A0A5K4ENI1_SCHMA Loading...

Putative geranylgeranyl pyrophosphate synthase

AlphaFold DB , UniProt , Accession A0A5K4ENI1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 214 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M61.7Low81Confident169 Ų16983.4 Ų83.483%0.83342%0.418SS*.  0-40.30-152-153.4-85.400113.5V3 L4 H5M1-V3 VanDerWaalsContact C-N 3.34Å; M1-V3 PolarHBondContact O-N 3.41Å; M1-L4 WeakPolarHBondContact O-CB 3.16Å; M1-L4 PolarHBondContact O-N 3.29Å; M1-H5 PolarHBondContact O-N 3.25Å; M1-H5 PolarHBondContact O-ND1 3.23Å
2L77.8Confident81.8Confident140 Ų14082 Ų8273%0.73341%0.412SS*.Hα-helixtrans-57.8-38.4180-70.9170.7000114.6H5 R6L2-H5 PolarHBondContact O-N 2.76Å; L2-R6 PolarHBondContact O-N 2.8Å; L2-R6 VanDerWaalsContact O-N 3.14Å
3V76.6Confident82.7Confident71 Ų7184.8 Ų84.843%0.4342%0.42SS..Hα-helixtrans-67.1-38.4-178.6-175.90000112M1 H5 R6 G7 C32M1-V3 VanDerWaalsContact C-N 3.34Å; M1-V3 PolarHBondContact O-N 3.41Å; V3-H5 VanDerWaalsContact C-N 3.31Å; V3-H5 PolarHBondContact O-N 2.73Å; V3-R6 WeakPolarHBondContact O-CB 3.5Å; V3-R6 PolarHBondContact O-N 3.13Å; V3-R6 VanDerWaalsContact O-N 3.16Å; V3-G7 PolarHBondContact O-N 3.16Å; V3-C32 CarbonylContact C-O 3.56Å; V3-C32 HydrophobicContact CG1-CB 3.73Å
4L75.4Confident83.5Confident42 Ų4279.4 Ų79.422%0.2239%0.393CS..Hα-helixtrans-57.4-46.4175.6-63.2175.3000111.3M1 R6 G7 Q8 K33 L37M1-L4 WeakPolarHBondContact O-CB 3.16Å; M1-L4 PolarHBondContact O-N 3.29Å; L4-R6 VanDerWaalsContact C-N 3.32Å; L4-R6 PolarHBondContact O-N 3.19Å; L4-G7 PolarHBondContact O-N 3.48Å; L4-Q8 PolarHBondContact O-N 2.95Å; L4-K33 WeakPolarHBondContact CD2-O 3.3Å; L4-L37 HydrophobicContact CD2-CB 4.11Å
5H81Confident84Confident121 Ų12178.7 Ų78.756%0.5638%0.384SS*.Hα-helixtrans-67.9-32.3179.8-7081.9000112.3M1 L2 V3 G9M1-H5 PolarHBondContact O-N 3.25Å; M1-H5 PolarHBondContact O-ND1 3.23Å; L2-H5 PolarHBondContact O-N 2.76Å; V3-H5 VanDerWaalsContact C-N 3.31Å; V3-H5 PolarHBondContact O-N 2.73Å; H5-G9 PolarHBondContact O-N 3.16Å
6R82.7Confident84.4Confident175 Ų17578.8 Ų78.866%0.6640%0.395SS*.Hα-helixtrans-63.9-47.8172.7-72.1179.8-179.2-179.6-0.7111.3L2 V3 L4 G9 M10L2-R6 PolarHBondContact O-N 2.8Å; L2-R6 VanDerWaalsContact O-N 3.14Å; V3-R6 WeakPolarHBondContact O-CB 3.5Å; V3-R6 PolarHBondContact O-N 3.13Å; V3-R6 VanDerWaalsContact O-N 3.16Å; L4-R6 VanDerWaalsContact C-N 3.32Å; L4-R6 PolarHBondContact O-N 3.19Å; R6-G9 PolarHBondContact O-N 3.21Å; R6-M10 WeakPolarHBondContact O-CG 3.35Å; R6-M10 PolarHBondContact O-N 3.4Å
7G82.3Confident84.9Confident0 Ų077.3 Ų77.30%039%0.394CS..Hα-helixtrans-58.4-50.2176.500000111.9V3 L4 G9 M10 D11 M29V3-G7 PolarHBondContact O-N 3.16Å; L4-G7 PolarHBondContact O-N 3.48Å; G7-G9 VanDerWaalsContact C-N 3.28Å; G7-G9 PolarHBondContact O-N 3.11Å; G7-M10 PolarHBondContact O-N 3.17Å; G7-M10 VanDerWaalsContact O-N 3.17Å; G7-D11 PolarHBondContact O-N 2.6Å; G7-D11 VanDerWaalsContact O-N 3.12Å; G7-M29 WeakPolarHBondContact O-CG 3.48Å
8Q86.9Confident85.2Confident79 Ų7978.1 Ų78.137%0.36939%0.394SS..Hα-helixtrans-60.9-36.9176.6-16869.29.800112.6L4 D11 I12L4-Q8 PolarHBondContact O-N 2.95Å; Q8-D11 PolarHBondContact O-N 3.37Å; Q8-I12 HydrophobicContact CG-CD1 4.01Å; Q8-I12 VanDerWaalsContact O-CG1 3.29Å; Q8-I12 WeakPolarHBondContact O-CG1 3.14Å; Q8-I12 PolarHBondContact O-N 3.38Å
9G89.7Confident85.6Confident37 Ų3780.2 Ų80.238%0.38140%0.4SS..Hα-helixtrans-64.8-38.5176.100000113.1H5 R6 G7 F13H5-G9 PolarHBondContact O-N 3.16Å; R6-G9 PolarHBondContact O-N 3.21Å; G7-G9 VanDerWaalsContact C-N 3.28Å; G7-G9 PolarHBondContact O-N 3.11Å; G9-F13 WeakPolarHBondContact O-CB 3.18Å; G9-F13 PolarHBondContact O-N 2.9Å
10M88.5Confident86.1Confident71 Ų7177.3 Ų77.335%0.3539%0.388SS..Hα-helixtrans-65.6-45.2175.4-66.6175.183.800111.5R6 G7 I12 F13 W14 M29R6-M10 WeakPolarHBondContact O-CG 3.35Å; R6-M10 PolarHBondContact O-N 3.4Å; G7-M10 PolarHBondContact O-N 3.17Å; G7-M10 VanDerWaalsContact O-N 3.17Å; M10-I12 PolarHBondContact O-N 2.85Å; M10-F13 PolarHBondContact O-N 3.04Å; M10-W14 HydrophobicContact CB-CH2 4.07Å; M10-W14 HydrophobicContact CB-CZ2 4.16Å; M10-W14 HydrophobicContact CB-CZ3 4.27Å; M10-W14 HydrophobicContact CE-CH2 4.17Å; M10-W14 HydrophobicContact CE-CZ2 3.85Å; M10-W14 PolarHBondContact O-N 3.29Å; M10-M29 HydrophobicContact CB-CB 4.29Å; M10-M29 HydrophobicContact CB-CG 3.92Å; M10-M29 HydrophobicContact SD-CB 4.46Å
11D88.1Confident86.7Confident12 Ų1273.6 Ų73.66%0.06437%0.369CS..Hα-helixtrans-56.9-49.4175.9-169.115.3000111.5G7 Q8 F13 R15 M29 K33G7-D11 PolarHBondContact O-N 2.6Å; G7-D11 VanDerWaalsContact O-N 3.12Å; Q8-D11 PolarHBondContact O-N 3.37Å; D11-F13 PolarHBondContact O-N 2.81Å; D11-R15 PolarHBondContact O-N 2.94Å; D11-M29 HydrophobicContact CB-CE 4.26Å; D11-M29 HydrophobicContact CB-CG 4.42Å; D11-M29 HydrophobicContact CB-SD 4.17Å; D11-K33 IonicContact OD2-NZ 2.62Å; D11-K33 PolarHBondContact OD2-NZ 3.05Å
12I91Very high88.4Confident67 Ų6767.5 Ų67.534%0.34434%0.343SS..Hα-helixtrans-64.7-40.8176.4-67.5166.1000111.6Q8 M10 S16Q8-I12 HydrophobicContact CG-CD1 4.01Å; Q8-I12 VanDerWaalsContact O-CG1 3.29Å; Q8-I12 WeakPolarHBondContact O-CG1 3.14Å; Q8-I12 PolarHBondContact O-N 3.38Å; M10-I12 PolarHBondContact O-N 2.85Å; I12-S16 WeakPolarHBondContact O-CB 3.04Å; I12-S16 PolarHBondContact O-N 3.16Å; I12-S16 PolarHBondContact O-OG 2.95Å
13F92.9Very high89.3Confident118 Ų11863.4 Ų63.452%0.51832%0.32SS..Hα-helixtrans-60.3-51.7-179.9169.4-99.9000110.9G9 M10 D11 R15 S16 S17G9-F13 WeakPolarHBondContact O-CB 3.18Å; G9-F13 PolarHBondContact O-N 2.9Å; M10-F13 PolarHBondContact O-N 3.04Å; D11-F13 PolarHBondContact O-N 2.81Å; F13-R15 VanDerWaalsContact C-N 3.35Å; F13-R15 PolarHBondContact O-N 2.9Å; F13-S16 PolarHBondContact O-N 2.82Å; F13-S16 VanDerWaalsContact O-N 3.12Å; F13-S17 WeakPolarHBondContact O-CB 3.48Å; F13-S17 PolarHBondContact O-N 2.97Å; F13-S17 PolarHBondContact O-OG 3.14Å; F13-S17 VanDerWaalsContact O-OG 3.05Å
14W94.2Very high90.2Very high10 Ų1063.9 Ų63.94%0.03833%0.327CS..Hα-helixtrans-58.9-46.5-179.6-66.4-40.6000112.3M10 S16 S17 F18 K19 P21 E25 M29 F95M10-W14 HydrophobicContact CB-CH2 4.07Å; M10-W14 HydrophobicContact CB-CZ2 4.16Å; M10-W14 HydrophobicContact CB-CZ3 4.27Å; M10-W14 HydrophobicContact CE-CH2 4.17Å; M10-W14 HydrophobicContact CE-CZ2 3.85Å; M10-W14 PolarHBondContact O-N 3.29Å; W14-S16 VanDerWaalsContact C-N 3.33Å; W14-S16 PolarHBondContact O-N 3.19Å; W14-S17 PolarHBondContact O-N 3.33Å; W14-S17 PolarHBondContact O-OG 2.96Å; W14-F18 WeakPolarHBondContact O-CA 3.41Å; W14-F18 PolarHBondContact O-N 3.36Å; W14-K19 WeakPolarHBondContact CB-O 3.47Å; W14-K19 PolarHBondContact O-N 3.45Å; W14-K19 VanDerWaalsContact O-N 3.09Å; W14-P21 HydrophobicContact CD2-CB 3.75Å; W14-P21 HydrophobicContact CD2-CG 3.89Å; W14-P21 HydrophobicContact CE3-CB 3.91Å; W14-P21 HydrophobicContact CE3-CG 3.71Å; W14-P21 HydrophobicContact CG-CB 4.37Å; W14-P21 HydrophobicContact CG-CG 4.42Å; W14-P21 HydrophobicContact CH2-CB 3.8Å; W14-P21 HydrophobicContact CH2-CG 4.32Å; W14-P21 HydrophobicContact CZ2-CB 3.66Å; W14-P21 HydrophobicContact CZ3-CB 3.93Å; W14-P21 HydrophobicContact CZ3-CG 3.93Å; W14-E25 HydrophobicContact CH2-CB 4.13Å; W14-E25 WeakPolarHBondContact CH2-O 3.22Å; W14-E25 HydrophobicContact CZ2-CB 3.89Å; W14-M29 HydrophobicContact CH2-CB 3.51Å; W14-M29 HydrophobicContact CH2-CG 4.1Å; W14-M29 HydrophobicContact CZ3-CB 3.6Å; W14-M29 HydrophobicContact CZ3-CE 4Å; W14-M29 HydrophobicContact CZ3-CG 3.74Å; W14-F95 HydrophobicContact CB-CD2 3.85Å; W14-F95 HydrophobicContact CB-CE2 4.28Å; W14-F95 VanDerWaalsContact O-CE2 3.28Å; W14-F95 WeakPolarHBondContact O-CE2 3.04Å
15R91.7Very high91.2Very high69 Ų6965.5 Ų65.526%0.2633%0.333SS..Hα-helixtrans-55.6-47.5173.9173.3174.462.7178.39.9111.9D11 F13 E92 G93D11-R15 PolarHBondContact O-N 2.94Å; F13-R15 VanDerWaalsContact C-N 3.35Å; F13-R15 PolarHBondContact O-N 2.9Å; R15-E92 WeakPolarHBondContact CD-O 3.45Å; R15-E92 IonicContact NH1-OE2 3.04Å; R15-G93 WeakPolarHBondContact CG-O 3.47Å
16S90.2Very high92Very high80 Ų8059.9 Ų59.956%0.55931%0.307SS*.Hα-helixtrans-76.1-28.8-174.8-49.50000113I12 F13 W14I12-S16 WeakPolarHBondContact O-CB 3.04Å; I12-S16 PolarHBondContact O-N 3.16Å; I12-S16 PolarHBondContact O-OG 2.95Å; F13-S16 PolarHBondContact O-N 2.82Å; F13-S16 VanDerWaalsContact O-N 3.12Å; W14-S16 VanDerWaalsContact C-N 3.33Å; W14-S16 PolarHBondContact O-N 3.19Å
17S92.2Very high92.7Very high53 Ų5353.7 Ų53.737%0.37129%0.286SS..Hα-helixtrans-93.1-0.8178.772.90000113.3F13 W14 K19F13-S17 WeakPolarHBondContact O-CB 3.48Å; F13-S17 PolarHBondContact O-N 2.97Å; F13-S17 PolarHBondContact O-OG 3.14Å; F13-S17 VanDerWaalsContact O-OG 3.05Å; W14-S17 PolarHBondContact O-N 3.33Å; W14-S17 PolarHBondContact O-OG 2.96Å; S17-K19 PolarHBondContact O-N 3.37Å; S17-K19 WeakPolarHBondContact OG-CB 3.33Å
18F90Very high93.2Very high92 Ų9255.9 Ų55.940%0.40430%0.304SS..THydrogen-bonded Turntrans46.546.5-172.2-63-71.8000112.4W14 M113 H119W14-F18 WeakPolarHBondContact O-CA 3.41Å; W14-F18 PolarHBondContact O-N 3.36Å; F18-M113 HydrophobicContact CB-CE 3.84Å; F18-M113 WeakPolarHBondContact O-CE 3.5Å; F18-H119 AromaticContact CE1-NE2 4Å; F18-H119 AromaticContact CZ-NE2 3.85Å
19K93.6Very high93.6Very high118 Ų11852.3 Ų52.351%0.51329%0.287SS..  trans-115.7107.5178-176178.2176-176.20108.8W14 S17W14-K19 WeakPolarHBondContact CB-O 3.47Å; W14-K19 PolarHBondContact O-N 3.45Å; W14-K19 VanDerWaalsContact O-N 3.09Å; S17-K19 PolarHBondContact O-N 3.37Å; S17-K19 WeakPolarHBondContact OG-CB 3.33Å
20C96.4Very high93.8Very high22 Ų2250.5 Ų50.515%0.14927%0.269CS..PPolyproline II helixtrans-61.6124.8173.2-172.20000109.5F95 I103C20-F95 HydrophobicContact CB-CD1 3.95Å; C20-F95 HydrophobicContact CB-CE1 3.69Å; C20-F95 HydrophobicContact CB-CZ 4.45Å; C20-I103 HydrophobicContact CB-CB 4.44Å; C20-I103 HydrophobicContact CB-CD1 4.41Å; C20-I103 HydrophobicContact CB-CG2 3.78Å
21P97.3Very high93.9Very high0 Ų049.6 Ų49.60%027%0.265CS..PPolyproline II helixtrans-70.3157.2173.229.9-34.7000111W14 E25 F95 V100 N104W14-P21 HydrophobicContact CD2-CB 3.75Å; W14-P21 HydrophobicContact CD2-CG 3.89Å; W14-P21 HydrophobicContact CE3-CB 3.91Å; W14-P21 HydrophobicContact CE3-CG 3.71Å; W14-P21 HydrophobicContact CG-CB 4.37Å; W14-P21 HydrophobicContact CG-CG 4.42Å; W14-P21 HydrophobicContact CH2-CB 3.8Å; W14-P21 HydrophobicContact CH2-CG 4.32Å; W14-P21 HydrophobicContact CZ2-CB 3.66Å; W14-P21 HydrophobicContact CZ3-CB 3.93Å; W14-P21 HydrophobicContact CZ3-CG 3.93Å; P21-E25 WeakPolarHBondContact CA-OE2 3.46Å; P21-E25 HydrophobicContact CB-CB 3.85Å; P21-F95 HydrophobicContact CG-CB 4.26Å; P21-V100 HydrophobicContact CG-CG2 3.87Å; P21-V100 WeakPolarHBondContact O-CG1 3.39Å; P21-N104 PolarHBondContact O-ND2 3.37Å
22S97.3Very high93.9Very high41 Ų4150.6 Ų50.629%0.28727%0.273SS..PPolyproline II helixtrans-65.3164.2162.4780000110.9S24 E25 Y26S22-S24 VanDerWaalsContact C-N 3.26Å; S22-S24 PolarHBondContact O-N 3.41Å; S22-S24 PolarHBondContact OG-N 3.11Å; S22-S24 PolarHBondContact OG-OG 3.24Å; S22-E25 PolarHBondContact N-OE2 3.08Å; S22-E25 PolarHBondContact O-N 2.91Å; S22-E25 WeakPolarHBondContact OG-CG 3.27Å; S22-E25 PolarHBondContact OG-N 3.49Å; S22-Y26 PolarHBondContact O-N 3.23Å
23E96.5Very high93.5Very high53 Ų5349.9 Ų49.925%0.24827%0.267CS..Hα-helixtrans-56.1-42.6172.5-178.5178.7156.700111.8E25 Y26 E27 Y97 R101 K145E23-E25 PolarHBondContact O-N 3.06Å; E23-Y26 WeakPolarHBondContact O-CB 3.49Å; E23-Y26 PolarHBondContact O-N 3.4Å; E23-E27 WeakPolarHBondContact O-CG 3.35Å; E23-E27 PolarHBondContact O-N 2.84Å; E23-Y97 HydrophobicContact CG-CE2 3.98Å; E23-Y97 PolarHBondContact OE1-OH 3.38Å; E23-R101 IonicContact OE2-CZ 3.95Å; E23-R101 IonicContact OE2-NH1 3.25Å; E23-R101 PolarHBondContact OE2-NH1 3.46Å; E23-K145 IonicContact OE1-NZ 3.65Å; E23-K145 PolarHBondContact OE1-NZ 2.86Å
24S96.8Very high92.8Very high82 Ų8245 Ų4557%0.57325%0.247SC*.Hα-helixtrans-67.9-35.9-179.657.80000112.9S22 A28S22-S24 VanDerWaalsContact C-N 3.26Å; S22-S24 PolarHBondContact O-N 3.41Å; S22-S24 PolarHBondContact OG-N 3.11Å; S22-S24 PolarHBondContact OG-OG 3.24Å; S24-A28 WeakPolarHBondContact O-CB 3.38Å; S24-A28 PolarHBondContact O-N 3.18Å
25E97Very high91.7Very high75 Ų7544.7 Ų44.735%0.3525%0.247SC..Hα-helixtrans-65.6-46.5173.1-75.1177.3142.300110.6W14 P21 S22 E23 E27 A28 M29W14-E25 HydrophobicContact CH2-CB 4.13Å; W14-E25 WeakPolarHBondContact CH2-O 3.22Å; W14-E25 HydrophobicContact CZ2-CB 3.89Å; P21-E25 WeakPolarHBondContact CA-OE2 3.46Å; P21-E25 HydrophobicContact CB-CB 3.85Å; S22-E25 PolarHBondContact N-OE2 3.08Å; S22-E25 PolarHBondContact O-N 2.91Å; S22-E25 WeakPolarHBondContact OG-CG 3.27Å; S22-E25 PolarHBondContact OG-N 3.49Å; E23-E25 PolarHBondContact O-N 3.06Å; E25-E27 PolarHBondContact O-N 3.3Å; E25-A28 PolarHBondContact O-N 3.15Å; E25-M29 PolarHBondContact O-N 2.98Å
26Y97.3Very high91Very high3 Ų342.4 Ų42.41%0.01224%0.244CC..Hα-helixtrans-55.4-50.7174.2171.9-86.9000110.8S22 E23 A28 M29 V30 Q67 I68 D71 Y97 V100S22-Y26 PolarHBondContact O-N 3.23Å; E23-Y26 WeakPolarHBondContact O-CB 3.49Å; E23-Y26 PolarHBondContact O-N 3.4Å; Y26-A28 VanDerWaalsContact C-N 3.34Å; Y26-A28 PolarHBondContact O-N 2.92Å; Y26-M29 HydrophobicContact CD2-CE 4Å; Y26-M29 HydrophobicContact CE2-CE 4.01Å; Y26-M29 WeakPolarHBondContact O-CB 3.36Å; Y26-M29 PolarHBondContact O-N 2.95Å; Y26-M29 VanDerWaalsContact O-N 3.16Å; Y26-V30 HydrophobicContact CD1-CG2 4.11Å; Y26-V30 HydrophobicContact CE1-CG2 3.55Å; Y26-V30 HydrophobicContact CE2-CG2 4.11Å; Y26-V30 WeakPolarHBondContact O-CG2 3.02Å; Y26-V30 PolarHBondContact O-N 3.3Å; Y26-Q67 WeakPolarHBondContact OH-CG 3.08Å; Y26-I68 HydrophobicContact CE1-CD1 4.36Å; Y26-I68 HydrophobicContact CE1-CG1 3.94Å; Y26-D71 PolarHBondContact OH-OD2 3.2Å; Y26-Y97 AromaticContact CD1-CD2 3.73Å; Y26-Y97 HydrophobicContact CD1-CD2 3.73Å; Y26-Y97 AromaticContact CE1-CD2 3.57Å; Y26-Y97 HydrophobicContact CE1-CD2 3.57Å; Y26-Y97 HydrophobicContact CE1-CG 4.2Å; Y26-V100 HydrophobicContact CD2-CG2 4.19Å
27E96.3Very high90.8Very high45 Ų4543.5 Ų43.521%0.2124%0.244CC..Hα-helixtrans-59.6-43.3178.4-72.1-169.215400112.3E23 E25 M29 V30 L31 L64 K145E23-E27 WeakPolarHBondContact O-CG 3.35Å; E23-E27 PolarHBondContact O-N 2.84Å; E25-E27 PolarHBondContact O-N 3.3Å; E27-M29 VanDerWaalsContact C-N 3.32Å; E27-M29 PolarHBondContact O-N 3.26Å; E27-V30 PolarHBondContact O-N 2.96Å; E27-L31 VanDerWaalsContact O-CG 3.29Å; E27-L31 WeakPolarHBondContact O-CG 3.29Å; E27-L31 PolarHBondContact O-N 2.87Å; E27-L64 HydrophobicContact CB-CD2 3.88Å; E27-L64 HydrophobicContact CG-CD2 3.89Å; E27-K145 WeakPolarHBondContact OE1-CE 3.44Å; E27-K145 IonicContact OE1-NZ 2.71Å; E27-K145 PolarHBondContact OE1-NZ 3.47Å
28A94.5Very high90.6Very high46 Ų4644.2 Ų44.238%0.3824%0.24SC..Hα-helixtrans-62-39.8177.200000112.1S24 E25 Y26 L31 C32S24-A28 WeakPolarHBondContact O-CB 3.38Å; S24-A28 PolarHBondContact O-N 3.18Å; E25-A28 PolarHBondContact O-N 3.15Å; Y26-A28 VanDerWaalsContact C-N 3.34Å; Y26-A28 PolarHBondContact O-N 2.92Å; A28-L31 PolarHBondContact O-N 3.3Å; A28-C32 PolarHBondContact O-N 3.14Å; A28-C32 VanDerWaalsContact O-N 3.12Å; A28-C32 PolarHBondContact O-SG 3.06Å
29M94.2Very high90.5Very high4 Ų440.6 Ų40.62%0.0223%0.226CC..Hα-helixtrans-62-46.9173.5175.1-78.5-72.700111.1G7 M10 D11 W14 E25 Y26 E27 L31 C32 K33G7-M29 WeakPolarHBondContact O-CG 3.48Å; M10-M29 HydrophobicContact CB-CB 4.29Å; M10-M29 HydrophobicContact CB-CG 3.92Å; M10-M29 HydrophobicContact SD-CB 4.46Å; D11-M29 HydrophobicContact CB-CE 4.26Å; D11-M29 HydrophobicContact CB-CG 4.42Å; D11-M29 HydrophobicContact CB-SD 4.17Å; W14-M29 HydrophobicContact CH2-CB 3.51Å; W14-M29 HydrophobicContact CH2-CG 4.1Å; W14-M29 HydrophobicContact CZ3-CB 3.6Å; W14-M29 HydrophobicContact CZ3-CE 4Å; W14-M29 HydrophobicContact CZ3-CG 3.74Å; E25-M29 PolarHBondContact O-N 2.98Å; Y26-M29 HydrophobicContact CD2-CE 4Å; Y26-M29 HydrophobicContact CE2-CE 4.01Å; Y26-M29 WeakPolarHBondContact O-CB 3.36Å; Y26-M29 PolarHBondContact O-N 2.95Å; Y26-M29 VanDerWaalsContact O-N 3.16Å; E27-M29 VanDerWaalsContact C-N 3.32Å; E27-M29 PolarHBondContact O-N 3.26Å; M29-L31 PolarHBondContact O-N 3.45Å; M29-C32 WeakPolarHBondContact O-CB 3.34Å; M29-C32 PolarHBondContact O-N 3.43Å; M29-C32 VanDerWaalsContact O-N 3.08Å; M29-K33 PolarHBondContact O-N 3.39Å; M29-K33 HydrophobicContact SD-CB 4.42Å; M29-K33 HydrophobicContact SD-CD 4.27Å
30V93.6Very high90.4Very high0 Ų038.7 Ų38.70%022%0.221CC..Hα-helixtrans-60.8-45.3178.3174.20000111Y26 E27 C32 K33 T34 L64 Q67Y26-V30 HydrophobicContact CD1-CG2 4.11Å; Y26-V30 HydrophobicContact CE1-CG2 3.55Å; Y26-V30 HydrophobicContact CE2-CG2 4.11Å; Y26-V30 WeakPolarHBondContact O-CG2 3.02Å; Y26-V30 PolarHBondContact O-N 3.3Å; E27-V30 PolarHBondContact O-N 2.96Å; V30-C32 PolarHBondContact O-N 2.99Å; V30-K33 CarbonylContact O-C 3.5Å; V30-K33 PolarHBondContact O-N 2.9Å; V30-T34 HydrophobicContact CG1-CG2 4.43Å; V30-T34 VanDerWaalsContact CG1-OG1 3.31Å; V30-T34 WeakPolarHBondContact CG1-OG1 3.28Å; V30-T34 PolarHBondContact O-N 2.96Å; V30-T34 PolarHBondContact O-OG1 3.08Å; V30-L64 HydrophobicContact CB-CD2 3.88Å; V30-L64 HydrophobicContact CG1-CD2 3.81Å; V30-L64 HydrophobicContact CG1-CG 4.44Å; V30-Q67 HydrophobicContact CB-CG 4.42Å; V30-Q67 HydrophobicContact CG1-CB 3.48Å; V30-Q67 VanDerWaalsContact CG1-CB 3.48Å; V30-Q67 HydrophobicContact CG1-CG 3.86Å; V30-Q67 HydrophobicContact CG2-CB 4.19Å; V30-Q67 HydrophobicContact CG2-CG 3.68Å
31L91.9Very high90.2Very high51 Ų5139.3 Ų39.327%0.26723%0.232SC..Iπ-helixtrans-59.9-31.7176.6-69.8178.1000112.5E27 A28 M29 G35 G36 D60 L64E27-L31 VanDerWaalsContact O-CG 3.29Å; E27-L31 WeakPolarHBondContact O-CG 3.29Å; E27-L31 PolarHBondContact O-N 2.87Å; A28-L31 PolarHBondContact O-N 3.3Å; M29-L31 PolarHBondContact O-N 3.45Å; L31-G35 VanDerWaalsContact O-CA 3.28Å; L31-G35 WeakPolarHBondContact O-CA 3.39Å; L31-G35 PolarHBondContact O-N 3.22Å; L31-G36 PolarHBondContact O-N 3.5Å; L31-D60 HydrophobicContact CD2-CB 3.49Å; L31-D60 VanDerWaalsContact CD2-CB 3.49Å; L31-L64 HydrophobicContact CD1-CD1 4.45Å; L31-L64 HydrophobicContact CD2-CD1 3.83Å; L31-L64 HydrophobicContact CD2-CD2 4.4Å; L31-L64 HydrophobicContact CD2-CG 3.74Å; L31-L64 HydrophobicContact CG-CD1 4.2Å; L31-L64 HydrophobicContact CG-CD2 4.31Å; L31-L64 HydrophobicContact CG-CG 4.16Å
32C87.1Confident90Very high34 Ų3441 Ų4123%0.2324%0.241CC..Iπ-helixtrans-72.1-40.2172.8-67.50000112.5V3 A28 M29 V30V3-C32 CarbonylContact C-O 3.56Å; V3-C32 HydrophobicContact CG1-CB 3.73Å; A28-C32 PolarHBondContact O-N 3.14Å; A28-C32 VanDerWaalsContact O-N 3.12Å; A28-C32 PolarHBondContact O-SG 3.06Å; M29-C32 WeakPolarHBondContact O-CB 3.34Å; M29-C32 PolarHBondContact O-N 3.43Å; M29-C32 VanDerWaalsContact O-N 3.08Å; V30-C32 PolarHBondContact O-N 2.99Å
33K83.2Confident89.7Confident52 Ų5246.1 Ų46.123%0.22626%0.255CS..Iπ-helixtrans-80.4-58.2-175.6-176.2177.6176.9176.50113.3L4 D11 M29 V30L4-K33 WeakPolarHBondContact CD2-O 3.3Å; D11-K33 IonicContact OD2-NZ 2.62Å; D11-K33 PolarHBondContact OD2-NZ 3.05Å; M29-K33 PolarHBondContact O-N 3.39Å; M29-K33 HydrophobicContact SD-CB 4.42Å; M29-K33 HydrophobicContact SD-CD 4.27Å; V30-K33 CarbonylContact O-C 3.5Å; V30-K33 PolarHBondContact O-N 2.9Å
34T77.9Confident89.6Confident16 Ų1648 Ų4810%0.09827%0.266CS..Iπ-helixtrans-88.3-42-176.557.90000111.5V30 G36 L37 F38 G63 Q67V30-T34 HydrophobicContact CG1-CG2 4.43Å; V30-T34 VanDerWaalsContact CG1-OG1 3.31Å; V30-T34 WeakPolarHBondContact CG1-OG1 3.28Å; V30-T34 PolarHBondContact O-N 2.96Å; V30-T34 PolarHBondContact O-OG1 3.08Å; T34-G36 VanDerWaalsContact C-N 3.25Å; T34-G36 PolarHBondContact O-N 3.4Å; T34-L37 PolarHBondContact O-N 3.31Å; T34-F38 PolarHBondContact O-N 3.31Å; T34-F38 VanDerWaalsContact O-N 3.11Å; T34-G63 VanDerWaalsContact OG1-C 3.27Å; T34-G63 WeakPolarHBondContact OG1-CA 3.44Å; T34-G63 PolarHBondContact OG1-O 3.16Å; T34-Q67 HydrophobicContact CG2-CB 4.14Å
35G70.2Confident89.6Confident3 Ų350.7 Ų50.73%0.03127%0.271CS..Iπ-helixtrans-59.2-36.9176.200000112.3L31 L37 S39L31-G35 VanDerWaalsContact O-CA 3.28Å; L31-G35 WeakPolarHBondContact O-CA 3.39Å; L31-G35 PolarHBondContact O-N 3.22Å; G35-L37 VanDerWaalsContact C-N 3.32Å; G35-L37 PolarHBondContact O-N 3.46Å; G35-S39 WeakPolarHBondContact O-CB 3.31Å; G35-S39 PolarHBondContact O-N 2.86Å
36G77.5Confident89.5Confident20 Ų2048.4 Ų48.421%0.20626%0.26CS..Hα-helixtrans-62-34.2174.900000114.1L31 T34 L40L31-G36 PolarHBondContact O-N 3.5Å; T34-G36 VanDerWaalsContact C-N 3.25Å; T34-G36 PolarHBondContact O-N 3.4Å; G36-L40 WeakPolarHBondContact O-CB 3.44Å; G36-L40 PolarHBondContact O-N 3.01Å; G36-L40 VanDerWaalsContact O-N 3.11Å
37L86.3Confident89.5Confident104 Ų10454.3 Ų54.355%0.54529%0.292SS..Hα-helixtrans-80.3-47.1-178.3-176.262.3000110.9L4 T34 G35 S39 L40 G41L4-L37 HydrophobicContact CD2-CB 4.11Å; T34-L37 PolarHBondContact O-N 3.31Å; G35-L37 VanDerWaalsContact C-N 3.32Å; G35-L37 PolarHBondContact O-N 3.46Å; L37-S39 VanDerWaalsContact C-N 3.34Å; L37-S39 PolarHBondContact O-N 3.06Å; L37-L40 WeakPolarHBondContact O-CB 3.32Å; L37-L40 PolarHBondContact O-N 2.96Å; L37-G41 PolarHBondContact O-N 3.36Å; L37-G41 VanDerWaalsContact O-N 3.08Å
38F88.2Confident89.5Confident68 Ų6861.3 Ų61.330%0.29832%0.322SS..Hα-helixtrans-63-41.3175-67.4-37.7000111.8T34 L40 G41 V42 L59 I62T34-F38 PolarHBondContact O-N 3.31Å; T34-F38 VanDerWaalsContact O-N 3.11Å; F38-L40 VanDerWaalsContact C-N 3.34Å; F38-L40 PolarHBondContact O-N 3.06Å; F38-G41 PolarHBondContact O-N 2.99Å; F38-V42 PolarHBondContact O-N 3.17Å; F38-L59 HydrophobicContact CB-CB 4.32Å; F38-L59 HydrophobicContact CB-CD2 4.05Å; F38-I62 HydrophobicContact CD2-CG2 4.26Å; F38-I62 HydrophobicContact CE2-CG2 3.85Å; F38-I62 HydrophobicContact CZ-CG2 4.35Å
39S88.2Confident89.5Confident16 Ų1661.8 Ų61.811%0.11232%0.322CS..Hα-helixtrans-63.1-38.6174.7-1710000112.3G35 L37 R43G35-S39 WeakPolarHBondContact O-CB 3.31Å; G35-S39 PolarHBondContact O-N 2.86Å; L37-S39 VanDerWaalsContact C-N 3.34Å; L37-S39 PolarHBondContact O-N 3.06Å; S39-R43 WeakPolarHBondContact O-CB 3.28Å; S39-R43 WeakPolarHBondContact O-CG 3.32Å; S39-R43 PolarHBondContact O-N 3.01Å; S39-R43 PolarHBondContact OG-NE 3.38Å
40L90.4Very high89.6Confident78 Ų7871.1 Ų71.141%0.40837%0.366SS..Hα-helixtrans-60.9-48.7174.4178.762.1000111.4G36 L37 F38 R43 L44G36-L40 WeakPolarHBondContact O-CB 3.44Å; G36-L40 PolarHBondContact O-N 3.01Å; G36-L40 VanDerWaalsContact O-N 3.11Å; L37-L40 WeakPolarHBondContact O-CB 3.32Å; L37-L40 PolarHBondContact O-N 2.96Å; F38-L40 VanDerWaalsContact C-N 3.34Å; F38-L40 PolarHBondContact O-N 3.06Å; L40-R43 PolarHBondContact O-N 3.3Å; L40-L44 HydrophobicContact CD1-CD1 4Å; L40-L44 HydrophobicContact CD1-CG 4.08Å; L40-L44 HydrophobicContact CG-CD1 4.02Å; L40-L44 HydrophobicContact CG-CG 4.49Å; L40-L44 WeakPolarHBondContact O-CB 3.5Å; L40-L44 VanDerWaalsContact O-CG 3.27Å; L40-L44 WeakPolarHBondContact O-CG 3.3Å; L40-L44 PolarHBondContact O-N 2.93Å
41G92.2Very high89.6Confident35 Ų3574.2 Ų74.236%0.36138%0.382SS..Hα-helixtrans-57.8-52.2179.600000112.5L37 F38 L44 M45L37-G41 PolarHBondContact O-N 3.36Å; L37-G41 VanDerWaalsContact O-N 3.08Å; F38-G41 PolarHBondContact O-N 2.99Å; G41-L44 PolarHBondContact O-N 3.25Å; G41-M45 WeakPolarHBondContact O-CG 3.46Å; G41-M45 PolarHBondContact O-N 2.77Å; G41-M45 VanDerWaalsContact O-N 3.15Å
42V93.1Very high89.7Confident34 Ų3477.9 Ų77.921%0.20640%0.398CS..Hα-helixtrans-64.8-43.2179.5174.40000111.7F38 L44 M45 Q46 Y55 L59F38-V42 PolarHBondContact O-N 3.17Å; V42-L44 VanDerWaalsContact C-N 3.31Å; V42-L44 PolarHBondContact O-N 3.46Å; V42-M45 WeakPolarHBondContact O-CB 3.45Å; V42-M45 PolarHBondContact O-N 3.11Å; V42-M45 VanDerWaalsContact O-N 3.11Å; V42-Q46 HydrophobicContact CG1-CG 4.25Å; V42-Q46 WeakPolarHBondContact O-CG 3.43Å; V42-Q46 PolarHBondContact O-N 3.16Å; V42-Y55 HydrophobicContact CG1-CD2 4.08Å; V42-L59 HydrophobicContact CB-CD1 3.8Å; V42-L59 HydrophobicContact CG1-CD1 4.15Å; V42-L59 HydrophobicContact CG2-CD1 3.81Å; V42-L59 HydrophobicContact CG2-CD2 3.59Å; V42-L59 HydrophobicContact CG2-CG 4.32Å
43R92Very high90.1Very high150 Ų15079 Ų7957%0.56640%0.404SS*.Hα-helixtrans-62.5-38.2178.6-74.9176.1176.1-168.11.8112.3S39 L40 M45 Q46 L47S39-R43 WeakPolarHBondContact O-CB 3.28Å; S39-R43 WeakPolarHBondContact O-CG 3.32Å; S39-R43 PolarHBondContact O-N 3.01Å; S39-R43 PolarHBondContact OG-NE 3.38Å; L40-R43 PolarHBondContact O-N 3.3Å; R43-M45 VanDerWaalsContact C-N 3.34Å; R43-Q46 PolarHBondContact O-N 2.93Å; R43-L47 WeakPolarHBondContact O-CG 3.48Å; R43-L47 PolarHBondContact O-N 3.43Å; R43-L47 VanDerWaalsContact O-N 3.13Å
44L94.8Very high90.6Very high92 Ų9281.5 Ų81.548%0.48242%0.419SS..Hα-helixtrans-62.9-40.6174.1-73.3172.5000111.7L40 G41 V42 Q46 L47 F48L40-L44 HydrophobicContact CD1-CD1 4Å; L40-L44 HydrophobicContact CD1-CG 4.08Å; L40-L44 HydrophobicContact CG-CD1 4.02Å; L40-L44 HydrophobicContact CG-CG 4.49Å; L40-L44 WeakPolarHBondContact O-CB 3.5Å; L40-L44 VanDerWaalsContact O-CG 3.27Å; L40-L44 WeakPolarHBondContact O-CG 3.3Å; L40-L44 PolarHBondContact O-N 2.93Å; G41-L44 PolarHBondContact O-N 3.25Å; V42-L44 VanDerWaalsContact C-N 3.31Å; V42-L44 PolarHBondContact O-N 3.46Å; L44-Q46 VanDerWaalsContact C-N 3.32Å; L44-L47 HydrophobicContact CD2-CD1 4.12Å; L44-L47 PolarHBondContact O-N 3.08Å; L44-F48 WeakPolarHBondContact O-CD2 3.37Å
45M95.9Very high91.4Very high138 Ų13883 Ų8368%0.6842%0.424SS*.Hα-helixtrans-63.5-39.2173.5-63.2167.871.200111.7G41 V42 R43 L47 F48 S49G41-M45 WeakPolarHBondContact O-CG 3.46Å; G41-M45 PolarHBondContact O-N 2.77Å; G41-M45 VanDerWaalsContact O-N 3.15Å; V42-M45 WeakPolarHBondContact O-CB 3.45Å; V42-M45 PolarHBondContact O-N 3.11Å; V42-M45 VanDerWaalsContact O-N 3.11Å; R43-M45 VanDerWaalsContact C-N 3.34Å; M45-L47 VanDerWaalsContact C-N 3.29Å; M45-L47 PolarHBondContact O-N 3.12Å; M45-F48 PolarHBondContact O-N 3.45Å; M45-S49 PolarHBondContact O-N 2.88Å
46Q95.6Very high92.5Very high27 Ų2786.9 Ų86.913%0.12644%0.44CS..Hα-helixtrans-68.2-23.3179.4-69.9-175.8-66.600113.6V42 R43 L44 F48 S49 N51 Q52 T53V42-Q46 HydrophobicContact CG1-CG 4.25Å; V42-Q46 WeakPolarHBondContact O-CG 3.43Å; V42-Q46 PolarHBondContact O-N 3.16Å; R43-Q46 PolarHBondContact O-N 2.93Å; L44-Q46 VanDerWaalsContact C-N 3.32Å; Q46-F48 PolarHBondContact O-N 3.48Å; Q46-F48 VanDerWaalsContact O-N 3.16Å; Q46-S49 PolarHBondContact O-N 3.22Å; Q46-N51 PolarHBondContact NE2-O 3Å; Q46-N51 VanDerWaalsContact NE2-O 3.16Å; Q46-Q52 PolarHBondContact O-NE2 3.49Å; Q46-T53 PolarHBondContact NE2-O 3.33Å
47L95.7Very high93.4Very high128 Ų12888.1 Ų88.167%0.6744%0.444SS*.THydrogen-bonded Turntrans-60.8-23172.7-67178.5000113.1R43 L44 M45R43-L47 WeakPolarHBondContact O-CG 3.48Å; R43-L47 PolarHBondContact O-N 3.43Å; R43-L47 VanDerWaalsContact O-N 3.13Å; L44-L47 HydrophobicContact CD2-CD1 4.12Å; L44-L47 PolarHBondContact O-N 3.08Å; M45-L47 VanDerWaalsContact C-N 3.29Å; M45-L47 PolarHBondContact O-N 3.12Å
48F96.1Very high93.8Very high192 Ų19283.7 Ų83.784%0.84242%0.421SS*.THydrogen-bonded Turntrans-120.118.2-177.8-55.8-81.3000112.4L44 M45 Q46L44-F48 WeakPolarHBondContact O-CD2 3.37Å; M45-F48 PolarHBondContact O-N 3.45Å; Q46-F48 PolarHBondContact O-N 3.48Å; Q46-F48 VanDerWaalsContact O-N 3.16Å
49S95.7Very high94.1Very high56 Ų5681.3 Ų81.339%0.39241%0.411SS..  trans-122.5147-179.8-1710000110.6M45 Q46 N51 Q52M45-S49 PolarHBondContact O-N 2.88Å; Q46-S49 PolarHBondContact O-N 3.22Å; S49-N51 PolarHBondContact O-N 3.03Å; S49-N51 PolarHBondContact OG-N 3.22Å; S49-Q52 PolarHBondContact O-NE2 3.4Å
50E96.3Very high94.4Very high200 Ų20082 Ų8294%0.93541%0.414SS*.SBendtrans-70.4-19.1167.6-63.9-177.9171.300111.8Q52E50-Q52 PolarHBondContact O-N 3.26Å
51N93.8Very high94.7Very high65 Ų6578.7 Ų78.735%0.34840%0.397SS..  trans-82.1103.4-179.9-175.2-18.1000111.9Q46 S49 T53 Y55Q46-N51 PolarHBondContact NE2-O 3Å; Q46-N51 VanDerWaalsContact NE2-O 3.16Å; S49-N51 PolarHBondContact O-N 3.03Å; S49-N51 PolarHBondContact OG-N 3.22Å; N51-T53 WeakPolarHBondContact OD1-CB 3.37Å; N51-T53 PolarHBondContact OD1-N 2.93Å; N51-T53 PolarHBondContact OD1-OG1 3.06Å; N51-Y55 PolarHBondContact ND2-OH 2.9Å
52Q94Very high94.9Very high128 Ų12878 Ų7860%0.59839%0.385SS*.  trans-101.121.8178.4-58.1-58.5-45.400113.5Q46 S49 E50 D54Q46-Q52 PolarHBondContact O-NE2 3.49Å; S49-Q52 PolarHBondContact O-NE2 3.4Å; E50-Q52 PolarHBondContact O-N 3.26Å; Q52-D54 PolarHBondContact O-N 2.97Å
53T95.1Very high95Very high57 Ų5776.4 Ų76.435%0.3538%0.375SS..  trans-59.7136.8-179.5-58.30000111.3Q46 N51 Y55 Y160Q46-T53 PolarHBondContact NE2-O 3.33Å; N51-T53 WeakPolarHBondContact OD1-CB 3.37Å; N51-T53 PolarHBondContact OD1-N 2.93Å; N51-T53 PolarHBondContact OD1-OG1 3.06Å; T53-Y55 HydrophobicContact CG2-CD1 4.37Å; T53-Y55 HydrophobicContact CG2-CE1 4.03Å; T53-Y55 HydrophobicContact CG2-CE2 4.24Å; T53-Y55 VanDerWaalsContact O-CD2 3.22Å; T53-Y55 WeakPolarHBondContact O-CD2 2.85Å; T53-Y55 PolarHBondContact O-N 2.88Å; T53-Y160 HydrophobicContact CG2-CD1 3.75Å; T53-Y160 HydrophobicContact CG2-CE1 3.71Å
54D94.2Very high95.2Very high104 Ų10470 Ų7056%0.55635%0.352SS*.  trans-76.596.4173-175.817.4000111.1Q52 K56 Y160Q52-D54 PolarHBondContact O-N 2.97Å; D54-K56 VanDerWaalsContact C-N 3.27Å; D54-K56 WeakPolarHBondContact OD1-CB 3.4Å; D54-K56 PolarHBondContact OD1-N 3.32Å; D54-Y160 PolarHBondContact O-OH 3.05Å
55Y94.9Very high95.3Very high48 Ų4865.6 Ų65.619%0.18833%0.33CS..  trans-82.92.3174.6-66-70.3000113.4V42 N51 T53 P57 L58 L59 Y160V42-Y55 HydrophobicContact CG1-CD2 4.08Å; N51-Y55 PolarHBondContact ND2-OH 2.9Å; T53-Y55 HydrophobicContact CG2-CD1 4.37Å; T53-Y55 HydrophobicContact CG2-CE1 4.03Å; T53-Y55 HydrophobicContact CG2-CE2 4.24Å; T53-Y55 VanDerWaalsContact O-CD2 3.22Å; T53-Y55 WeakPolarHBondContact O-CD2 2.85Å; T53-Y55 PolarHBondContact O-N 2.88Å; Y55-P57 VanDerWaalsContact C-CD 3.49Å; Y55-P57 VanDerWaalsContact C-N 3.34Å; Y55-L58 HydrophobicContact CD1-CD2 4.44Å; Y55-L58 WeakPolarHBondContact O-CB 3.31Å; Y55-L58 PolarHBondContact O-N 2.94Å; Y55-L59 WeakPolarHBondContact O-CG 3.42Å; Y55-L59 PolarHBondContact O-N 3.07Å; Y55-Y160 AromaticContact CD1-CD1 4Å; Y55-Y160 HydrophobicContact CD1-CD1 4Å; Y55-Y160 HydrophobicContact CD1-CD2 4.13Å; Y55-Y160 HydrophobicContact CD1-CE1 4.32Å; Y55-Y160 HydrophobicContact CD1-CE2 4.48Å; Y55-Y160 AromaticContact CD1-CG 3.9Å; Y55-Y160 HydrophobicContact CD1-CG 3.9Å; Y55-Y160 AromaticContact CE1-CD1 3.9Å; Y55-Y160 HydrophobicContact CE1-CD1 3.9Å; Y55-Y160 AromaticContact CE1-CG 3.85Å; Y55-Y160 HydrophobicContact CE1-CG 3.85Å
56K93.2Very high95.3Very high84 Ų8464.1 Ų64.137%0.36532%0.317SS..Hα-helixtrans-51.3-45.4-176.6-172.4-170.3-170.6-440113.1D54 L58 L59 D60D54-K56 VanDerWaalsContact C-N 3.27Å; D54-K56 WeakPolarHBondContact OD1-CB 3.4Å; D54-K56 PolarHBondContact OD1-N 3.32Å; K56-L58 VanDerWaalsContact C-N 3.27Å; K56-L58 PolarHBondContact O-N 3.29Å; K56-L59 PolarHBondContact O-N 3.15Å; K56-D60 IonicContact NZ-OD1 2.85Å; K56-D60 PolarHBondContact NZ-OD1 3.47Å; K56-D60 IonicContact NZ-OD2 2.6Å; K56-D60 PolarHBondContact NZ-OD2 2.95Å; K56-D60 WeakPolarHBondContact O-CB 3.37Å; K56-D60 PolarHBondContact O-N 3.3Å
57P95Very high95.3Very high46 Ų4663.6 Ų63.630%0.29932%0.315SS..Hα-helixtrans-58-36.9177.4-26.236.1000114Y55 A61 L156 Y160Y55-P57 VanDerWaalsContact C-CD 3.49Å; Y55-P57 VanDerWaalsContact C-N 3.34Å; P57-A61 WeakPolarHBondContact O-CB 3.43Å; P57-A61 PolarHBondContact O-N 2.71Å; P57-L156 HydrophobicContact CB-CD1 4.35Å; P57-L156 HydrophobicContact CB-CD2 4.3Å; P57-L156 VanDerWaalsContact O-CD1 3.31Å; P57-L156 WeakPolarHBondContact O-CD1 3.38Å; P57-Y160 WeakPolarHBondContact CD-OH 3.27Å
58L95.5Very high95.4Very high11 Ų1157.5 Ų57.56%0.05828%0.283CS..Hα-helixtrans-70.8-44.6176.9175.761.4000111Y55 K56 A61 I62 L156 I157 Y160 L166Y55-L58 HydrophobicContact CD1-CD2 4.44Å; Y55-L58 WeakPolarHBondContact O-CB 3.31Å; Y55-L58 PolarHBondContact O-N 2.94Å; K56-L58 VanDerWaalsContact C-N 3.27Å; K56-L58 PolarHBondContact O-N 3.29Å; L58-A61 PolarHBondContact O-N 2.62Å; L58-I62 HydrophobicContact CD1-CD1 3.78Å; L58-I62 HydrophobicContact CD1-CG1 4.16Å; L58-I62 HydrophobicContact CG-CD1 3.85Å; L58-I62 VanDerWaalsContact O-CG1 3.3Å; L58-I62 WeakPolarHBondContact O-CG1 3.35Å; L58-I62 PolarHBondContact O-N 2.85Å; L58-L156 HydrophobicContact CB-CB 4.25Å; L58-L156 HydrophobicContact CB-CD1 4.46Å; L58-L156 HydrophobicContact CD1-CB 3.75Å; L58-I157 HydrophobicContact CD1-CG1 3.85Å; L58-I157 HydrophobicContact CD2-CG1 4.47Å; L58-Y160 HydrophobicContact CB-CD2 4.03Å; L58-Y160 HydrophobicContact CB-CE2 3.81Å; L58-Y160 HydrophobicContact CD2-CD2 4.1Å; L58-L166 HydrophobicContact CD2-CD2 4.01Å
59L94.7Very high95.3Very high18 Ų1850.6 Ų50.69%0.09425%0.251CS..Hα-helixtrans-67.3-37.1-179.1-60.6169.3000112.3F38 V42 Y55 K56 G63F38-L59 HydrophobicContact CB-CB 4.32Å; F38-L59 HydrophobicContact CB-CD2 4.05Å; V42-L59 HydrophobicContact CB-CD1 3.8Å; V42-L59 HydrophobicContact CG1-CD1 4.15Å; V42-L59 HydrophobicContact CG2-CD1 3.81Å; V42-L59 HydrophobicContact CG2-CD2 3.59Å; V42-L59 HydrophobicContact CG2-CG 4.32Å; Y55-L59 WeakPolarHBondContact O-CG 3.42Å; Y55-L59 PolarHBondContact O-N 3.07Å; K56-L59 PolarHBondContact O-N 3.15Å; L59-G63 PolarHBondContact O-N 2.86Å
60D95Very high95.3Very high32 Ų3249.8 Ų49.817%0.17124%0.242CC..Hα-helixtrans-62.5-46.8173-73.8-6.9000110.8L31 K56 G63 L64L31-D60 HydrophobicContact CD2-CB 3.49Å; L31-D60 VanDerWaalsContact CD2-CB 3.49Å; K56-D60 IonicContact NZ-OD1 2.85Å; K56-D60 PolarHBondContact NZ-OD1 3.47Å; K56-D60 IonicContact NZ-OD2 2.6Å; K56-D60 PolarHBondContact NZ-OD2 2.95Å; K56-D60 WeakPolarHBondContact O-CB 3.37Å; K56-D60 PolarHBondContact O-N 3.3Å; D60-G63 PolarHBondContact O-N 3.35Å; D60-L64 PolarHBondContact O-N 3.44Å
61A96.2Very high95.3Very high7 Ų740.2 Ų40.26%0.05820%0.198CC..Hα-helixtrans-62.9-45.2178.800000112.1P57 L58 G63 L64 F65 R152 L156P57-A61 WeakPolarHBondContact O-CB 3.43Å; P57-A61 PolarHBondContact O-N 2.71Å; L58-A61 PolarHBondContact O-N 2.62Å; A61-G63 VanDerWaalsContact C-N 3.34Å; A61-L64 PolarHBondContact O-N 3.1Å; A61-F65 VanDerWaalsContact O-CB 3.3Å; A61-F65 WeakPolarHBondContact O-CB 3.49Å; A61-F65 PolarHBondContact O-N 3.16Å; A61-R152 HydrophobicContact CB-CG 4.15Å; A61-L156 HydrophobicContact CB-CD1 3.97Å
62I95.5Very high95.4Very high21 Ų2137.2 Ų37.211%0.10818%0.181CC..Hα-helixtrans-63.9-41.5175.4-66.5169.8000110.6F38 L58 F65 Y66 L166 I170F38-I62 HydrophobicContact CD2-CG2 4.26Å; F38-I62 HydrophobicContact CE2-CG2 3.85Å; F38-I62 HydrophobicContact CZ-CG2 4.35Å; L58-I62 HydrophobicContact CD1-CD1 3.78Å; L58-I62 HydrophobicContact CD1-CG1 4.16Å; L58-I62 HydrophobicContact CG-CD1 3.85Å; L58-I62 VanDerWaalsContact O-CG1 3.3Å; L58-I62 WeakPolarHBondContact O-CG1 3.35Å; L58-I62 PolarHBondContact O-N 2.85Å; I62-F65 PolarHBondContact O-N 3.33Å; I62-Y66 VanDerWaalsContact O-CB 3.27Å; I62-Y66 WeakPolarHBondContact O-CB 3.3Å; I62-Y66 PolarHBondContact O-N 2.91Å; I62-L166 HydrophobicContact CD1-CD1 4.15Å; I62-L166 HydrophobicContact CD1-CD2 4.22Å; I62-I170 HydrophobicContact CG1-CD1 4.03Å
63G94.9Very high95.4Very high0 Ų031.1 Ų31.10%015%0.153CC..Hα-helixtrans-58.7-46.9177.300000113.2T34 L59 D60 A61 Q67T34-G63 VanDerWaalsContact OG1-C 3.27Å; T34-G63 WeakPolarHBondContact OG1-CA 3.44Å; T34-G63 PolarHBondContact OG1-O 3.16Å; L59-G63 PolarHBondContact O-N 2.86Å; D60-G63 PolarHBondContact O-N 3.35Å; A61-G63 VanDerWaalsContact C-N 3.34Å; G63-Q67 PolarHBondContact O-N 3.25Å
64L96.6Very high95.3Very high16 Ų1628.5 Ų28.58%0.08414%0.137CC..Hα-helixtrans-65.7-47.8175.5-77.4168.5000111.8E27 V30 L31 D60 A61 Y66 Q67 I68 L149E27-L64 HydrophobicContact CB-CD2 3.88Å; E27-L64 HydrophobicContact CG-CD2 3.89Å; V30-L64 HydrophobicContact CB-CD2 3.88Å; V30-L64 HydrophobicContact CG1-CD2 3.81Å; V30-L64 HydrophobicContact CG1-CG 4.44Å; L31-L64 HydrophobicContact CD1-CD1 4.45Å; L31-L64 HydrophobicContact CD2-CD1 3.83Å; L31-L64 HydrophobicContact CD2-CD2 4.4Å; L31-L64 HydrophobicContact CD2-CG 3.74Å; L31-L64 HydrophobicContact CG-CD1 4.2Å; L31-L64 HydrophobicContact CG-CD2 4.31Å; L31-L64 HydrophobicContact CG-CG 4.16Å; D60-L64 PolarHBondContact O-N 3.44Å; A61-L64 PolarHBondContact O-N 3.1Å; L64-Y66 VanDerWaalsContact C-N 3.34Å; L64-Y66 PolarHBondContact O-N 3.45Å; L64-Q67 PolarHBondContact O-N 2.94Å; L64-I68 WeakPolarHBondContact O-CB 3.46Å; L64-I68 WeakPolarHBondContact O-CG1 3.48Å; L64-I68 PolarHBondContact O-N 2.97Å; L64-L149 HydrophobicContact CB-CD1 4.15Å; L64-L149 HydrophobicContact CB-CD2 4.09Å; L64-L149 HydrophobicContact CD1-CD2 4.5Å
65F97.1Very high95.2Very high0 Ų023.5 Ų23.50%011%0.11CC..Hα-helixtrans-56.3-49.2178.2176.3-110.5000111.4A61 I62 Q67 R69 L146 L149 E150 I170 L173 T174 H177A61-F65 VanDerWaalsContact O-CB 3.3Å; A61-F65 WeakPolarHBondContact O-CB 3.49Å; A61-F65 PolarHBondContact O-N 3.16Å; I62-F65 PolarHBondContact O-N 3.33Å; F65-Q67 PolarHBondContact O-N 3.24Å; F65-R69 WeakPolarHBondContact O-CB 3.37Å; F65-R69 PolarHBondContact O-N 3.14Å; F65-L146 HydrophobicContact CD2-CD2 3.85Å; F65-L146 HydrophobicContact CE2-CB 4.43Å; F65-L146 HydrophobicContact CE2-CD2 3.94Å; F65-L149 HydrophobicContact CB-CB 4.1Å; F65-L149 HydrophobicContact CD2-CB 4.04Å; F65-E150 HydrophobicContact CE2-CB 4.14Å; F65-I170 HydrophobicContact CD1-CD1 4.36Å; F65-L173 HydrophobicContact CE1-CB 3.69Å; F65-L173 HydrophobicContact CE1-CD1 4.09Å; F65-L173 HydrophobicContact CZ-CB 4.14Å; F65-T174 HydrophobicContact CZ-CG2 4.44Å; F65-H177 AromaticContact CE2-CE1 3.68Å; F65-H177 AromaticContact CZ-CE1 3.91Å
66Y95.4Very high94.9Very high107 Ų10722 Ų2242%0.4211%0.106SC..Hα-helixtrans-63.3-44.4-178-171-93.7000112.5I62 L64 R69 D70 L173I62-Y66 VanDerWaalsContact O-CB 3.27Å; I62-Y66 WeakPolarHBondContact O-CB 3.3Å; I62-Y66 PolarHBondContact O-N 2.91Å; L64-Y66 VanDerWaalsContact C-N 3.34Å; L64-Y66 PolarHBondContact O-N 3.45Å; Y66-R69 PolarHBondContact O-N 3.32Å; Y66-D70 PolarHBondContact O-N 2.87Å; Y66-L173 HydrophobicContact CD2-CD1 4.41Å
67Q95.8Very high94.2Very high16 Ų1619.8 Ų19.88%0.07510%0.098CC..Hα-helixtrans-68.9-46.2-179.1-172.662.464.100112.1Y26 V30 T34 G63 L64 F65 R69 D70 D71Y26-Q67 WeakPolarHBondContact OH-CG 3.08Å; V30-Q67 HydrophobicContact CB-CG 4.42Å; V30-Q67 HydrophobicContact CG1-CB 3.48Å; V30-Q67 VanDerWaalsContact CG1-CB 3.48Å; V30-Q67 HydrophobicContact CG1-CG 3.86Å; V30-Q67 HydrophobicContact CG2-CB 4.19Å; V30-Q67 HydrophobicContact CG2-CG 3.68Å; T34-Q67 HydrophobicContact CG2-CB 4.14Å; G63-Q67 PolarHBondContact O-N 3.25Å; L64-Q67 PolarHBondContact O-N 2.94Å; F65-Q67 PolarHBondContact O-N 3.24Å; Q67-R69 PolarHBondContact O-N 3.26Å; Q67-D70 PolarHBondContact O-N 3.32Å; Q67-D71 PolarHBondContact NE2-OD1 3.02Å; Q67-D71 WeakPolarHBondContact O-CB 3.29Å; Q67-D71 PolarHBondContact O-N 3.21Å
68I97.4Very high93.1Very high0 Ų020.5 Ų20.50%010%0.104CC..Hα-helixtrans-63.7-34.5178.2-66177.3000110.4Y26 L64 Y72 Y97 T142 K145 L146 L149Y26-I68 HydrophobicContact CE1-CD1 4.36Å; Y26-I68 HydrophobicContact CE1-CG1 3.94Å; L64-I68 WeakPolarHBondContact O-CB 3.46Å; L64-I68 WeakPolarHBondContact O-CG1 3.48Å; L64-I68 PolarHBondContact O-N 2.97Å; I68-Y72 WeakPolarHBondContact O-CB 3.43Å; I68-Y72 PolarHBondContact O-N 3.02Å; I68-Y97 HydrophobicContact CB-CG 4.49Å; I68-Y97 HydrophobicContact CD1-CD2 3.63Å; I68-Y97 HydrophobicContact CD1-CE2 3.78Å; I68-Y97 HydrophobicContact CD1-CG 4.03Å; I68-Y97 HydrophobicContact CG1-CD2 3.89Å; I68-Y97 HydrophobicContact CG1-CG 3.92Å; I68-Y97 HydrophobicContact CG2-CD1 3.81Å; I68-Y97 HydrophobicContact CG2-CE1 4.38Å; I68-Y97 HydrophobicContact CG2-CG 3.9Å; I68-T142 HydrophobicContact CG2-CG2 3.81Å; I68-K145 HydrophobicContact CD1-CG 3.95Å; I68-L146 HydrophobicContact CB-CD2 4.1Å; I68-L146 HydrophobicContact CG2-CD2 3.8Å; I68-L146 HydrophobicContact CG2-CG 4.03Å; I68-L149 HydrophobicContact CD1-CD1 3.78Å
69R96Very high91.6Very high47 Ų4722.2 Ų22.218%0.17712%0.117CC..Hα-helixtrans-65.3-44.6174.8-174.6-166.7170-75.3-2.1111.7F65 Y66 Q67 Y72 A73 L146 L173 L176F65-R69 WeakPolarHBondContact O-CB 3.37Å; F65-R69 PolarHBondContact O-N 3.14Å; Y66-R69 PolarHBondContact O-N 3.32Å; Q67-R69 PolarHBondContact O-N 3.26Å; R69-Y72 PolarHBondContact O-N 3.04Å; R69-A73 WeakPolarHBondContact O-CB 3.46Å; R69-A73 PolarHBondContact O-N 3.27Å; R69-L146 HydrophobicContact CB-CD2 3.89Å; R69-L173 WeakPolarHBondContact CD-O 3.21Å; R69-L173 PolarHBondContact NE-O 2.93Å; R69-L176 HydrophobicContact CG-CD2 3.45Å; R69-L176 VanDerWaalsContact CG-CD2 3.45Å; R69-L176 WeakPolarHBondContact O-CD2 3.37Å
70D94.5Very high89.9Confident38 Ų3823 Ų2320%0.20312%0.119CC..Hα-helixtrans-62.7-44.5176.7-17560.5000111.3Y66 Q67 Y72 A73 N74 Y80Y66-D70 PolarHBondContact O-N 2.87Å; Q67-D70 PolarHBondContact O-N 3.32Å; D70-Y72 VanDerWaalsContact C-N 3.34Å; D70-Y72 PolarHBondContact O-N 3.47Å; D70-A73 PolarHBondContact O-N 3.48Å; D70-N74 WeakPolarHBondContact O-CB 3.2Å; D70-N74 PolarHBondContact O-N 3.41Å; D70-Y80 PolarHBondContact OD1-OH 2.96Å
71D96.2Very high88.4Confident0 Ų022.8 Ų22.80%012%0.117CC..Hα-helixtrans-59.9-41.1175.3-77.217.6000112.4Y26 Q67 N74 K94 S96 Y97Y26-D71 PolarHBondContact OH-OD2 3.2Å; Q67-D71 PolarHBondContact NE2-OD1 3.02Å; Q67-D71 WeakPolarHBondContact O-CB 3.29Å; Q67-D71 PolarHBondContact O-N 3.21Å; D71-N74 WeakPolarHBondContact O-CB 3.32Å; D71-K94 IonicContact OD1-NZ 3.56Å; D71-K94 PolarHBondContact OD1-NZ 3.11Å; D71-S96 WeakPolarHBondContact OD2-CA 3.49Å; D71-S96 VanDerWaalsContact OD2-CB 3.27Å; D71-S96 WeakPolarHBondContact OD2-CB 3.34Å; D71-Y97 PolarHBondContact OD2-N 2.97Å
72Y96.4Very high86.7Confident2 Ų231.5 Ų31.51%0.00815%0.148CC..Hα-helixtrans-67.1-48.1174.7-174.3-114.7000111.7I68 R69 D70 N74 L75 V76 L139 T142 V143 L146 L176 I187I68-Y72 WeakPolarHBondContact O-CB 3.43Å; I68-Y72 PolarHBondContact O-N 3.02Å; R69-Y72 PolarHBondContact O-N 3.04Å; D70-Y72 VanDerWaalsContact C-N 3.34Å; D70-Y72 PolarHBondContact O-N 3.47Å; Y72-N74 PolarHBondContact O-N 2.99Å; Y72-L75 PolarHBondContact O-N 3.22Å; Y72-V76 HydrophobicContact CD1-CG2 3.78Å; Y72-V76 HydrophobicContact CD2-CG1 4.44Å; Y72-V76 HydrophobicContact CD2-CG2 4.39Å; Y72-V76 HydrophobicContact CE1-CG2 3.46Å; Y72-V76 VanDerWaalsContact CE1-CG2 3.46Å; Y72-V76 HydrophobicContact CE2-CG1 3.95Å; Y72-V76 HydrophobicContact CE2-CG2 4.11Å; Y72-V76 HydrophobicContact CG-CG2 4.24Å; Y72-V76 WeakPolarHBondContact O-CG2 3.39Å; Y72-V76 PolarHBondContact O-N 3.05Å; Y72-V76 VanDerWaalsContact O-N 3.17Å; Y72-L139 HydrophobicContact CD2-CD2 4.4Å; Y72-L139 HydrophobicContact CE2-CB 4.17Å; Y72-L139 HydrophobicContact CE2-CD2 4.2Å; Y72-T142 HydrophobicContact CD2-CG2 3.72Å; Y72-T142 HydrophobicContact CG-CG2 4.03Å; Y72-V143 HydrophobicContact CE1-CG2 4.05Å; Y72-V143 HydrophobicContact CE2-CG2 4.06Å; Y72-V143 WeakPolarHBondContact OH-CG2 3.34Å; Y72-L146 HydrophobicContact CD1-CD1 4.22Å; Y72-L146 HydrophobicContact CG-CD1 4.38Å; Y72-L176 HydrophobicContact CD1-CD2 3.78Å; Y72-L176 HydrophobicContact CD1-CG 3.94Å; Y72-L176 HydrophobicContact CE1-CG 4.31Å; Y72-I187 VanDerWaalsContact OH-CG1 3.28Å; Y72-I187 WeakPolarHBondContact OH-CG1 3.37Å
73A93.7Very high85Confident0 Ų039.7 Ų39.70%018%0.183CC..Hα-helixtrans-58.2-37.7179.400000112.2R69 D70 L75 V76 D77 Y80 L176R69-A73 WeakPolarHBondContact O-CB 3.46Å; R69-A73 PolarHBondContact O-N 3.27Å; D70-A73 PolarHBondContact O-N 3.48Å; A73-L75 PolarHBondContact O-N 3.49Å; A73-L75 VanDerWaalsContact O-N 3.14Å; A73-V76 PolarHBondContact O-N 2.82Å; A73-D77 HydrophobicContact CB-CB 4.18Å; A73-D77 WeakPolarHBondContact O-CB 3.43Å; A73-D77 PolarHBondContact O-N 3.12Å; A73-Y80 HydrophobicContact CB-CD2 4.09Å; A73-Y80 HydrophobicContact CB-CE2 4.35Å; A73-Y80 HydrophobicContact CB-CG 4.41Å; A73-L176 HydrophobicContact CB-CD1 4.21Å; A73-L176 HydrophobicContact CB-CD2 3.77Å
74N93.6Very high83.4Confident1 Ų144 Ų441%0.00520%0.202CC..Hα-helixtrans-53.2-34.3176.4-170.4-84.1000112.5D70 D71 Y72 Y80 H81 A87 E88 D89D70-N74 WeakPolarHBondContact O-CB 3.2Å; D70-N74 PolarHBondContact O-N 3.41Å; D71-N74 WeakPolarHBondContact O-CB 3.32Å; Y72-N74 PolarHBondContact O-N 2.99Å; N74-Y80 HydrophobicContact CB-CE1 4.31Å; N74-H81 PolarHBondContact O-NE2 3.48Å; N74-A87 WeakPolarHBondContact O-CA 3.4Å; N74-A87 PolarHBondContact O-N 3.41Å; N74-A87 WeakPolarHBondContact OD1-CA 3.46Å; N74-E88 PolarHBondContact OD1-N 3.21Å; N74-E88 VanDerWaalsContact OD1-N 3.17Å; N74-D89 PolarHBondContact ND2-OD1 3.26Å; N74-D89 WeakPolarHBondContact OD1-CB 3.39Å; N74-D89 PolarHBondContact OD1-N 3.19Å
75L92.3Very high82.5Confident0 Ų047.1 Ų47.10%022%0.222CC..Hα-helixtrans-93.9-34.5-176.5-59.5-180000113.8Y72 A73 A87 L90 P98 V130 M133 L139Y72-L75 PolarHBondContact O-N 3.22Å; A73-L75 PolarHBondContact O-N 3.49Å; A73-L75 VanDerWaalsContact O-N 3.14Å; L75-A87 HydrophobicContact CD2-CB 3.87Å; L75-L90 HydrophobicContact CD2-CG 4.42Å; L75-P98 HydrophobicContact CD1-CB 3.79Å; L75-P98 HydrophobicContact CD1-CG 3.92Å; L75-V130 HydrophobicContact CB-CG2 4.39Å; L75-V130 HydrophobicContact CD2-CG2 4.15Å; L75-M133 HydrophobicContact CD1-CE 3.6Å; L75-M133 HydrophobicContact CD1-SD 4.31Å; L75-M133 HydrophobicContact CD2-CE 4.25Å; L75-M133 HydrophobicContact CG-CE 4.5Å; L75-L139 HydrophobicContact CD1-CD2 4.31Å
76V88.1Confident81.9Confident17 Ų1747.9 Ų47.910%0.10323%0.225CC..Hα-helixtrans-116.4-19-168-53.40000115.9Y72 A73 S78 L139 I187Y72-V76 HydrophobicContact CD1-CG2 3.78Å; Y72-V76 HydrophobicContact CD2-CG1 4.44Å; Y72-V76 HydrophobicContact CD2-CG2 4.39Å; Y72-V76 HydrophobicContact CE1-CG2 3.46Å; Y72-V76 VanDerWaalsContact CE1-CG2 3.46Å; Y72-V76 HydrophobicContact CE2-CG1 3.95Å; Y72-V76 HydrophobicContact CE2-CG2 4.11Å; Y72-V76 HydrophobicContact CG-CG2 4.24Å; Y72-V76 WeakPolarHBondContact O-CG2 3.39Å; Y72-V76 PolarHBondContact O-N 3.05Å; Y72-V76 VanDerWaalsContact O-N 3.17Å; A73-V76 PolarHBondContact O-N 2.82Å; V76-S78 PolarHBondContact O-N 3.01Å; V76-L139 HydrophobicContact CG1-CD1 3.95Å; V76-L139 HydrophobicContact CG1-CD2 4.36Å; V76-I187 HydrophobicContact CB-CD1 4.26Å; V76-I187 HydrophobicContact CB-CG1 4.03Å; V76-I187 HydrophobicContact CG1-CG1 4.08Å; V76-I187 HydrophobicContact CG2-CG1 4.33Å
77D79.1Confident81.6Confident36 Ų3642.8 Ų42.819%0.19321%0.205CC..  trans-90103.2-171.1-1773000111.8A73 S79 Y80 H81 L176A73-D77 HydrophobicContact CB-CB 4.18Å; A73-D77 WeakPolarHBondContact O-CB 3.43Å; A73-D77 PolarHBondContact O-N 3.12Å; D77-S79 VanDerWaalsContact CG-OG 3.22Å; D77-S79 PolarHBondContact O-N 3.12Å; D77-S79 VanDerWaalsContact O-N 3.13Å; D77-S79 WeakPolarHBondContact OD1-CA 3.4Å; D77-S79 VanDerWaalsContact OD1-CB 3.27Å; D77-S79 WeakPolarHBondContact OD1-CB 3.49Å; D77-S79 PolarHBondContact OD1-N 2.76Å; D77-S79 PolarHBondContact OD1-OG 3.5Å; D77-S79 PolarHBondContact OD2-OG 3.39Å; D77-S79 VanDerWaalsContact OD2-OG 3.05Å; D77-Y80 WeakPolarHBondContact O-CA 3.36Å; D77-Y80 WeakPolarHBondContact O-CB 3.12Å; D77-Y80 PolarHBondContact O-N 3.32Å; D77-Y80 PolarHBondContact OD1-N 3.18Å; D77-H81 PolarHBondContact O-CE1 3.35Å; D77-H81 PolarHBondContact O-N 3.4Å; D77-H81 PolarHBondContact O-ND1 2.8Å; D77-L176 HydrophobicContact CB-CD1 4Å
78S71.5Confident81.4Confident61 Ų6144.8 Ų44.843%0.42721%0.214SC..THydrogen-bonded Turntrans-58.3-25.8175.9660000113.6V76 R82V76-S78 PolarHBondContact O-N 3.01Å; S78-R82 PolarHBondContact O-N 2.64Å; S78-R82 PolarHBondContact O-NH1 2.88Å
79S64.4Low81.3Confident47 Ų4745.1 Ų45.133%0.32922%0.216SC..THydrogen-bonded Turntrans-75.8-31.717582.10000112.6D77 R82D77-S79 VanDerWaalsContact CG-OG 3.22Å; D77-S79 PolarHBondContact O-N 3.12Å; D77-S79 VanDerWaalsContact O-N 3.13Å; D77-S79 WeakPolarHBondContact OD1-CA 3.4Å; D77-S79 VanDerWaalsContact OD1-CB 3.27Å; D77-S79 WeakPolarHBondContact OD1-CB 3.49Å; D77-S79 PolarHBondContact OD1-N 2.76Å; D77-S79 PolarHBondContact OD1-OG 3.5Å; D77-S79 PolarHBondContact OD2-OG 3.39Å; D77-S79 VanDerWaalsContact OD2-OG 3.05Å; S79-R82 VanDerWaalsContact CB-NH2 3.32Å; S79-R82 PolarHBondContact O-N 3.41Å
80Y59.1Low81.3Confident35 Ų3542.9 Ų42.914%0.13721%0.208CC..THydrogen-bonded Turntrans-66.7-41.1171.3-163.6-91.3000110.5D70 A73 N74 D77 R82 K83 K84D70-Y80 PolarHBondContact OD1-OH 2.96Å; A73-Y80 HydrophobicContact CB-CD2 4.09Å; A73-Y80 HydrophobicContact CB-CE2 4.35Å; A73-Y80 HydrophobicContact CB-CG 4.41Å; N74-Y80 HydrophobicContact CB-CE1 4.31Å; D77-Y80 WeakPolarHBondContact O-CA 3.36Å; D77-Y80 WeakPolarHBondContact O-CB 3.12Å; D77-Y80 PolarHBondContact O-N 3.32Å; D77-Y80 PolarHBondContact OD1-N 3.18Å; Y80-R82 PolarHBondContact O-N 3.42Å; Y80-K83 PolarHBondContact O-N 2.86Å; Y80-K84 HydrophobicContact CD1-CB 4.34Å; Y80-K84 HydrophobicContact CD1-CD 4.36Å; Y80-K84 HydrophobicContact CE1-CB 4.27Å; Y80-K84 HydrophobicContact CE1-CD 3.57Å; Y80-K84 HydrophobicContact CE1-CG 4.18Å; Y80-K84 PolarHBondContact O-N 3.33Å; Y80-K84 WeakPolarHBondContact OH-CE 3.31Å; Y80-K84 PolarHBondContact OH-NZ 3.08Å
81H62.2Low81.2Confident28 Ų2842.7 Ų42.713%0.1321%0.208CC..THydrogen-bonded Turntrans-69.7-11.3176.8-51.5144.3000114.9N74 D77 K84 F86 Y194N74-H81 PolarHBondContact O-NE2 3.48Å; D77-H81 PolarHBondContact O-CE1 3.35Å; D77-H81 PolarHBondContact O-N 3.4Å; D77-H81 PolarHBondContact O-ND1 2.8Å; H81-K84 CarbonylContact C-O 3.5Å; H81-K84 VanDerWaalsContact CA-O 3.25Å; H81-K84 WeakPolarHBondContact CA-O 3.37Å; H81-F86 AromaticContact CD2-CD2 3.98Å; H81-F86 AromaticContact CE1-CD2 3.33Å; H81-F86 WeakPolarHBondContact CE1-CD2 3.27Å; H81-F86 AromaticContact CE1-CE2 3.7Å; H81-F86 AromaticContact CG-CD2 3.92Å; H81-F86 AromaticContact ND1-CD2 3.52Å; H81-F86 AromaticContact NE2-CD2 3.6Å; H81-Y194 PolarHBondContact CE1-OH 3.25Å; H81-Y194 AromaticContact ND1-CZ 3.87Å; H81-Y194 PolarHBondContact ND1-OH 3.04Å
82R60.3Low81.1Confident189 Ų18946.4 Ų46.471%0.71323%0.225SC*.THydrogen-bonded Turntrans-79.5-23.6168.4-72.3-169-64-85.46.6112.6S78 S79 Y80S78-R82 PolarHBondContact O-N 2.64Å; S78-R82 PolarHBondContact O-NH1 2.88Å; S79-R82 VanDerWaalsContact CB-NH2 3.32Å; S79-R82 PolarHBondContact O-N 3.41Å; Y80-R82 PolarHBondContact O-N 3.42Å
83K59.5Low81Confident194 Ų19446.3 Ų46.384%0.84323%0.225SC*.THydrogen-bonded Turntrans-100.3-29-179.7-64.6-177.3-1781760112.5Y80Y80-K83 PolarHBondContact O-N 2.86Å
84K62.2Low81.1Confident91 Ų9147 Ų4740%0.39623%0.228SC..SBendtrans-125.9169.3177.3-62.8-158.8-173.7177.30110.4Y80 H81 E88Y80-K84 HydrophobicContact CD1-CB 4.34Å; Y80-K84 HydrophobicContact CD1-CD 4.36Å; Y80-K84 HydrophobicContact CE1-CB 4.27Å; Y80-K84 HydrophobicContact CE1-CD 3.57Å; Y80-K84 HydrophobicContact CE1-CG 4.18Å; Y80-K84 PolarHBondContact O-N 3.33Å; Y80-K84 WeakPolarHBondContact OH-CE 3.31Å; Y80-K84 PolarHBondContact OH-NZ 3.08Å; H81-K84 CarbonylContact C-O 3.5Å; H81-K84 VanDerWaalsContact CA-O 3.25Å; H81-K84 WeakPolarHBondContact CA-O 3.37Å; K84-E88 WeakPolarHBondContact CD-OE2 3.33Å
85T77.1Confident81.3Confident81 Ų8147 Ų4750%0.49723%0.228SC..  trans-70.2150.2173.360.80000111.2A87T85-A87 PolarHBondContact O-N 3.36Å
86F85.3Confident81.5Confident16 Ų1647 Ų477%0.0723%0.228CC..THydrogen-bonded Turntrans-58.1129.6176171.5-120.9000111.1H81 E88 K126 L127 V130 Y194H81-F86 AromaticContact CD2-CD2 3.98Å; H81-F86 AromaticContact CE1-CD2 3.33Å; H81-F86 WeakPolarHBondContact CE1-CD2 3.27Å; H81-F86 AromaticContact CE1-CE2 3.7Å; H81-F86 AromaticContact CG-CD2 3.92Å; H81-F86 AromaticContact ND1-CD2 3.52Å; H81-F86 AromaticContact NE2-CD2 3.6Å; F86-E88 VanDerWaalsContact C-N 3.33Å; F86-E88 PolarHBondContact O-N 2.97Å; F86-K126 HydrophobicContact CD1-CB 3.85Å; F86-K126 HydrophobicContact CD1-CD 4.11Å; F86-K126 HydrophobicContact CE1-CB 3.53Å; F86-K126 HydrophobicContact CZ-CB 4.5Å; F86-K126 WeakPolarHBondContact O-CD 2.95Å; F86-K126 PolarHBondContact O-NZ 2.84Å; F86-L127 HydrophobicContact CE1-CB 4.02Å; F86-L127 HydrophobicContact CZ-CB 4.3Å; F86-L127 HydrophobicContact CZ-CD1 4.25Å; F86-V130 HydrophobicContact CZ-CG2 4.16Å; F86-Y194 HydrophobicContact CD2-CE2 4.46Å; F86-Y194 AromaticContact CE2-CE2 3.93Å; F86-Y194 HydrophobicContact CE2-CE2 3.93Å; F86-Y194 HydrophobicContact CZ-CE2 4.24Å
87A89.1Confident82Confident0 Ų046.3 Ų46.30%022%0.224CC..THydrogen-bonded Turntrans44.255176.900000113N74 L75 T85 D89 L90 K126 V130N74-A87 WeakPolarHBondContact O-CA 3.4Å; N74-A87 PolarHBondContact O-N 3.41Å; N74-A87 WeakPolarHBondContact OD1-CA 3.46Å; L75-A87 HydrophobicContact CD2-CB 3.87Å; T85-A87 PolarHBondContact O-N 3.36Å; A87-D89 PolarHBondContact O-N 3.44Å; A87-L90 HydrophobicContact CB-CD1 3.88Å; A87-L90 HydrophobicContact CB-CG 4.22Å; A87-L90 WeakPolarHBondContact O-CB 3.41Å; A87-L90 PolarHBondContact O-N 2.95Å; A87-L90 VanDerWaalsContact O-N 3.11Å; A87-K126 HydrophobicContact CB-CB 4.29Å; A87-K126 HydrophobicContact CB-CD 4.31Å; A87-V130 HydrophobicContact CB-CG2 4.42Å
88E92.3Very high82.9Confident58 Ų5844.6 Ų44.627%0.27122%0.215SC..Hα-helixtrans-57.5-33.4-179.8-173.2170-14700111.9N74 K84 F86 L90 T91 E92N74-E88 PolarHBondContact OD1-N 3.21Å; N74-E88 VanDerWaalsContact OD1-N 3.17Å; K84-E88 WeakPolarHBondContact CD-OE2 3.33Å; F86-E88 VanDerWaalsContact C-N 3.33Å; F86-E88 PolarHBondContact O-N 2.97Å; E88-L90 PolarHBondContact O-N 3.47Å; E88-T91 WeakPolarHBondContact O-CA 3.38Å; E88-T91 VanDerWaalsContact O-CB 3.26Å; E88-T91 WeakPolarHBondContact O-CB 3.48Å; E88-T91 PolarHBondContact O-N 3.16Å; E88-E92 HydrophobicContact CG-CG 4.34Å; E88-E92 PolarHBondContact O-N 3.22Å
89D94.6Very high84.2Confident7 Ų741.7 Ų41.74%0.03719%0.194CC..Hα-helixtrans-59.3-33.2178.2-76.16.6000111.9N74 A87 G93 K94 S96N74-D89 PolarHBondContact ND2-OD1 3.26Å; N74-D89 WeakPolarHBondContact OD1-CB 3.39Å; N74-D89 PolarHBondContact OD1-N 3.19Å; A87-D89 PolarHBondContact O-N 3.44Å; D89-G93 PolarHBondContact O-N 2.96Å; D89-K94 HydrophobicContact CB-CB 4.22Å; D89-K94 HydrophobicContact CB-CD 4.49Å; D89-K94 PolarHBondContact O-N 3.42Å; D89-K94 IonicContact OD1-NZ 3.51Å; D89-K94 PolarHBondContact OD1-NZ 3.48Å; D89-K94 IonicContact OD2-NZ 3.16Å; D89-K94 PolarHBondContact OD2-NZ 3.42Å; D89-S96 WeakPolarHBondContact OD2-CB 3.44Å
90L95.2Very high85.8Confident0 Ų039.5 Ų39.50%018%0.179CC..Hα-helixtrans-71.1-31.5173.7-65178.2000112.7L75 A87 E88 I99 L116 K126 C129 V130L75-L90 HydrophobicContact CD2-CG 4.42Å; A87-L90 HydrophobicContact CB-CD1 3.88Å; A87-L90 HydrophobicContact CB-CG 4.22Å; A87-L90 WeakPolarHBondContact O-CB 3.41Å; A87-L90 PolarHBondContact O-N 2.95Å; A87-L90 VanDerWaalsContact O-N 3.11Å; E88-L90 PolarHBondContact O-N 3.47Å; L90-I99 HydrophobicContact CD2-CD1 3.71Å; L90-I99 HydrophobicContact CD2-CG1 4.39Å; L90-L116 HydrophobicContact CD2-CD1 3.97Å; L90-K126 HydrophobicContact CB-CG 4.31Å; L90-K126 HydrophobicContact CD1-CB 4Å; L90-K126 HydrophobicContact CD1-CG 4.12Å; L90-C129 HydrophobicContact CD1-CB 3.8Å; L90-V130 HydrophobicContact CD1-CG2 4.3Å
91T94.2Very high87.6Confident34 Ų3439.7 Ų39.721%0.20918%0.179CC..Hα-helixtrans-71.6-44.2175.6-44.80000109.8E88 G93 H119 T120 T121 K126E88-T91 WeakPolarHBondContact O-CA 3.38Å; E88-T91 VanDerWaalsContact O-CB 3.26Å; E88-T91 WeakPolarHBondContact O-CB 3.48Å; E88-T91 PolarHBondContact O-N 3.16Å; T91-G93 PolarHBondContact O-N 3.46Å; T91-H119 VanDerWaalsContact O-CA 3.28Å; T91-H119 WeakPolarHBondContact O-CA 3.38Å; T91-H119 WeakPolarHBondContact O-CB 3.28Å; T91-H119 PolarHBondContact O-ND1 2.8Å; T91-H119 VanDerWaalsContact O-ND1 3.15Å; T91-T120 PolarHBondContact OG1-O 2.72Å; T91-T121 HydrophobicContact CG2-CG2 3.94Å; T91-K126 WeakPolarHBondContact OG1-CE 3.35Å; T91-K126 PolarHBondContact OG1-NZ 2.86Å
92E93.5Very high89.3Confident77 Ų7738.4 Ų38.436%0.3617%0.173SC..Hα-helixtrans-67.5-22.9177.4-69.5-164.6-17300112.3R15 E88 K94 H119R15-E92 WeakPolarHBondContact CD-O 3.45Å; R15-E92 IonicContact NH1-OE2 3.04Å; E88-E92 HydrophobicContact CG-CG 4.34Å; E88-E92 PolarHBondContact O-N 3.22Å; E92-K94 VanDerWaalsContact C-N 3.32Å; E92-K94 HydrophobicContact CB-CB 4.24Å; E92-H119 PolarHBondContact O-CE1 3.41Å; E92-H119 PolarHBondContact O-ND1 3.42Å; E92-H119 VanDerWaalsContact O-ND1 3.15Å
93G94.6Very high91.1Very high1 Ų130.4 Ų30.41%0.0114%0.144CC..THydrogen-bonded Turntrans74.626.2-170.900000112.3R15 D89 T91R15-G93 WeakPolarHBondContact CG-O 3.47Å; D89-G93 PolarHBondContact O-N 2.96Å; T91-G93 PolarHBondContact O-N 3.46Å
94K95.9Very high92.9Very high15 Ų1524.2 Ų24.27%0.06512%0.121CC..  trans-79.1134.4-175.2177.9-179.4157.3-138.80110.5D71 D89 E92 S96 I99D71-K94 IonicContact OD1-NZ 3.56Å; D71-K94 PolarHBondContact OD1-NZ 3.11Å; D89-K94 HydrophobicContact CB-CB 4.22Å; D89-K94 HydrophobicContact CB-CD 4.49Å; D89-K94 PolarHBondContact O-N 3.42Å; D89-K94 IonicContact OD1-NZ 3.51Å; D89-K94 PolarHBondContact OD1-NZ 3.48Å; D89-K94 IonicContact OD2-NZ 3.16Å; D89-K94 PolarHBondContact OD2-NZ 3.42Å; E92-K94 VanDerWaalsContact C-N 3.32Å; E92-K94 HydrophobicContact CB-CB 4.24Å; K94-S96 VanDerWaalsContact C-N 3.25Å; K94-S96 PolarHBondContact O-N 3.27Å; K94-I99 WeakPolarHBondContact O-CD1 3.47Å
95F97.1Very high94.5Very high1 Ų122.9 Ų22.90%0.00412%0.118CC..  trans-80.573171.9-69.6-78.5000110.6W14 C20 P21 I99 V100 I103 M113 L116W14-F95 HydrophobicContact CB-CD2 3.85Å; W14-F95 HydrophobicContact CB-CE2 4.28Å; W14-F95 VanDerWaalsContact O-CE2 3.28Å; W14-F95 WeakPolarHBondContact O-CE2 3.04Å; C20-F95 HydrophobicContact CB-CD1 3.95Å; C20-F95 HydrophobicContact CB-CE1 3.69Å; C20-F95 HydrophobicContact CB-CZ 4.45Å; P21-F95 HydrophobicContact CG-CB 4.26Å; F95-I99 HydrophobicContact CD1-CG2 4.26Å; F95-V100 HydrophobicContact CB-CG2 3.83Å; F95-V100 WeakPolarHBondContact O-CG2 3.31Å; F95-I103 HydrophobicContact CD1-CD1 4.12Å; F95-I103 HydrophobicContact CE1-CD1 3.8Å; F95-M113 HydrophobicContact CE1-CE 4.24Å; F95-M113 HydrophobicContact CE1-SD 3.78Å; F95-M113 HydrophobicContact CZ-CE 3.85Å; F95-M113 HydrophobicContact CZ-SD 3.94Å; F95-L116 HydrophobicContact CD1-CD2 3.77Å; F95-L116 HydrophobicContact CE1-CD2 3.49Å; F95-L116 VanDerWaalsContact CE1-CD2 3.49Å; F95-L116 HydrophobicContact CE2-CD2 4.33Å; F95-L116 HydrophobicContact CG-CD2 4.3Å; F95-L116 HydrophobicContact CZ-CD2 3.8Å
96S97.3Very high95.4Very high0 Ų023.9 Ų23.90%011%0.113CC..  trans-71159.4175.375.90000111.5D71 D89 K94 I99 V100D71-S96 WeakPolarHBondContact OD2-CA 3.49Å; D71-S96 VanDerWaalsContact OD2-CB 3.27Å; D71-S96 WeakPolarHBondContact OD2-CB 3.34Å; D89-S96 WeakPolarHBondContact OD2-CB 3.44Å; K94-S96 VanDerWaalsContact C-N 3.25Å; K94-S96 PolarHBondContact O-N 3.27Å; S96-I99 WeakPolarHBondContact O-CA 3.39Å; S96-I99 WeakPolarHBondContact O-CB 3.44Å; S96-I99 PolarHBondContact O-N 2.84Å; S96-I99 VanDerWaalsContact OG-CD1 3.27Å; S96-I99 WeakPolarHBondContact OG-CD1 3.46Å; S96-I99 WeakPolarHBondContact OG-CG1 3.42Å; S96-V100 WeakPolarHBondContact O-CG2 3.15Å; S96-V100 PolarHBondContact O-N 2.93Å
97Y98.3Very high95.8Very high2 Ų227.6 Ų27.61%0.00814%0.139CC..Hα-helixtrans-51.7-47.7-173.6-174.3-90.1000114.1E23 Y26 I68 D71 I99 V100 R101 T142 K145E23-Y97 HydrophobicContact CG-CE2 3.98Å; E23-Y97 PolarHBondContact OE1-OH 3.38Å; Y26-Y97 AromaticContact CD1-CD2 3.73Å; Y26-Y97 HydrophobicContact CD1-CD2 3.73Å; Y26-Y97 AromaticContact CE1-CD2 3.57Å; Y26-Y97 HydrophobicContact CE1-CD2 3.57Å; Y26-Y97 HydrophobicContact CE1-CG 4.2Å; I68-Y97 HydrophobicContact CB-CG 4.49Å; I68-Y97 HydrophobicContact CD1-CD2 3.63Å; I68-Y97 HydrophobicContact CD1-CE2 3.78Å; I68-Y97 HydrophobicContact CD1-CG 4.03Å; I68-Y97 HydrophobicContact CG1-CD2 3.89Å; I68-Y97 HydrophobicContact CG1-CG 3.92Å; I68-Y97 HydrophobicContact CG2-CD1 3.81Å; I68-Y97 HydrophobicContact CG2-CE1 4.38Å; I68-Y97 HydrophobicContact CG2-CG 3.9Å; D71-Y97 PolarHBondContact OD2-N 2.97Å; Y97-I99 VanDerWaalsContact C-N 3.3Å; Y97-I99 PolarHBondContact O-N 3.29Å; Y97-V100 PolarHBondContact O-N 2.81Å; Y97-R101 HydrophobicContact CD1-CG 4.02Å; Y97-R101 HydrophobicContact CE1-CG 3.59Å; Y97-R101 WeakPolarHBondContact O-CG 3.4Å; Y97-R101 PolarHBondContact O-N 2.86Å; Y97-T142 HydrophobicContact CD1-CG2 3.86Å; Y97-T142 HydrophobicContact CE1-CG2 4.34Å; Y97-K145 HydrophobicContact CE1-CB 3.99Å; Y97-K145 HydrophobicContact CE1-CG 4.08Å; Y97-K145 HydrophobicContact CE2-CG 4.27Å; Y97-K145 WeakPolarHBondContact OH-CD 3.41Å; Y97-K145 WeakPolarHBondContact OH-CG 3.28Å
98P97.9Very high96.1Very high0 Ų035.1 Ų35.10%018%0.179CC..Hα-helixtrans-63.8-34.6177.4-2134000113.4L75 R101 A102 A138 L139 T142L75-P98 HydrophobicContact CD1-CB 3.79Å; L75-P98 HydrophobicContact CD1-CG 3.92Å; P98-R101 PolarHBondContact O-N 2.82Å; P98-A102 WeakPolarHBondContact O-CB 2.98Å; P98-A102 PolarHBondContact O-N 2.97Å; P98-A138 WeakPolarHBondContact O-CB 3.42Å; P98-L139 HydrophobicContact CB-CD2 3.97Å; P98-T142 HydrophobicContact CG-CG2 4.04Å
99I98Very high96.3Very high0 Ų034.2 Ų34.20%018%0.176CC..Hα-helixtrans-68.2-44.7176.8-67.3170.6000110.2L90 K94 F95 S96 Y97 R101 A102 I103 V112 L116 M133L90-I99 HydrophobicContact CD2-CD1 3.71Å; L90-I99 HydrophobicContact CD2-CG1 4.39Å; K94-I99 WeakPolarHBondContact O-CD1 3.47Å; F95-I99 HydrophobicContact CD1-CG2 4.26Å; S96-I99 WeakPolarHBondContact O-CA 3.39Å; S96-I99 WeakPolarHBondContact O-CB 3.44Å; S96-I99 PolarHBondContact O-N 2.84Å; S96-I99 VanDerWaalsContact OG-CD1 3.27Å; S96-I99 WeakPolarHBondContact OG-CD1 3.46Å; S96-I99 WeakPolarHBondContact OG-CG1 3.42Å; Y97-I99 VanDerWaalsContact C-N 3.3Å; Y97-I99 PolarHBondContact O-N 3.29Å; I99-R101 VanDerWaalsContact C-N 3.3Å; I99-R101 PolarHBondContact O-N 2.89Å; I99-A102 PolarHBondContact O-N 3.42Å; I99-I103 HydrophobicContact CG2-CD1 3.76Å; I99-I103 WeakPolarHBondContact O-CG1 3.38Å; I99-I103 PolarHBondContact O-N 3.09Å; I99-V112 HydrophobicContact CG2-CG1 4.02Å; I99-L116 HydrophobicContact CD1-CD1 3.96Å; I99-L116 HydrophobicContact CG2-CD1 4.5Å; I99-L116 HydrophobicContact CG2-CD2 3.83Å; I99-M133 HydrophobicContact CB-SD 4.5Å; I99-M133 HydrophobicContact CG1-CE 4.38Å; I99-M133 HydrophobicContact CG1-SD 3.71Å
100V98.1Very high96.3Very high0 Ų038.4 Ų38.40%020%0.199CC..Hα-helixtrans-58.2-43.4175.1171.10000110.8P21 Y26 F95 S96 Y97 N104P21-V100 HydrophobicContact CG-CG2 3.87Å; P21-V100 WeakPolarHBondContact O-CG1 3.39Å; Y26-V100 HydrophobicContact CD2-CG2 4.19Å; F95-V100 HydrophobicContact CB-CG2 3.83Å; F95-V100 WeakPolarHBondContact O-CG2 3.31Å; S96-V100 WeakPolarHBondContact O-CG2 3.15Å; S96-V100 PolarHBondContact O-N 2.93Å; Y97-V100 PolarHBondContact O-N 2.81Å; V100-N104 WeakPolarHBondContact CG1-ND2 3.27Å; V100-N104 VanDerWaalsContact O-CB 3.31Å; V100-N104 WeakPolarHBondContact O-CB 3.38Å; V100-N104 PolarHBondContact O-N 2.92Å; V100-N104 PolarHBondContact O-ND2 2.85Å
101R97.5Very high96.4Very high39 Ų3941.7 Ų41.715%0.14721%0.214CC..Hα-helixtrans-63.5-49.4175.4-69.6-53.3-55.2-134.9-3.9111.7E23 Y97 P98 I99 I103 N104 D105 A138E23-R101 IonicContact OE2-CZ 3.95Å; E23-R101 IonicContact OE2-NH1 3.25Å; E23-R101 PolarHBondContact OE2-NH1 3.46Å; Y97-R101 HydrophobicContact CD1-CG 4.02Å; Y97-R101 HydrophobicContact CE1-CG 3.59Å; Y97-R101 WeakPolarHBondContact O-CG 3.4Å; Y97-R101 PolarHBondContact O-N 2.86Å; P98-R101 PolarHBondContact O-N 2.82Å; I99-R101 VanDerWaalsContact C-N 3.3Å; I99-R101 PolarHBondContact O-N 2.89Å; R101-I103 VanDerWaalsContact C-N 3.3Å; R101-I103 PolarHBondContact O-N 3.44Å; R101-N104 PolarHBondContact O-N 2.78Å; R101-D105 IonicContact CZ-OD1 2.82Å; R101-D105 IonicContact CZ-OD2 3.32Å; R101-D105 IonicContact NE-OD1 3.47Å; R101-D105 IonicContact NE-OD2 2.64Å; R101-D105 PolarHBondContact NE-OD2 2.69Å; R101-D105 VanDerWaalsContact NH2-CG 3.33Å; R101-D105 IonicContact NH2-OD1 2.89Å; R101-D105 PolarHBondContact NH2-OD1 3.35Å; R101-D105 VanDerWaalsContact NH2-OD1 3.16Å; R101-D105 IonicContact NH2-OD2 3.66Å; R101-D105 PolarHBondContact NH2-OD2 3.21Å; R101-D105 WeakPolarHBondContact O-CB 3.47Å; R101-D105 PolarHBondContact O-N 3.32Å; R101-A138 HydrophobicContact CB-CB 4.14Å
102A97.8Very high96.6Very high1 Ų140.1 Ų40.11%0.00820%0.204CC..Hα-helixtrans-58.3-40.8-179.100000112.7P98 I99 V112 M133 L136 A138P98-A102 WeakPolarHBondContact O-CB 2.98Å; P98-A102 PolarHBondContact O-N 2.97Å; I99-A102 PolarHBondContact O-N 3.42Å; A102-V112 HydrophobicContact CB-CG1 4.45Å; A102-V112 HydrophobicContact CB-CG2 4.03Å; A102-M133 HydrophobicContact CB-CG 3.8Å; A102-M133 HydrophobicContact CB-SD 4.34Å; A102-L136 HydrophobicContact CB-CD1 4.21Å; A102-A138 HydrophobicContact CB-CB 3.73Å
103I97.6Very high96.7Very high21 Ų2138.3 Ų38.311%0.10820%0.196CC..Hα-helixtrans-76.1-45.1-179.2-65167000111.9C20 F95 I99 R101 Y106 V112 M113C20-I103 HydrophobicContact CB-CB 4.44Å; C20-I103 HydrophobicContact CB-CD1 4.41Å; C20-I103 HydrophobicContact CB-CG2 3.78Å; F95-I103 HydrophobicContact CD1-CD1 4.12Å; F95-I103 HydrophobicContact CE1-CD1 3.8Å; I99-I103 HydrophobicContact CG2-CD1 3.76Å; I99-I103 WeakPolarHBondContact O-CG1 3.38Å; I99-I103 PolarHBondContact O-N 3.09Å; R101-I103 VanDerWaalsContact C-N 3.3Å; R101-I103 PolarHBondContact O-N 3.44Å; I103-Y106 CarbonylContact O-C 3.54Å; I103-V112 HydrophobicContact CD1-CG1 4.17Å; I103-V112 HydrophobicContact CG1-CB 4.11Å; I103-V112 HydrophobicContact CG1-CG1 3.98Å; I103-M113 HydrophobicContact CD1-CB 4.41Å; I103-M113 HydrophobicContact CD1-SD 3.8Å
104N97.1Very high96.8Very high64 Ų6442.4 Ų42.434%0.34222%0.218SC..Hα-helixtrans-76-33.8-175.3-72.5-30.1000113.2P21 V100 R101 Y106P21-N104 PolarHBondContact O-ND2 3.37Å; V100-N104 WeakPolarHBondContact CG1-ND2 3.27Å; V100-N104 VanDerWaalsContact O-CB 3.31Å; V100-N104 WeakPolarHBondContact O-CB 3.38Å; V100-N104 PolarHBondContact O-N 2.92Å; V100-N104 PolarHBondContact O-ND2 2.85Å; R101-N104 PolarHBondContact O-N 2.78Å; N104-Y106 VanDerWaalsContact C-N 3.31Å
105D96.5Very high96.8Very high64 Ų6442 Ų4234%0.34222%0.217SC..Hα-helixtrans-76.8-22.5-179.4-64-21.5000111.6R101R101-D105 IonicContact CZ-OD1 2.82Å; R101-D105 IonicContact CZ-OD2 3.32Å; R101-D105 IonicContact NE-OD1 3.47Å; R101-D105 IonicContact NE-OD2 2.64Å; R101-D105 PolarHBondContact NE-OD2 2.69Å; R101-D105 VanDerWaalsContact NH2-CG 3.33Å; R101-D105 IonicContact NH2-OD1 2.89Å; R101-D105 PolarHBondContact NH2-OD1 3.35Å; R101-D105 VanDerWaalsContact NH2-OD1 3.16Å; R101-D105 IonicContact NH2-OD2 3.66Å; R101-D105 PolarHBondContact NH2-OD2 3.21Å; R101-D105 WeakPolarHBondContact O-CB 3.47Å; R101-D105 PolarHBondContact O-N 3.32Å
106Y96.3Very high96.8Very high101 Ų10142.1 Ų42.140%0.39622%0.217SC..  trans-132.267.6-177.5-58.2-88000111.7I103 N104 D108 D109 L136I103-Y106 CarbonylContact O-C 3.54Å; N104-Y106 VanDerWaalsContact C-N 3.31Å; Y106-D108 PolarHBondContact O-N 2.87Å; Y106-D108 VanDerWaalsContact O-N 3.12Å; Y106-D109 WeakPolarHBondContact O-CB 3.49Å; Y106-D109 PolarHBondContact O-N 3.3Å; Y106-L136 HydrophobicContact CD1-CD2 3.85Å; Y106-L136 HydrophobicContact CD2-CB 3.88Å; Y106-L136 HydrophobicContact CD2-CD1 4.18Å; Y106-L136 HydrophobicContact CD2-CD2 3.95Å; Y106-L136 HydrophobicContact CD2-CG 4.22Å; Y106-L136 HydrophobicContact CE1-CD2 4.17Å; Y106-L136 HydrophobicContact CE2-CB 3.78Å; Y106-L136 HydrophobicContact CE2-CD2 4.29Å; Y106-L136 WeakPolarHBondContact CE2-O 3.33Å; Y106-L136 HydrophobicContact CG-CD1 4.41Å; Y106-L136 HydrophobicContact CG-CD2 3.73Å; Y106-L136 HydrophobicContact CG-CG 4.45Å; Y106-L136 PolarHBondContact OH-O 3.17Å
107P93.6Very high96.6Very high94 Ų9444.5 Ų44.561%0.6123%0.234SC*.THydrogen-bonded Turntrans-65.3-19.1-172.727-36.3000114.6D109P107-D109 VanDerWaalsContact C-N 3.32Å
108D94.8Very high96.5Very high159 Ų15949.5 Ų49.585%0.8526%0.257SS*.THydrogen-bonded Turntrans-81.5-13.2175.2-62.5-42.6000112.5Y106Y106-D108 PolarHBondContact O-N 2.87Å; Y106-D108 VanDerWaalsContact O-N 3.12Å
109D95.9Very high96.4Very high38 Ų3853.2 Ų53.220%0.20327%0.274CS..  trans-93.8105.2176.9-166-60.3000111.3Y106 P107 Q111 H132Y106-D109 WeakPolarHBondContact O-CB 3.49Å; Y106-D109 PolarHBondContact O-N 3.3Å; P107-D109 VanDerWaalsContact C-N 3.32Å; D109-Q111 VanDerWaalsContact OD1-CB 3.28Å; D109-Q111 WeakPolarHBondContact OD1-CB 3.49Å; D109-Q111 WeakPolarHBondContact OD1-CG 3.2Å; D109-Q111 PolarHBondContact OD1-N 2.84Å; D109-H132 IonicContact OD1-CD2 3.27Å; D109-H132 IonicContact OD1-CE1 3.61Å; D109-H132 IonicContact OD1-NE2 3.97Å; D109-H132 PolarHBondContact OD1-NE2 2.97Å; D109-H132 IonicContact OD2-CE1 2.83Å; D109-H132 PolarHBondContact OD2-CE1 3.37Å; D109-H132 IonicContact OD2-NE2 2.86Å; D109-H132 PolarHBondContact OD2-NE2 3Å
110N95.4Very high96.2Very high95 Ų9554 Ų5451%0.50828%0.28SS..  trans-89.60.1-179.3-67.2-69.3000113.6M113 N114N110-M113 PolarHBondContact O-N 2.9Å; N110-N114 VanDerWaalsContact O-CB 3.23Å; N110-N114 WeakPolarHBondContact O-CB 3.39Å; N110-N114 PolarHBondContact O-N 2.79Å; N110-N114 PolarHBondContact O-ND2 2.84Å
111Q97.3Very high95.9Very high69 Ų6959.4 Ų59.432%0.32231%0.313SS..Hα-helixtrans-66.8-46.4-169.7-60.5-172.310.300112.1D109 M113 N114 I115 Y128 H132D109-Q111 VanDerWaalsContact OD1-CB 3.28Å; D109-Q111 WeakPolarHBondContact OD1-CB 3.49Å; D109-Q111 WeakPolarHBondContact OD1-CG 3.2Å; D109-Q111 PolarHBondContact OD1-N 2.84Å; Q111-M113 VanDerWaalsContact C-N 3.34Å; Q111-M113 PolarHBondContact O-N 3.39Å; Q111-N114 PolarHBondContact O-N 2.64Å; Q111-I115 VanDerWaalsContact O-CG1 3.3Å; Q111-I115 WeakPolarHBondContact O-CG1 3.42Å; Q111-I115 PolarHBondContact O-N 3.42Å; Q111-Y128 PolarHBondContact OE1-OH 2.95Å; Q111-H132 PolarHBondContact OE1-CE1 3.2Å; Q111-H132 PolarHBondContact OE1-ND1 2.94Å; Q111-H132 PolarHBondContact OE1-NE2 3.32Å
112V97.3Very high95.7Very high1 Ų161.4 Ų61.41%0.00633%0.326CS..Hα-helixtrans-60.3-47.5178.6-178.90000110.1I99 A102 I103 N114 I115 L116 M133 L136I99-V112 HydrophobicContact CG2-CG1 4.02Å; A102-V112 HydrophobicContact CB-CG1 4.45Å; A102-V112 HydrophobicContact CB-CG2 4.03Å; I103-V112 HydrophobicContact CD1-CG1 4.17Å; I103-V112 HydrophobicContact CG1-CB 4.11Å; I103-V112 HydrophobicContact CG1-CG1 3.98Å; V112-N114 PolarHBondContact O-N 2.95Å; V112-I115 PolarHBondContact O-N 2.97Å; V112-L116 VanDerWaalsContact O-CB 3.28Å; V112-L116 WeakPolarHBondContact O-CB 3.44Å; V112-L116 PolarHBondContact O-N 3.02Å; V112-M133 HydrophobicContact CG1-CG 4.42Å; V112-M133 HydrophobicContact CG1-SD 4.3Å; V112-M133 HydrophobicContact CG2-CG 3.9Å; V112-L136 HydrophobicContact CG2-CD1 4.36Å
113M96.2Very high95.3Very high39 Ų3964.1 Ų64.119%0.19235%0.345CS..Hα-helixtrans-61.7-44.8179.1-167.668.4178.700112.1F18 F95 I103 N110 Q111 I115 L116 S117F18-M113 HydrophobicContact CB-CE 3.84Å; F18-M113 WeakPolarHBondContact O-CE 3.5Å; F95-M113 HydrophobicContact CE1-CE 4.24Å; F95-M113 HydrophobicContact CE1-SD 3.78Å; F95-M113 HydrophobicContact CZ-CE 3.85Å; F95-M113 HydrophobicContact CZ-SD 3.94Å; I103-M113 HydrophobicContact CD1-CB 4.41Å; I103-M113 HydrophobicContact CD1-SD 3.8Å; N110-M113 PolarHBondContact O-N 2.9Å; Q111-M113 VanDerWaalsContact C-N 3.34Å; Q111-M113 PolarHBondContact O-N 3.39Å; M113-I115 PolarHBondContact O-N 3.34Å; M113-L116 PolarHBondContact O-N 3.45Å; M113-S117 PolarHBondContact O-N 3.3Å
114N96.4Very high95Very high87 Ų8767.4 Ų67.447%0.46537%0.37SS..Hα-helixtrans-63.4-41.5178.9-74.2-20.9000111.8N110 Q111 V112 S117 Q118N110-N114 VanDerWaalsContact O-CB 3.23Å; N110-N114 WeakPolarHBondContact O-CB 3.39Å; N110-N114 PolarHBondContact O-N 2.79Å; N110-N114 PolarHBondContact O-ND2 2.84Å; Q111-N114 PolarHBondContact O-N 2.64Å; V112-N114 PolarHBondContact O-N 2.95Å; N114-S117 PolarHBondContact O-OG 2.93Å; N114-Q118 WeakPolarHBondContact O-CG 3.49Å; N114-Q118 PolarHBondContact O-NE2 3.12Å; N114-Q118 VanDerWaalsContact O-NE2 3.1Å
115I96.7Very high94.8Very high8 Ų866.5 Ų66.54%0.04137%0.365CS..Hα-helixtrans-69.5-43.1177.3-65.5167.7000110.6Q111 V112 M113 S117 Q118 T120 L125 Y128 C129Q111-I115 VanDerWaalsContact O-CG1 3.3Å; Q111-I115 WeakPolarHBondContact O-CG1 3.42Å; Q111-I115 PolarHBondContact O-N 3.42Å; V112-I115 PolarHBondContact O-N 2.97Å; M113-I115 PolarHBondContact O-N 3.34Å; I115-S117 VanDerWaalsContact C-N 3.25Å; I115-S117 PolarHBondContact O-N 3.01Å; I115-Q118 WeakPolarHBondContact O-CB 3.39Å; I115-Q118 PolarHBondContact O-N 2.93Å; I115-Q118 VanDerWaalsContact O-N 3.09Å; I115-T120 HydrophobicContact CG2-CG2 4.16Å; I115-L125 HydrophobicContact CD1-CD1 3.99Å; I115-L125 HydrophobicContact CG1-CD1 4.02Å; I115-L125 HydrophobicContact CG1-CG 4.36Å; I115-L125 HydrophobicContact CG2-CD2 4.4Å; I115-L125 HydrophobicContact CG2-CG 4.02Å; I115-Y128 HydrophobicContact CD1-CD1 3.69Å; I115-Y128 HydrophobicContact CD1-CE1 4.03Å; I115-C129 HydrophobicContact CB-CB 4.44Å; I115-C129 HydrophobicContact CD1-CB 3.76Å; I115-C129 HydrophobicContact CG2-CB 3.96Å
116L96.2Very high94.7Very high2 Ų263.8 Ų63.81%0.0135%0.35CS..Hα-helixtrans-57.9-40.2178.4-165.968.3000111.8L90 F95 I99 V112 M113 Q118 H119L90-L116 HydrophobicContact CD2-CD1 3.97Å; F95-L116 HydrophobicContact CD1-CD2 3.77Å; F95-L116 HydrophobicContact CE1-CD2 3.49Å; F95-L116 VanDerWaalsContact CE1-CD2 3.49Å; F95-L116 HydrophobicContact CE2-CD2 4.33Å; F95-L116 HydrophobicContact CG-CD2 4.3Å; F95-L116 HydrophobicContact CZ-CD2 3.8Å; I99-L116 HydrophobicContact CD1-CD1 3.96Å; I99-L116 HydrophobicContact CG2-CD1 4.5Å; I99-L116 HydrophobicContact CG2-CD2 3.83Å; V112-L116 VanDerWaalsContact O-CB 3.28Å; V112-L116 WeakPolarHBondContact O-CB 3.44Å; V112-L116 PolarHBondContact O-N 3.02Å; M113-L116 PolarHBondContact O-N 3.45Å; L116-Q118 PolarHBondContact O-N 3.42Å; L116-H119 PolarHBondContact O-N 2.96Å
117S94.9Very high94.6Very high50 Ų5060.6 Ų60.635%0.3534%0.34SS..THydrogen-bonded Turntrans-67.3-17179.575.10000114.8M113 N114 I115 H119M113-S117 PolarHBondContact O-N 3.3Å; N114-S117 PolarHBondContact O-OG 2.93Å; I115-S117 VanDerWaalsContact C-N 3.25Å; I115-S117 PolarHBondContact O-N 3.01Å; S117-H119 VanDerWaalsContact C-N 3.33Å; S117-H119 PolarHBondContact O-CD2 3.27Å
118Q95.8Very high94.6Very high108 Ų10861.8 Ų61.851%0.50533%0.333SS..THydrogen-bonded Turntrans-82.1-12.2-179-70.4170.451.100113.2N114 I115 L116 T120N114-Q118 WeakPolarHBondContact O-CG 3.49Å; N114-Q118 PolarHBondContact O-NE2 3.12Å; N114-Q118 VanDerWaalsContact O-NE2 3.1Å; I115-Q118 WeakPolarHBondContact O-CB 3.39Å; I115-Q118 PolarHBondContact O-N 2.93Å; I115-Q118 VanDerWaalsContact O-N 3.09Å; L116-Q118 PolarHBondContact O-N 3.42Å; Q118-T120 PolarHBondContact O-N 3.45Å; Q118-T120 VanDerWaalsContact O-N 3.13Å
119H94.3Very high94.7Very high77 Ų7754.2 Ų54.236%0.35629%0.292SS..THydrogen-bonded Turntrans48.839.8-174-64.1-79.7000112.1F18 T91 E92 L116 S117F18-H119 AromaticContact CE1-NE2 4Å; F18-H119 AromaticContact CZ-NE2 3.85Å; T91-H119 VanDerWaalsContact O-CA 3.28Å; T91-H119 WeakPolarHBondContact O-CA 3.38Å; T91-H119 WeakPolarHBondContact O-CB 3.28Å; T91-H119 PolarHBondContact O-ND1 2.8Å; T91-H119 VanDerWaalsContact O-ND1 3.15Å; E92-H119 PolarHBondContact O-CE1 3.41Å; E92-H119 PolarHBondContact O-ND1 3.42Å; E92-H119 VanDerWaalsContact O-ND1 3.15Å; L116-H119 PolarHBondContact O-N 2.96Å; S117-H119 VanDerWaalsContact C-N 3.33Å; S117-H119 PolarHBondContact O-CD2 3.27Å
120T94.1Very high94.7Very high18 Ų1852.4 Ų52.411%0.1128%0.283CS..  trans-69.6137.3-165.6-173.80000111.9T91 I115 Q118 N122 L125 K126T91-T120 PolarHBondContact OG1-O 2.72Å; I115-T120 HydrophobicContact CG2-CG2 4.16Å; Q118-T120 PolarHBondContact O-N 3.45Å; Q118-T120 VanDerWaalsContact O-N 3.13Å; T120-N122 WeakPolarHBondContact OG1-CB 2.99Å; T120-N122 PolarHBondContact OG1-N 3.27Å; T120-N122 VanDerWaalsContact OG1-N 3.12Å; T120-L125 HydrophobicContact CG2-CB 4.36Å; T120-L125 HydrophobicContact CG2-CD2 3.89Å; T120-L125 HydrophobicContact CG2-CG 4.16Å; T120-K126 HydrophobicContact CG2-CG 4.19Å; T120-K126 WeakPolarHBondContact O-CE 3.43Å
121T93.2Very high94.6Very high113 Ų11350.7 Ų50.769%0.69327%0.271SS*.  trans-92.2-6.3169.156.90000112.3T91 S123T91-T121 HydrophobicContact CG2-CG2 3.94Å; T121-S123 PolarHBondContact O-N 2.97Å
122N92Very high94.6Very high81 Ų8148.3 Ų48.343%0.43326%0.259SS..  trans-73.1114.7-175.6-177.9-46.9000111.7T120 S124 L125 K126T120-N122 WeakPolarHBondContact OG1-CB 2.99Å; T120-N122 PolarHBondContact OG1-N 3.27Å; T120-N122 VanDerWaalsContact OG1-N 3.12Å; N122-S124 VanDerWaalsContact C-N 3.34Å; N122-S124 PolarHBondContact O-N 2.63Å; N122-S124 WeakPolarHBondContact OD1-CA 3.44Å; N122-S124 VanDerWaalsContact OD1-CB 3.32Å; N122-S124 WeakPolarHBondContact OD1-CB 3.42Å; N122-S124 PolarHBondContact OD1-N 3.34Å; N122-L125 HydrophobicContact CB-CB 4.14Å; N122-L125 PolarHBondContact O-N 2.96Å; N122-L125 PolarHBondContact OD1-N 3.13Å; N122-K126 WeakPolarHBondContact O-CG 3.5Å; N122-K126 PolarHBondContact O-N 3.04Å
123S90.4Very high94.6Very high58 Ų5848.2 Ų48.241%0.40626%0.259SS..Hα-helixtrans-59.7-37.1-179.2-59.40000114T121 K126 L127T121-S123 PolarHBondContact O-N 2.97Å; S123-K126 PolarHBondContact O-N 3.07Å; S123-L127 WeakPolarHBondContact O-CB 3.48Å; S123-L127 PolarHBondContact O-N 2.85Å
124S90.9Very high94.6Very high90 Ų9047.7 Ų47.763%0.62926%0.257SS*.Hα-helixtrans-67.6-40.9178.4-490000111.6N122 L127 Y128N122-S124 VanDerWaalsContact C-N 3.34Å; N122-S124 PolarHBondContact O-N 2.63Å; N122-S124 WeakPolarHBondContact OD1-CA 3.44Å; N122-S124 VanDerWaalsContact OD1-CB 3.32Å; N122-S124 WeakPolarHBondContact OD1-CB 3.42Å; N122-S124 PolarHBondContact OD1-N 3.34Å; S124-L127 PolarHBondContact O-N 2.88Å; S124-Y128 WeakPolarHBondContact O-CB 3.49Å; S124-Y128 PolarHBondContact O-N 3.46Å
125L93.6Very high94.6Very high44 Ų4450.9 Ų50.923%0.2327%0.269CS..Hα-helixtrans-68.8-38.8176.9-17357.9000111.6I115 T120 N122 Y128 C129I115-L125 HydrophobicContact CD1-CD1 3.99Å; I115-L125 HydrophobicContact CG1-CD1 4.02Å; I115-L125 HydrophobicContact CG1-CG 4.36Å; I115-L125 HydrophobicContact CG2-CD2 4.4Å; I115-L125 HydrophobicContact CG2-CG 4.02Å; T120-L125 HydrophobicContact CG2-CB 4.36Å; T120-L125 HydrophobicContact CG2-CD2 3.89Å; T120-L125 HydrophobicContact CG2-CG 4.16Å; N122-L125 HydrophobicContact CB-CB 4.14Å; N122-L125 PolarHBondContact O-N 2.96Å; N122-L125 PolarHBondContact OD1-N 3.13Å; L125-Y128 HydrophobicContact CD1-CD1 4.46Å; L125-Y128 PolarHBondContact O-N 3.46Å; L125-C129 PolarHBondContact O-N 3.01Å
126K94.3Very high94.6Very high7 Ų751.4 Ų51.43%0.0327%0.272CS..Hα-helixtrans-60.3-45.7171.4-69.9174177.3-173.50111.6F86 A87 L90 T91 T120 N122 S123 Y128 C129 V130F86-K126 HydrophobicContact CD1-CB 3.85Å; F86-K126 HydrophobicContact CD1-CD 4.11Å; F86-K126 HydrophobicContact CE1-CB 3.53Å; F86-K126 HydrophobicContact CZ-CB 4.5Å; F86-K126 WeakPolarHBondContact O-CD 2.95Å; F86-K126 PolarHBondContact O-NZ 2.84Å; A87-K126 HydrophobicContact CB-CB 4.29Å; A87-K126 HydrophobicContact CB-CD 4.31Å; L90-K126 HydrophobicContact CB-CG 4.31Å; L90-K126 HydrophobicContact CD1-CB 4Å; L90-K126 HydrophobicContact CD1-CG 4.12Å; T91-K126 WeakPolarHBondContact OG1-CE 3.35Å; T91-K126 PolarHBondContact OG1-NZ 2.86Å; T120-K126 HydrophobicContact CG2-CG 4.19Å; T120-K126 WeakPolarHBondContact O-CE 3.43Å; N122-K126 WeakPolarHBondContact O-CG 3.5Å; N122-K126 PolarHBondContact O-N 3.04Å; S123-K126 PolarHBondContact O-N 3.07Å; K126-Y128 VanDerWaalsContact C-N 3.33Å; K126-Y128 PolarHBondContact O-N 3.13Å; K126-C129 WeakPolarHBondContact O-CB 3.1Å; K126-C129 PolarHBondContact O-N 3.24Å; K126-V130 WeakPolarHBondContact O-CG2 3.46Å; K126-V130 PolarHBondContact O-N 3.29Å
127L92.5Very high94.6Very high35 Ų3552 Ų5218%0.18328%0.279CS..Hα-helixtrans-64.3-41.5-179.7178.959.9000111.1F86 S123 S124 C129 V130 K131 L192 Y194F86-L127 HydrophobicContact CE1-CB 4.02Å; F86-L127 HydrophobicContact CZ-CB 4.3Å; F86-L127 HydrophobicContact CZ-CD1 4.25Å; S123-L127 WeakPolarHBondContact O-CB 3.48Å; S123-L127 PolarHBondContact O-N 2.85Å; S124-L127 PolarHBondContact O-N 2.88Å; L127-C129 VanDerWaalsContact C-N 3.34Å; L127-C129 PolarHBondContact O-N 3.26Å; L127-V130 PolarHBondContact O-N 2.87Å; L127-K131 HydrophobicContact CD1-CG 4.38Å; L127-K131 HydrophobicContact CG-CD 4.34Å; L127-K131 WeakPolarHBondContact O-CB 3.28Å; L127-K131 WeakPolarHBondContact O-CG 3.32Å; L127-K131 PolarHBondContact O-N 3.15Å; L127-L192 HydrophobicContact CD1-CB 4.15Å; L127-L192 WeakPolarHBondContact CD1-O 3.39Å; L127-Y194 HydrophobicContact CD1-CD2 4.12Å; L127-Y194 HydrophobicContact CD1-CE2 4.19Å
128Y94.2Very high94.8Very high118 Ų11849.7 Ų49.746%0.46326%0.262SS..Hα-helixtrans-56.7-47.9172.3176.8-96.5000111.4Q111 I115 S124 L125 K126 V130 K131 H132Q111-Y128 PolarHBondContact OE1-OH 2.95Å; I115-Y128 HydrophobicContact CD1-CD1 3.69Å; I115-Y128 HydrophobicContact CD1-CE1 4.03Å; S124-Y128 WeakPolarHBondContact O-CB 3.49Å; S124-Y128 PolarHBondContact O-N 3.46Å; L125-Y128 HydrophobicContact CD1-CD1 4.46Å; L125-Y128 PolarHBondContact O-N 3.46Å; K126-Y128 VanDerWaalsContact C-N 3.33Å; K126-Y128 PolarHBondContact O-N 3.13Å; Y128-V130 PolarHBondContact O-N 3.17Å; Y128-K131 PolarHBondContact O-N 3.33Å; Y128-H132 WeakPolarHBondContact O-CB 3.23Å; Y128-H132 PolarHBondContact O-N 3.06Å
129C96.5Very high94.8Very high0 Ų044.6 Ų44.60%024%0.239CC..Hα-helixtrans-60.1-42.3177.1-167.30000112.6L90 I115 L125 K126 L127 H132 M133L90-C129 HydrophobicContact CD1-CB 3.8Å; I115-C129 HydrophobicContact CB-CB 4.44Å; I115-C129 HydrophobicContact CD1-CB 3.76Å; I115-C129 HydrophobicContact CG2-CB 3.96Å; L125-C129 PolarHBondContact O-N 3.01Å; K126-C129 WeakPolarHBondContact O-CB 3.1Å; K126-C129 PolarHBondContact O-N 3.24Å; L127-C129 VanDerWaalsContact C-N 3.34Å; L127-C129 PolarHBondContact O-N 3.26Å; C129-H132 PolarHBondContact O-N 2.86Å; C129-M133 WeakPolarHBondContact O-CG 3.27Å; C129-M133 PolarHBondContact O-N 3.48Å
130V95.6Very high95Very high0 Ų045.5 Ų45.50%024%0.243CC..Hα-helixtrans-67.1-40.5178.4177.80000111.5L75 F86 A87 L90 K126 L127 Y128 H132 M133 L134 L139 L192L75-V130 HydrophobicContact CB-CG2 4.39Å; L75-V130 HydrophobicContact CD2-CG2 4.15Å; F86-V130 HydrophobicContact CZ-CG2 4.16Å; A87-V130 HydrophobicContact CB-CG2 4.42Å; L90-V130 HydrophobicContact CD1-CG2 4.3Å; K126-V130 WeakPolarHBondContact O-CG2 3.46Å; K126-V130 PolarHBondContact O-N 3.29Å; L127-V130 PolarHBondContact O-N 2.87Å; Y128-V130 PolarHBondContact O-N 3.17Å; V130-H132 VanDerWaalsContact C-N 3.35Å; V130-M133 HydrophobicContact CB-CE 4.38Å; V130-M133 HydrophobicContact CG2-CE 3.99Å; V130-M133 PolarHBondContact O-N 3.36Å; V130-L134 PolarHBondContact O-N 3.15Å; V130-L139 HydrophobicContact CG1-CD1 4.25Å; V130-L192 HydrophobicContact CG1-CD1 3.9Å; V130-L192 HydrophobicContact CG1-CD2 3.75Å
131K94.8Very high95.1Very high60 Ų6048.1 Ų48.126%0.26125%0.254SS..Hα-helixtrans-62.7-41.7173.7-74.8-179.8174.5-173.90111.7L127 Y128 L134 E135 L192 N193L127-K131 HydrophobicContact CD1-CG 4.38Å; L127-K131 HydrophobicContact CG-CD 4.34Å; L127-K131 WeakPolarHBondContact O-CB 3.28Å; L127-K131 WeakPolarHBondContact O-CG 3.32Å; L127-K131 PolarHBondContact O-N 3.15Å; Y128-K131 PolarHBondContact O-N 3.33Å; K131-L134 VanDerWaalsContact O-CB 3.31Å; K131-L134 WeakPolarHBondContact O-CB 3.43Å; K131-L134 PolarHBondContact O-N 2.98Å; K131-L134 VanDerWaalsContact O-N 3.15Å; K131-E135 WeakPolarHBondContact O-CG 3.42Å; K131-E135 PolarHBondContact O-N 2.9Å; K131-L192 HydrophobicContact CG-CB 4.43Å; K131-L192 HydrophobicContact CG-CD1 3.81Å; K131-N193 PolarHBondContact NZ-OD1 3Å
132H97Very high95.4Very high18 Ų1842.8 Ų42.88%0.08322%0.221CC..Hα-helixtrans-62.5-45.8175.4-171.155.2000112D109 Q111 Y128 C129 V130 L134 E135 L136D109-H132 IonicContact OD1-CD2 3.27Å; D109-H132 IonicContact OD1-CE1 3.61Å; D109-H132 IonicContact OD1-NE2 3.97Å; D109-H132 PolarHBondContact OD1-NE2 2.97Å; D109-H132 IonicContact OD2-CE1 2.83Å; D109-H132 PolarHBondContact OD2-CE1 3.37Å; D109-H132 IonicContact OD2-NE2 2.86Å; D109-H132 PolarHBondContact OD2-NE2 3Å; Q111-H132 PolarHBondContact OE1-CE1 3.2Å; Q111-H132 PolarHBondContact OE1-ND1 2.94Å; Q111-H132 PolarHBondContact OE1-NE2 3.32Å; Y128-H132 WeakPolarHBondContact O-CB 3.23Å; Y128-H132 PolarHBondContact O-N 3.06Å; C129-H132 PolarHBondContact O-N 2.86Å; V130-H132 VanDerWaalsContact C-N 3.35Å; H132-L134 PolarHBondContact O-N 2.82Å; H132-E135 PolarHBondContact O-N 3.27Å; H132-E135 VanDerWaalsContact O-N 3.11Å; H132-L136 WeakPolarHBondContact O-CG 3.42Å; H132-L136 PolarHBondContact O-N 3.02Å
133M97.5Very high95.6Very high0 Ų038.9 Ų38.90%020%0.2CC..Hα-helixtrans-61-30.1173.5-71.4-172.4-67.500113.2L75 I99 A102 V112 C129 V130 G137 A138L75-M133 HydrophobicContact CD1-CE 3.6Å; L75-M133 HydrophobicContact CD1-SD 4.31Å; L75-M133 HydrophobicContact CD2-CE 4.25Å; L75-M133 HydrophobicContact CG-CE 4.5Å; I99-M133 HydrophobicContact CB-SD 4.5Å; I99-M133 HydrophobicContact CG1-CE 4.38Å; I99-M133 HydrophobicContact CG1-SD 3.71Å; A102-M133 HydrophobicContact CB-CG 3.8Å; A102-M133 HydrophobicContact CB-SD 4.34Å; V112-M133 HydrophobicContact CG1-CG 4.42Å; V112-M133 HydrophobicContact CG1-SD 4.3Å; V112-M133 HydrophobicContact CG2-CG 3.9Å; C129-M133 WeakPolarHBondContact O-CG 3.27Å; C129-M133 PolarHBondContact O-N 3.48Å; V130-M133 HydrophobicContact CB-CE 4.38Å; V130-M133 HydrophobicContact CG2-CE 3.99Å; V130-M133 PolarHBondContact O-N 3.36Å; M133-G137 PolarHBondContact O-N 3.48Å; M133-A138 HydrophobicContact CB-CB 4.47Å; M133-A138 WeakPolarHBondContact O-CB 3.37Å; M133-A138 PolarHBondContact O-N 3.36Å
134L96.1Very high96Very high27 Ų2739.4 Ų39.414%0.14120%0.198CC..Hα-helixtrans-69-45.3172.617761.2000111.4V130 K131 H132 L136 G137 L139 I187 P189 L192V130-L134 PolarHBondContact O-N 3.15Å; K131-L134 VanDerWaalsContact O-CB 3.31Å; K131-L134 WeakPolarHBondContact O-CB 3.43Å; K131-L134 PolarHBondContact O-N 2.98Å; K131-L134 VanDerWaalsContact O-N 3.15Å; H132-L134 PolarHBondContact O-N 2.82Å; L134-L136 VanDerWaalsContact C-N 3.32Å; L134-L136 PolarHBondContact O-N 3.31Å; L134-G137 WeakPolarHBondContact O-CA 3.5Å; L134-G137 PolarHBondContact O-N 2.87Å; L134-L139 HydrophobicContact CB-CD1 3.89Å; L134-L139 HydrophobicContact CB-CG 4.49Å; L134-L139 HydrophobicContact CD1-CB 4.33Å; L134-L139 HydrophobicContact CD1-CD1 4.17Å; L134-I187 WeakPolarHBondContact CD1-O 3.49Å; L134-P189 HydrophobicContact CD2-CG 3.98Å; L134-L192 HydrophobicContact CB-CD1 4.35Å; L134-L192 HydrophobicContact CD2-CD1 3.76Å
135E96.3Very high96.4Very high154 Ų15436.6 Ų36.672%0.7218%0.175SC*.Hα-helixtrans-63.8-36.6178-71.4172.9-169.900112.4K131 H132 G137K131-E135 WeakPolarHBondContact O-CG 3.42Å; K131-E135 PolarHBondContact O-N 2.9Å; H132-E135 PolarHBondContact O-N 3.27Å; H132-E135 VanDerWaalsContact O-N 3.11Å; E135-G137 PolarHBondContact O-N 3.34Å
136L97Very high96.6Very high20 Ų2034.5 Ų34.511%0.10516%0.164CC..THydrogen-bonded Turntrans-70.3-6.7170.5-64.4179.5000113.1A102 Y106 V112 H132 L134 A138A102-L136 HydrophobicContact CB-CD1 4.21Å; Y106-L136 HydrophobicContact CD1-CD2 3.85Å; Y106-L136 HydrophobicContact CD2-CB 3.88Å; Y106-L136 HydrophobicContact CD2-CD1 4.18Å; Y106-L136 HydrophobicContact CD2-CD2 3.95Å; Y106-L136 HydrophobicContact CD2-CG 4.22Å; Y106-L136 HydrophobicContact CE1-CD2 4.17Å; Y106-L136 HydrophobicContact CE2-CB 3.78Å; Y106-L136 HydrophobicContact CE2-CD2 4.29Å; Y106-L136 WeakPolarHBondContact CE2-O 3.33Å; Y106-L136 HydrophobicContact CG-CD1 4.41Å; Y106-L136 HydrophobicContact CG-CD2 3.73Å; Y106-L136 HydrophobicContact CG-CG 4.45Å; Y106-L136 PolarHBondContact OH-O 3.17Å; V112-L136 HydrophobicContact CG2-CD1 4.36Å; H132-L136 WeakPolarHBondContact O-CG 3.42Å; H132-L136 PolarHBondContact O-N 3.02Å; L134-L136 VanDerWaalsContact C-N 3.32Å; L134-L136 PolarHBondContact O-N 3.31Å; L136-A138 PolarHBondContact O-N 2.69Å
137G96.6Very high96.8Very high15 Ų1534.9 Ų34.916%0.15517%0.168CC..THydrogen-bonded Turntrans73.76.8-179.300000114.9M133 L134 E135 L139 E140 Q141M133-G137 PolarHBondContact O-N 3.48Å; L134-G137 WeakPolarHBondContact O-CA 3.5Å; L134-G137 PolarHBondContact O-N 2.87Å; E135-G137 PolarHBondContact O-N 3.34Å; G137-L139 VanDerWaalsContact C-N 3.29Å; G137-L139 PolarHBondContact O-N 3.44Å; G137-E140 WeakPolarHBondContact O-CB 3.28Å; G137-E140 PolarHBondContact O-N 3.46Å; G137-E140 VanDerWaalsContact O-N 3.13Å; G137-Q141 WeakPolarHBondContact O-CG 3.48Å; G137-Q141 PolarHBondContact O-N 3.42Å
138A97.4Very high97Very high0 Ų040.1 Ų40.10%019%0.189CC..Hα-helixtrans-63.7-34.8-178.800000112.6P98 R101 A102 M133 L136 T142P98-A138 WeakPolarHBondContact O-CB 3.42Å; R101-A138 HydrophobicContact CB-CB 4.14Å; A102-A138 HydrophobicContact CB-CB 3.73Å; M133-A138 HydrophobicContact CB-CB 4.47Å; M133-A138 WeakPolarHBondContact O-CB 3.37Å; M133-A138 PolarHBondContact O-N 3.36Å; L136-A138 PolarHBondContact O-N 2.69Å; A138-T142 PolarHBondContact O-N 3.19Å; A138-T142 PolarHBondContact O-OG1 3.28Å
139L97.1Very high97.2Very high2 Ų235.3 Ų35.31%0.0117%0.171CC..Hα-helixtrans-66.7-40.1174-61.5-171.4000111.7Y72 L75 V76 P98 V130 L134 G137 T142 V143Y72-L139 HydrophobicContact CD2-CD2 4.4Å; Y72-L139 HydrophobicContact CE2-CB 4.17Å; Y72-L139 HydrophobicContact CE2-CD2 4.2Å; L75-L139 HydrophobicContact CD1-CD2 4.31Å; V76-L139 HydrophobicContact CG1-CD1 3.95Å; V76-L139 HydrophobicContact CG1-CD2 4.36Å; P98-L139 HydrophobicContact CB-CD2 3.97Å; V130-L139 HydrophobicContact CG1-CD1 4.25Å; L134-L139 HydrophobicContact CB-CD1 3.89Å; L134-L139 HydrophobicContact CB-CG 4.49Å; L134-L139 HydrophobicContact CD1-CB 4.33Å; L134-L139 HydrophobicContact CD1-CD1 4.17Å; G137-L139 VanDerWaalsContact C-N 3.29Å; G137-L139 PolarHBondContact O-N 3.44Å; L139-T142 WeakPolarHBondContact O-CB 3.48Å; L139-T142 PolarHBondContact O-N 2.94Å; L139-V143 PolarHBondContact O-N 2.89Å; L139-V143 VanDerWaalsContact O-N 3.13Å
140E97.3Very high97.2Very high96 Ų9636.1 Ų36.145%0.44918%0.175SC..Hα-helixtrans-63.3-48.1175.3-176.5-177.3170.600111.1G137 T142 V143 L144 F186G137-E140 WeakPolarHBondContact O-CB 3.28Å; G137-E140 PolarHBondContact O-N 3.46Å; G137-E140 VanDerWaalsContact O-N 3.13Å; E140-T142 PolarHBondContact O-N 3.28Å; E140-V143 WeakPolarHBondContact O-CB 3.46Å; E140-V143 PolarHBondContact O-N 2.89Å; E140-V143 VanDerWaalsContact O-N 3.07Å; E140-L144 WeakPolarHBondContact O-CG 3.38Å; E140-L144 PolarHBondContact O-N 3.17Å; E140-F186 HydrophobicContact CB-CD1 4.27Å; E140-F186 HydrophobicContact CB-CE1 4.5Å; E140-F186 HydrophobicContact CG-CD1 3.73Å; E140-F186 HydrophobicContact CG-CE1 3.62Å; E140-F186 HydrophobicContact CG-CZ 4.41Å
141Q97.4Very high97.3Very high73 Ų7341.6 Ų41.634%0.34120%0.201SC..Hα-helixtrans-59.5-33.2176.4-66.6-55.2-4300112.3G137 L144 K145G137-Q141 WeakPolarHBondContact O-CG 3.48Å; G137-Q141 PolarHBondContact O-N 3.42Å; Q141-L144 PolarHBondContact O-N 2.9Å; Q141-K145 WeakPolarHBondContact O-CB 3.28Å; Q141-K145 PolarHBondContact O-N 2.92Å
142T98.1Very high97.5Very high0 Ų043.9 Ų43.90%021%0.208CC..Hα-helixtrans-66.1-44174.5-570000111.9I68 Y72 Y97 P98 A138 L139 E140 L144 K145 L146I68-T142 HydrophobicContact CG2-CG2 3.81Å; Y72-T142 HydrophobicContact CD2-CG2 3.72Å; Y72-T142 HydrophobicContact CG-CG2 4.03Å; Y97-T142 HydrophobicContact CD1-CG2 3.86Å; Y97-T142 HydrophobicContact CE1-CG2 4.34Å; P98-T142 HydrophobicContact CG-CG2 4.04Å; A138-T142 PolarHBondContact O-N 3.19Å; A138-T142 PolarHBondContact O-OG1 3.28Å; L139-T142 WeakPolarHBondContact O-CB 3.48Å; L139-T142 PolarHBondContact O-N 2.94Å; E140-T142 PolarHBondContact O-N 3.28Å; T142-L144 VanDerWaalsContact C-N 3.34Å; T142-L144 PolarHBondContact O-N 3.04Å; T142-K145 WeakPolarHBondContact O-CB 3.13Å; T142-K145 PolarHBondContact O-N 3.26Å; T142-L146 HydrophobicContact CG2-CD1 4.36Å; T142-L146 WeakPolarHBondContact O-CG 3.32Å; T142-L146 PolarHBondContact O-N 3.02Å
143V98.1Very high97.5Very high0 Ų043 Ų430%020%0.204CC..Hα-helixtrans-61.3-42.6175.2170.20000111.2Y72 L139 E140 K145 L146 A147 H177 L184 F186Y72-V143 HydrophobicContact CE1-CG2 4.05Å; Y72-V143 HydrophobicContact CE2-CG2 4.06Å; Y72-V143 WeakPolarHBondContact OH-CG2 3.34Å; L139-V143 PolarHBondContact O-N 2.89Å; L139-V143 VanDerWaalsContact O-N 3.13Å; E140-V143 WeakPolarHBondContact O-CB 3.46Å; E140-V143 PolarHBondContact O-N 2.89Å; E140-V143 VanDerWaalsContact O-N 3.07Å; V143-K145 VanDerWaalsContact C-N 3.33Å; V143-K145 PolarHBondContact O-N 2.95Å; V143-L146 PolarHBondContact O-N 2.94Å; V143-A147 PolarHBondContact O-N 3.29Å; V143-H177 HydrophobicContact CG1-CB 4.26Å; V143-H177 HydrophobicContact CG2-CB 4.38Å; V143-L184 HydrophobicContact CG1-CB 4.07Å; V143-L184 HydrophobicContact CG1-CD1 4.47Å; V143-L184 HydrophobicContact CG1-CD2 4.23Å; V143-L184 HydrophobicContact CG1-CG 4.49Å; V143-F186 HydrophobicContact CB-CD1 3.97Å; V143-F186 HydrophobicContact CB-CE1 3.77Å; V143-F186 HydrophobicContact CG1-CD1 3.87Å; V143-F186 HydrophobicContact CG1-CE1 3.5Å; V143-F186 VanDerWaalsContact CG1-CE1 3.5Å; V143-F186 HydrophobicContact CG1-CZ 4.21Å; V143-F186 HydrophobicContact CG2-CD1 4.31Å
144L98.1Very high97.5Very high68 Ų6845.5 Ų45.536%0.35622%0.221SC..Hα-helixtrans-62.5-40.2175.8-65.4176.4000112E140 Q141 T142 A147 K148 L184 F186E140-L144 WeakPolarHBondContact O-CG 3.38Å; E140-L144 PolarHBondContact O-N 3.17Å; Q141-L144 PolarHBondContact O-N 2.9Å; T142-L144 VanDerWaalsContact C-N 3.34Å; T142-L144 PolarHBondContact O-N 3.04Å; L144-A147 PolarHBondContact O-N 3.5Å; L144-K148 PolarHBondContact O-N 2.89Å; L144-K148 VanDerWaalsContact O-N 3.11Å; L144-L184 HydrophobicContact CD2-CD1 3.92Å; L144-F186 HydrophobicContact CD2-CE1 4.41Å; L144-F186 HydrophobicContact CD2-CZ 4.16Å; L144-F186 HydrophobicContact CG-CE1 4.49Å
145K98.1Very high97.5Very high32 Ų3248.7 Ų48.714%0.13924%0.235CC..Hα-helixtrans-63-45.1174.9-174.569.7169.7-154.60111.8E23 E27 I68 Y97 Q141 T142 V143 A147 K148 L149E23-K145 IonicContact OE1-NZ 3.65Å; E23-K145 PolarHBondContact OE1-NZ 2.86Å; E27-K145 WeakPolarHBondContact OE1-CE 3.44Å; E27-K145 IonicContact OE1-NZ 2.71Å; E27-K145 PolarHBondContact OE1-NZ 3.47Å; I68-K145 HydrophobicContact CD1-CG 3.95Å; Y97-K145 HydrophobicContact CE1-CB 3.99Å; Y97-K145 HydrophobicContact CE1-CG 4.08Å; Y97-K145 HydrophobicContact CE2-CG 4.27Å; Y97-K145 WeakPolarHBondContact OH-CD 3.41Å; Y97-K145 WeakPolarHBondContact OH-CG 3.28Å; Q141-K145 WeakPolarHBondContact O-CB 3.28Å; Q141-K145 PolarHBondContact O-N 2.92Å; T142-K145 WeakPolarHBondContact O-CB 3.13Å; T142-K145 PolarHBondContact O-N 3.26Å; V143-K145 VanDerWaalsContact C-N 3.33Å; V143-K145 PolarHBondContact O-N 2.95Å; K145-A147 VanDerWaalsContact C-N 3.34Å; K145-A147 PolarHBondContact O-N 3.09Å; K145-K148 PolarHBondContact O-N 2.47Å; K145-L149 HydrophobicContact CG-CD1 4.05Å; K145-L149 WeakPolarHBondContact O-CG 3Å; K145-L149 PolarHBondContact O-N 3.13Å
146L98.3Very high97.6Very high0 Ų041.4 Ų41.40%020%0.201CC..Hα-helixtrans-59.8-44.3177.1-74.2171.7000111.4F65 I68 R69 Y72 T142 V143 K148 L149 E150 H177F65-L146 HydrophobicContact CD2-CD2 3.85Å; F65-L146 HydrophobicContact CE2-CB 4.43Å; F65-L146 HydrophobicContact CE2-CD2 3.94Å; I68-L146 HydrophobicContact CB-CD2 4.1Å; I68-L146 HydrophobicContact CG2-CD2 3.8Å; I68-L146 HydrophobicContact CG2-CG 4.03Å; R69-L146 HydrophobicContact CB-CD2 3.89Å; Y72-L146 HydrophobicContact CD1-CD1 4.22Å; Y72-L146 HydrophobicContact CG-CD1 4.38Å; T142-L146 HydrophobicContact CG2-CD1 4.36Å; T142-L146 WeakPolarHBondContact O-CG 3.32Å; T142-L146 PolarHBondContact O-N 3.02Å; V143-L146 PolarHBondContact O-N 2.94Å; L146-K148 VanDerWaalsContact C-N 3.34Å; L146-K148 PolarHBondContact O-N 3.12Å; L146-L149 PolarHBondContact O-N 3.45Å; L146-E150 VanDerWaalsContact O-CB 3.31Å; L146-E150 WeakPolarHBondContact O-CB 3.1Å; L146-E150 PolarHBondContact O-N 3.39Å; L146-H177 HydrophobicContact CD1-CB 4.02Å
147A98.1Very high97.6Very high15 Ų1540.6 Ų40.612%0.12420%0.197CC..Hα-helixtrans-59.5-42.8176.500000112.5V143 L144 K145 E151 L184V143-A147 PolarHBondContact O-N 3.29Å; L144-A147 PolarHBondContact O-N 3.5Å; K145-A147 VanDerWaalsContact C-N 3.34Å; K145-A147 PolarHBondContact O-N 3.09Å; A147-E151 PolarHBondContact O-N 2.9Å; A147-L184 HydrophobicContact CB-CD1 4.21Å; A147-L184 HydrophobicContact CB-CD2 3.6Å
148K98Very high97.6Very high145 Ų14544.7 Ų44.763%0.6322%0.219SC*.Hα-helixtrans-65.9-40.1176.6-174.8178.2-179177.80112.3L144 K145 L146 R152L144-K148 PolarHBondContact O-N 2.89Å; L144-K148 VanDerWaalsContact O-N 3.11Å; K145-K148 PolarHBondContact O-N 2.47Å; L146-K148 VanDerWaalsContact C-N 3.34Å; L146-K148 PolarHBondContact O-N 3.12Å; K148-R152 WeakPolarHBondContact O-CB 3.4Å; K148-R152 PolarHBondContact O-N 3.27Å
149L97.8Very high97.6Very high16 Ų1651.7 Ų51.78%0.08425%0.249CC..Hα-helixtrans-70.9-38178.4-75.5169.8000112.3L64 F65 I68 K145 L146 R152 C153L64-L149 HydrophobicContact CB-CD1 4.15Å; L64-L149 HydrophobicContact CB-CD2 4.09Å; L64-L149 HydrophobicContact CD1-CD2 4.5Å; F65-L149 HydrophobicContact CB-CB 4.1Å; F65-L149 HydrophobicContact CD2-CB 4.04Å; I68-L149 HydrophobicContact CD1-CD1 3.78Å; K145-L149 HydrophobicContact CG-CD1 4.05Å; K145-L149 WeakPolarHBondContact O-CG 3Å; K145-L149 PolarHBondContact O-N 3.13Å; L146-L149 PolarHBondContact O-N 3.45Å; L149-R152 WeakPolarHBondContact O-CB 3.28Å; L149-R152 PolarHBondContact O-N 3.36Å; L149-C153 PolarHBondContact O-N 3.29Å; L149-C153 PolarHBondContact O-SG 3.25Å
150E97.2Very high97.5Very high18 Ų1854 Ų548%0.08426%0.258CS..Hα-helixtrans-58.2-52.2171.4174.7-162.8160.200110.9F65 L146 R152 C153 S154 I170 T174 H177 R178F65-E150 HydrophobicContact CE2-CB 4.14Å; L146-E150 VanDerWaalsContact O-CB 3.31Å; L146-E150 WeakPolarHBondContact O-CB 3.1Å; L146-E150 PolarHBondContact O-N 3.39Å; E150-R152 VanDerWaalsContact C-N 3.26Å; E150-R152 PolarHBondContact O-N 3.19Å; E150-C153 WeakPolarHBondContact O-CB 3.46Å; E150-C153 PolarHBondContact O-N 3.38Å; E150-C153 VanDerWaalsContact O-N 3.1Å; E150-S154 PolarHBondContact O-N 2.87Å; E150-S154 PolarHBondContact O-OG 2.73Å; E150-I170 HydrophobicContact CG-CG2 4.49Å; E150-T174 HydrophobicContact CG-CG2 3.66Å; E150-T174 WeakPolarHBondContact OE1-CG2 3.26Å; E150-H177 IonicContact OE2-CD2 3.35Å; E150-H177 IonicContact OE2-CE1 2.85Å; E150-H177 IonicContact OE2-NE2 2.78Å; E150-H177 PolarHBondContact OE2-NE2 3.09Å; E150-R178 VanDerWaalsContact CD-NE 3.26Å; E150-R178 IonicContact OE1-CZ 3.79Å; E150-R178 IonicContact OE1-NE 2.89Å; E150-R178 PolarHBondContact OE1-NE 3.42Å; E150-R178 IonicContact OE1-NH2 3.87Å; E150-R178 PolarHBondContact OE1-NH2 3.25Å; E150-R178 IonicContact OE2-CZ 2.64Å; E150-R178 VanDerWaalsContact OE2-CZ 3.25Å; E150-R178 IonicContact OE2-NE 3.32Å; E150-R178 PolarHBondContact OE2-NE 2.82Å; E150-R178 IonicContact OE2-NH2 3.54Å; E150-R178 PolarHBondContact OE2-NH2 3.1Å
151E97.5Very high97.3Very high115 Ų11552.5 Ų52.554%0.53727%0.268SS..Hα-helixtrans-57.2-43.8177-173.4-173.3177.300110.8A147 C153 S154 Q155A147-E151 PolarHBondContact O-N 2.9Å; E151-C153 VanDerWaalsContact C-N 3.35Å; E151-C153 PolarHBondContact O-N 3.38Å; E151-S154 PolarHBondContact O-N 2.87Å; E151-Q155 HydrophobicContact CG-CG 4.46Å; E151-Q155 VanDerWaalsContact O-CG 3.3Å; E151-Q155 WeakPolarHBondContact O-CG 3.45Å; E151-Q155 PolarHBondContact O-N 2.96Å; E151-Q155 PolarHBondContact OE1-NE2 3.04Å
152R97.7Very high97.1Very high107 Ų10753.6 Ų53.640%0.40428%0.276SS..Hα-helixtrans-60.8-42.5176.9-17958.2178.2147.7-0.9112.3A61 K148 L149 E150 L156A61-R152 HydrophobicContact CB-CG 4.15Å; K148-R152 WeakPolarHBondContact O-CB 3.4Å; K148-R152 PolarHBondContact O-N 3.27Å; L149-R152 WeakPolarHBondContact O-CB 3.28Å; L149-R152 PolarHBondContact O-N 3.36Å; E150-R152 VanDerWaalsContact C-N 3.26Å; E150-R152 PolarHBondContact O-N 3.19Å; R152-L156 HydrophobicContact CG-CD1 4.17Å; R152-L156 WeakPolarHBondContact O-CB 3.41Å; R152-L156 VanDerWaalsContact O-CG 3.32Å; R152-L156 WeakPolarHBondContact O-CG 3.4Å; R152-L156 PolarHBondContact O-N 3.11Å; R152-L156 VanDerWaalsContact O-N 3.08Å
153C97.4Very high97Very high0 Ų057 Ų570%030%0.295CS..Hα-helixtrans-61-49.6175.2-69.40000110.4L149 E150 E151 Q155 L156 I157 I170L149-C153 PolarHBondContact O-N 3.29Å; L149-C153 PolarHBondContact O-SG 3.25Å; E150-C153 WeakPolarHBondContact O-CB 3.46Å; E150-C153 PolarHBondContact O-N 3.38Å; E150-C153 VanDerWaalsContact O-N 3.1Å; E151-C153 VanDerWaalsContact C-N 3.35Å; E151-C153 PolarHBondContact O-N 3.38Å; C153-Q155 PolarHBondContact O-N 2.91Å; C153-L156 PolarHBondContact O-N 3.01Å; C153-L156 VanDerWaalsContact O-N 3.14Å; C153-I157 VanDerWaalsContact O-CG1 3.28Å; C153-I157 WeakPolarHBondContact O-CG1 3.41Å; C153-I157 PolarHBondContact O-N 3.09Å; C153-I170 HydrophobicContact CB-CD1 4.41Å; C153-I170 HydrophobicContact CB-CG2 4.33Å
154S97.1Very high96.9Very high52 Ų5261.5 Ų61.536%0.36432%0.324SS..Hα-helixtrans-58.4-46.3179.1-64.30000112.5E150 E151 L156 I157 V158E150-S154 PolarHBondContact O-N 2.87Å; E150-S154 PolarHBondContact O-OG 2.73Å; E151-S154 PolarHBondContact O-N 2.87Å; S154-L156 VanDerWaalsContact C-N 3.32Å; S154-L156 PolarHBondContact O-N 3.14Å; S154-I157 PolarHBondContact O-N 3.06Å; S154-V158 WeakPolarHBondContact O-CG2 3.43Å; S154-V158 PolarHBondContact O-N 3.26Å
155Q97.7Very high96.8Very high95 Ų9564.3 Ų64.344%0.44434%0.338SS..Hα-helixtrans-59.9-41.1175.8-71.7173.22.900112.2E151 C153 K159E151-Q155 HydrophobicContact CG-CG 4.46Å; E151-Q155 VanDerWaalsContact O-CG 3.3Å; E151-Q155 WeakPolarHBondContact O-CG 3.45Å; E151-Q155 PolarHBondContact O-N 2.96Å; E151-Q155 PolarHBondContact OE1-NE2 3.04Å; C153-Q155 PolarHBondContact O-N 2.91Å; Q155-K159 WeakPolarHBondContact O-CB 3.21Å; Q155-K159 PolarHBondContact O-N 3.13Å
156L97.7Very high96.7Very high0 Ų064.8 Ų64.80%034%0.343CS..Hα-helixtrans-70.3-39.5178.4-74.2171.8000112P57 L58 A61 R152 C153 S154 V158 K159 Y160P57-L156 HydrophobicContact CB-CD1 4.35Å; P57-L156 HydrophobicContact CB-CD2 4.3Å; P57-L156 VanDerWaalsContact O-CD1 3.31Å; P57-L156 WeakPolarHBondContact O-CD1 3.38Å; L58-L156 HydrophobicContact CB-CB 4.25Å; L58-L156 HydrophobicContact CB-CD1 4.46Å; L58-L156 HydrophobicContact CD1-CB 3.75Å; A61-L156 HydrophobicContact CB-CD1 3.97Å; R152-L156 HydrophobicContact CG-CD1 4.17Å; R152-L156 WeakPolarHBondContact O-CB 3.41Å; R152-L156 VanDerWaalsContact O-CG 3.32Å; R152-L156 WeakPolarHBondContact O-CG 3.4Å; R152-L156 PolarHBondContact O-N 3.11Å; R152-L156 VanDerWaalsContact O-N 3.08Å; C153-L156 PolarHBondContact O-N 3.01Å; C153-L156 VanDerWaalsContact O-N 3.14Å; S154-L156 VanDerWaalsContact C-N 3.32Å; S154-L156 PolarHBondContact O-N 3.14Å; L156-V158 VanDerWaalsContact C-N 3.33Å; L156-V158 PolarHBondContact O-N 2.81Å; L156-K159 HydrophobicContact CD2-CD 4.18Å; L156-K159 WeakPolarHBondContact O-CB 3.3Å; L156-K159 PolarHBondContact O-N 3.44Å; L156-Y160 HydrophobicContact CB-CD2 4.36Å; L156-Y160 HydrophobicContact CB-CE2 4.34Å; L156-Y160 HydrophobicContact CD2-CE2 3.99Å; L156-Y160 WeakPolarHBondContact O-CB 3.43Å; L156-Y160 WeakPolarHBondContact O-CD2 3.41Å; L156-Y160 PolarHBondContact O-N 3.02Å
157I97.4Very high96.6Very high3 Ų366.7 Ų66.72%0.01536%0.356CS..Hα-helixtrans-58.7-47.2175.2-68164.6000110.3L58 C153 S154 Y160 N162 N163 L166 S167 I170L58-I157 HydrophobicContact CD1-CG1 3.85Å; L58-I157 HydrophobicContact CD2-CG1 4.47Å; C153-I157 VanDerWaalsContact O-CG1 3.28Å; C153-I157 WeakPolarHBondContact O-CG1 3.41Å; C153-I157 PolarHBondContact O-N 3.09Å; S154-I157 PolarHBondContact O-N 3.06Å; I157-Y160 PolarHBondContact O-N 3.39Å; I157-N162 WeakPolarHBondContact O-CA 3.46Å; I157-N162 PolarHBondContact O-N 2.85Å; I157-N163 HydrophobicContact CG2-CB 4.17Å; I157-L166 HydrophobicContact CD1-CD2 4.14Å; I157-L166 HydrophobicContact CD1-CG 3.86Å; I157-L166 HydrophobicContact CG1-CD2 3.92Å; I157-L166 HydrophobicContact CG1-CG 4.2Å; I157-S167 WeakPolarHBondContact CG2-OG 3.33Å; I157-I170 HydrophobicContact CD1-CG1 4.1Å
158V97Very high96.5Very high101 Ų10170.6 Ų70.661%0.61237%0.371SS*.Hα-helixtrans-61.2-47175.6173.60000110.9S154 L156 Y160 G161S154-V158 WeakPolarHBondContact O-CG2 3.43Å; S154-V158 PolarHBondContact O-N 3.26Å; L156-V158 VanDerWaalsContact C-N 3.33Å; L156-V158 PolarHBondContact O-N 2.81Å; V158-Y160 PolarHBondContact O-N 3.47Å; V158-G161 PolarHBondContact O-N 2.68Å; V158-G161 VanDerWaalsContact O-N 3.16Å
159K96.5Very high96.4Very high148 Ų14867.5 Ų67.564%0.64336%0.364SS*.Hα-helixtrans-55.2-36.1178.3179-177.6176-176.40112.7Q155 L156 G161Q155-K159 WeakPolarHBondContact O-CB 3.21Å; Q155-K159 PolarHBondContact O-N 3.13Å; L156-K159 HydrophobicContact CD2-CD 4.18Å; L156-K159 WeakPolarHBondContact O-CB 3.3Å; L156-K159 PolarHBondContact O-N 3.44Å; K159-G161 VanDerWaalsContact C-N 3.31Å; K159-G161 PolarHBondContact O-N 2.96Å
160Y95.5Very high96.3Very high51 Ų5166.9 Ų66.920%0.236%0.361CS..THydrogen-bonded Turntrans-91.619.4-176.1-73.7-59.3000114.5T53 D54 Y55 P57 L58 L156 I157 V158T53-Y160 HydrophobicContact CG2-CD1 3.75Å; T53-Y160 HydrophobicContact CG2-CE1 3.71Å; D54-Y160 PolarHBondContact O-OH 3.05Å; Y55-Y160 AromaticContact CD1-CD1 4Å; Y55-Y160 HydrophobicContact CD1-CD1 4Å; Y55-Y160 HydrophobicContact CD1-CD2 4.13Å; Y55-Y160 HydrophobicContact CD1-CE1 4.32Å; Y55-Y160 HydrophobicContact CD1-CE2 4.48Å; Y55-Y160 AromaticContact CD1-CG 3.9Å; Y55-Y160 HydrophobicContact CD1-CG 3.9Å; Y55-Y160 AromaticContact CE1-CD1 3.9Å; Y55-Y160 HydrophobicContact CE1-CD1 3.9Å; Y55-Y160 AromaticContact CE1-CG 3.85Å; Y55-Y160 HydrophobicContact CE1-CG 3.85Å; P57-Y160 WeakPolarHBondContact CD-OH 3.27Å; L58-Y160 HydrophobicContact CB-CD2 4.03Å; L58-Y160 HydrophobicContact CB-CE2 3.81Å; L58-Y160 HydrophobicContact CD2-CD2 4.1Å; L156-Y160 HydrophobicContact CB-CD2 4.36Å; L156-Y160 HydrophobicContact CB-CE2 4.34Å; L156-Y160 HydrophobicContact CD2-CE2 3.99Å; L156-Y160 WeakPolarHBondContact O-CB 3.43Å; L156-Y160 WeakPolarHBondContact O-CD2 3.41Å; L156-Y160 PolarHBondContact O-N 3.02Å; I157-Y160 PolarHBondContact O-N 3.39Å; V158-Y160 PolarHBondContact O-N 3.47Å
161G93.1Very high96.2Very high64 Ų6471.1 Ų71.166%0.6638%0.381SS*.THydrogen-bonded Turntrans1019.8173.200000115V158 K159V158-G161 PolarHBondContact O-N 2.68Å; V158-G161 VanDerWaalsContact O-N 3.16Å; K159-G161 VanDerWaalsContact C-N 3.31Å; K159-G161 PolarHBondContact O-N 2.96Å
162N93.1Very high96.1Very high95 Ų9571.5 Ų71.551%0.50838%0.381SS..  trans64.6145.2-174.5-164.624.4000113.4I157I157-N162 WeakPolarHBondContact O-CA 3.46Å; I157-N162 PolarHBondContact O-N 2.85Å
163N95.5Very high95.9Very high73 Ų7368.1 Ų68.139%0.3937%0.371SS..  trans-149.596.3176.7-175.6-31.6000108.7I157 L165 L166 S167I157-N163 HydrophobicContact CG2-CB 4.17Å; N163-L165 VanDerWaalsContact C-N 3.27Å; N163-L165 PolarHBondContact O-N 3.44Å; N163-L165 PolarHBondContact OD1-N 2.83Å; N163-L166 HydrophobicContact CB-CB 3.94Å; N163-L166 PolarHBondContact O-N 2.95Å; N163-L166 VanDerWaalsContact O-N 3.15Å; N163-L166 PolarHBondContact OD1-N 3.38Å; N163-S167 PolarHBondContact O-N 3.38Å; N163-S167 PolarHBondContact O-OG 3.28Å
164P96.1Very high95.8Very high93 Ų9368.1 Ų68.160%0.60437%0.371SS*.Hα-helixtrans-57.2-37.6-174.7-27.335.3000113.9S167 E168P164-S167 PolarHBondContact O-N 2.91Å; P164-E168 WeakPolarHBondContact O-CB 3.44Å; P164-E168 PolarHBondContact O-N 2.96Å
165L96.6Very high95.6Very high127 Ų12770.8 Ų70.867%0.66538%0.381SS*.Hα-helixtrans-67-44.2178.9-65174.9000111.2N163 E168 V169N163-L165 VanDerWaalsContact C-N 3.27Å; N163-L165 PolarHBondContact O-N 3.44Å; N163-L165 PolarHBondContact OD1-N 2.83Å; L165-E168 PolarHBondContact O-N 3.43Å; L165-V169 WeakPolarHBondContact O-CG2 3.46Å; L165-V169 PolarHBondContact O-N 3.5Å
166L95.7Very high95.4Very high43 Ų4367.2 Ų67.223%0.22537%0.365CS..Hα-helixtrans-67.4-39.5177.3-176.357.2000111.5L58 I62 I157 N163 E168 V169 I170L58-L166 HydrophobicContact CD2-CD2 4.01Å; I62-L166 HydrophobicContact CD1-CD1 4.15Å; I62-L166 HydrophobicContact CD1-CD2 4.22Å; I157-L166 HydrophobicContact CD1-CD2 4.14Å; I157-L166 HydrophobicContact CD1-CG 3.86Å; I157-L166 HydrophobicContact CG1-CD2 3.92Å; I157-L166 HydrophobicContact CG1-CG 4.2Å; N163-L166 HydrophobicContact CB-CB 3.94Å; N163-L166 PolarHBondContact O-N 2.95Å; N163-L166 VanDerWaalsContact O-N 3.15Å; N163-L166 PolarHBondContact OD1-N 3.38Å; L166-E168 VanDerWaalsContact C-N 3.32Å; L166-E168 PolarHBondContact O-N 2.98Å; L166-V169 PolarHBondContact O-N 3.41Å; L166-I170 HydrophobicContact CD1-CG1 4.49Å; L166-I170 WeakPolarHBondContact O-CG1 3.33Å; L166-I170 PolarHBondContact O-N 3.25Å
167S96.7Very high95.3Very high40 Ų4067.2 Ų67.228%0.2837%0.365SS..Hα-helixtrans-59.7-42.8173.9-62.30000111.6I157 N163 P164 I170 Q171I157-S167 WeakPolarHBondContact CG2-OG 3.33Å; N163-S167 PolarHBondContact O-N 3.38Å; N163-S167 PolarHBondContact O-OG 3.28Å; P164-S167 PolarHBondContact O-N 2.91Å; S167-I170 PolarHBondContact O-N 3.15Å; S167-Q171 WeakPolarHBondContact O-CB 3.2Å; S167-Q171 PolarHBondContact O-N 3.36Å
168E96.3Very high95.2Very high96 Ų9669.5 Ų69.545%0.44937%0.373SS..Hα-helixtrans-63.3-41.3176.2-169.7-169.9155.800112P164 L165 L166 Q171 K172P164-E168 WeakPolarHBondContact O-CB 3.44Å; P164-E168 PolarHBondContact O-N 2.96Å; L165-E168 PolarHBondContact O-N 3.43Å; L166-E168 VanDerWaalsContact C-N 3.32Å; L166-E168 PolarHBondContact O-N 2.98Å; E168-Q171 PolarHBondContact O-N 3.25Å; E168-K172 HydrophobicContact CG-CD 4.34Å; E168-K172 WeakPolarHBondContact O-CB 3.31Å; E168-K172 WeakPolarHBondContact O-CG 3.47Å; E168-K172 PolarHBondContact O-N 3.29Å; E168-K172 VanDerWaalsContact OE1-CE 3.28Å; E168-K172 WeakPolarHBondContact OE1-CE 3.25Å; E168-K172 IonicContact OE1-NZ 3.21Å; E168-K172 PolarHBondContact OE1-NZ 3.31Å
169V96Very high95Very high80 Ų8066.9 Ų66.949%0.48536%0.357SS..Hα-helixtrans-61.2-48175.5170.80000110.8L165 L166 K172 L173L165-V169 WeakPolarHBondContact O-CG2 3.46Å; L165-V169 PolarHBondContact O-N 3.5Å; L166-V169 PolarHBondContact O-N 3.41Å; V169-K172 PolarHBondContact O-N 3.11Å; V169-L173 HydrophobicContact CG1-CD1 4.27Å; V169-L173 WeakPolarHBondContact O-CG 3.4Å; V169-L173 PolarHBondContact O-N 2.97Å
170I95.6Very high94.7Very high4 Ų467 Ų672%0.02137%0.373CS..Hα-helixtrans-62.7-45.6178.6-64.1-68.5000110.2I62 F65 E150 C153 I157 L166 S167 K172 L173 T174I62-I170 HydrophobicContact CG1-CD1 4.03Å; F65-I170 HydrophobicContact CD1-CD1 4.36Å; E150-I170 HydrophobicContact CG-CG2 4.49Å; C153-I170 HydrophobicContact CB-CD1 4.41Å; C153-I170 HydrophobicContact CB-CG2 4.33Å; I157-I170 HydrophobicContact CD1-CG1 4.1Å; L166-I170 HydrophobicContact CD1-CG1 4.49Å; L166-I170 WeakPolarHBondContact O-CG1 3.33Å; L166-I170 PolarHBondContact O-N 3.25Å; S167-I170 PolarHBondContact O-N 3.15Å; I170-K172 PolarHBondContact O-N 2.76Å; I170-L173 WeakPolarHBondContact O-CB 3.39Å; I170-L173 PolarHBondContact O-N 3.12Å; I170-L173 VanDerWaalsContact O-N 3.08Å; I170-T174 WeakPolarHBondContact O-CG2 3.06Å; I170-T174 PolarHBondContact O-N 2.91Å
171Q94.6Very high94.5Very high106 Ų10670 Ų7050%0.49539%0.393SS..Hα-helixtrans-57.4-47.8178.7-173.261.657.500112S167 E168 L173 T174S167-Q171 WeakPolarHBondContact O-CB 3.2Å; S167-Q171 PolarHBondContact O-N 3.36Å; E168-Q171 PolarHBondContact O-N 3.25Å; Q171-L173 PolarHBondContact O-N 3.38Å; Q171-T174 PolarHBondContact NE2-OG1 3.35Å; Q171-T174 WeakPolarHBondContact O-CB 3.36Å; Q171-T174 PolarHBondContact O-N 3.46Å; Q171-T174 PolarHBondContact O-OG1 3.02Å
172K94.7Very high94.5Very high123 Ų12368.5 Ų68.554%0.53538%0.378SS..Hα-helixtrans-60.1-32.7177.2-77.7174.2169168.70113.1E168 V169 I170 T174E168-K172 HydrophobicContact CG-CD 4.34Å; E168-K172 WeakPolarHBondContact O-CB 3.31Å; E168-K172 WeakPolarHBondContact O-CG 3.47Å; E168-K172 PolarHBondContact O-N 3.29Å; E168-K172 VanDerWaalsContact OE1-CE 3.28Å; E168-K172 WeakPolarHBondContact OE1-CE 3.25Å; E168-K172 IonicContact OE1-NZ 3.21Å; E168-K172 PolarHBondContact OE1-NZ 3.31Å; V169-K172 PolarHBondContact O-N 3.11Å; I170-K172 PolarHBondContact O-N 2.76Å; K172-T174 PolarHBondContact O-N 3Å
173L94.5Very high94.6Very high36 Ų3669.9 Ų69.919%0.18838%0.381CS..Hα-helixtrans-70.9-21.2177.2-69.1171.9000112.1F65 Y66 R69 V169 I170 Q171 D175F65-L173 HydrophobicContact CE1-CB 3.69Å; F65-L173 HydrophobicContact CE1-CD1 4.09Å; F65-L173 HydrophobicContact CZ-CB 4.14Å; Y66-L173 HydrophobicContact CD2-CD1 4.41Å; R69-L173 WeakPolarHBondContact CD-O 3.21Å; R69-L173 PolarHBondContact NE-O 2.93Å; V169-L173 HydrophobicContact CG1-CD1 4.27Å; V169-L173 WeakPolarHBondContact O-CG 3.4Å; V169-L173 PolarHBondContact O-N 2.97Å; I170-L173 WeakPolarHBondContact O-CB 3.39Å; I170-L173 PolarHBondContact O-N 3.12Å; I170-L173 VanDerWaalsContact O-N 3.08Å; Q171-L173 PolarHBondContact O-N 3.38Å; L173-D175 VanDerWaalsContact C-N 3.28Å; L173-D175 PolarHBondContact O-N 3.41Å
174T95.1Very high94.7Very high1 Ų168.9 Ų68.91%0.00638%0.375CS..G310 helixtrans-72.8-17.2179.871.80000114.3F65 E150 I170 Q171 K172 L176 H177 R178F65-T174 HydrophobicContact CZ-CG2 4.44Å; E150-T174 HydrophobicContact CG-CG2 3.66Å; E150-T174 WeakPolarHBondContact OE1-CG2 3.26Å; I170-T174 WeakPolarHBondContact O-CG2 3.06Å; I170-T174 PolarHBondContact O-N 2.91Å; Q171-T174 PolarHBondContact NE2-OG1 3.35Å; Q171-T174 WeakPolarHBondContact O-CB 3.36Å; Q171-T174 PolarHBondContact O-N 3.46Å; Q171-T174 PolarHBondContact O-OG1 3.02Å; K172-T174 PolarHBondContact O-N 3Å; T174-L176 PolarHBondContact O-N 2.95Å; T174-H177 VanDerWaalsContact CA-CE1 3.49Å; T174-H177 WeakPolarHBondContact CA-CE1 3.35Å; T174-H177 CarbonylContact O-C 3.57Å; T174-H177 PolarHBondContact O-N 3.43Å; T174-R178 PolarHBondContact O-N 2.89Å
175D93.3Very high94.6Very high108 Ų10869.5 Ų69.558%0.57837%0.365SS*.G310 helixtrans-55.1-19.3179.2-64.5-5.9000113.3L173L173-D175 VanDerWaalsContact C-N 3.28Å; L173-D175 PolarHBondContact O-N 3.41Å
176L92.4Very high94.5Very high19 Ų1967.4 Ų67.410%0.09935%0.351CS..G310 helixtrans-70.6-41.7174.1-176.567.6000112.7R69 Y72 A73 D77 T174R69-L176 HydrophobicContact CG-CD2 3.45Å; R69-L176 VanDerWaalsContact CG-CD2 3.45Å; R69-L176 WeakPolarHBondContact O-CD2 3.37Å; Y72-L176 HydrophobicContact CD1-CD2 3.78Å; Y72-L176 HydrophobicContact CD1-CG 3.94Å; Y72-L176 HydrophobicContact CE1-CG 4.31Å; A73-L176 HydrophobicContact CB-CD1 4.21Å; A73-L176 HydrophobicContact CB-CD2 3.77Å; D77-L176 HydrophobicContact CB-CD1 4Å; T174-L176 PolarHBondContact O-N 2.95Å
177H94.6Very high94.3Very high0 Ų066.2 Ų66.20%035%0.345CS..THydrogen-bonded Turntrans-116.15.2-172.870.2-89.2000113.6F65 V143 L146 E150 T174 R185F65-H177 AromaticContact CE2-CE1 3.68Å; F65-H177 AromaticContact CZ-CE1 3.91Å; V143-H177 HydrophobicContact CG1-CB 4.26Å; V143-H177 HydrophobicContact CG2-CB 4.38Å; L146-H177 HydrophobicContact CD1-CB 4.02Å; E150-H177 IonicContact OE2-CD2 3.35Å; E150-H177 IonicContact OE2-CE1 2.85Å; E150-H177 IonicContact OE2-NE2 2.78Å; E150-H177 PolarHBondContact OE2-NE2 3.09Å; T174-H177 VanDerWaalsContact CA-CE1 3.49Å; T174-H177 WeakPolarHBondContact CA-CE1 3.35Å; T174-H177 CarbonylContact O-C 3.57Å; T174-H177 PolarHBondContact O-N 3.43Å; H177-R185 PolarHBondContact O-N 3.17Å
178R95.4Very high94Very high51 Ų5167.2 Ų67.219%0.19235%0.35CS..BIsolated β-bridgetrans-126.1151.2172.7-66.7-169.6-178.6-77.9-8.8112.4E150 T174 G182 H183 L184E150-R178 VanDerWaalsContact CD-NE 3.26Å; E150-R178 IonicContact OE1-CZ 3.79Å; E150-R178 IonicContact OE1-NE 2.89Å; E150-R178 PolarHBondContact OE1-NE 3.42Å; E150-R178 IonicContact OE1-NH2 3.87Å; E150-R178 PolarHBondContact OE1-NH2 3.25Å; E150-R178 IonicContact OE2-CZ 2.64Å; E150-R178 VanDerWaalsContact OE2-CZ 3.25Å; E150-R178 IonicContact OE2-NE 3.32Å; E150-R178 PolarHBondContact OE2-NE 2.82Å; E150-R178 IonicContact OE2-NH2 3.54Å; E150-R178 PolarHBondContact OE2-NH2 3.1Å; T174-R178 PolarHBondContact O-N 2.89Å; R178-G182 PolarHBondContact NH1-O 3.39Å; R178-H183 CarbonylContact C-O 3.11Å; R178-H183 WeakPolarHBondContact CA-O 3.39Å; R178-H183 WeakPolarHBondContact CB-O 3.5Å; R178-L184 HydrophobicContact CG-CD2 4.37Å
179T93.3Very high93.5Very high46 Ų4666.5 Ų66.528%0.28235%0.353SS..  trans-81.3162.8167.646.70000110.6D181 G182 H183 R185T179-D181 WeakPolarHBondContact CB-OD1 3.16Å; T179-D181 PolarHBondContact O-N 2.91Å; T179-D181 VanDerWaalsContact O-N 3.12Å; T179-D181 PolarHBondContact OG1-OD1 3.46Å; T179-G182 WeakPolarHBondContact O-CA 3.35Å; T179-G182 PolarHBondContact O-N 3.34Å; T179-H183 PolarHBondContact N-O 2.89Å; T179-H183 WeakPolarHBondContact OG1-CB 3.42Å; T179-H183 PolarHBondContact OG1-N 3.5Å; T179-H183 PolarHBondContact OG1-O 2.98Å; T179-H183 VanDerWaalsContact OG1-O 3.09Å; T179-R185 HydrophobicContact CG2-CB 4.14Å; T179-R185 HydrophobicContact CG2-CG 4.43Å
180P90.5Very high93Very high150 Ų15073 Ų7397%0.97437%0.369SS*.THydrogen-bonded Turntrans-59.3-22.1-179.7-26.735.8000115.5G182P180-G182 VanDerWaalsContact C-N 3.33Å
181D92.4Very high92.5Very high114 Ų11476.5 Ų76.561%0.6139%0.388SS*.THydrogen-bonded Turntrans-87.21.4174.158.6-4.2000113.5T179 H183T179-D181 WeakPolarHBondContact CB-OD1 3.16Å; T179-D181 PolarHBondContact O-N 2.91Å; T179-D181 VanDerWaalsContact O-N 3.12Å; T179-D181 PolarHBondContact OG1-OD1 3.46Å; D181-H183 VanDerWaalsContact CG-CD2 3.47Å; D181-H183 IonicContact OD1-CD2 2.81Å; D181-H183 IonicContact OD2-CD2 2.86Å; D181-H183 PolarHBondContact OD2-CD2 3.43Å; D181-H183 VanDerWaalsContact OD2-CD2 3.27Å; D181-H183 IonicContact OD2-NE2 2.72Å
182G91.7Very high91.9Very high34 Ų3471.6 Ų71.635%0.35137%0.365SS..SBendtrans91.4-0.9172.400000115.4R178 T179 P180R178-G182 PolarHBondContact NH1-O 3.39Å; T179-G182 WeakPolarHBondContact O-CA 3.35Å; T179-G182 PolarHBondContact O-N 3.34Å; P180-G182 VanDerWaalsContact C-N 3.33Å
183H95.8Very high90.6Very high124 Ų12469.6 Ų69.657%0.57436%0.36SS*.  trans-71.8156.5174.6-63-56.9000112R178 T179 D181 R185R178-H183 CarbonylContact C-O 3.11Å; R178-H183 WeakPolarHBondContact CA-O 3.39Å; R178-H183 WeakPolarHBondContact CB-O 3.5Å; T179-H183 PolarHBondContact N-O 2.89Å; T179-H183 WeakPolarHBondContact OG1-CB 3.42Å; T179-H183 PolarHBondContact OG1-N 3.5Å; T179-H183 PolarHBondContact OG1-O 2.98Å; T179-H183 VanDerWaalsContact OG1-O 3.09Å; D181-H183 VanDerWaalsContact CG-CD2 3.47Å; D181-H183 IonicContact OD1-CD2 2.81Å; D181-H183 IonicContact OD2-CD2 2.86Å; D181-H183 PolarHBondContact OD2-CD2 3.43Å; D181-H183 VanDerWaalsContact OD2-CD2 3.27Å; D181-H183 IonicContact OD2-NE2 2.72Å; H183-R185 PolarHBondContact O-N 3.36Å
184L97Very high89Confident51 Ų5170.4 Ų70.427%0.26736%0.361SS..BIsolated β-bridgetrans-68.8132.8174.6-64179.9000110V143 L144 A147 R178 F186V143-L184 HydrophobicContact CG1-CB 4.07Å; V143-L184 HydrophobicContact CG1-CD1 4.47Å; V143-L184 HydrophobicContact CG1-CD2 4.23Å; V143-L184 HydrophobicContact CG1-CG 4.49Å; L144-L184 HydrophobicContact CD2-CD1 3.92Å; A147-L184 HydrophobicContact CB-CD1 4.21Å; A147-L184 HydrophobicContact CB-CD2 3.6Å; R178-L184 HydrophobicContact CG-CD2 4.37Å; L184-F186 HydrophobicContact CB-CE1 4.46Å; L184-F186 HydrophobicContact CB-CE2 3.85Å; L184-F186 HydrophobicContact CB-CZ 3.78Å; L184-F186 HydrophobicContact CD1-CZ 3.93Å
185R94.6Very high86.8Confident106 Ų10677.9 Ų77.940%0.440%0.401SS..  trans-96.2109.5177.6-176.7-177.6176.9-173.8-1.9109.7H177 T179 H183H177-R185 PolarHBondContact O-N 3.17Å; T179-R185 HydrophobicContact CG2-CB 4.14Å; T179-R185 HydrophobicContact CG2-CG 4.43Å; H183-R185 PolarHBondContact O-N 3.36Å
186F94.9Very high84.3Confident83 Ų8377.4 Ų77.436%0.36441%0.406SS..  trans-97.6132.4171.1-57.1-68.7000110.1E140 V143 L144 L184E140-F186 HydrophobicContact CB-CD1 4.27Å; E140-F186 HydrophobicContact CB-CE1 4.5Å; E140-F186 HydrophobicContact CG-CD1 3.73Å; E140-F186 HydrophobicContact CG-CE1 3.62Å; E140-F186 HydrophobicContact CG-CZ 4.41Å; V143-F186 HydrophobicContact CB-CD1 3.97Å; V143-F186 HydrophobicContact CB-CE1 3.77Å; V143-F186 HydrophobicContact CG1-CD1 3.87Å; V143-F186 HydrophobicContact CG1-CE1 3.5Å; V143-F186 VanDerWaalsContact CG1-CE1 3.5Å; V143-F186 HydrophobicContact CG1-CZ 4.21Å; V143-F186 HydrophobicContact CG2-CD1 4.31Å; L144-F186 HydrophobicContact CD2-CE1 4.41Å; L144-F186 HydrophobicContact CD2-CZ 4.16Å; L144-F186 HydrophobicContact CG-CE1 4.49Å; L184-F186 HydrophobicContact CB-CE1 4.46Å; L184-F186 HydrophobicContact CB-CE2 3.85Å; L184-F186 HydrophobicContact CB-CZ 3.78Å; L184-F186 HydrophobicContact CD1-CZ 3.93Å
187I91.4Very high82Confident18 Ų1881.5 Ų81.59%0.09243%0.427CS..  trans-73.4137.4175.8-66.6-68.3000108.4Y72 V76 L134 D191 L192Y72-I187 VanDerWaalsContact OH-CG1 3.28Å; Y72-I187 WeakPolarHBondContact OH-CG1 3.37Å; V76-I187 HydrophobicContact CB-CD1 4.26Å; V76-I187 HydrophobicContact CB-CG1 4.03Å; V76-I187 HydrophobicContact CG1-CG1 4.08Å; V76-I187 HydrophobicContact CG2-CG1 4.33Å; L134-I187 WeakPolarHBondContact CD1-O 3.49Å; I187-D191 HydrophobicContact CD1-CB 4.09Å; I187-D191 HydrophobicContact CG2-CB 3.89Å; I187-L192 HydrophobicContact CG2-CD1 4.41Å; I187-L192 HydrophobicContact CG2-CD2 3.99Å; I187-L192 HydrophobicContact CG2-CG 3.86Å
188T89.9Confident79.3Confident62 Ų6288.3 Ų88.338%0.3846%0.464SS..  trans-108.3165.4174.8720000110.1R190 D191T188-R190 PolarHBondContact O-N 3.44Å; T188-R190 PolarHBondContact OG1-N 2.65Å; T188-D191 WeakPolarHBondContact CA-OD2 3.32Å; T188-D191 WeakPolarHBondContact CB-OD2 3.42Å; T188-D191 PolarHBondContact N-OD2 2.97Å; T188-D191 WeakPolarHBondContact O-CB 3.46Å; T188-D191 PolarHBondContact O-N 3.05Å; T188-D191 PolarHBondContact OG1-OD2 3.04Å
189P86Confident76.5Confident80 Ų8094.2 Ų94.252%0.51949%0.493SS..THydrogen-bonded Turntrans-55.9-25.8174.5-2836.4000113.7L134 L192 N193L134-P189 HydrophobicContact CD2-CG 3.98Å; P189-L192 PolarHBondContact O-N 2.87Å; P189-N193 PolarHBondContact O-N 3.39Å
190R85.2Confident73.6Confident216 Ų216100 Ų10082%0.81552%0.523SS*.THydrogen-bonded Turntrans-71-34.8176.6-65-179.4-179.8169.11112.4T188 L192 N193T188-R190 PolarHBondContact O-N 3.44Å; T188-R190 PolarHBondContact OG1-N 2.65Å; R190-L192 PolarHBondContact O-N 2.93Å; R190-N193 PolarHBondContact O-N 3.26Å
191D85.5Confident71Confident79 Ų79102.3 Ų102.342%0.42252%0.52SS..THydrogen-bonded Turntrans-68.2-23.3177.4-62.3-74.6000112.1I187 T188I187-D191 HydrophobicContact CD1-CB 4.09Å; I187-D191 HydrophobicContact CG2-CB 3.89Å; T188-D191 WeakPolarHBondContact CA-OD2 3.32Å; T188-D191 WeakPolarHBondContact CB-OD2 3.42Å; T188-D191 PolarHBondContact N-OD2 2.97Å; T188-D191 WeakPolarHBondContact O-CB 3.46Å; T188-D191 PolarHBondContact O-N 3.05Å; T188-D191 PolarHBondContact OG1-OD2 3.04Å
192L81.3Confident68.1Low2 Ų2104.6 Ų104.61%0.0153%0.531CS..THydrogen-bonded Turntrans-90.5-8.6176.9-64.1178.3000113.7L127 V130 K131 L134 I187 P189 R190 Y194L127-L192 HydrophobicContact CD1-CB 4.15Å; L127-L192 WeakPolarHBondContact CD1-O 3.39Å; V130-L192 HydrophobicContact CG1-CD1 3.9Å; V130-L192 HydrophobicContact CG1-CD2 3.75Å; K131-L192 HydrophobicContact CG-CB 4.43Å; K131-L192 HydrophobicContact CG-CD1 3.81Å; L134-L192 HydrophobicContact CB-CD1 4.35Å; L134-L192 HydrophobicContact CD2-CD1 3.76Å; I187-L192 HydrophobicContact CG2-CD1 4.41Å; I187-L192 HydrophobicContact CG2-CD2 3.99Å; I187-L192 HydrophobicContact CG2-CG 3.86Å; P189-L192 PolarHBondContact O-N 2.87Å; R190-L192 PolarHBondContact O-N 2.93Å; L192-Y194 WeakPolarHBondContact O-CD2 3.36Å; L192-Y194 PolarHBondContact O-N 2.85Å
193N68.6Low65.2Low81 Ų81107.8 Ų107.843%0.43355%0.548SS..  trans-77.990.7177.8-79.7-12.3000109.6K131 P189 R190 D195K131-N193 PolarHBondContact NZ-OD1 3Å; P189-N193 PolarHBondContact O-N 3.39Å; R190-N193 PolarHBondContact O-N 3.26Å; N193-D195 VanDerWaalsContact C-N 3.31Å; N193-D195 PolarHBondContact O-N 2.84Å
194Y60.4Low62.2Low54 Ų54110.3 Ų110.321%0.21256%0.564CS.*  trans-72.783.7168.1-62.9-91.3000109.3H81 F86 L127 L192 S196 L197H81-Y194 PolarHBondContact CE1-OH 3.25Å; H81-Y194 AromaticContact ND1-CZ 3.87Å; H81-Y194 PolarHBondContact ND1-OH 3.04Å; F86-Y194 HydrophobicContact CD2-CE2 4.46Å; F86-Y194 AromaticContact CE2-CE2 3.93Å; F86-Y194 HydrophobicContact CE2-CE2 3.93Å; F86-Y194 HydrophobicContact CZ-CE2 4.24Å; L127-Y194 HydrophobicContact CD1-CD2 4.12Å; L127-Y194 HydrophobicContact CD1-CE2 4.19Å; L192-Y194 WeakPolarHBondContact O-CD2 3.36Å; L192-Y194 PolarHBondContact O-N 2.85Å; Y194-S196 PolarHBondContact O-N 3.02Å; Y194-L197 HydrophobicContact CD1-CD1 3.86Å; Y194-L197 HydrophobicContact CD1-CG 4.37Å; Y194-L197 HydrophobicContact CD2-CD1 4.24Å; Y194-L197 HydrophobicContact CE1-CD1 4.48Å; Y194-L197 HydrophobicContact CG-CD1 3.72Å; Y194-L197 HydrophobicContact CG-CG 4.4Å
195D48.1Very low59.3Low157 Ų157112.8 Ų112.884%0.8459%0.591SS**THydrogen-bonded Turntrans-68.327.7172.5-76.7-23.8000113.2N193N193-D195 VanDerWaalsContact C-N 3.31Å; N193-D195 PolarHBondContact O-N 2.84Å
196S41.6Very low56.3Low98 Ų98113.2 Ų113.269%0.68561%0.61SS**THydrogen-bonded Turntrans-159.316.8-175.659.90000117.9Y194Y194-S196 PolarHBondContact O-N 3.02Å
197L44.2Very low53.5Low105 Ų105112.6 Ų112.655%0.5563%0.627SS.*SBendtrans-84.5-9172.2-77.4168.9000114.3Y194Y194-L197 HydrophobicContact CD1-CD1 3.86Å; Y194-L197 HydrophobicContact CD1-CG 4.37Å; Y194-L197 HydrophobicContact CD2-CD1 4.24Å; Y194-L197 HydrophobicContact CE1-CD1 4.48Å; Y194-L197 HydrophobicContact CG-CD1 3.72Å; Y194-L197 HydrophobicContact CG-CG 4.4Å
198D37Very low50.8Low143 Ų143120.3 Ų120.377%0.76566%0.663SS**SBendtrans-95105.2161.9-82.7-33.8000108.1
199H36.8Very low48.5Very low176 Ų176125.6 Ų125.682%0.81569%0.687SS**SBendtrans166.4-0.1145.6-83.2-44.2000116.5
200N33.7Very low46.5Very low168 Ų168128.7 Ų128.790%0.89870%0.699SS**SBendtrans-115.717.1-175.6-85.6-15.3000117.7
201E34.6Very low44.3Very low197 Ų197124.1 Ų124.192%0.92170%0.698SS**SBendtrans-100.825.5166.1-82.4-166.9165.800113.8
202I32.3Very low42.7Very low162 Ų162127.2 Ų127.283%0.83172%0.719SS**SBendtrans-149.596.8166.9-49.5171.6000108.6
203S30Very low41.3Very low101 Ų101132.2 Ų132.271%0.70675%0.754SS**  trans160.762.6148.5-166.90000112.7
204I33Very low40.1Very low178 Ų178141.6 Ų141.691%0.91379%0.791SS**SBendtrans-145.661.1157.9-42175.1000109.7
205A36Very low39.1Very low102 Ų102146 Ų14684%0.84382%0.82SS**  trans-159.144.4162.600000111.9
206S32.2Very low38.6Very low115 Ų115145.4 Ų145.480%0.80482%0.819SS**  trans-133.769.316834.10000108.3
207G35.4Very low38.5Very low70 Ų70148.1 Ų148.172%0.72283%0.826SS**  trans-133.3101.3173.400000108.8
208H35.1Very low38.1Very low181 Ų181150.6 Ų150.684%0.83884%0.843SS**  trans17.9128.9158.4-64-22000119.9
209I41.7Very low38.2Very low172 Ų172151.1 Ų151.188%0.88285%0.848SS**  -167.5128.6108.5-81.6141.3000108.1
210N44.4Very low38.3Very low145 Ų145149.4 Ų149.478%0.77585%0.85SS**  trans-58.8156-177.5-77.5-38.9000114.4
211P39.5Very low38.6Very low121 Ų121148.1 Ų148.179%0.78685%0.846SS**  trans-78.6130.5176.832.9-30.6000110.5
212V51.5Low38.9Very low144 Ų144144.3 Ų144.387%0.87384%0.841SS**  trans-92.1107.8161.3176.80000106.8
213S51.5Low39.5Very low106 Ų106142.8 Ų142.874%0.74184%0.841SS**  trans-84.3149.6160.465.50000109.5
214K43.6Very low40.3Very low279 Ų279146.6 Ų146.6100%1.21385%0.854SS**  trans-48.70166.6-72.9178174.4178.90113

Retrieved 214 of 214 residues in 182.3 ms (Link to these results)

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