 3.69Å; Y134-L138 HydrophobicContact CE2-CD1 3.92Å; Y134-L138 HydrophobicContact CE2-CD2 4.2Å; Y134-L138 HydrophobicContact CE2-CG 3.9Å; Y134-L138 HydrophobicContact CG-CD1 4.35Å; Y134-L138 WeakPolarHBondContact O-CG 3.32Å; Y134-L138 PolarHBondContact O-N 3.29Å
135L98.4Very high98Very high3 Ų335.4 Ų35.42%0.01620%0.198CC..Hα-helixtrans-63.7-37.9176.9-66.3-179.4000111.6M18 Y70 F103 I105 M131 L138 R139M18-L135 HydrophobicContact CE-CD2 3.78Å; M18-L135 HydrophobicContact SD-CD2 4.2Å; Y70-L135 HydrophobicContact CD1-CD2 4.01Å; Y70-L135 HydrophobicContact CD2-CD2 4.27Å; Y70-L135 HydrophobicContact CE1-CD2 3.72Å; Y70-L135 HydrophobicContact CE2-CD1 4.08Å; Y70-L135 HydrophobicContact CE2-CD2 3.97Å; Y70-L135 HydrophobicContact CG-CD2 4.26Å; F103-L135 HydrophobicContact CE2-CB 3.71Å; F103-L135 HydrophobicContact CE2-CD1 3.89Å; F103-L135 HydrophobicContact CE2-CG 4.47Å; F103-L135 HydrophobicContact CZ-CB 3.69Å; I105-L135 HydrophobicContact CG2-CD1 3.71Å; M131-L135 HydrophobicContact CG-CD1 4.02Å; M131-L135 HydrophobicContact CG-CG 4.35Å; M131-L135 WeakPolarHBondContact O-CB 3.38Å; M131-L135 VanDerWaalsContact O-CG 3.29Å; M131-L135 WeakPolarHBondContact O-CG 3.47Å; M131-L135 PolarHBondContact O-N 3.43Å; L135-L138 HydrophobicContact CD2-CD1 4.14Å; L135-L138 PolarHBondContact O-N 3.46Å; L135-R139 WeakPolarHBondContact O-CB 3.39Å; L135-R139 WeakPolarHBondContact O-CG 3.3Å; L135-R139 PolarHBondContact O-N 3.19Å
136T98.5Very high98.1Very high35 Ų3531.7 Ų31.722%0.21517%0.168CC..Hα-helixtrans-61.9-45.4174.1-57.20000111.3I100 F103 R132 G133 Y134 R139 Q140I100-T136 HydrophobicContact CG2-CG2 4.42Å; F103-T136 WeakPolarHBondContact CE1-OG1 3.43Å; R132-T136 WeakPolarHBondContact O-CB 3.26Å; R132-T136 PolarHBondContact O-N 3.42Å; R132-T136 PolarHBondContact O-OG1 2.9Å; G133-T136 PolarHBondContact O-N 3.04Å; Y134-T136 VanDerWaalsContact C-N 3.32Å; Y134-T136 PolarHBondContact O-N 3.43Å; T136-R139 PolarHBondContact O-N 3.14Å; T136-Q140 HydrophobicContact CG2-CG 4.48Å; T136-Q140 WeakPolarHBondContact O-CG 2.96Å; T136-Q140 PolarHBondContact O-N 3.21Å
137Q98.5Very high98.1Very high0 Ų026.9 Ų26.90%014%0.138CC..Hα-helixtrans-63.1-44.6178.7-167.6-178.918.400111.9L23 T25 F27 G29 G133 Y134 R139 Q140 E141L23-Q137 HydrophobicContact CD1-CG 4.4Å; T25-Q137 HydrophobicContact CG2-CG 4.12Å; F27-Q137 HydrophobicContact CB-CG 4.25Å; F27-Q137 PolarHBondContact O-NE2 3.07Å; G29-Q137 VanDerWaalsContact CA-CD 3.46Å; G29-Q137 VanDerWaalsContact CA-OE1 3.3Å; G133-Q137 WeakPolarHBondContact O-CB 3.2Å; G133-Q137 PolarHBondContact O-N 3.14Å; Y134-Q137 PolarHBondContact O-N 2.93Å; Q137-R139 PolarHBondContact O-N 3.01Å; Q137-Q140 PolarHBondContact O-N 2.82Å; Q137-E141 PolarHBondContact O-N 2.87Å; Q137-E141 VanDerWaalsContact O-N 3.1Å
138L98.8Very high98Very high0 Ų030 Ų300%016%0.156CC..Hα-helixtrans-57.4-47173-77.4171.1000111.7L23 I41 I42 V67 L71 Y134 L135 L142L23-L138 HydrophobicContact CD1-CD2 3.7Å; L23-L138 HydrophobicContact CD1-CG 4.25Å; L23-L138 HydrophobicContact CD2-CD2 3.92Å; L23-L138 HydrophobicContact CG-CD2 4.42Å; I41-L138 HydrophobicContact CG2-CD2 4.2Å; I42-L138 HydrophobicContact CD1-CD2 4.2Å; I42-L138 HydrophobicContact CG1-CD2 4.12Å; V67-L138 HydrophobicContact CG1-CD1 3.97Å; V67-L138 HydrophobicContact CG1-CD2 4.43Å; L71-L138 HydrophobicContact CD1-CD2 4.45Å; L71-L138 HydrophobicContact CD2-CB 4.13Å; L71-L138 HydrophobicContact CD2-CD2 4.25Å; Y134-L138 HydrophobicContact CD1-CD1 4.05Å; Y134-L138 HydrophobicContact CD2-CD1 4.28Å; Y134-L138 HydrophobicContact CD2-CG 4.24Å; Y134-L138 HydrophobicContact CE1-CD1 3.69Å; Y134-L138 HydrophobicContact CE2-CD1 3.92Å; Y134-L138 HydrophobicContact CE2-CD2 4.2Å; Y134-L138 HydrophobicContact CE2-CG 3.9Å; Y134-L138 HydrophobicContact CG-CD1 4.35Å; Y134-L138 WeakPolarHBondContact O-CG 3.32Å; Y134-L138 PolarHBondContact O-N 3.29Å; L135-L138 HydrophobicContact CD2-CD1 4.14Å; L135-L138 PolarHBondContact O-N 3.46Å; L138-L142 WeakPolarHBondContact O-CB 3.22Å; L138-L142 PolarHBondContact O-N 3.14Å
139R98.8Very high98Very high9 Ų932.2 Ų32.23%0.03416%0.163CC..Hα-helixtrans-61.5-46.5-179.8-75.2175179.1-137.3-4.3112.2Y70 Y74 A99 F103 L135 T136 Q137 G143Y70-R139 HydrophobicContact CE1-CG 4.46Å; Y70-R139 VanDerWaalsContact OH-CZ 3.22Å; Y70-R139 PolarHBondContact OH-NE 2.88Å; Y70-R139 PolarHBondContact OH-NH2 3.1Å; Y74-R139 HydrophobicContact CD1-CB 4.17Å; Y74-R139 HydrophobicContact CD1-CG 3.77Å; Y74-R139 HydrophobicContact CD2-CG 4.07Å; Y74-R139 HydrophobicContact CE1-CB 3.49Å; Y74-R139 VanDerWaalsContact CE1-CB 3.49Å; Y74-R139 HydrophobicContact CE1-CG 3.5Å; Y74-R139 WeakPolarHBondContact CE1-O 3.27Å; Y74-R139 HydrophobicContact CE2-CB 4.33Å; Y74-R139 HydrophobicContact CE2-CG 3.73Å; Y74-R139 HydrophobicContact CG-CG 4.1Å; Y74-R139 VanDerWaalsContact CZ-CG 3.46Å; A99-R139 HydrophobicContact CB-CB 3.92Å; F103-R139 VanDerWaalsContact CD1-CZ 3.48Å; L135-R139 WeakPolarHBondContact O-CB 3.39Å; L135-R139 WeakPolarHBondContact O-CG 3.3Å; L135-R139 PolarHBondContact O-N 3.19Å; T136-R139 PolarHBondContact O-N 3.14Å; Q137-R139 PolarHBondContact O-N 3.01Å; R139-G143 PolarHBondContact O-N 2.74Å
140Q98.6Very high98Very high43 Ų4326 Ų2620%0.20114%0.135CC..Hα-helixtrans-62.1-51.3-179.7-73.3-179.5-43.500111.4F27 A99 I100 T136 Q137 G143 V144F27-Q140 HydrophobicContact CB-CB 4.33Å; F27-Q140 HydrophobicContact CD1-CB 3.84Å; F27-Q140 HydrophobicContact CD1-CG 4.29Å; F27-Q140 HydrophobicContact CD2-CB 3.69Å; F27-Q140 HydrophobicContact CE1-CB 4.03Å; F27-Q140 HydrophobicContact CE1-CG 4.49Å; F27-Q140 HydrophobicContact CE2-CB 3.9Å; F27-Q140 HydrophobicContact CG-CB 3.68Å; F27-Q140 HydrophobicContact CZ-CB 4.06Å; A99-Q140 HydrophobicContact CB-CB 4.34Å; A99-Q140 HydrophobicContact CB-CG 3.65Å; I100-Q140 HydrophobicContact CG2-CG 4.33Å; T136-Q140 HydrophobicContact CG2-CG 4.48Å; T136-Q140 WeakPolarHBondContact O-CG 2.96Å; T136-Q140 PolarHBondContact O-N 3.21Å; Q137-Q140 PolarHBondContact O-N 2.82Å; Q140-G143 PolarHBondContact O-N 3.25Å; Q140-V144 PolarHBondContact O-N 3.04Å
141E98.6Very high97.9Very high22 Ų2224.2 Ų24.210%0.10312%0.123CC..Hα-helixtrans-66.2-44.9-178.1-174.862.3-14700111.8T25 F27 I42 Q137 G143 V144 R145T25-E141 WeakPolarHBondContact CA-OE2 3.44Å; T25-E141 WeakPolarHBondContact CB-OE2 3.36Å; T25-E141 PolarHBondContact OG1-OE2 3.18Å; F27-E141 HydrophobicContact CD2-CB 4.1Å; F27-E141 WeakPolarHBondContact CD2-OE2 3.38Å; I42-E141 HydrophobicContact CD1-CB 3.62Å; I42-E141 HydrophobicContact CD1-CG 3.52Å; Q137-E141 PolarHBondContact O-N 2.87Å; Q137-E141 VanDerWaalsContact O-N 3.1Å; E141-G143 VanDerWaalsContact C-N 3.3Å; E141-G143 PolarHBondContact O-N 3.15Å; E141-V144 PolarHBondContact O-N 2.89Å; E141-R145 WeakPolarHBondContact O-CG 3.25Å; E141-R145 PolarHBondContact O-N 3.16Å; E141-R145 IonicContact OE1-CZ 3.89Å; E141-R145 IonicContact OE1-NE 3.71Å; E141-R145 PolarHBondContact OE1-NE 2.87Å; E141-R145 IonicContact OE1-NH2 3.68Å; E141-R145 PolarHBondContact OE1-NH2 3.3Å
142L98.8Very high97.6Very high0 Ų035.2 Ų35.20%016%0.164CC..Hα-helixtrans-58.9-44175.5-17993.2000111I42 L46 L71 Y74 I75 L138 V144 R145 L146I42-L142 HydrophobicContact CG2-CB 4.07Å; I42-L142 HydrophobicContact CG2-CD1 3.68Å; I42-L142 HydrophobicContact CG2-CG 4.41Å; L46-L142 HydrophobicContact CD1-CD1 4.46Å; L46-L142 HydrophobicContact CD2-CD1 4Å; L46-L142 HydrophobicContact CG-CD1 3.98Å; L71-L142 HydrophobicContact CD2-CB 4.47Å; L71-L142 HydrophobicContact CD2-CD1 4.35Å; L71-L142 HydrophobicContact CD2-CD2 4.47Å; Y74-L142 HydrophobicContact CD1-CD2 3.35Å; Y74-L142 HydrophobicContact CE1-CD2 3.99Å; Y74-L142 HydrophobicContact CG-CD2 4.29Å; I75-L142 HydrophobicContact CD1-CD1 4.12Å; I75-L142 HydrophobicContact CG1-CD1 3.87Å; I75-L142 HydrophobicContact CG1-CD2 3.67Å; I75-L142 HydrophobicContact CG1-CG 4.25Å; L138-L142 WeakPolarHBondContact O-CB 3.22Å; L138-L142 PolarHBondContact O-N 3.14Å; L142-V144 VanDerWaalsContact C-N 3.31Å; L142-V144 PolarHBondContact O-N 2.88Å; L142-R145 PolarHBondContact O-N 3.46Å; L142-L146 WeakPolarHBondContact O-CB 3.35Å; L142-L146 PolarHBondContact O-N 3.42Å
143G98.4Very high97.3Very high4 Ų436.2 Ų36.24%0.04117%0.174CC..Hα-helixtrans-56.5-45.3179.500000112R139 Q140 E141 L147R139-G143 PolarHBondContact O-N 2.74Å; Q140-G143 PolarHBondContact O-N 3.25Å; E141-G143 VanDerWaalsContact C-N 3.3Å; E141-G143 PolarHBondContact O-N 3.15Å; G143-L147 WeakPolarHBondContact O-CG 3.48Å; G143-L147 PolarHBondContact O-N 3.48Å
144V97.9Very high96.8Very high62 Ų6239.2 Ų39.238%0.37619%0.186SC..Hα-helixtrans-62.6-52.3176.2174.60000111.2F27 Q140 E141 L142 L146 L147F27-V144 HydrophobicContact CE2-CG2 3.83Å; F27-V144 HydrophobicContact CZ-CG2 3.79Å; Q140-V144 PolarHBondContact O-N 3.04Å; E141-V144 PolarHBondContact O-N 2.89Å; L142-V144 VanDerWaalsContact C-N 3.31Å; L142-V144 PolarHBondContact O-N 2.88Å; V144-L146 VanDerWaalsContact C-N 3.3Å; V144-L146 PolarHBondContact O-N 2.96Å; V144-L147 WeakPolarHBondContact O-CB 3.42Å; V144-L147 PolarHBondContact O-N 3.31Å
145R98.2Very high96.1Very high23 Ų2346.4 Ų46.49%0.08723%0.225CC..Hα-helixtrans-66-31.7-177.2-63.7-168.5-162.7168.516.7113.1R24 D40 D43 L46 E141 L142 L147 D148R24-R145 PolarHBondContact O-NH2 3.46Å; D40-R145 VanDerWaalsContact CG-NH1 3.32Å; D40-R145 IonicContact OD1-CZ 3.14Å; D40-R145 IonicContact OD1-NH1 2.72Å; D40-R145 PolarHBondContact OD1-NH1 2.93Å; D40-R145 IonicContact OD1-NH2 3.42Å; D40-R145 IonicContact OD2-CZ 3.49Å; D40-R145 IonicContact OD2-NH1 3.51Å; D40-R145 PolarHBondContact OD2-NH1 3.48Å; D40-R145 IonicContact OD2-NH2 2.83Å; D40-R145 PolarHBondContact OD2-NH2 2.88Å; D43-R145 IonicContact OD1-CZ 3.45Å; D43-R145 IonicContact OD1-NH1 3.35Å; D43-R145 PolarHBondContact OD1-NH1 2.85Å; D43-R145 IonicContact OD2-NH1 2.8Å; D43-R145 PolarHBondContact OD2-NH1 2.97Å; D43-R145 VanDerWaalsContact OD2-NH1 3.14Å; L46-R145 HydrophobicContact CD1-CB 3.78Å; E141-R145 WeakPolarHBondContact O-CG 3.25Å; E141-R145 PolarHBondContact O-N 3.16Å; E141-R145 IonicContact OE1-CZ 3.89Å; E141-R145 IonicContact OE1-NE 3.71Å; E141-R145 PolarHBondContact OE1-NE 2.87Å; E141-R145 IonicContact OE1-NH2 3.68Å; E141-R145 PolarHBondContact OE1-NH2 3.3Å; L142-R145 PolarHBondContact O-N 3.46Å; R145-L147 VanDerWaalsContact C-N 3.35Å; R145-D148 PolarHBondContact O-N 3.48Å
146L98.3Very high95.5Very high0 Ų047 Ų470%023%0.229CC..Hα-helixtrans-66.9-36.2176.7-179.363.8000111.6L46 I75 C78 L79 L142 V144 D148 K149 V150 W162L46-L146 HydrophobicContact CD2-CB 4.27Å; L46-L146 HydrophobicContact CD2-CD1 3.78Å; I75-L146 HydrophobicContact CG2-CD1 4.25Å; I75-L146 HydrophobicContact CG2-CD2 4.32Å; C78-L146 HydrophobicContact CB-CD2 3.35Å; L79-L146 HydrophobicContact CD2-CD2 4.47Å; L142-L146 WeakPolarHBondContact O-CB 3.35Å; L142-L146 PolarHBondContact O-N 3.42Å; V144-L146 VanDerWaalsContact C-N 3.3Å; V144-L146 PolarHBondContact O-N 2.96Å; L146-D148 PolarHBondContact O-N 3.46Å; L146-K149 WeakPolarHBondContact O-CA 3.36Å; L146-K149 WeakPolarHBondContact O-CB 3.44Å; L146-K149 PolarHBondContact O-N 3.2Å; L146-V150 HydrophobicContact CD1-CG2 3.98Å; L146-V150 HydrophobicContact CG-CG2 4.01Å; L146-V150 WeakPolarHBondContact O-CG2 3.18Å; L146-V150 PolarHBondContact O-N 3.41Å; L146-W162 HydrophobicContact CD1-CE3 4.09Å; L146-W162 HydrophobicContact CD1-CH2 4.4Å; L146-W162 HydrophobicContact CD1-CZ3 3.91Å
147L97.5Very high95.2Very high6 Ų650 Ų503%0.03125%0.249CC..Hα-helixtrans-58.2-38.9177.6-69.5161.3000111.6L82 R88 A92 L95 G143 V144 R145 K149 V150 Y151L82-L147 HydrophobicContact CD2-CD2 4.07Å; R88-L147 HydrophobicContact CG-CB 4.47Å; A92-L147 HydrophobicContact CB-CD1 3.71Å; L95-L147 HydrophobicContact CD1-CD2 4.01Å; L95-L147 HydrophobicContact CD1-CG 4.07Å; G143-L147 WeakPolarHBondContact O-CG 3.48Å; G143-L147 PolarHBondContact O-N 3.48Å; V144-L147 WeakPolarHBondContact O-CB 3.42Å; V144-L147 PolarHBondContact O-N 3.31Å; R145-L147 VanDerWaalsContact C-N 3.35Å; L147-K149 PolarHBondContact O-N 3.25Å; L147-V150 PolarHBondContact O-N 3.15Å; L147-Y151 HydrophobicContact CD2-CD2 3.9Å; L147-Y151 HydrophobicContact CD2-CE2 3.74Å; L147-Y151 WeakPolarHBondContact O-CB 3.33Å; L147-Y151 PolarHBondContact O-N 2.95Å
148D95.9Very high95Very high94 Ų9451.3 Ų51.350%0.50326%0.257SS..Hα-helixtrans-70.7-18.2178.6-59.4-21.7000112.7R88 R145 L146R88-D148 IonicContact CZ-OD1 3.24Å; R88-D148 IonicContact NE-OD1 2.67Å; R88-D148 PolarHBondContact NE-OD1 2.93Å; R88-D148 IonicContact NH2-OD1 2.85Å; R88-D148 PolarHBondContact NH2-OD1 2.99Å; R145-D148 PolarHBondContact O-N 3.48Å; L146-D148 PolarHBondContact O-N 3.46Å
149K96.3Very high94.9Very high119 Ų11953 Ų5352%0.51727%0.269SS..Hα-helixtrans-86.8-35.4171-57.7-60.1-175.5-174.50112.4L146 L147 W162L146-K149 WeakPolarHBondContact O-CA 3.36Å; L146-K149 WeakPolarHBondContact O-CB 3.44Å; L146-K149 PolarHBondContact O-N 3.2Å; L147-K149 PolarHBondContact O-N 3.25Å; K149-W162 HydrophobicContact CB-CH2 4.42Å; K149-W162 HydrophobicContact CB-CZ2 3.65Å; K149-W162 HydrophobicContact CG-CZ2 4.1Å; K149-W162 PolarHBondContact O-NE1 2.85Å; K149-W162 VanDerWaalsContact O-NE1 3.09Å
150V97Very high94.7Very high2 Ų259.5 Ų59.51%0.01230%0.298CS..Hα-helixtrans-82.6-38-175.8176.80000111.6L79 L82 L146 L147 P158 S159 W162 L163L79-V150 HydrophobicContact CD2-CG2 3.86Å; L82-V150 HydrophobicContact CD1-CB 4.21Å; L82-V150 HydrophobicContact CD1-CG1 4.06Å; L82-V150 HydrophobicContact CD1-CG2 3.92Å; L146-V150 HydrophobicContact CD1-CG2 3.98Å; L146-V150 HydrophobicContact CG-CG2 4.01Å; L146-V150 WeakPolarHBondContact O-CG2 3.18Å; L146-V150 PolarHBondContact O-N 3.41Å; L147-V150 PolarHBondContact O-N 3.15Å; V150-P158 HydrophobicContact CG1-CB 3.72Å; V150-S159 WeakPolarHBondContact O-CB 3.35Å; V150-S159 PolarHBondContact O-N 3.42Å; V150-W162 HydrophobicContact CG2-CB 3.93Å; V150-W162 HydrophobicContact CG2-CD2 4.45Å; V150-W162 HydrophobicContact CG2-CG 4.08Å; V150-L163 HydrophobicContact CG1-CD2 4.44Å
151Y96Very high94.5Very high5 Ų565.5 Ų65.52%0.0232%0.319CS..  trans-111.9132.7-177.5-63.8-83.6000110.1L82 C85 N87 R88 L147 S156 P158L82-Y151 HydrophobicContact CD1-CE2 4.46Å; L82-Y151 HydrophobicContact CD2-CE2 4.11Å; C85-Y151 PolarHBondContact O-OH 3.25Å; N87-Y151 VanDerWaalsContact C-CE1 3.4Å; N87-Y151 PolarHBondContact O-OH 3.5Å; R88-Y151 HydrophobicContact CB-CD1 4.02Å; R88-Y151 HydrophobicContact CB-CD2 4.01Å; R88-Y151 HydrophobicContact CB-CG 3.72Å; R88-Y151 HydrophobicContact CG-CD2 3.96Å; R88-Y151 HydrophobicContact CG-CG 4.01Å; L147-Y151 HydrophobicContact CD2-CD2 3.9Å; L147-Y151 HydrophobicContact CD2-CE2 3.74Å; L147-Y151 WeakPolarHBondContact O-CB 3.33Å; L147-Y151 PolarHBondContact O-N 2.95Å; Y151-S156 WeakPolarHBondContact CD1-O 3.37Å; Y151-P158 HydrophobicContact CD1-CB 4.31Å; Y151-P158 HydrophobicContact CE1-CB 3.64Å; Y151-P158 HydrophobicContact CE1-CG 4.19Å
152R91.7Very high94.4Very high234 Ų23465.5 Ų65.588%0.88332%0.318SS*.SBendtrans-74.5-35.2176.7-178.6178.8175.8-175.9-0.7111.8S156R152-S156 PolarHBondContact N-OG 3.33Å
153N90.8Very high94.1Very high81 Ų8166.8 Ų66.843%0.43332%0.324SS..SBendtrans-158.3175175.660.151.2000109.6N155 S156N153-N155 PolarHBondContact O-N 3.12Å; N153-N155 VanDerWaalsContact O-N 3.16Å; N153-N155 PolarHBondContact OD1-N 2.84Å; N153-N155 VanDerWaalsContact OD1-N 3.15Å; N153-S156 PolarHBondContact N-OG 3.41Å; N153-S156 PolarHBondContact O-N 2.99Å; N153-S156 VanDerWaalsContact O-N 3.14Å; N153-S156 PolarHBondContact O-OG 3.29Å; N153-S156 WeakPolarHBondContact OD1-CB 3.44Å; N153-S156 PolarHBondContact OD1-N 3.25Å
154D86.6Confident93.9Very high81 Ų8170.1 Ų70.143%0.43335%0.346SS..THydrogen-bonded Turntrans-60.8-28.6-173.2-68.4-35.8000114.5R88R88-D154 VanDerWaalsContact CD-OD1 3.25Å; R88-D154 WeakPolarHBondContact CD-OD1 3.27Å; R88-D154 IonicContact CZ-OD1 3.72Å; R88-D154 IonicContact NE-OD1 3.84Å; R88-D154 IonicContact NH1-OD1 2.88Å; R88-D154 PolarHBondContact NH1-OD1 3.36Å
155N83.6Confident93.7Very high152 Ų15268.2 Ų68.281%0.81333%0.333SS*.THydrogen-bonded Turntrans-98.7-3.3-177.4-63.6-33.2000113.5N153N153-N155 PolarHBondContact O-N 3.12Å; N153-N155 VanDerWaalsContact O-N 3.16Å; N153-N155 PolarHBondContact OD1-N 2.84Å; N153-N155 VanDerWaalsContact OD1-N 3.15Å
156S87.4Confident93.2Very high15 Ų1567.1 Ų67.111%0.10533%0.329CS..SBendtrans-77.3144.1-179.764.50000111.1Y151 R152 N153Y151-S156 WeakPolarHBondContact CD1-O 3.37Å; R152-S156 PolarHBondContact N-OG 3.33Å; N153-S156 PolarHBondContact N-OG 3.41Å; N153-S156 PolarHBondContact O-N 2.99Å; N153-S156 VanDerWaalsContact O-N 3.14Å; N153-S156 PolarHBondContact O-OG 3.29Å; N153-S156 WeakPolarHBondContact OD1-CB 3.44Å; N153-S156 PolarHBondContact OD1-N 3.25Å
157P91.5Very high92.7Very high98 Ų9876 Ų7664%0.63637%0.368SS*.PPolyproline II helixtrans-65.1156.2166.929.5-34.6000110
158P94.1Very high92.4Very high27 Ų2782.3 Ų82.318%0.17539%0.391CS..PPolyproline II helixtrans-63.1142.3178.626.5-33.8000111.6V150 Y151 K160 L163V150-P158 HydrophobicContact CG1-CB 3.72Å; Y151-P158 HydrophobicContact CD1-CB 4.31Å; Y151-P158 HydrophobicContact CE1-CB 3.64Å; Y151-P158 HydrophobicContact CE1-CG 4.19Å; P158-K160 PolarHBondContact O-N 3.22Å; P158-L163 HydrophobicContact CB-CD1 3.55Å; P158-L163 HydrophobicContact CB-CD2 4.29Å; P158-L163 HydrophobicContact CB-CG 3.94Å; P158-L163 HydrophobicContact CG-CD1 3.41Å; P158-L163 VanDerWaalsContact CG-CD1 3.41Å; P158-L163 HydrophobicContact CG-CG 4.35Å
159S95.8Very high92.1Very high35 Ų3583.3 Ų83.325%0.24539%0.388CS..PPolyproline II helixtrans-61.5118.7-178.7177.30000111.6V150 W161 W162 L163V150-S159 WeakPolarHBondContact O-CB 3.35Å; V150-S159 PolarHBondContact O-N 3.42Å; S159-W161 PolarHBondContact O-N 3.4Å; S159-W161 VanDerWaalsContact O-N 3.1Å; S159-W161 PolarHBondContact OG-N 2.71Å; S159-W162 PolarHBondContact O-N 3.14Å; S159-L163 PolarHBondContact O-N 3.16Å
160K94.5Very high91.9Very high147 Ų14777.6 Ų77.664%0.63936%0.363SS*.Hα-helixtrans-56.1-27.3173.671.3178.4-176.1179.50113P158 W162 C164P158-K160 PolarHBondContact O-N 3.22Å; K160-W162 VanDerWaalsContact C-N 3.27Å; K160-W162 PolarHBondContact O-N 3.45Å; K160-C164 VanDerWaalsContact O-CB 3.3Å; K160-C164 WeakPolarHBondContact O-CB 3.44Å; K160-C164 PolarHBondContact O-N 2.9Å; K160-C164 VanDerWaalsContact O-N 3.11Å; K160-C164 PolarHBondContact O-SG 3.26Å
161W94.5Very high91.6Very high169 Ų16978.3 Ų78.364%0.6437%0.367SS*.Hα-helixtrans-79-8.5179.8-56.4116000114.1S159 F165S159-W161 PolarHBondContact O-N 3.4Å; S159-W161 VanDerWaalsContact O-N 3.1Å; S159-W161 PolarHBondContact OG-N 2.71Å; W161-F165 VanDerWaalsContact O-CE2 3.25Å; W161-F165 WeakPolarHBondContact O-CE2 3.46Å
162W96.5Very high91.3Very high22 Ų2282.8 Ų82.88%0.08339%0.391CS..Hα-helixtrans-105-46168.2-81.3100.9000110.4F49 I75 L79 L146 K149 V150 S159 K160 C164 F165F49-W162 HydrophobicContact CD1-CE3 4.15Å; F49-W162 HydrophobicContact CD1-CH2 4.24Å; F49-W162 AromaticContact CD1-CZ3 3.48Å; F49-W162 HydrophobicContact CD1-CZ3 3.48Å; F49-W162 VanDerWaalsContact CD1-CZ3 3.48Å; F49-W162 HydrophobicContact CE1-CE3 4.19Å; F49-W162 AromaticContact CE1-CZ3 3.95Å; F49-W162 HydrophobicContact CE1-CZ3 3.95Å; F49-W162 HydrophobicContact CG-CZ3 4.21Å; I75-W162 HydrophobicContact CG2-CZ3 4.4Å; L79-W162 HydrophobicContact CD1-CE3 4.17Å; L79-W162 HydrophobicContact CD2-CB 3.99Å; L79-W162 HydrophobicContact CD2-CE3 4.17Å; L146-W162 HydrophobicContact CD1-CE3 4.09Å; L146-W162 HydrophobicContact CD1-CH2 4.4Å; L146-W162 HydrophobicContact CD1-CZ3 3.91Å; K149-W162 HydrophobicContact CB-CH2 4.42Å; K149-W162 HydrophobicContact CB-CZ2 3.65Å; K149-W162 HydrophobicContact CG-CZ2 4.1Å; K149-W162 PolarHBondContact O-NE1 2.85Å; K149-W162 VanDerWaalsContact O-NE1 3.09Å; V150-W162 HydrophobicContact CG2-CB 3.93Å; V150-W162 HydrophobicContact CG2-CD2 4.45Å; V150-W162 HydrophobicContact CG2-CG 4.08Å; S159-W162 PolarHBondContact O-N 3.14Å; K160-W162 VanDerWaalsContact C-N 3.27Å; K160-W162 PolarHBondContact O-N 3.45Å; W162-C164 PolarHBondContact O-N 2.78Å; W162-F165 WeakPolarHBondContact O-CD2 3.41Å; W162-F165 PolarHBondContact O-N 3.04Å; W162-F165 VanDerWaalsContact O-N 3.11Å
163L94.2Very high91.3Very high27 Ų2773.1 Ų73.114%0.14136%0.356CS..Hα-helixtrans-64.4-24.5-177.7-67.8-165.5000114.3L79 L82 Q83 V150 P158 S159 F165 G166L79-L163 HydrophobicContact CD2-CD2 4.5Å; L82-L163 HydrophobicContact CB-CD2 3.98Å; Q83-L163 HydrophobicContact CG-CB 4.36Å; Q83-L163 HydrophobicContact CG-CD1 4.41Å; Q83-L163 HydrophobicContact CG-CD2 4.14Å; Q83-L163 PolarHBondContact NE2-O 3.29Å; V150-L163 HydrophobicContact CG1-CD2 4.44Å; P158-L163 HydrophobicContact CB-CD1 3.55Å; P158-L163 HydrophobicContact CB-CD2 4.29Å; P158-L163 HydrophobicContact CB-CG 3.94Å; P158-L163 HydrophobicContact CG-CD1 3.41Å; P158-L163 VanDerWaalsContact CG-CD1 3.41Å; P158-L163 HydrophobicContact CG-CG 4.35Å; S159-L163 PolarHBondContact O-N 3.16Å; L163-F165 PolarHBondContact O-N 3.44Å; L163-F165 VanDerWaalsContact O-N 3.14Å; L163-G166 PolarHBondContact O-N 3.47Å
164C94Very high91.3Very high74 Ų7469.9 Ų69.950%0.534%0.339SS..THydrogen-bonded Turntrans-59.7-22.4175.565.70000113K160 W162K160-C164 VanDerWaalsContact O-CB 3.3Å; K160-C164 WeakPolarHBondContact O-CB 3.44Å; K160-C164 PolarHBondContact O-N 2.9Å; K160-C164 VanDerWaalsContact O-N 3.11Å; K160-C164 PolarHBondContact O-SG 3.26Å; W162-C164 PolarHBondContact O-N 2.78Å
165F94Very high91.6Very high21 Ų2166.6 Ų66.69%0.09232%0.322CS..THydrogen-bonded Turntrans-83-13.2177.2-62.8-71.9000113.8F49 K50 I53 F54 L76 L79 W161 W162 L163 K167 R168F49-F165 HydrophobicContact CE1-CB 3.98Å; F49-F165 AromaticContact CE1-CD2 4Å; F49-F165 HydrophobicContact CE1-CD2 4Å; F49-F165 AromaticContact CE1-CG 3.97Å; F49-F165 HydrophobicContact CE1-CG 3.97Å; F49-F165 HydrophobicContact CZ-CB 4.03Å; F49-F165 HydrophobicContact CZ-CG 4.44Å; K50-F165 HydrophobicContact CD-CE2 4.23Å; K50-F165 HydrophobicContact CG-CE2 4.01Å; K50-F165 HydrophobicContact CG-CZ 4.17Å; I53-F165 HydrophobicContact CG1-CD1 4.18Å; I53-F165 HydrophobicContact CG2-CD1 3.85Å; I53-F165 HydrophobicContact CG2-CE1 3.82Å; F54-F165 AromaticContact CE2-CE1 3.94Å; F54-F165 HydrophobicContact CE2-CE1 3.94Å; F54-F165 AromaticContact CZ-CE1 3.65Å; F54-F165 HydrophobicContact CZ-CE1 3.65Å; F54-F165 HydrophobicContact CZ-CZ 4.42Å; L76-F165 WeakPolarHBondContact CD2-O 3.48Å; L79-F165 HydrophobicContact CD1-CB 4.05Å; W161-F165 VanDerWaalsContact O-CE2 3.25Å; W161-F165 WeakPolarHBondContact O-CE2 3.46Å; W162-F165 WeakPolarHBondContact O-CD2 3.41Å; W162-F165 PolarHBondContact O-N 3.04Å; W162-F165 VanDerWaalsContact O-N 3.11Å; L163-F165 PolarHBondContact O-N 3.44Å; L163-F165 VanDerWaalsContact O-N 3.14Å; F165-K167 PolarHBondContact O-N 3.34Å; F165-R168 HydrophobicContact CD1-CG 4.23Å; F165-R168 VanDerWaalsContact O-CB 3.31Å; F165-R168 WeakPolarHBondContact O-CB 3.48Å; F165-R168 PolarHBondContact O-N 3.46Å
166G87.5Confident91.6Very high1 Ų161.4 Ų61.41%0.0130%0.295CS..THydrogen-bonded Turntrans-59.7-26.7-174.900000114.2R80 L163R80-G166 WeakPolarHBondContact CG-O 3.46Å; R80-G166 PolarHBondContact NE-O 3.07Å; L163-G166 PolarHBondContact O-N 3.47Å
167K86.7Confident91Very high186 Ų18663 Ų6381%0.80931%0.305SS*.THydrogen-bonded Turntrans-90.8-4.1175.6-63.5-173.7179.5-177.20114.2F165F165-K167 PolarHBondContact O-N 3.34Å
168R91Very high89.6Confident138 Ų13864.2 Ų64.252%0.52131%0.306SS..  trans-78.1163.1178-67.3-73.3-170.5-177.51.4110.6I53 F165I53-R168 HydrophobicContact CD1-CB 4.01Å; I53-R168 HydrophobicContact CG1-CB 3.91Å; F165-R168 HydrophobicContact CD1-CG 4.23Å; F165-R168 VanDerWaalsContact O-CB 3.31Å; F165-R168 WeakPolarHBondContact O-CB 3.48Å; F165-R168 PolarHBondContact O-N 3.46Å
169R89.8Confident87.8Confident115 Ų11566.4 Ų66.443%0.43433%0.333SS..  trans-125.9133.5173.2-63.4-178.5176.4-95.5-1.3108.7L178R169-L178 VanDerWaalsContact NH2-CD2 3.27Å
170F91.9Very high85.8Confident0 Ų069.7 Ų69.70%035%0.351CS..BIsolated β-bridgetrans-95.6127169.6173.2-130.7000107.7L52 I53 L55 Y58 V69 V72 L73 L76 D172 Q173L52-F170 HydrophobicContact CB-CE2 4.2Å; L52-F170 WeakPolarHBondContact O-CD2 3.49Å; L52-F170 VanDerWaalsContact O-CE2 3.25Å; L52-F170 WeakPolarHBondContact O-CE2 3.32Å; I53-F170 HydrophobicContact CD1-CB 3.76Å; L55-F170 HydrophobicContact CB-CD2 4.48Å; L55-F170 HydrophobicContact CB-CE2 4.09Å; Y58-F170 HydrophobicContact CD2-CZ 4.23Å; Y58-F170 HydrophobicContact CG-CZ 4.19Å; V69-F170 HydrophobicContact CB-CE1 4.27Å; V69-F170 HydrophobicContact CG1-CE1 3.97Å; V69-F170 HydrophobicContact CG2-CE1 4.05Å; V69-F170 HydrophobicContact CG2-CZ 4.22Å; V72-F170 HydrophobicContact CB-CD1 4.03Å; V72-F170 HydrophobicContact CB-CE1 4.04Å; V72-F170 HydrophobicContact CG1-CB 4.16Å; V72-F170 HydrophobicContact CG1-CD1 3.43Å; V72-F170 VanDerWaalsContact CG1-CD1 3.43Å; V72-F170 HydrophobicContact CG1-CD2 4.36Å; V72-F170 HydrophobicContact CG1-CE1 3.8Å; V72-F170 HydrophobicContact CG1-CG 3.75Å; V72-F170 HydrophobicContact CG1-CZ 4.42Å; L73-F170 HydrophobicContact CD2-CB 4.2Å; L73-F170 HydrophobicContact CD2-CD1 3.86Å; L73-F170 HydrophobicContact CG-CD1 4.14Å; L76-F170 HydrophobicContact CD1-CB 3.94Å; F170-D172 PolarHBondContact O-N 3.04Å; F170-Q173 PolarHBondContact O-N 3.14Å
171M91.7Very high83.4Confident17 Ų1770.2 Ų70.28%0.08435%0.354CS..THydrogen-bonded Turntrans54.519.1-177.2-58.7169.870.500115.2L55 R56 Y58 V69 M118 Q173L55-M171 PolarHBondContact O-N 3Å; R56-M171 WeakPolarHBondContact O-CA 2.97Å; Y58-M171 WeakPolarHBondContact CB-SD 3.47Å; Y58-M171 HydrophobicContact CG-SD 4.5Å; V69-M171 HydrophobicContact CG1-SD 4.29Å; M118-M171 HydrophobicContact CE-CE 3.38Å; M118-M171 HydrophobicContact SD-CE 3.89Å; M171-Q173 HydrophobicContact CB-CG 3.75Å; M171-Q173 VanDerWaalsContact O-CG 3.3Å; M171-Q173 WeakPolarHBondContact O-CG 3.34Å; M171-Q173 PolarHBondContact O-N 3.49Å; M171-Q173 PolarHBondContact O-NE2 3.14Å
172D90Very high82.9Confident99 Ų9965.3 Ų65.353%0.52934%0.34SS..THydrogen-bonded Turntrans56.919.8-168.5-62.4-50.4000114.7F170F170-D172 PolarHBondContact O-N 3.04Å
173Q91.2Very high82.2Confident31 Ų3167.5 Ų67.515%0.14535%0.353CS..BIsolated β-bridgetrans-100.4164.4-177.2-54.2-52-43.400113.7L73 L115 F170 M171L73-Q173 HydrophobicContact CD1-CB 4.38Å; L73-Q173 HydrophobicContact CD2-CB 3.89Å; L115-Q173 HydrophobicContact CD2-CB 3.95Å; L115-Q173 HydrophobicContact CD2-CG 3.88Å; F170-Q173 PolarHBondContact O-N 3.14Å; M171-Q173 HydrophobicContact CB-CG 3.75Å; M171-Q173 VanDerWaalsContact O-CG 3.3Å; M171-Q173 WeakPolarHBondContact O-CG 3.34Å; M171-Q173 PolarHBondContact O-N 3.49Å; M171-Q173 PolarHBondContact O-NE2 3.14Å
174S91.5Very high81.5Confident13 Ų1369.8 Ų69.89%0.09137%0.365CS..  trans-149.1153.1172.5-168.20000109.7R80 P112 T176R80-S174 PolarHBondContact NH1-OG 3.44Å; P112-S174 VanDerWaalsContact CG-O 3.31Å; P112-S174 WeakPolarHBondContact CG-O 3.28Å; S174-T176 WeakPolarHBondContact CB-O 3.45Å; S174-T176 PolarHBondContact OG-O 3.27Å
175L92.3Very high80.8Confident12 Ų1269.5 Ų69.56%0.06336%0.357CS..SBendtrans-83.9-24.3174.4-57.1169.9000111.7Y70 L73 Y74 E77 P112 L115Y70-L175 HydrophobicContact CD2-CD1 4.27Å; Y70-L175 HydrophobicContact CD2-CD2 3.74Å; Y70-L175 HydrophobicContact CE2-CD1 3.97Å; Y70-L175 HydrophobicContact CE2-CD2 3.83Å; L73-L175 HydrophobicContact CB-CD1 4.05Å; L73-L175 HydrophobicContact CB-CD2 4Å; L73-L175 HydrophobicContact CB-CG 3.72Å; L73-L175 HydrophobicContact CD1-CD2 3.85Å; L73-L175 HydrophobicContact CD1-CG 4.39Å; Y74-L175 HydrophobicContact CD2-CD1 4.14Å; Y74-L175 HydrophobicContact CG-CD1 4.39Å; E77-L175 WeakPolarHBondContact OE1-CA 3.47Å; E77-L175 WeakPolarHBondContact OE1-CB 3.47Å; E77-L175 PolarHBondContact OE1-N 2.95Å; P112-L175 WeakPolarHBondContact CG-O 3.3Å; L115-L175 HydrophobicContact CD1-CD2 3.91Å
176T84.4Confident79.9Confident42 Ų4272.6 Ų72.626%0.25837%0.374SS..SBendtrans-97.9144.8169.657.10000112.4E77 S174 F181E77-T176 PolarHBondContact OE1-N 3.17Å; E77-T176 PolarHBondContact OE1-OG1 2.67Å; S174-T176 WeakPolarHBondContact CB-O 3.45Å; S174-T176 PolarHBondContact OG-O 3.27Å; T176-F181 WeakPolarHBondContact OG1-CE1 3.46Å; T176-F181 WeakPolarHBondContact OG1-CZ 2.75Å
177P73.4Confident79.4Confident49 Ų4977.3 Ų77.332%0.31840%0.398SS..PPolyproline II helixtrans-57.2147.1173.4-22.131.7000112.3G179 V180P177-G179 PolarHBondContact O-N 2.74Å; P177-V180 HydrophobicContact CB-CG2 3.94Å; P177-V180 HydrophobicContact CG-CG2 4.33Å
178L63.5Low78.9Confident124 Ų12469.6 Ų69.665%0.64937%0.368SS*.THydrogen-bonded Turntrans-60.7123.2175.1-69.6170.8000110.1R169R169-L178 VanDerWaalsContact NH2-CD2 3.27Å
179G55Low78Confident72 Ų7264.3 Ų64.374%0.74236%0.357SS*.THydrogen-bonded Turntrans104.21.4174.300000116.1P177 F181P177-G179 PolarHBondContact O-N 2.74Å; G179-F181 VanDerWaalsContact C-N 3.31Å; G179-F181 PolarHBondContact O-N 3.32Å
180V53.8Low77Confident104 Ų10460.1 Ų60.163%0.6335%0.35SS*.  trans-92.939.3180-163.20000112.1P177P177-V180 HydrophobicContact CB-CG2 3.94Å; P177-V180 HydrophobicContact CG-CG2 4.33Å
181F45.5Very low75.7Confident158 Ų15865.5 Ų65.569%0.69338%0.382SS*.  trans-130.40-174.9-53.1-74.9000114.6T176 G179T176-F181 WeakPolarHBondContact OG1-CE1 3.46Å; T176-F181 WeakPolarHBondContact OG1-CZ 2.75Å; G179-F181 VanDerWaalsContact C-N 3.31Å; G179-F181 PolarHBondContact O-N 3.32Å

Retrieved 181 of 181 residues in 38 ms (Link to these results)

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