A0A087Y685_POEFO Loading...

Ankyrin repeat domain 10b

AlphaFold DB , UniProt , Accession A0A087Y685, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 335 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
1M37.1Very low46.6Very low233 Ų233123.4 Ų123.4100%1.14875%0.746SS**  096.20-64.8167.6-176.800105.7
2S43.8Very low47.8Very low117 Ų117120.8 Ų120.882%0.81872%0.72SS**  83.370.481.4-580000111.2
3L40.4Very low49Very low174 Ų174120.2 Ų120.291%0.91171%0.705SS**  trans-89.3100.6153.7-66.6178.7000106.3V5L3-V5 PolarHBondContact O-N 3.29Å
4G41.4Very low50.1Low71 Ų71113.9 Ų113.973%0.73267%0.668SS**  trans-70112.5171.100000108.5E6G4-E6 PolarHBondContact O-N 2.9Å
5V45.8Very low51.2Low132 Ų132107.1 Ų107.180%0.863%0.628SS**  trans-73104.9164.6-179.40000105.9L3 S7L3-V5 PolarHBondContact O-N 3.29Å; V5-S7 VanDerWaalsContact C-N 3.28Å; V5-S7 PolarHBondContact O-N 3.01Å
6E45.3Very low52.2Low191 Ų191104.6 Ų104.689%0.89361%0.611SS**  trans-67.595166.7-68.7-157.3140.400108G4 G8G4-E6 PolarHBondContact O-N 2.9Å; E6-G8 VanDerWaalsContact C-N 3.25Å; E6-G8 PolarHBondContact O-N 3.22Å
7S50.7Low53.4Low82 Ų82104.3 Ų104.357%0.57362%0.616SS**  trans-66.788.4170.355.10000108.3V5 F9V5-S7 VanDerWaalsContact C-N 3.28Å; V5-S7 PolarHBondContact O-N 3.01Å; S7-F9 PolarHBondContact O-N 3.29Å
8G48.2Very low55Low73 Ų73108.6 Ų108.675%0.75362%0.62SS**  trans-54.7107.4166.700000108.2E6 S10E6-G8 VanDerWaalsContact C-N 3.25Å; E6-G8 PolarHBondContact O-N 3.22Å; G8-S10 PolarHBondContact O-N 3.35Å
9F42.7Very low56.9Low157 Ų157103.7 Ų103.769%0.68959%0.591SS**  trans-53.1123.6-170.7-68.6-85.7000110.6S7 S11 V14S7-F9 PolarHBondContact O-N 3.29Å; F9-S11 PolarHBondContact O-N 3.32Å; F9-V14 HydrophobicContact CB-CG2 3.79Å
10S56.8Low58.6Low66 Ų66101.3 Ų101.346%0.46258%0.579SS.*  trans-60138.4172.2175.30000109.1G8 E12 E13 V14G8-S10 PolarHBondContact O-N 3.35Å; S10-E12 PolarHBondContact O-N 3.28Å; S10-E12 PolarHBondContact OG-N 3.3Å; S10-E13 WeakPolarHBondContact O-CA 3.38Å; S10-E13 WeakPolarHBondContact O-CB 3.37Å; S10-E13 PolarHBondContact O-N 3.42Å; S10-V14 PolarHBondContact O-N 3.36Å; S10-V14 VanDerWaalsContact O-N 3.08Å
11S60.6Low60.2Low61 Ų6197 Ų9743%0.42756%0.555SS.*Hα-helixtrans-53.6-30.6176.2-52.40000112F9 V14 L15F9-S11 PolarHBondContact O-N 3.32Å; S11-V14 PolarHBondContact O-N 2.93Å; S11-L15 VanDerWaalsContact O-CG 3.3Å; S11-L15 WeakPolarHBondContact O-CG 3.43Å; S11-L15 PolarHBondContact O-N 3.43Å
12E61.2Low62.9Low92 Ų9286.2 Ų86.243%0.4350%0.502SS..Hα-helixtrans-68.3-40.5173.9-176.2166.6-141.200113S10 V14 L15 N16S10-E12 PolarHBondContact O-N 3.28Å; S10-E12 PolarHBondContact OG-N 3.3Å; E12-V14 VanDerWaalsContact C-N 3.33Å; E12-V14 PolarHBondContact O-N 3.33Å; E12-L15 PolarHBondContact O-N 3.18Å; E12-N16 WeakPolarHBondContact O-CB 3.47Å; E12-N16 PolarHBondContact O-N 3.2Å; E12-N16 PolarHBondContact O-ND2 3.42Å; E12-N16 VanDerWaalsContact O-ND2 3.13Å; E12-N16 PolarHBondContact O-OD1 3.01Å
13E63.3Low65.3Low114 Ų11485 Ų8553%0.53348%0.479SS..Hα-helixtrans-63.8-39.4174-109.1179.9161.400111.8S10 N16 S17S10-E13 WeakPolarHBondContact O-CA 3.38Å; S10-E13 WeakPolarHBondContact O-CB 3.37Å; S10-E13 PolarHBondContact O-N 3.42Å; E13-N16 PolarHBondContact O-N 3.11Å; E13-S17 VanDerWaalsContact O-CB 3.29Å; E13-S17 WeakPolarHBondContact O-CB 3.38Å; E13-S17 PolarHBondContact O-N 3.4Å
14V65Low67.8Low31 Ų3177 Ų7719%0.18844%0.438CS..Hα-helixtrans-64.8-43.9175.1-1790000110.9F9 S10 S11 E12 S17 R18 F19 F52F9-V14 HydrophobicContact CB-CG2 3.79Å; S10-V14 PolarHBondContact O-N 3.36Å; S10-V14 VanDerWaalsContact O-N 3.08Å; S11-V14 PolarHBondContact O-N 2.93Å; E12-V14 VanDerWaalsContact C-N 3.33Å; E12-V14 PolarHBondContact O-N 3.33Å; V14-S17 PolarHBondContact O-N 3.21Å; V14-R18 WeakPolarHBondContact O-CB 3.47Å; V14-R18 PolarHBondContact O-N 3.17Å; V14-F19 HydrophobicContact CG1-CE2 4.42Å; V14-F52 HydrophobicContact CB-CZ 4.06Å; V14-F52 HydrophobicContact CG1-CE2 4.32Å; V14-F52 HydrophobicContact CG1-CZ 3.88Å
15L66.2Low70.4Confident13 Ų1373.6 Ų73.67%0.06840%0.403CS..Hα-helixtrans-62.7-44.1174.3-73169.8000111.8S11 E12 S17 F19 F52 W60S11-L15 VanDerWaalsContact O-CG 3.3Å; S11-L15 WeakPolarHBondContact O-CG 3.43Å; S11-L15 PolarHBondContact O-N 3.43Å; E12-L15 PolarHBondContact O-N 3.18Å; L15-S17 PolarHBondContact O-N 3.43Å; L15-F19 HydrophobicContact CD2-CB 4.04Å; L15-F19 HydrophobicContact CD2-CD2 4.21Å; L15-F19 HydrophobicContact CD2-CG 4.49Å; L15-F19 CarbonylContact O-C 3.56Å; L15-F19 WeakPolarHBondContact O-CA 3.39Å; L15-F19 PolarHBondContact O-N 2.98Å; L15-F52 HydrophobicContact CD2-CD2 4.31Å; L15-F52 HydrophobicContact CD2-CE2 3.93Å; L15-F52 HydrophobicContact CG-CE2 4.07Å; L15-W60 HydrophobicContact CD1-CH2 4.22Å; L15-W60 HydrophobicContact CD2-CH2 4.36Å; L15-W60 HydrophobicContact CD2-CZ2 4.28Å
16N66.8Low72.8Confident66 Ų6670.1 Ų70.135%0.35338%0.375SS..Hα-helixtrans-61.5-41.3177.9-69.9-24000112.6E12 E13 R23E12-N16 WeakPolarHBondContact O-CB 3.47Å; E12-N16 PolarHBondContact O-N 3.2Å; E12-N16 PolarHBondContact O-ND2 3.42Å; E12-N16 VanDerWaalsContact O-ND2 3.13Å; E12-N16 PolarHBondContact O-OD1 3.01Å; E13-N16 PolarHBondContact O-N 3.11Å; N16-R23 WeakPolarHBondContact OD1-CD 3.49Å; N16-R23 PolarHBondContact OD1-NH1 2.99Å
17S73.6Confident75.1Confident100 Ų10063.9 Ų63.970%0.69935%0.348SS*.Hα-helixtrans-85.6-36.2-175-179.70000113.6E13 V14 L15E13-S17 VanDerWaalsContact O-CB 3.29Å; E13-S17 WeakPolarHBondContact O-CB 3.38Å; E13-S17 PolarHBondContact O-N 3.4Å; V14-S17 PolarHBondContact O-N 3.21Å; L15-S17 PolarHBondContact O-N 3.43Å
18R82.2Confident77.3Confident182 Ų18261.2 Ų61.269%0.68733%0.334SS*.Hα-helixtrans-110.3-25-171.9-59.6-170.3179.4-162.8-0.4114.9V14 P20V14-R18 WeakPolarHBondContact O-CB 3.47Å; V14-R18 PolarHBondContact O-N 3.17Å; R18-P20 VanDerWaalsContact C-CD 3.43Å
19F90Very high79.6Confident16 Ų1661.6 Ų61.67%0.0732%0.318CS..  trans-131.349.2-168.9-59-68.7000113.4V14 L15 L21 H22 R23 V48 D50 T51V14-F19 HydrophobicContact CG1-CE2 4.42Å; L15-F19 HydrophobicContact CD2-CB 4.04Å; L15-F19 HydrophobicContact CD2-CD2 4.21Å; L15-F19 HydrophobicContact CD2-CG 4.49Å; L15-F19 CarbonylContact O-C 3.56Å; L15-F19 WeakPolarHBondContact O-CA 3.39Å; L15-F19 PolarHBondContact O-N 2.98Å; F19-L21 VanDerWaalsContact C-N 3.31Å; F19-L21 PolarHBondContact O-N 2.92Å; F19-H22 WeakPolarHBondContact CA-CE1 3.31Å; F19-H22 HydrophobicContact CB-CB 3.99Å; F19-H22 WeakPolarHBondContact CB-CE1 3.42Å; F19-H22 AromaticContact CD1-CE1 3.87Å; F19-H22 AromaticContact CD1-ND1 3.85Å; F19-H22 AromaticContact CD1-NE2 3.76Å; F19-H22 WeakPolarHBondContact O-CA 3.36Å; F19-H22 WeakPolarHBondContact O-CB 3.43Å; F19-H22 PolarHBondContact O-CE1 3.12Å; F19-H22 PolarHBondContact O-N 3.47Å; F19-R23 PolarHBondContact O-N 3.48Å; F19-R23 VanDerWaalsContact O-N 3.1Å; F19-V48 HydrophobicContact CD1-CG1 4.34Å; F19-V48 HydrophobicContact CE1-CG1 3.95Å; F19-D50 HydrophobicContact CD1-CB 4.4Å; F19-D50 HydrophobicContact CE1-CB 4.38Å; F19-D50 HydrophobicContact CG-CB 4.49Å; F19-D50 HydrophobicContact CZ-CB 4.44Å; F19-T51 HydrophobicContact CZ-CG2 4.26Å
20P91.1Very high82.1Confident55 Ų5555.5 Ų55.536%0.35729%0.294SS..Hα-helixtrans-60.9-35.1-172.826.2-36000113.5R18 H22 R23 A24 L36R18-P20 VanDerWaalsContact C-CD 3.43Å; P20-H22 VanDerWaalsContact C-N 3.33Å; P20-H22 PolarHBondContact O-N 3.47Å; P20-R23 PolarHBondContact O-N 2.99Å; P20-A24 PolarHBondContact O-N 3.45Å; P20-L36 HydrophobicContact CB-CD1 3.93Å; P20-L36 HydrophobicContact CB-CD2 4.07Å; P20-L36 HydrophobicContact CG-CD2 4.26Å
21L93.1Very high84Confident12 Ų1254.5 Ų54.56%0.06329%0.294CS..Hα-helixtrans-61.9-39.4173-72.7173.1000112.3F19 A24 C25 L33 L36 L37 L46 P57F19-L21 VanDerWaalsContact C-N 3.31Å; F19-L21 PolarHBondContact O-N 2.92Å; L21-A24 PolarHBondContact O-N 3.14Å; L21-C25 WeakPolarHBondContact O-CB 3.37Å; L21-C25 PolarHBondContact O-N 2.88Å; L21-C25 PolarHBondContact O-SG 3.13Å; L21-L33 HydrophobicContact CD2-CD1 3.77Å; L21-L36 HydrophobicContact CD2-CB 3.58Å; L21-L36 HydrophobicContact CD2-CD1 4.16Å; L21-L36 HydrophobicContact CG-CB 4.41Å; L21-L37 HydrophobicContact CD2-CD2 3.92Å; L21-L37 HydrophobicContact CD2-CG 4.2Å; L21-L46 HydrophobicContact CD1-CD2 4.18Å; L21-P57 HydrophobicContact CB-CB 4.16Å; L21-P57 HydrophobicContact CB-CG 3.72Å; L21-P57 HydrophobicContact CD1-CG 4.45Å
22H93.8Very high85.6Confident6 Ų653.2 Ų53.23%0.02829%0.287CS..Hα-helixtrans-68.6-41.1179.8-5867000110.2F19 P20 C25 R26 V48 W55 W60F19-H22 WeakPolarHBondContact CA-CE1 3.31Å; F19-H22 HydrophobicContact CB-CB 3.99Å; F19-H22 WeakPolarHBondContact CB-CE1 3.42Å; F19-H22 AromaticContact CD1-CE1 3.87Å; F19-H22 AromaticContact CD1-ND1 3.85Å; F19-H22 AromaticContact CD1-NE2 3.76Å; F19-H22 WeakPolarHBondContact O-CA 3.36Å; F19-H22 WeakPolarHBondContact O-CB 3.43Å; F19-H22 PolarHBondContact O-CE1 3.12Å; F19-H22 PolarHBondContact O-N 3.47Å; P20-H22 VanDerWaalsContact C-N 3.33Å; P20-H22 PolarHBondContact O-N 3.47Å; H22-C25 CarbonylContact O-C 3.58Å; H22-C25 PolarHBondContact O-N 3.31Å; H22-R26 PolarHBondContact O-N 3.39Å; H22-V48 PolarHBondContact NE2-O 3.43Å; H22-W55 PolarHBondContact CD2-O 3.17Å; H22-W55 VanDerWaalsContact CD2-O 3.23Å; H22-W60 HydrophobicContact CB-CD2 4.42Å; H22-W60 HydrophobicContact CB-CG 4.27Å; H22-W60 AromaticContact CD2-CD1 3.54Å; H22-W60 AromaticContact CD2-NE1 3.66Å
23R92.4Very high87.2Confident92 Ų9248.8 Ų48.835%0.34727%0.266SS..Hα-helixtrans-61-49.2173.1177.4172.1173.3-177.3-1.5112.2N16 F19 P20 C25 R26 D27N16-R23 WeakPolarHBondContact OD1-CD 3.49Å; N16-R23 PolarHBondContact OD1-NH1 2.99Å; F19-R23 PolarHBondContact O-N 3.48Å; F19-R23 VanDerWaalsContact O-N 3.1Å; P20-R23 PolarHBondContact O-N 2.99Å; R23-C25 PolarHBondContact O-N 3.32Å; R23-R26 WeakPolarHBondContact O-CB 3.38Å; R23-R26 PolarHBondContact O-N 3.48Å; R23-D27 WeakPolarHBondContact CG-OD2 3.5Å; R23-D27 IonicContact CZ-OD2 3.56Å; R23-D27 IonicContact NE-OD2 2.81Å; R23-D27 PolarHBondContact NE-OD2 2.89Å; R23-D27 IonicContact NH2-OD2 3.39Å; R23-D27 PolarHBondContact NH2-OD2 3.27Å; R23-D27 PolarHBondContact O-N 3.47Å
24A94.8Very high88.7Confident5 Ų544.6 Ų44.64%0.04125%0.249CC..Hα-helixtrans-57.6-36.3177.900000111.6P20 L21 G28 D29 A32 L33 L36P20-A24 PolarHBondContact O-N 3.45Å; L21-A24 PolarHBondContact O-N 3.14Å; A24-G28 CarbonylContact O-C 3.51Å; A24-G28 WeakPolarHBondContact O-CA 3.39Å; A24-G28 PolarHBondContact O-N 3.31Å; A24-D29 PolarHBondContact O-N 2.99Å; A24-A32 HydrophobicContact CB-CB 4.33Å; A24-L33 HydrophobicContact CB-CB 4Å; A24-L36 HydrophobicContact CB-CD1 4.31Å
25C96.1Very high90Very high0 Ų046.4 Ų46.40%026%0.263CS..Hα-helixtrans-74.3-28.7175.1-66.20000114.7L21 H22 R23 P57 W60 A61 K66L21-C25 WeakPolarHBondContact O-CB 3.37Å; L21-C25 PolarHBondContact O-N 2.88Å; L21-C25 PolarHBondContact O-SG 3.13Å; H22-C25 CarbonylContact O-C 3.58Å; H22-C25 PolarHBondContact O-N 3.31Å; R23-C25 PolarHBondContact O-N 3.32Å; C25-P57 WeakPolarHBondContact CB-O 3.4Å; C25-W60 HydrophobicContact CB-CB 4.18Å; C25-A61 HydrophobicContact CB-CB 3.91Å; C25-K66 VanDerWaalsContact O-CG 3.23Å; C25-K66 WeakPolarHBondContact O-CG 3.42Å
26R95.1Very high91.3Very high59 Ų5948.3 Ų48.322%0.22327%0.273CS..Hα-helixtrans-70.8-51.6171-173.1-165.671.6170.8-1.1111.2H22 R23 G28 W60 F64 K66H22-R26 PolarHBondContact O-N 3.39Å; R23-R26 WeakPolarHBondContact O-CB 3.38Å; R23-R26 PolarHBondContact O-N 3.48Å; R26-G28 VanDerWaalsContact C-N 3.33Å; R26-W60 HydrophobicContact CB-CE3 3.74Å; R26-W60 HydrophobicContact CB-CZ3 4.09Å; R26-W60 HydrophobicContact CG-CE3 3.92Å; R26-W60 HydrophobicContact CG-CZ3 3.87Å; R26-F64 HydrophobicContact CB-CD2 4.37Å; R26-F64 HydrophobicContact CG-CD1 4.4Å; R26-F64 HydrophobicContact CG-CD2 3.92Å; R26-F64 HydrophobicContact CG-CE1 4.31Å; R26-F64 HydrophobicContact CG-CE2 3.84Å; R26-F64 HydrophobicContact CG-CG 4.22Å; R26-F64 HydrophobicContact CG-CZ 4.03Å; R26-K66 WeakPolarHBondContact O-CE 3.28Å
27D94.2Very high92.4Very high60 Ų6046.1 Ų46.132%0.32126%0.261SS..Hα-helixtrans-72.4-33.8-173-63.9-4.9000109.9R23 K66R23-D27 WeakPolarHBondContact CG-OD2 3.5Å; R23-D27 IonicContact CZ-OD2 3.56Å; R23-D27 IonicContact NE-OD2 2.81Å; R23-D27 PolarHBondContact NE-OD2 2.89Å; R23-D27 IonicContact NH2-OD2 3.39Å; R23-D27 PolarHBondContact NH2-OD2 3.27Å; R23-D27 PolarHBondContact O-N 3.47Å; D27-K66 PolarHBondContact O-NZ 3.44Å
28G95.7Very high93.1Very high26 Ų2648.7 Ų48.727%0.26826%0.262SS..THydrogen-bonded Turntrans93.418.5-174.800000113.3A24 R26 V30A24-G28 CarbonylContact O-C 3.51Å; A24-G28 WeakPolarHBondContact O-CA 3.39Å; A24-G28 PolarHBondContact O-N 3.31Å; R26-G28 VanDerWaalsContact C-N 3.33Å; G28-V30 PolarHBondContact O-N 3.37Å
29D96.4Very high93.1Very high81 Ų8144.9 Ų44.943%0.43326%0.262SS..  trans-79.488.5-180-171.4-13.8000110.6A24 G31 A32 L33A24-D29 PolarHBondContact O-N 2.99Å; D29-G31 PolarHBondContact O-N 2.96Å; D29-G31 WeakPolarHBondContact OD1-CA 3.16Å; D29-G31 PolarHBondContact OD1-N 2.87Å; D29-A32 HydrophobicContact CB-CB 4.02Å; D29-A32 VanDerWaalsContact CG-CB 3.41Å; D29-A32 PolarHBondContact O-N 2.78Å; D29-A32 PolarHBondContact OD1-N 3.2Å; D29-A32 VanDerWaalsContact OD2-CB 3.29Å; D29-A32 WeakPolarHBondContact OD2-CB 3.3Å; D29-L33 VanDerWaalsContact O-CB 3.25Å; D29-L33 WeakPolarHBondContact O-CB 3.28Å; D29-L33 PolarHBondContact O-N 2.91Å
30V96.3Very high92.7Very high29 Ų2945.9 Ų45.918%0.17627%0.27CS..Hα-helixtrans-62.3-27.1175.6-178.40000111.7G28 C34 E68G28-V30 PolarHBondContact O-N 3.37Å; V30-C34 VanDerWaalsContact O-CB 3.28Å; V30-C34 WeakPolarHBondContact O-CB 3.46Å; V30-C34 PolarHBondContact O-N 2.96Å; V30-C34 PolarHBondContact O-SG 2.75Å; V30-E68 HydrophobicContact CG1-CG 4.05Å; V30-E68 HydrophobicContact CG2-CB 3.87Å; V30-E68 HydrophobicContact CG2-CG 3.76Å
31G95.7Very high91.8Very high44 Ų4449.1 Ų49.145%0.45429%0.294SS..Hα-helixtrans-72.3-50.3178.400000112D29 C34 S35D29-G31 PolarHBondContact O-N 2.96Å; D29-G31 WeakPolarHBondContact OD1-CA 3.16Å; D29-G31 PolarHBondContact OD1-N 2.87Å; G31-C34 PolarHBondContact O-N 3.3Å; G31-S35 WeakPolarHBondContact O-CB 3.29Å; G31-S35 PolarHBondContact O-N 3.35Å; G31-S35 PolarHBondContact O-OG 2.87Å
32A94.6Very high91Very high34 Ų3452.4 Ų52.428%0.28131%0.311SS..Hα-helixtrans-61.8-43.7171.500000111.2A24 D29 C34 S35 L36A24-A32 HydrophobicContact CB-CB 4.33Å; D29-A32 HydrophobicContact CB-CB 4.02Å; D29-A32 VanDerWaalsContact CG-CB 3.41Å; D29-A32 PolarHBondContact O-N 2.78Å; D29-A32 PolarHBondContact OD1-N 3.2Å; D29-A32 VanDerWaalsContact OD2-CB 3.29Å; D29-A32 WeakPolarHBondContact OD2-CB 3.3Å; A32-C34 PolarHBondContact O-N 3.4Å; A32-S35 PolarHBondContact O-N 3.32Å; A32-L36 WeakPolarHBondContact O-CB 3.43Å; A32-L36 VanDerWaalsContact O-CG 3.25Å; A32-L36 WeakPolarHBondContact O-CG 3.3Å; A32-L36 PolarHBondContact O-N 3.03Å
33L95.3Very high90.2Very high0 Ų056.8 Ų56.80%034%0.34CS..Hα-helixtrans-56.8-51.7175.6178.760.3000111.3L21 A24 D29 S35 L36 L37 C69 R72 L73L21-L33 HydrophobicContact CD2-CD1 3.77Å; A24-L33 HydrophobicContact CB-CB 4Å; D29-L33 VanDerWaalsContact O-CB 3.25Å; D29-L33 WeakPolarHBondContact O-CB 3.28Å; D29-L33 PolarHBondContact O-N 2.91Å; L33-S35 VanDerWaalsContact C-N 3.29Å; L33-S35 PolarHBondContact O-N 3.4Å; L33-L36 PolarHBondContact O-N 3.15Å; L33-L37 HydrophobicContact CD1-CD1 3.86Å; L33-L37 HydrophobicContact CD1-CG 3.99Å; L33-L37 HydrophobicContact CG-CD1 3.87Å; L33-L37 HydrophobicContact CG-CG 4.36Å; L33-L37 WeakPolarHBondContact O-CB 3.44Å; L33-L37 WeakPolarHBondContact O-CG 3.39Å; L33-L37 PolarHBondContact O-N 3.23Å; L33-C69 HydrophobicContact CD2-CB 3.65Å; L33-R72 HydrophobicContact CD2-CB 4.27Å; L33-L73 HydrophobicContact CD1-CD2 4.18Å; L33-L73 HydrophobicContact CD2-CG 4.48Å
34C94.2Very high89.7Confident26 Ų2654.6 Ų54.618%0.17634%0.342CS..Hα-helixtrans-62-36.6178.6-72.80000112.8V30 G31 A32 Q38 R72V30-C34 VanDerWaalsContact O-CB 3.28Å; V30-C34 WeakPolarHBondContact O-CB 3.46Å; V30-C34 PolarHBondContact O-N 2.96Å; V30-C34 PolarHBondContact O-SG 2.75Å; G31-C34 PolarHBondContact O-N 3.3Å; A32-C34 PolarHBondContact O-N 3.4Å; C34-Q38 VanDerWaalsContact O-CG 3.27Å; C34-Q38 WeakPolarHBondContact O-CG 3.22Å; C34-Q38 PolarHBondContact O-N 2.87Å; C34-R72 PolarHBondContact SG-NE 3.14Å
35S93.6Very high89.1Confident69 Ų6957.3 Ų57.348%0.48336%0.355SS..Hα-helixtrans-67.8-43.7177.6-55.50000111.7G31 A32 L33 Q38 C39G31-S35 WeakPolarHBondContact O-CB 3.29Å; G31-S35 PolarHBondContact O-N 3.35Å; G31-S35 PolarHBondContact O-OG 2.87Å; A32-S35 PolarHBondContact O-N 3.32Å; L33-S35 VanDerWaalsContact C-N 3.29Å; L33-S35 PolarHBondContact O-N 3.4Å; S35-Q38 PolarHBondContact O-N 3.37Å; S35-C39 PolarHBondContact O-N 3.45Å
36L91.9Very high88.8Confident52 Ų5257.8 Ų57.827%0.27236%0.358SS..Hα-helixtrans-63.6-44.6175-69.6165.6000111.3P20 L21 A24 A32 L33 Q38 C39 T40P20-L36 HydrophobicContact CB-CD1 3.93Å; P20-L36 HydrophobicContact CB-CD2 4.07Å; P20-L36 HydrophobicContact CG-CD2 4.26Å; L21-L36 HydrophobicContact CD2-CB 3.58Å; L21-L36 HydrophobicContact CD2-CD1 4.16Å; L21-L36 HydrophobicContact CG-CB 4.41Å; A24-L36 HydrophobicContact CB-CD1 4.31Å; A32-L36 WeakPolarHBondContact O-CB 3.43Å; A32-L36 VanDerWaalsContact O-CG 3.25Å; A32-L36 WeakPolarHBondContact O-CG 3.3Å; A32-L36 PolarHBondContact O-N 3.03Å; L33-L36 PolarHBondContact O-N 3.15Å; L36-Q38 VanDerWaalsContact C-N 3.26Å; L36-Q38 PolarHBondContact O-N 2.97Å; L36-C39 CarbonylContact O-C 3.52Å; L36-C39 PolarHBondContact O-N 2.89Å; L36-T40 PolarHBondContact O-N 3.23Å; L36-T40 PolarHBondContact O-OG1 2.98Å
37L90.8Very high88.6Confident20 Ų2059.7 Ų59.711%0.10538%0.376CS..Hα-helixtrans-64.8-25.3177.1-69.3177.6000113.6L21 L33 L46 R72 L73 V76L21-L37 HydrophobicContact CD2-CD2 3.92Å; L21-L37 HydrophobicContact CD2-CG 4.2Å; L33-L37 HydrophobicContact CD1-CD1 3.86Å; L33-L37 HydrophobicContact CD1-CG 3.99Å; L33-L37 HydrophobicContact CG-CD1 3.87Å; L33-L37 HydrophobicContact CG-CG 4.36Å; L33-L37 WeakPolarHBondContact O-CB 3.44Å; L33-L37 WeakPolarHBondContact O-CG 3.39Å; L33-L37 PolarHBondContact O-N 3.23Å; L37-L46 HydrophobicContact CD2-CD2 3.32Å; L37-R72 HydrophobicContact CD1-CG 4.07Å; L37-L73 HydrophobicContact CD1-CD2 4.42Å; L37-L73 HydrophobicContact CD2-CD2 4.31Å; L37-V76 HydrophobicContact CD1-CG1 4.24Å; L37-V76 HydrophobicContact CD1-CG2 4.04Å; L37-V76 HydrophobicContact CD2-CG2 4.05Å
38Q88.1Confident88.4Confident155 Ų15559.7 Ų59.772%0.72438%0.379SS*.Hα-helixtrans-75.2-27.6171.1-75.917010.300112.7C34 S35 L36C34-Q38 VanDerWaalsContact O-CG 3.27Å; C34-Q38 WeakPolarHBondContact O-CG 3.22Å; C34-Q38 PolarHBondContact O-N 2.87Å; S35-Q38 PolarHBondContact O-N 3.37Å; L36-Q38 VanDerWaalsContact C-N 3.26Å; L36-Q38 PolarHBondContact O-N 2.97Å
39C82.9Confident88.3Confident102 Ų10260.8 Ų60.869%0.68938%0.377SS*.Hα-helixtrans-85.6-22.8175.5-66.80000113.1S35 L36 S41S35-C39 PolarHBondContact O-N 3.45Å; L36-C39 CarbonylContact O-C 3.52Å; L36-C39 PolarHBondContact O-N 2.89Å; C39-S41 PolarHBondContact O-N 3.06Å; C39-S41 VanDerWaalsContact O-N 3.07Å
40T80.6Confident88Confident37 Ų3757.1 Ų57.123%0.22736%0.357CS..  trans-62.7106.5175.5-72.40000110.9L36 N42 D45 L46L36-T40 PolarHBondContact O-N 3.23Å; L36-T40 PolarHBondContact O-OG1 2.98Å; T40-N42 VanDerWaalsContact CG2-O 3.24Å; T40-N42 WeakPolarHBondContact CG2-O 3.36Å; T40-D45 HydrophobicContact CG2-CB 3.95Å; T40-L46 HydrophobicContact CG2-CD2 4.31Å
41S72Confident87.6Confident123 Ų12360 Ų6086%0.8638%0.375SS*.  trans-85.8-11.8176.2-58.10000113.5C39C39-S41 PolarHBondContact O-N 3.06Å; C39-S41 VanDerWaalsContact O-N 3.07Å
42N77.6Confident87.1Confident80 Ų8060.9 Ų60.943%0.42837%0.366SS..  trans-131.5122.5-170.3-179.68.7000111.2T40 A44 D45T40-N42 VanDerWaalsContact CG2-O 3.24Å; T40-N42 WeakPolarHBondContact CG2-O 3.36Å; N42-A44 PolarHBondContact O-N 3.49Å; N42-A44 VanDerWaalsContact O-N 3.11Å; N42-A44 WeakPolarHBondContact OD1-CB 3.44Å; N42-A44 PolarHBondContact OD1-N 2.98Å; N42-A44 VanDerWaalsContact OD1-N 3.1Å; N42-D45 WeakPolarHBondContact O-CB 3.48Å; N42-D45 VanDerWaalsContact O-CG 3.32Å; N42-D45 PolarHBondContact O-N 3.23Å; N42-D45 VanDerWaalsContact O-N 3.12Å
43P76.8Confident86.6Confident99 Ų9961.7 Ų61.764%0.64336%0.362SS*.G310 helixtrans-62.4-18.9178.225.9-35.2000113.8D45 L46P43-D45 PolarHBondContact O-N 3.41Å; P43-L46 WeakPolarHBondContact O-CB 3.29Å; P43-L46 PolarHBondContact O-N 3.27Å
44A81Confident86.5Confident45 Ų4561.7 Ų61.737%0.37236%0.363SS..G310 helixtrans-62.1-29.5174.900000112.9N42 L46 T47 V48N42-A44 PolarHBondContact O-N 3.49Å; N42-A44 VanDerWaalsContact O-N 3.11Å; N42-A44 WeakPolarHBondContact OD1-CB 3.44Å; N42-A44 PolarHBondContact OD1-N 2.98Å; N42-A44 VanDerWaalsContact OD1-N 3.1Å; A44-L46 PolarHBondContact O-N 2.94Å; A44-L46 VanDerWaalsContact O-N 3.15Å; A44-T47 WeakPolarHBondContact O-CA 3.39Å; A44-T47 PolarHBondContact O-N 2.9Å; A44-T47 PolarHBondContact O-OG1 3.34Å; A44-V48 PolarHBondContact O-N 3.47Å
45D83.2Confident86.5Confident62 Ų6261.1 Ų61.133%0.33236%0.357SS..G310 helixtrans-61.5-26.2-179.3-55.5-16.1000111.8T40 N42 P43 T47T40-D45 HydrophobicContact CG2-CB 3.95Å; N42-D45 WeakPolarHBondContact O-CB 3.48Å; N42-D45 VanDerWaalsContact O-CG 3.32Å; N42-D45 PolarHBondContact O-N 3.23Å; N42-D45 VanDerWaalsContact O-N 3.12Å; P43-D45 PolarHBondContact O-N 3.41Å; D45-T47 VanDerWaalsContact C-N 3.31Å
46L88.2Confident86.6Confident11 Ų1158.3 Ų58.36%0.05834%0.337CS..G310 helixtrans-76.7-17.6176.2-50.5-179.3000113.3L21 L37 T40 P43 A44 V76L21-L46 HydrophobicContact CD1-CD2 4.18Å; L37-L46 HydrophobicContact CD2-CD2 3.32Å; T40-L46 HydrophobicContact CG2-CD2 4.31Å; P43-L46 WeakPolarHBondContact O-CB 3.29Å; P43-L46 PolarHBondContact O-N 3.27Å; A44-L46 PolarHBondContact O-N 2.94Å; A44-L46 VanDerWaalsContact O-N 3.15Å; L46-V76 HydrophobicContact CD1-CB 4.49Å; L46-V76 HydrophobicContact CD1-CG2 3.81Å
47T90.9Very high86.8Confident98 Ų9855.9 Ų55.960%0.60132%0.324SS*.G310 helixtrans-103.3-0.3-179.162.40000113.4A44 D45 E49 T56A44-T47 WeakPolarHBondContact O-CA 3.39Å; A44-T47 PolarHBondContact O-N 2.9Å; A44-T47 PolarHBondContact O-OG1 3.34Å; D45-T47 VanDerWaalsContact C-N 3.31Å; T47-E49 PolarHBondContact O-N 3.49Å; T47-T56 WeakPolarHBondContact O-CG2 3.3Å
48V91.8Very high87.2Confident61 Ų6155 Ų5537%0.3732%0.319SS..PPolyproline II helixtrans-62.1126.6173.2174.30000109.3F19 H22 A44 T56F19-V48 HydrophobicContact CD1-CG1 4.34Å; F19-V48 HydrophobicContact CE1-CG1 3.95Å; H22-V48 PolarHBondContact NE2-O 3.43Å; A44-V48 PolarHBondContact O-N 3.47Å; V48-T56 WeakPolarHBondContact O-CA 3.4Å
49E93Very high87.6Confident49 Ų4947.6 Ų47.623%0.22929%0.285CS..PPolyproline II helixtrans-89.6146.5170.5-74.4-179.1-159.900111.4T47 G54 T56 S85T47-E49 PolarHBondContact O-N 3.49Å; E49-G54 VanDerWaalsContact CD-O 3.22Å; E49-G54 VanDerWaalsContact OE2-CA 3.3Å; E49-G54 WeakPolarHBondContact OE2-CA 3.33Å; E49-T56 HydrophobicContact CG-CG2 3.62Å; E49-S85 WeakPolarHBondContact OE1-CB 3.47Å; E49-S85 PolarHBondContact OE1-N 3.14Å; E49-S85 PolarHBondContact OE1-OG 3.3Å; E49-S85 WeakPolarHBondContact OE2-CB 3.27Å
50D90.1Very high88.3Confident4 Ų443.3 Ų43.32%0.02125%0.254CS..PPolyproline II helixtrans-75.1153.8170.983.285.4000113.2F19 F52 Y53 G54 W55 W60F19-D50 HydrophobicContact CD1-CB 4.4Å; F19-D50 HydrophobicContact CE1-CB 4.38Å; F19-D50 HydrophobicContact CG-CB 4.49Å; F19-D50 HydrophobicContact CZ-CB 4.44Å; D50-F52 VanDerWaalsContact C-N 3.32Å; D50-F52 HydrophobicContact CB-CD2 4.42Å; D50-F52 PolarHBondContact O-N 2.92Å; D50-F52 VanDerWaalsContact OD1-CA 3.27Å; D50-F52 WeakPolarHBondContact OD1-CA 3.48Å; D50-F52 VanDerWaalsContact OD1-CB 3.25Å; D50-F52 WeakPolarHBondContact OD1-CB 3.48Å; D50-F52 WeakPolarHBondContact OD1-CD2 3.49Å; D50-F52 PolarHBondContact OD1-N 3.44Å; D50-Y53 PolarHBondContact OD1-N 2.93Å; D50-G54 VanDerWaalsContact O-CA 3.32Å; D50-G54 WeakPolarHBondContact O-CA 3.37Å; D50-G54 PolarHBondContact O-N 2.89Å; D50-W55 PolarHBondContact N-O 3.39Å; D50-W55 WeakPolarHBondContact OD2-CB 3.44Å; D50-W55 PolarHBondContact OD2-N 3.38Å; D50-W60 PolarHBondContact OD2-NE1 2.89Å
51T87.7Confident89.1Confident89 Ų8941.6 Ų41.655%0.54624%0.243SC..THydrogen-bonded Turntrans-73.5-16.5-178.243.50000115F19 R86F19-T51 HydrophobicContact CZ-CG2 4.26Å; T51-R86 PolarHBondContact O-NH2 2.87Å
52F84.1Confident90.4Very high62 Ų6235.7 Ų35.727%0.27220%0.202SC..THydrogen-bonded Turntrans-87.3-49.6-174.1-48-82.8000111.3V14 L15 D50 R86V14-F52 HydrophobicContact CB-CZ 4.06Å; V14-F52 HydrophobicContact CG1-CE2 4.32Å; V14-F52 HydrophobicContact CG1-CZ 3.88Å; L15-F52 HydrophobicContact CD2-CD2 4.31Å; L15-F52 HydrophobicContact CD2-CE2 3.93Å; L15-F52 HydrophobicContact CG-CE2 4.07Å; D50-F52 VanDerWaalsContact C-N 3.32Å; D50-F52 HydrophobicContact CB-CD2 4.42Å; D50-F52 PolarHBondContact O-N 2.92Å; D50-F52 VanDerWaalsContact OD1-CA 3.27Å; D50-F52 WeakPolarHBondContact OD1-CA 3.48Å; D50-F52 VanDerWaalsContact OD1-CB 3.25Å; D50-F52 WeakPolarHBondContact OD1-CB 3.48Å; D50-F52 WeakPolarHBondContact OD1-CD2 3.49Å; D50-F52 PolarHBondContact OD1-N 3.44Å; F52-R86 VanDerWaalsContact C-NH2 3.26Å; F52-R86 PolarHBondContact O-NH1 3.48Å; F52-R86 PolarHBondContact O-NH2 3.15Å; F52-R86 VanDerWaalsContact O-NH2 3.14Å
53Y86.1Confident91.3Very high51 Ų5132.9 Ų32.920%0.219%0.187CC..THydrogen-bonded Turntrans-116.7-15.7-175.6-54.6-57.5000114.6D50 W55 W60 R86 L325 M329D50-Y53 PolarHBondContact OD1-N 2.93Å; Y53-W55 HydrophobicContact CD2-CE3 4.17Å; Y53-W55 HydrophobicContact CD2-CZ3 4.29Å; Y53-W55 HydrophobicContact CG-CD2 4.37Å; Y53-W55 HydrophobicContact CG-CE3 4.37Å; Y53-W60 HydrophobicContact CD2-CH2 4.29Å; Y53-W60 AromaticContact CD2-CZ2 3.81Å; Y53-W60 HydrophobicContact CD2-CZ2 3.81Å; Y53-W60 HydrophobicContact CE2-CH2 4.11Å; Y53-W60 HydrophobicContact CE2-CZ2 4.09Å; Y53-R86 WeakPolarHBondContact O-CD 3.31Å; Y53-R86 PolarHBondContact O-NE 2.96Å; Y53-L325 HydrophobicContact CD1-CD2 4.03Å; Y53-L325 HydrophobicContact CE1-CD2 3.67Å; Y53-M329 PolarHBondContact OH-SD 3.2Å
54G92.1Very high92.3Very high1 Ų130.2 Ų30.21%0.0117%0.165CC..  trans73.135.7-17300000111.4E49 D50 T84E49-G54 VanDerWaalsContact CD-O 3.22Å; E49-G54 VanDerWaalsContact OE2-CA 3.3Å; E49-G54 WeakPolarHBondContact OE2-CA 3.33Å; D50-G54 VanDerWaalsContact O-CA 3.32Å; D50-G54 WeakPolarHBondContact O-CA 3.37Å; D50-G54 PolarHBondContact O-N 2.89Å; G54-T84 WeakPolarHBondContact O-CB 3.3Å; G54-T84 WeakPolarHBondContact O-CG2 3.39Å
55W94.9Very high93.1Very high14 Ų1429.1 Ų29.15%0.05316%0.158CC..  trans-110.1134.8-177.2-70.5-1.1000109.6H22 D50 Y53 H59 H63 T84 I94H22-W55 PolarHBondContact CD2-O 3.17Å; H22-W55 VanDerWaalsContact CD2-O 3.23Å; D50-W55 PolarHBondContact N-O 3.39Å; D50-W55 WeakPolarHBondContact OD2-CB 3.44Å; D50-W55 PolarHBondContact OD2-N 3.38Å; Y53-W55 HydrophobicContact CD2-CE3 4.17Å; Y53-W55 HydrophobicContact CD2-CZ3 4.29Å; Y53-W55 HydrophobicContact CG-CD2 4.37Å; Y53-W55 HydrophobicContact CG-CE3 4.37Å; W55-H59 HydrophobicContact CB-CB 3.76Å; W55-H59 HydrophobicContact CG-CB 3.97Å; W55-H63 HydrophobicContact CE3-CB 4.44Å; W55-H63 HydrophobicContact CH2-CB 4.42Å; W55-H63 AromaticContact CH2-CD2 3.26Å; W55-H63 WeakPolarHBondContact CH2-CD2 3.45Å; W55-H63 AromaticContact CH2-CG 3.84Å; W55-H63 AromaticContact CH2-NE2 3.78Å; W55-H63 HydrophobicContact CZ3-CB 3.85Å; W55-H63 AromaticContact CZ3-CD2 3.48Å; W55-H63 VanDerWaalsContact CZ3-CD2 3.48Å; W55-H63 WeakPolarHBondContact CZ3-CD2 3.24Å; W55-H63 AromaticContact CZ3-CG 3.54Å; W55-T84 HydrophobicContact CG-CG2 4.49Å; W55-I94 HydrophobicContact CZ2-CD1 4.01Å
56T95.7Very high93.8Very high10 Ų1029.4 Ų29.46%0.06116%0.157CC..  trans-82.8170.3170.870.20000110.7T47 V48 E49 I58 H59 W60T47-T56 WeakPolarHBondContact O-CG2 3.3Å; V48-T56 WeakPolarHBondContact O-CA 3.4Å; E49-T56 HydrophobicContact CG-CG2 3.62Å; T56-I58 PolarHBondContact O-N 3.37Å; T56-I58 VanDerWaalsContact O-N 3.09Å; T56-I58 WeakPolarHBondContact OG1-CG2 3.19Å; T56-H59 WeakPolarHBondContact O-CB 3.37Å; T56-H59 PolarHBondContact O-N 2.89Å; T56-H59 PolarHBondContact OG1-ND1 2.92Å; T56-W60 PolarHBondContact O-N 3.34Å
57P96.1Very high94.3Very high0 Ų031.1 Ų31.10%017%0.165CC..Hα-helixtrans-55.3-33.1-176.3-27.635.8000114.7L21 C25 W60 A61 L73L21-P57 HydrophobicContact CB-CB 4.16Å; L21-P57 HydrophobicContact CB-CG 3.72Å; L21-P57 HydrophobicContact CD1-CG 4.45Å; C25-P57 WeakPolarHBondContact CB-O 3.4Å; P57-W60 PolarHBondContact O-N 3.33Å; P57-A61 WeakPolarHBondContact O-CB 3.4Å; P57-A61 PolarHBondContact O-N 3.38Å; P57-L73 HydrophobicContact CB-CD1 3.97Å; P57-L73 HydrophobicContact CB-CD2 4.3Å
58I97.6Very high94.7Very high2 Ų232.4 Ų32.41%0.0117%0.165CC..Hα-helixtrans-70.9-31.1178.1-172.1168.1000112.5T56 A62 V70 L73 V74 C78 P91T56-I58 PolarHBondContact O-N 3.37Å; T56-I58 VanDerWaalsContact O-N 3.09Å; T56-I58 WeakPolarHBondContact OG1-CG2 3.19Å; I58-A62 VanDerWaalsContact O-CB 3.25Å; I58-A62 WeakPolarHBondContact O-CB 3.17Å; I58-A62 PolarHBondContact O-N 2.87Å; I58-V70 HydrophobicContact CD1-CG1 4.4Å; I58-V70 HydrophobicContact CG1-CG1 4.33Å; I58-L73 VanDerWaalsContact CA-CD1 3.5Å; I58-L73 HydrophobicContact CB-CB 4.5Å; I58-L73 HydrophobicContact CB-CD1 3.84Å; I58-L73 HydrophobicContact CG1-CD1 4.48Å; I58-V74 HydrophobicContact CD1-CG2 3.58Å; I58-C78 HydrophobicContact CD1-CB 4.14Å; I58-P91 HydrophobicContact CD1-CG 4.06Å; I58-P91 HydrophobicContact CG1-CB 4.2Å; I58-P91 HydrophobicContact CG1-CG 3.92Å; I58-P91 HydrophobicContact CG2-CG 4.01Å
59H97.9Very high95Very high0 Ų029.6 Ų29.60%015%0.148CC..Hα-helixtrans-71.4-39.2173.8-63.495.4000110.9W55 T56 A62 H63 S82 Q89 P91 I94W55-H59 HydrophobicContact CB-CB 3.76Å; W55-H59 HydrophobicContact CG-CB 3.97Å; T56-H59 WeakPolarHBondContact O-CB 3.37Å; T56-H59 PolarHBondContact O-N 2.89Å; T56-H59 PolarHBondContact OG1-ND1 2.92Å; H59-A62 PolarHBondContact O-N 3.4Å; H59-H63 WeakPolarHBondContact O-CB 3.3Å; H59-H63 PolarHBondContact O-N 3.48Å; H59-S82 PolarHBondContact CE1-OG 3.18Å; H59-Q89 PolarHBondContact NE2-O 3.28Å; H59-P91 VanDerWaalsContact NE2-CD 3.35Å; H59-P91 WeakPolarHBondContact NE2-CD 3.43Å; H59-I94 HydrophobicContact CB-CG1 4.42Å; H59-I94 WeakPolarHBondContact O-CG2 3.21Å
60W97.1Very high95.2Very high12 Ų1227.2 Ų27.25%0.04514%0.137CC..Hα-helixtrans-62.7-47170.6-79.476.8000112L15 H22 C25 R26 D50 Y53 T56 P57 A62 H63 F64L15-W60 HydrophobicContact CD1-CH2 4.22Å; L15-W60 HydrophobicContact CD2-CH2 4.36Å; L15-W60 HydrophobicContact CD2-CZ2 4.28Å; H22-W60 HydrophobicContact CB-CD2 4.42Å; H22-W60 HydrophobicContact CB-CG 4.27Å; H22-W60 AromaticContact CD2-CD1 3.54Å; H22-W60 AromaticContact CD2-NE1 3.66Å; C25-W60 HydrophobicContact CB-CB 4.18Å; R26-W60 HydrophobicContact CB-CE3 3.74Å; R26-W60 HydrophobicContact CB-CZ3 4.09Å; R26-W60 HydrophobicContact CG-CE3 3.92Å; R26-W60 HydrophobicContact CG-CZ3 3.87Å; D50-W60 PolarHBondContact OD2-NE1 2.89Å; Y53-W60 HydrophobicContact CD2-CH2 4.29Å; Y53-W60 AromaticContact CD2-CZ2 3.81Å; Y53-W60 HydrophobicContact CD2-CZ2 3.81Å; Y53-W60 HydrophobicContact CE2-CH2 4.11Å; Y53-W60 HydrophobicContact CE2-CZ2 4.09Å; T56-W60 PolarHBondContact O-N 3.34Å; P57-W60 PolarHBondContact O-N 3.33Å; W60-A62 VanDerWaalsContact C-N 3.28Å; W60-A62 PolarHBondContact O-N 3.17Å; W60-H63 PolarHBondContact O-N 2.9Å; W60-H63 VanDerWaalsContact O-N 3.17Å; W60-F64 HydrophobicContact CE3-CD2 4.07Å; W60-F64 AromaticContact CE3-CE2 3.55Å; W60-F64 HydrophobicContact CE3-CE2 3.55Å; W60-F64 AromaticContact CZ3-CE2 3.79Å; W60-F64 HydrophobicContact CZ3-CE2 3.79Å; W60-F64 HydrophobicContact CZ3-CZ 4.37Å; W60-F64 WeakPolarHBondContact O-CD2 3.36Å; W60-F64 PolarHBondContact O-N 2.82Å; W60-F64 VanDerWaalsContact O-N 3.09Å
61A98.1Very high95.6Very high0 Ų029.9 Ų29.90%015%0.15CC..Hα-helixtrans-59.2-39.9176.800000112.1C25 P57 G65 K66 C69 V70 L73C25-A61 HydrophobicContact CB-CB 3.91Å; P57-A61 WeakPolarHBondContact O-CB 3.4Å; P57-A61 PolarHBondContact O-N 3.38Å; A61-G65 PolarHBondContact O-N 3.07Å; A61-K66 PolarHBondContact O-N 3.13Å; A61-C69 HydrophobicContact CB-CB 3.82Å; A61-V70 HydrophobicContact CB-CG2 3.56Å; A61-L73 HydrophobicContact CB-CD1 4.35Å
62A98.3Very high96Very high0 Ų029.3 Ų29.30%014%0.137CC..Hα-helixtrans-66.9-41.8174.500000112.8I58 H59 W60 F64 G65 P91 I94 A95 H100I58-A62 VanDerWaalsContact O-CB 3.25Å; I58-A62 WeakPolarHBondContact O-CB 3.17Å; I58-A62 PolarHBondContact O-N 2.87Å; H59-A62 PolarHBondContact O-N 3.4Å; W60-A62 VanDerWaalsContact C-N 3.28Å; W60-A62 PolarHBondContact O-N 3.17Å; A62-F64 VanDerWaalsContact C-N 3.33Å; A62-F64 PolarHBondContact O-N 3.17Å; A62-G65 PolarHBondContact O-N 2.93Å; A62-P91 HydrophobicContact CB-CB 4.2Å; A62-P91 WeakPolarHBondContact CB-O 3.39Å; A62-I94 HydrophobicContact CB-CB 4.45Å; A62-I94 HydrophobicContact CB-CG2 4.49Å; A62-A95 HydrophobicContact CB-CB 4.11Å; A62-H100 PolarHBondContact O-CD2 3.25Å
63H97.6Very high96.6Very high21 Ų2126.3 Ų26.310%0.09712%0.124CC..Hα-helixtrans-64.1-35.8-180-173.4-86.2000113W55 H59 W60 I94 H100 M329W55-H63 HydrophobicContact CE3-CB 4.44Å; W55-H63 HydrophobicContact CH2-CB 4.42Å; W55-H63 AromaticContact CH2-CD2 3.26Å; W55-H63 WeakPolarHBondContact CH2-CD2 3.45Å; W55-H63 AromaticContact CH2-CG 3.84Å; W55-H63 AromaticContact CH2-NE2 3.78Å; W55-H63 HydrophobicContact CZ3-CB 3.85Å; W55-H63 AromaticContact CZ3-CD2 3.48Å; W55-H63 VanDerWaalsContact CZ3-CD2 3.48Å; W55-H63 WeakPolarHBondContact CZ3-CD2 3.24Å; W55-H63 AromaticContact CZ3-CG 3.54Å; H59-H63 WeakPolarHBondContact O-CB 3.3Å; H59-H63 PolarHBondContact O-N 3.48Å; W60-H63 PolarHBondContact O-N 2.9Å; W60-H63 VanDerWaalsContact O-N 3.17Å; H63-I94 HydrophobicContact CB-CG2 3.53Å; H63-H100 PolarHBondContact O-CD2 3.06Å; H63-H100 PolarHBondContact O-NE2 3.18Å; H63-M329 WeakPolarHBondContact CE1-CE 3.4Å
64F97.1Very high97.1Very high42 Ų4225.4 Ų25.418%0.18412%0.124CC..THydrogen-bonded Turntrans-103.214.8-177.1-68.6-81.8000113.3R26 W60 A62 K66 M329 H333R26-F64 HydrophobicContact CB-CD2 4.37Å; R26-F64 HydrophobicContact CG-CD1 4.4Å; R26-F64 HydrophobicContact CG-CD2 3.92Å; R26-F64 HydrophobicContact CG-CE1 4.31Å; R26-F64 HydrophobicContact CG-CE2 3.84Å; R26-F64 HydrophobicContact CG-CG 4.22Å; R26-F64 HydrophobicContact CG-CZ 4.03Å; W60-F64 HydrophobicContact CE3-CD2 4.07Å; W60-F64 AromaticContact CE3-CE2 3.55Å; W60-F64 HydrophobicContact CE3-CE2 3.55Å; W60-F64 AromaticContact CZ3-CE2 3.79Å; W60-F64 HydrophobicContact CZ3-CE2 3.79Å; W60-F64 HydrophobicContact CZ3-CZ 4.37Å; W60-F64 WeakPolarHBondContact O-CD2 3.36Å; W60-F64 PolarHBondContact O-N 2.82Å; W60-F64 VanDerWaalsContact O-N 3.09Å; A62-F64 VanDerWaalsContact C-N 3.33Å; A62-F64 PolarHBondContact O-N 3.17Å; F64-K66 HydrophobicContact CB-CG 4.15Å; F64-K66 VanDerWaalsContact O-CD 3.27Å; F64-K66 WeakPolarHBondContact O-CD 3.38Å; F64-K66 WeakPolarHBondContact O-CE 3.24Å; F64-K66 WeakPolarHBondContact O-CG 3.33Å; F64-K66 PolarHBondContact O-N 3.41Å; F64-M329 HydrophobicContact CZ-CE 4.43Å; F64-H333 AromaticContact CE1-NE2 3.5Å; F64-H333 WeakPolarHBondContact CE1-NE2 3.4Å; F64-H333 AromaticContact CZ-NE2 3.71Å
65G97.6Very high97.2Very high23 Ų2331.1 Ų31.124%0.23715%0.151CC..THydrogen-bonded Turntrans68.818171.100000114.7A61 A62 L67 H100A61-G65 PolarHBondContact O-N 3.07Å; A62-G65 PolarHBondContact O-N 2.93Å; G65-L67 VanDerWaalsContact C-N 3.28Å; G65-L67 PolarHBondContact O-N 2.79Å; G65-H100 WeakPolarHBondContact CA-CD2 3.43Å; G65-H100 VanDerWaalsContact CA-CG 3.41Å; G65-H100 PolarHBondContact N-CD2 3.29Å; G65-H100 PolarHBondContact N-NE2 3.2Å
66K98.4Very high97Very high68 Ų6833.1 Ų33.130%0.29616%0.164SC..  trans-82.671.5-173.4-51.1-54.3179.7155.90110.6C25 R26 D27 A61 F64 E68 C69 V70C25-K66 VanDerWaalsContact O-CG 3.23Å; C25-K66 WeakPolarHBondContact O-CG 3.42Å; R26-K66 WeakPolarHBondContact O-CE 3.28Å; D27-K66 PolarHBondContact O-NZ 3.44Å; A61-K66 PolarHBondContact O-N 3.13Å; F64-K66 HydrophobicContact CB-CG 4.15Å; F64-K66 VanDerWaalsContact O-CD 3.27Å; F64-K66 WeakPolarHBondContact O-CD 3.38Å; F64-K66 WeakPolarHBondContact O-CE 3.24Å; F64-K66 WeakPolarHBondContact O-CG 3.33Å; F64-K66 PolarHBondContact O-N 3.41Å; K66-E68 VanDerWaalsContact C-N 3.29Å; K66-E68 PolarHBondContact O-N 3.45Å; K66-C69 HydrophobicContact CB-CB 3.9Å; K66-C69 WeakPolarHBondContact O-CA 3.41Å; K66-C69 WeakPolarHBondContact O-CB 3.4Å; K66-C69 PolarHBondContact O-N 3.42Å; K66-V70 PolarHBondContact O-N 3.02Å
67L98.4Very high96.8Very high46 Ų4635.6 Ų35.624%0.24119%0.192CC..Hα-helixtrans-49.4-46.6-175.5174.260.6000112.8G65 C69 V70 M71 E102 C103 W106G65-L67 VanDerWaalsContact C-N 3.28Å; G65-L67 PolarHBondContact O-N 2.79Å; L67-C69 VanDerWaalsContact C-N 3.31Å; L67-C69 PolarHBondContact O-N 3.39Å; L67-V70 WeakPolarHBondContact O-CB 3.44Å; L67-V70 PolarHBondContact O-N 3.05Å; L67-V70 VanDerWaalsContact O-N 3.15Å; L67-M71 HydrophobicContact CD1-CG 4.05Å; L67-M71 HydrophobicContact CD1-SD 4.09Å; L67-M71 HydrophobicContact CG-CG 4.37Å; L67-M71 HydrophobicContact CG-SD 3.91Å; L67-M71 VanDerWaalsContact O-CG 3.28Å; L67-M71 WeakPolarHBondContact O-CG 3.27Å; L67-M71 PolarHBondContact O-N 3.33Å; L67-E102 HydrophobicContact CD2-CB 4.35Å; L67-C103 VanDerWaalsContact CA-SG 3.53Å; L67-C103 PolarHBondContact N-SG 2.89Å; L67-W106 HydrophobicContact CD1-CB 3.52Å; L67-W106 HydrophobicContact CD1-CD2 4.24Å; L67-W106 HydrophobicContact CD1-CG 3.7Å
68E98.3Very high96.7Very high125 Ų12536.2 Ų36.258%0.58420%0.196SC*.Hα-helixtrans-64.9-34.7-179.9-167.3172.9-177.300112.4V30 K66 M71 R72V30-E68 HydrophobicContact CG1-CG 4.05Å; V30-E68 HydrophobicContact CG2-CB 3.87Å; V30-E68 HydrophobicContact CG2-CG 3.76Å; K66-E68 VanDerWaalsContact C-N 3.29Å; K66-E68 PolarHBondContact O-N 3.45Å; E68-M71 PolarHBondContact O-N 3.3Å; E68-R72 VanDerWaalsContact O-CB 3.27Å; E68-R72 WeakPolarHBondContact O-CB 3.3Å; E68-R72 PolarHBondContact O-N 3.04Å
69C98.1Very high96.5Very high2 Ų238.1 Ų38.11%0.01422%0.216CC..Hα-helixtrans-66.6-42.8171.8-62.30000111.7L33 A61 K66 L67 R72 L73L33-C69 HydrophobicContact CD2-CB 3.65Å; A61-C69 HydrophobicContact CB-CB 3.82Å; K66-C69 HydrophobicContact CB-CB 3.9Å; K66-C69 WeakPolarHBondContact O-CA 3.41Å; K66-C69 WeakPolarHBondContact O-CB 3.4Å; K66-C69 PolarHBondContact O-N 3.42Å; L67-C69 VanDerWaalsContact C-N 3.31Å; L67-C69 PolarHBondContact O-N 3.39Å; C69-R72 PolarHBondContact O-N 2.64Å; C69-L73 WeakPolarHBondContact O-CB 3.26Å; C69-L73 VanDerWaalsContact O-CG 3.28Å; C69-L73 WeakPolarHBondContact O-CG 3.43Å; C69-L73 PolarHBondContact O-N 2.95Å
70V98.2Very high96.4Very high0 Ų038.9 Ų38.90%022%0.22CC..Hα-helixtrans-59-49.4174.2177.30000110.5I58 A61 K66 L67 R72 L73 V74 W106 L107I58-V70 HydrophobicContact CD1-CG1 4.4Å; I58-V70 HydrophobicContact CG1-CG1 4.33Å; A61-V70 HydrophobicContact CB-CG2 3.56Å; K66-V70 PolarHBondContact O-N 3.02Å; L67-V70 WeakPolarHBondContact O-CB 3.44Å; L67-V70 PolarHBondContact O-N 3.05Å; L67-V70 VanDerWaalsContact O-N 3.15Å; V70-R72 PolarHBondContact O-N 3.28Å; V70-L73 PolarHBondContact O-N 3.19Å; V70-V74 WeakPolarHBondContact O-CG2 3.21Å; V70-V74 PolarHBondContact O-N 3.42Å; V70-W106 HydrophobicContact CG1-CE3 4.02Å; V70-W106 HydrophobicContact CG1-CZ3 4.02Å; V70-L107 HydrophobicContact CG1-CD1 4.41Å; V70-L107 HydrophobicContact CG1-CD2 3.65Å; V70-L107 HydrophobicContact CG1-CG 3.98Å
71M98Very high96.4Very high59 Ų5941.9 Ų41.929%0.29124%0.237SC..Hα-helixtrans-57.2-47.5176.9-71173.565.700111.5L67 E68 L73 V74 Q75 W106L67-M71 HydrophobicContact CD1-CG 4.05Å; L67-M71 HydrophobicContact CD1-SD 4.09Å; L67-M71 HydrophobicContact CG-CG 4.37Å; L67-M71 HydrophobicContact CG-SD 3.91Å; L67-M71 VanDerWaalsContact O-CG 3.28Å; L67-M71 WeakPolarHBondContact O-CG 3.27Å; L67-M71 PolarHBondContact O-N 3.33Å; E68-M71 PolarHBondContact O-N 3.3Å; M71-L73 PolarHBondContact O-N 3.39Å; M71-V74 PolarHBondContact O-N 3.49Å; M71-Q75 VanDerWaalsContact O-CG 3.25Å; M71-Q75 WeakPolarHBondContact O-CG 3.48Å; M71-Q75 PolarHBondContact O-N 3.45Å; M71-W106 HydrophobicContact CB-CH2 4.47Å; M71-W106 HydrophobicContact CB-CZ2 4.3Å; M71-W106 HydrophobicContact CG-CD2 3.82Å; M71-W106 HydrophobicContact CG-CE3 4.23Å; M71-W106 HydrophobicContact CG-CG 4.36Å; M71-W106 HydrophobicContact CG-CH2 4.2Å; M71-W106 HydrophobicContact CG-CZ2 3.77Å; M71-W106 HydrophobicContact CG-CZ3 4.4Å
72R96.7Very high96.3Very high77 Ų7743.4 Ų43.429%0.29125%0.248SC..Hα-helixtrans-66.4-38-177.6-165.772.3-170.6113.710112.5L33 C34 L37 E68 C69 V70 Q75 V76L33-R72 HydrophobicContact CD2-CB 4.27Å; C34-R72 PolarHBondContact SG-NE 3.14Å; L37-R72 HydrophobicContact CD1-CG 4.07Å; E68-R72 VanDerWaalsContact O-CB 3.27Å; E68-R72 WeakPolarHBondContact O-CB 3.3Å; E68-R72 PolarHBondContact O-N 3.04Å; C69-R72 PolarHBondContact O-N 2.64Å; V70-R72 PolarHBondContact O-N 3.28Å; R72-Q75 PolarHBondContact O-N 3Å; R72-V76 PolarHBondContact O-N 3Å
73L96.3Very high96.2Very high0 Ų046.3 Ų46.30%027%0.266CS..Hα-helixtrans-65.3-45.3175.3-76.3172.4000112L33 L37 P57 I58 A61 C69 V70 M71 Q75 V76 G77 C78L33-L73 HydrophobicContact CD1-CD2 4.18Å; L33-L73 HydrophobicContact CD2-CG 4.48Å; L37-L73 HydrophobicContact CD1-CD2 4.42Å; L37-L73 HydrophobicContact CD2-CD2 4.31Å; P57-L73 HydrophobicContact CB-CD1 3.97Å; P57-L73 HydrophobicContact CB-CD2 4.3Å; I58-L73 VanDerWaalsContact CA-CD1 3.5Å; I58-L73 HydrophobicContact CB-CB 4.5Å; I58-L73 HydrophobicContact CB-CD1 3.84Å; I58-L73 HydrophobicContact CG1-CD1 4.48Å; A61-L73 HydrophobicContact CB-CD1 4.35Å; C69-L73 WeakPolarHBondContact O-CB 3.26Å; C69-L73 VanDerWaalsContact O-CG 3.28Å; C69-L73 WeakPolarHBondContact O-CG 3.43Å; C69-L73 PolarHBondContact O-N 2.95Å; V70-L73 PolarHBondContact O-N 3.19Å; M71-L73 PolarHBondContact O-N 3.39Å; L73-Q75 VanDerWaalsContact C-N 3.31Å; L73-Q75 PolarHBondContact O-N 2.84Å; L73-V76 WeakPolarHBondContact O-CG2 3.34Å; L73-V76 PolarHBondContact O-N 3.4Å; L73-G77 PolarHBondContact O-N 3.36Å; L73-C78 HydrophobicContact CB-CB 4.12Å; L73-C78 VanDerWaalsContact O-CB 3.27Å; L73-C78 WeakPolarHBondContact O-CB 3.22Å; L73-C78 PolarHBondContact O-N 2.99Å; L73-C78 PolarHBondContact O-SG 3.42Å; L73-C78 VanDerWaalsContact O-SG 3.37Å
74V95.8Very high96.1Very high32 Ų3245.3 Ų45.319%0.19426%0.261CS..Hα-helixtrans-64.9-36.7176.9174.10000111.4I58 V70 M71 V76 G77 V80 W106I58-V74 HydrophobicContact CD1-CG2 3.58Å; V70-V74 WeakPolarHBondContact O-CG2 3.21Å; V70-V74 PolarHBondContact O-N 3.42Å; M71-V74 PolarHBondContact O-N 3.49Å; V74-V76 VanDerWaalsContact C-N 3.26Å; V74-V76 PolarHBondContact O-N 2.94Å; V74-G77 PolarHBondContact O-N 3.38Å; V74-V80 HydrophobicContact CB-CG2 4.43Å; V74-V80 HydrophobicContact CG1-CG2 3.63Å; V74-V80 HydrophobicContact CG2-CG2 3.83Å; V74-W106 HydrophobicContact CB-CH2 3.87Å; V74-W106 HydrophobicContact CB-CZ3 4.16Å; V74-W106 HydrophobicContact CG1-CH2 3.95Å; V74-W106 HydrophobicContact CG1-CZ3 4.44Å; V74-W106 HydrophobicContact CG2-CH2 4.2Å; V74-W106 HydrophobicContact CG2-CZ3 3.96Å
75Q94.3Very high96Very high121 Ų12147.4 Ų47.457%0.56528%0.281SS*.Hα-helixtrans-60.6-29.3174.3-74.7168.313.200114.3M71 R72 L73 G77M71-Q75 VanDerWaalsContact O-CG 3.25Å; M71-Q75 WeakPolarHBondContact O-CG 3.48Å; M71-Q75 PolarHBondContact O-N 3.45Å; R72-Q75 PolarHBondContact O-N 3Å; L73-Q75 VanDerWaalsContact C-N 3.31Å; L73-Q75 PolarHBondContact O-N 2.84Å; Q75-G77 VanDerWaalsContact C-N 3.35Å
76V92.3Very high95.8Very high56 Ų5650.5 Ų50.534%0.33929%0.286SS..THydrogen-bonded Turntrans-92.36.9175.9-610000113.4L37 L46 R72 L73 V74L37-V76 HydrophobicContact CD1-CG1 4.24Å; L37-V76 HydrophobicContact CD1-CG2 4.04Å; L37-V76 HydrophobicContact CD2-CG2 4.05Å; L46-V76 HydrophobicContact CD1-CB 4.49Å; L46-V76 HydrophobicContact CD1-CG2 3.81Å; R72-V76 PolarHBondContact O-N 3Å; L73-V76 WeakPolarHBondContact O-CG2 3.34Å; L73-V76 PolarHBondContact O-N 3.4Å; V74-V76 VanDerWaalsContact C-N 3.26Å; V74-V76 PolarHBondContact O-N 2.94Å
77G90.4Very high95.6Very high62 Ų6250.3 Ų50.364%0.63929%0.285SS*.THydrogen-bonded Turntrans105.98.2172.200000116L73 V74 Q75 G79L73-G77 PolarHBondContact O-N 3.36Å; V74-G77 PolarHBondContact O-N 3.38Å; Q75-G77 VanDerWaalsContact C-N 3.35Å; G77-G79 PolarHBondContact O-N 3.13Å
78C93.4Very high95.5Very high13 Ų1348.3 Ų48.39%0.08828%0.275CS..  trans-61.2124.9171.2-68.20000110.7I58 L73 V80I58-C78 HydrophobicContact CD1-CB 4.14Å; L73-C78 HydrophobicContact CB-CB 4.12Å; L73-C78 VanDerWaalsContact O-CB 3.27Å; L73-C78 WeakPolarHBondContact O-CB 3.22Å; L73-C78 PolarHBondContact O-N 2.99Å; L73-C78 PolarHBondContact O-SG 3.42Å; L73-C78 VanDerWaalsContact O-SG 3.37Å; C78-V80 PolarHBondContact O-N 3.46Å
79G93.8Very high95.5Very high42 Ų4243.4 Ų43.443%0.43325%0.252SS..  trans-64.4120.4178.100000111.7G77 N81 S82G77-G79 PolarHBondContact O-N 3.13Å; G79-N81 PolarHBondContact O-N 2.88Å; G79-N81 VanDerWaalsContact O-N 3.17Å; G79-S82 WeakPolarHBondContact O-CB 3.31Å; G79-S82 PolarHBondContact O-N 3.42Å; G79-S82 PolarHBondContact O-OG 3.28Å; G79-S82 VanDerWaalsContact O-OG 3.05Å
80V96.7Very high95.5Very high15 Ų1543.3 Ų43.39%0.09125%0.251CS..THydrogen-bonded Turntrans-55.8-32175.9176.20000112.3V74 C78 L107 A110 A112V74-V80 HydrophobicContact CB-CG2 4.43Å; V74-V80 HydrophobicContact CG1-CG2 3.63Å; V74-V80 HydrophobicContact CG2-CG2 3.83Å; C78-V80 PolarHBondContact O-N 3.46Å; V80-L107 HydrophobicContact CG1-CD2 4.1Å; V80-L107 WeakPolarHBondContact CG1-O 3.08Å; V80-A110 HydrophobicContact CG1-CB 4.21Å; V80-A110 HydrophobicContact CG2-CB 3.9Å; V80-A112 HydrophobicContact CG1-CB 3.69Å
81N96.8Very high95.5Very high75 Ų7543.3 Ų43.340%0.40125%0.251SS..THydrogen-bonded Turntrans-103.626.5174.6-65.4-68.5000112.9G79 G111 A112 D113G79-N81 PolarHBondContact O-N 2.88Å; G79-N81 VanDerWaalsContact O-N 3.17Å; N81-G111 PolarHBondContact ND2-O 3.12Å; N81-A112 WeakPolarHBondContact OD1-CA 3.41Å; N81-D113 PolarHBondContact OD1-N 3.46Å
82S95.3Very high95.5Very high33 Ų3340.5 Ų40.523%0.23124%0.238CC..  trans-55.8147.7165.661.80000109.8H59 G79 T90 P91H59-S82 PolarHBondContact CE1-OG 3.18Å; G79-S82 WeakPolarHBondContact O-CB 3.31Å; G79-S82 PolarHBondContact O-N 3.42Å; G79-S82 PolarHBondContact O-OG 3.28Å; G79-S82 VanDerWaalsContact O-OG 3.05Å; S82-T90 WeakPolarHBondContact O-CA 3.35Å; S82-P91 VanDerWaalsContact O-CD 3.31Å; S82-P91 WeakPolarHBondContact O-CD 3.5Å
83V96.8Very high95.6Very high60 Ų6036.9 Ų36.936%0.36422%0.224SC..  trans-126.9143.1-178.8-71.10000111.1A88 Q89 T90V83-A88 HydrophobicContact CB-CB 4.43Å; V83-A88 WeakPolarHBondContact CG1-O 3.49Å; V83-Q89 CarbonylContact C-O 3.53Å; V83-Q89 WeakPolarHBondContact CA-O 3.24Å; V83-T90 HydrophobicContact CG1-CG2 3.74Å
84T96.1Very high95.7Very high1 Ų137 Ų371%0.00623%0.225CC..  trans-71.8137.5174.5610000111.4G54 W55 R86 F87 A88 Q89G54-T84 WeakPolarHBondContact O-CB 3.3Å; G54-T84 WeakPolarHBondContact O-CG2 3.39Å; W55-T84 HydrophobicContact CG-CG2 4.49Å; T84-R86 PolarHBondContact O-N 2.93Å; T84-F87 PolarHBondContact O-N 3.27Å; T84-A88 WeakPolarHBondContact O-CA 3.35Å; T84-A88 PolarHBondContact O-N 2.99Å; T84-Q89 PolarHBondContact N-O 3.43Å; T84-Q89 PolarHBondContact OG1-N 3.28Å; T84-Q89 VanDerWaalsContact OG1-N 3.15Å
85S94.4Very high95.8Very high85 Ų8535.5 Ų35.559%0.59422%0.215SC*.THydrogen-bonded Turntrans-65.3-27.4-175-61.50000113.3E49E49-S85 WeakPolarHBondContact OE1-CB 3.47Å; E49-S85 PolarHBondContact OE1-N 3.14Å; E49-S85 PolarHBondContact OE1-OG 3.3Å; E49-S85 WeakPolarHBondContact OE2-CB 3.27Å
86R92.4Very high96Very high89 Ų8929.8 Ų29.834%0.33619%0.189SC..THydrogen-bonded Turntrans-75.5-41.2-178.5-59.2-170.8-169.5-174.54.8114.3T51 F52 Y53 T84 Y119T51-R86 PolarHBondContact O-NH2 2.87Å; F52-R86 VanDerWaalsContact C-NH2 3.26Å; F52-R86 PolarHBondContact O-NH1 3.48Å; F52-R86 PolarHBondContact O-NH2 3.15Å; F52-R86 VanDerWaalsContact O-NH2 3.14Å; Y53-R86 WeakPolarHBondContact O-CD 3.31Å; Y53-R86 PolarHBondContact O-NE 2.96Å; T84-R86 PolarHBondContact O-N 2.93Å; R86-Y119 WeakPolarHBondContact O-CD2 3.43Å
87F94.3Very high96.3Very high63 Ų6330.5 Ų30.528%0.27619%0.187SC..THydrogen-bonded Turntrans-132.9-0.8-167.3-64.4-63.8000113.9T84 Q89 D118 Y119T84-F87 PolarHBondContact O-N 3.27Å; F87-Q89 HydrophobicContact CB-CG 3.86Å; F87-Q89 PolarHBondContact O-N 2.83Å; F87-D118 VanDerWaalsContact O-CB 3.31Å; F87-D118 WeakPolarHBondContact O-CB 3.34Å; F87-Y119 VanDerWaalsContact C-CD2 3.42Å; F87-Y119 VanDerWaalsContact CA-CD2 3.48Å; F87-Y119 PolarHBondContact O-N 3.38Å
88A97.1Very high96.6Very high4 Ų428.8 Ų28.83%0.03317%0.17CC..  trans54.329.8-17100000115V83 T84 Y119V83-A88 HydrophobicContact CB-CB 4.43Å; V83-A88 WeakPolarHBondContact CG1-O 3.49Å; T84-A88 WeakPolarHBondContact O-CA 3.35Å; T84-A88 PolarHBondContact O-N 2.99Å; A88-Y119 HydrophobicContact CB-CD1 3.51Å; A88-Y119 HydrophobicContact CB-CD2 4.23Å; A88-Y119 HydrophobicContact CB-CE1 3.4Å; A88-Y119 VanDerWaalsContact CB-CE1 3.4Å; A88-Y119 HydrophobicContact CB-CE2 4.11Å; A88-Y119 HydrophobicContact CB-CG 3.92Å
89Q97.6Very high96.8Very high23 Ų2329.2 Ų29.211%0.10718%0.176CC..  trans-80.7136.3179.6-71.7167.7-6.900110.3H59 V83 T84 F87 H93 I94 D118H59-Q89 PolarHBondContact NE2-O 3.28Å; V83-Q89 CarbonylContact C-O 3.53Å; V83-Q89 WeakPolarHBondContact CA-O 3.24Å; T84-Q89 PolarHBondContact N-O 3.43Å; T84-Q89 PolarHBondContact OG1-N 3.28Å; T84-Q89 VanDerWaalsContact OG1-N 3.15Å; F87-Q89 HydrophobicContact CB-CG 3.86Å; F87-Q89 PolarHBondContact O-N 2.83Å; Q89-H93 HydrophobicContact CB-CB 3.97Å; Q89-H93 HydrophobicContact CG-CB 4.22Å; Q89-I94 HydrophobicContact CB-CD1 4.05Å; Q89-D118 HydrophobicContact CG-CB 3.7Å; Q89-D118 WeakPolarHBondContact CG-OD2 3.36Å; Q89-D118 PolarHBondContact NE2-OD2 2.85Å
90T98.3Very high97Very high0 Ų030 Ų300%017%0.169CC..  trans-90.7167.3175.358.70000111.7S82 V83 T92 H93 I94 R116S82-T90 WeakPolarHBondContact O-CA 3.35Å; V83-T90 HydrophobicContact CG1-CG2 3.74Å; T90-T92 PolarHBondContact O-N 2.97Å; T90-T92 VanDerWaalsContact O-N 3.1Å; T90-T92 PolarHBondContact OG1-OG1 2.85Å; T90-H93 PolarHBondContact N-ND1 3.05Å; T90-H93 WeakPolarHBondContact O-CB 3.28Å; T90-H93 PolarHBondContact O-N 3.27Å; T90-H93 PolarHBondContact OG1-N 2.88Å; T90-H93 PolarHBondContact OG1-ND1 3.41Å; T90-I94 PolarHBondContact O-N 2.95Å; T90-R116 HydrophobicContact CG2-CG 4.22Å
91P98.4Very high97Very high0 Ų031 Ų310%018%0.175CC..Hα-helixtrans-53.1-30.4170.3-29.337.7000113.8I58 H59 A62 S82 I94 A95 L107I58-P91 HydrophobicContact CD1-CG 4.06Å; I58-P91 HydrophobicContact CG1-CB 4.2Å; I58-P91 HydrophobicContact CG1-CG 3.92Å; I58-P91 HydrophobicContact CG2-CG 4.01Å; H59-P91 VanDerWaalsContact NE2-CD 3.35Å; H59-P91 WeakPolarHBondContact NE2-CD 3.43Å; A62-P91 HydrophobicContact CB-CB 4.2Å; A62-P91 WeakPolarHBondContact CB-O 3.39Å; S82-P91 VanDerWaalsContact O-CD 3.31Å; S82-P91 WeakPolarHBondContact O-CD 3.5Å; P91-I94 PolarHBondContact O-N 3.36Å; P91-A95 WeakPolarHBondContact O-CB 3.07Å; P91-A95 PolarHBondContact O-N 3.1Å; P91-L107 HydrophobicContact CB-CD1 3.69Å; P91-L107 HydrophobicContact CB-CD2 3.99Å
92T98.4Very high97.1Very high0 Ų034.1 Ų34.10%019%0.188CC..Hα-helixtrans-70.7-33.1173.844.10000114T90 I94 A96 L104 L107 L108 A112T90-T92 PolarHBondContact O-N 2.97Å; T90-T92 VanDerWaalsContact O-N 3.1Å; T90-T92 PolarHBondContact OG1-OG1 2.85Å; T92-I94 VanDerWaalsContact C-N 3.34Å; T92-A96 WeakPolarHBondContact O-CB 3.25Å; T92-A96 PolarHBondContact O-N 3.35Å; T92-A96 VanDerWaalsContact O-N 3.12Å; T92-L104 HydrophobicContact CG2-CD1 4Å; T92-L104 WeakPolarHBondContact O-CD1 3.39Å; T92-L107 HydrophobicContact CG2-CB 3.56Å; T92-L107 HydrophobicContact CG2-CD1 4.12Å; T92-L107 HydrophobicContact CG2-CG 4.45Å; T92-L108 HydrophobicContact CG2-CD2 4.31Å; T92-L108 HydrophobicContact CG2-CG 4.36Å; T92-A112 HydrophobicContact CG2-CB 3.33Å
93H98.6Very high97.2Very high1 Ų132.6 Ų32.61%0.00518%0.177CC..Hα-helixtrans-63.7-43.9170.4-73.181.3000110.9Q89 T90 A96 F97 R116 E122 T123 K127Q89-H93 HydrophobicContact CB-CB 3.97Å; Q89-H93 HydrophobicContact CG-CB 4.22Å; T90-H93 PolarHBondContact N-ND1 3.05Å; T90-H93 WeakPolarHBondContact O-CB 3.28Å; T90-H93 PolarHBondContact O-N 3.27Å; T90-H93 PolarHBondContact OG1-N 2.88Å; T90-H93 PolarHBondContact OG1-ND1 3.41Å; H93-A96 PolarHBondContact O-N 3.02Å; H93-F97 WeakPolarHBondContact O-CB 3.37Å; H93-F97 PolarHBondContact O-N 3.38Å; H93-R116 PolarHBondContact CE1-O 3.41Å; H93-R116 PolarHBondContact NE2-O 3.49Å; H93-E122 PolarHBondContact NE2-O 3.45Å; H93-T123 WeakPolarHBondContact NE2-CA 3.32Å; H93-K127 HydrophobicContact CB-CG 4.11Å
94I98.3Very high97.3Very high3 Ų329.8 Ų29.82%0.01516%0.16CC..Hα-helixtrans-73.5-41.4-175.7-55.5-55.1000111.7W55 H59 A62 H63 Q89 T90 P91 T92 A96 F97 G98W55-I94 HydrophobicContact CZ2-CD1 4.01Å; H59-I94 HydrophobicContact CB-CG1 4.42Å; H59-I94 WeakPolarHBondContact O-CG2 3.21Å; A62-I94 HydrophobicContact CB-CB 4.45Å; A62-I94 HydrophobicContact CB-CG2 4.49Å; H63-I94 HydrophobicContact CB-CG2 3.53Å; Q89-I94 HydrophobicContact CB-CD1 4.05Å; T90-I94 PolarHBondContact O-N 2.95Å; P91-I94 PolarHBondContact O-N 3.36Å; T92-I94 VanDerWaalsContact C-N 3.34Å; I94-A96 VanDerWaalsContact C-N 3.32Å; I94-A96 PolarHBondContact O-N 3.26Å; I94-F97 PolarHBondContact O-N 3.38Å; I94-G98 PolarHBondContact O-N 3.06Å
95A98.6Very high97.4Very high0 Ų032.2 Ų32.20%017%0.172CC..Hα-helixtrans-63.3-36.917300000112.6A62 P91 G99 H100 C103 L104 L107A62-A95 HydrophobicContact CB-CB 4.11Å; P91-A95 WeakPolarHBondContact O-CB 3.07Å; P91-A95 PolarHBondContact O-N 3.1Å; A95-G99 PolarHBondContact O-N 3.05Å; A95-H100 PolarHBondContact O-N 3.37Å; A95-C103 HydrophobicContact CB-CB 4.05Å; A95-L104 HydrophobicContact CB-CB 4.23Å; A95-L104 HydrophobicContact CB-CD1 4.49Å; A95-L107 HydrophobicContact CB-CD1 4.28Å
96A98.6Very high97.6Very high0 Ų031.1 Ų31.10%016%0.155CC..Hα-helixtrans-68.9-35.9174.600000112.5T92 H93 I94 G99 L104 P124 K127 A128 L140T92-A96 WeakPolarHBondContact O-CB 3.25Å; T92-A96 PolarHBondContact O-N 3.35Å; T92-A96 VanDerWaalsContact O-N 3.12Å; H93-A96 PolarHBondContact O-N 3.02Å; I94-A96 VanDerWaalsContact C-N 3.32Å; I94-A96 PolarHBondContact O-N 3.26Å; A96-G99 PolarHBondContact O-N 2.81Å; A96-L104 HydrophobicContact CB-CD1 4.15Å; A96-L104 HydrophobicContact CB-CD2 4Å; A96-P124 HydrophobicContact CB-CB 4.17Å; A96-P124 VanDerWaalsContact CB-O 3.24Å; A96-P124 WeakPolarHBondContact CB-O 3.45Å; A96-K127 HydrophobicContact CB-CB 4.21Å; A96-A128 HydrophobicContact CB-CB 4.17Å; A96-A128 WeakPolarHBondContact O-CA 3.36Å; A96-L140 HydrophobicContact CB-CD1 4.49Å
97F98.2Very high97.9Very high71 Ų7126.9 Ų26.931%0.31114%0.139SC..Hα-helixtrans-71.5-39.1174.5-169.6-110.3000112.9H93 I94 G99 K127 R130 A131H93-F97 WeakPolarHBondContact O-CB 3.37Å; H93-F97 PolarHBondContact O-N 3.38Å; I94-F97 PolarHBondContact O-N 3.38Å; F97-G99 PolarHBondContact O-N 3.18Å; F97-K127 HydrophobicContact CB-CB 4.14Å; F97-R130 HydrophobicContact CE2-CB 4.41Å; F97-A131 WeakPolarHBondContact O-CB 3.34Å
98G96.1Very high98.1Very high26 Ų2624.9 Ų24.927%0.26813%0.131SC..THydrogen-bonded Turntrans-70.8-7.1172.900000114.2I94 H100I94-G98 PolarHBondContact O-N 3.06Å; G98-H100 PolarHBondContact O-CD2 2.73Å; G98-H100 PolarHBondContact O-CE1 3.44Å; G98-H100 PolarHBondContact O-NE2 2.77Å
99G97.4Very high98.2Very high22 Ų2231.3 Ų31.323%0.22716%0.161CC..THydrogen-bonded Turntrans70.533.6-179.800000113.9A95 A96 F97 P101 S133A95-G99 PolarHBondContact O-N 3.05Å; A96-G99 PolarHBondContact O-N 2.81Å; F97-G99 PolarHBondContact O-N 3.18Å; G99-P101 WeakPolarHBondContact O-CD 3.25Å; G99-S133 WeakPolarHBondContact CA-OG 3.45Å
100H98.4Very high98.2Very high59 Ų5932 Ų3227%0.27317%0.171SC..  trans-107.983.7-172.9-64.5-46.4000112.8A62 H63 G65 A95 G98 E102 C103 L104 C136A62-H100 PolarHBondContact O-CD2 3.25Å; H63-H100 PolarHBondContact O-CD2 3.06Å; H63-H100 PolarHBondContact O-NE2 3.18Å; G65-H100 WeakPolarHBondContact CA-CD2 3.43Å; G65-H100 VanDerWaalsContact CA-CG 3.41Å; G65-H100 PolarHBondContact N-CD2 3.29Å; G65-H100 PolarHBondContact N-NE2 3.2Å; A95-H100 PolarHBondContact O-N 3.37Å; G98-H100 PolarHBondContact O-CD2 2.73Å; G98-H100 PolarHBondContact O-CE1 3.44Å; G98-H100 PolarHBondContact O-NE2 2.77Å; H100-E102 VanDerWaalsContact C-N 3.3Å; H100-E102 PolarHBondContact O-N 2.94Å; H100-C103 HydrophobicContact CB-CB 4.26Å; H100-C103 PolarHBondContact O-N 3.1Å; H100-L104 WeakPolarHBondContact O-CB 3.5Å; H100-L104 PolarHBondContact O-N 3.14Å; H100-C136 PolarHBondContact N-SG 3.39Å; H100-C136 VanDerWaalsContact N-SG 3.45Å
101P97.8Very high98.1Very high36 Ų3634.3 Ų34.323%0.23419%0.194CC..Hα-helixtrans-65.1-29.3-17226.7-36.6000113.5G99 L104 L105 D135G99-P101 WeakPolarHBondContact O-CD 3.25Å; P101-L104 PolarHBondContact O-N 2.71Å; P101-L105 VanDerWaalsContact O-CB 3.3Å; P101-L105 WeakPolarHBondContact O-CB 3.18Å; P101-L105 VanDerWaalsContact O-CG 3.27Å; P101-L105 WeakPolarHBondContact O-CG 3.24Å; P101-L105 PolarHBondContact O-N 2.82Å; P101-D135 HydrophobicContact CB-CB 4.23Å; P101-D135 HydrophobicContact CG-CB 3.98Å
102E98.3Very high98.1Very high141 Ų14134.8 Ų34.866%0.65920%0.198SC*.Hα-helixtrans-67.9-47.5178.5-59.4-174.5163.600112L67 H100 L104 W106L67-E102 HydrophobicContact CD2-CB 4.35Å; H100-E102 VanDerWaalsContact C-N 3.3Å; H100-E102 PolarHBondContact O-N 2.94Å; E102-L104 VanDerWaalsContact C-N 3.31Å; E102-L104 PolarHBondContact O-N 3.38Å; E102-W106 WeakPolarHBondContact O-CB 3.5Å; E102-W106 PolarHBondContact O-N 3.22Å
103C98.3Very high98.1Very high1 Ų138.1 Ų38.11%0.00722%0.216CC..Hα-helixtrans-60.5-43.6172.6-740000111.1L67 A95 H100 W106 L107L67-C103 VanDerWaalsContact CA-SG 3.53Å; L67-C103 PolarHBondContact N-SG 2.89Å; A95-C103 HydrophobicContact CB-CB 4.05Å; H100-C103 HydrophobicContact CB-CB 4.26Å; H100-C103 PolarHBondContact O-N 3.1Å; C103-W106 PolarHBondContact O-N 3.33Å; C103-L107 WeakPolarHBondContact O-CB 3.37Å; C103-L107 WeakPolarHBondContact O-CD1 3.35Å; C103-L107 VanDerWaalsContact O-CG 3.25Å; C103-L107 WeakPolarHBondContact O-CG 3.49Å; C103-L107 PolarHBondContact O-N 3.21Å
104L98.3Very high98Very high0 Ų039.2 Ų39.20%022%0.221CC..Hα-helixtrans-62.1-50.3180-174.458.5000111.9T92 A95 A96 H100 P101 E102 W106 L107 L108 C136 L140T92-L104 HydrophobicContact CG2-CD1 4Å; T92-L104 WeakPolarHBondContact O-CD1 3.39Å; A95-L104 HydrophobicContact CB-CB 4.23Å; A95-L104 HydrophobicContact CB-CD1 4.49Å; A96-L104 HydrophobicContact CB-CD1 4.15Å; A96-L104 HydrophobicContact CB-CD2 4Å; H100-L104 WeakPolarHBondContact O-CB 3.5Å; H100-L104 PolarHBondContact O-N 3.14Å; P101-L104 PolarHBondContact O-N 2.71Å; E102-L104 VanDerWaalsContact C-N 3.31Å; E102-L104 PolarHBondContact O-N 3.38Å; L104-W106 PolarHBondContact O-N 3.29Å; L104-L107 PolarHBondContact O-N 3.45Å; L104-L108 HydrophobicContact CD1-CD1 4.48Å; L104-L108 HydrophobicContact CG-CD1 4.29Å; L104-L108 WeakPolarHBondContact O-CD1 3.33Å; L104-L108 WeakPolarHBondContact O-CG 3.28Å; L104-L108 PolarHBondContact O-N 3.43Å; L104-C136 HydrophobicContact CD2-CB 3.67Å; L104-L140 HydrophobicContact CD1-CD2 4.28Å; L104-L140 HydrophobicContact CD2-CD1 3.96Å; L104-L140 HydrophobicContact CD2-CD2 4.31Å; L104-L140 HydrophobicContact CD2-CG 3.86Å; L104-L140 HydrophobicContact CG-CD2 4.41Å; L104-L140 HydrophobicContact CG-CG 4.45Å
105L98.4Very high98Very high52 Ų5240.7 Ų40.727%0.27223%0.229SC..Hα-helixtrans-62-41.8176.9-76169.6000112.2P101 L108 Q109 A139 Q143P101-L105 VanDerWaalsContact O-CB 3.3Å; P101-L105 WeakPolarHBondContact O-CB 3.18Å; P101-L105 VanDerWaalsContact O-CG 3.27Å; P101-L105 WeakPolarHBondContact O-CG 3.24Å; P101-L105 PolarHBondContact O-N 2.82Å; L105-L108 PolarHBondContact O-N 3.01Å; L105-Q109 VanDerWaalsContact O-CG 3.29Å; L105-Q109 WeakPolarHBondContact O-CG 3.45Å; L105-Q109 PolarHBondContact O-N 3.06Å; L105-A139 HydrophobicContact CD1-CB 4.25Å; L105-A139 HydrophobicContact CD2-CB 3.87Å; L105-A139 HydrophobicContact CG-CB 3.92Å; L105-Q143 HydrophobicContact CD2-CG 3.8Å
106W98.6Very high98Very high63 Ų6345.5 Ų45.524%0.23925%0.248CC..Hα-helixtrans-66.4-43178.5-171.687.9000112.2L67 V70 M71 V74 E102 C103 L104 L108 Q109 A110L67-W106 HydrophobicContact CD1-CB 3.52Å; L67-W106 HydrophobicContact CD1-CD2 4.24Å; L67-W106 HydrophobicContact CD1-CG 3.7Å; V70-W106 HydrophobicContact CG1-CE3 4.02Å; V70-W106 HydrophobicContact CG1-CZ3 4.02Å; M71-W106 HydrophobicContact CB-CH2 4.47Å; M71-W106 HydrophobicContact CB-CZ2 4.3Å; M71-W106 HydrophobicContact CG-CD2 3.82Å; M71-W106 HydrophobicContact CG-CE3 4.23Å; M71-W106 HydrophobicContact CG-CG 4.36Å; M71-W106 HydrophobicContact CG-CH2 4.2Å; M71-W106 HydrophobicContact CG-CZ2 3.77Å; M71-W106 HydrophobicContact CG-CZ3 4.4Å; V74-W106 HydrophobicContact CB-CH2 3.87Å; V74-W106 HydrophobicContact CB-CZ3 4.16Å; V74-W106 HydrophobicContact CG1-CH2 3.95Å; V74-W106 HydrophobicContact CG1-CZ3 4.44Å; V74-W106 HydrophobicContact CG2-CH2 4.2Å; V74-W106 HydrophobicContact CG2-CZ3 3.96Å; E102-W106 WeakPolarHBondContact O-CB 3.5Å; E102-W106 PolarHBondContact O-N 3.22Å; C103-W106 PolarHBondContact O-N 3.33Å; L104-W106 PolarHBondContact O-N 3.29Å; W106-L108 VanDerWaalsContact C-N 3.31Å; W106-L108 PolarHBondContact O-N 3.4Å; W106-Q109 PolarHBondContact O-N 3.5Å; W106-A110 HydrophobicContact CE3-CB 4.24Å; W106-A110 HydrophobicContact CH2-CB 3.95Å; W106-A110 HydrophobicContact CZ2-CB 4.38Å; W106-A110 HydrophobicContact CZ3-CB 3.88Å; W106-A110 WeakPolarHBondContact O-CB 3.45Å; W106-A110 PolarHBondContact O-N 3.37Å
107L98.5Very high98Very high0 Ų049.1 Ų49.10%027%0.265CS..Hα-helixtrans-60.8-39.9175.2-76164.7000112.1V70 V80 P91 T92 A95 C103 L104 A110 G111 A112V70-L107 HydrophobicContact CG1-CD1 4.41Å; V70-L107 HydrophobicContact CG1-CD2 3.65Å; V70-L107 HydrophobicContact CG1-CG 3.98Å; V80-L107 HydrophobicContact CG1-CD2 4.1Å; V80-L107 WeakPolarHBondContact CG1-O 3.08Å; P91-L107 HydrophobicContact CB-CD1 3.69Å; P91-L107 HydrophobicContact CB-CD2 3.99Å; T92-L107 HydrophobicContact CG2-CB 3.56Å; T92-L107 HydrophobicContact CG2-CD1 4.12Å; T92-L107 HydrophobicContact CG2-CG 4.45Å; A95-L107 HydrophobicContact CB-CD1 4.28Å; C103-L107 WeakPolarHBondContact O-CB 3.37Å; C103-L107 WeakPolarHBondContact O-CD1 3.35Å; C103-L107 VanDerWaalsContact O-CG 3.25Å; C103-L107 WeakPolarHBondContact O-CG 3.49Å; C103-L107 PolarHBondContact O-N 3.21Å; L104-L107 PolarHBondContact O-N 3.45Å; L107-A110 CarbonylContact O-C 3.59Å; L107-A110 PolarHBondContact O-N 3.44Å; L107-G111 PolarHBondContact O-N 3.39Å; L107-A112 HydrophobicContact CB-CB 4.28Å; L107-A112 WeakPolarHBondContact O-CB 3.39Å; L107-A112 PolarHBondContact O-N 2.93Å
108L98.3Very high98Very high20 Ų2046.2 Ų46.211%0.10525%0.252CS..Hα-helixtrans-63.8-43.9174.7-68.3166.9000111.7T92 L104 L105 W106 A110 G111 A112 I114 L140 Q143T92-L108 HydrophobicContact CG2-CD2 4.31Å; T92-L108 HydrophobicContact CG2-CG 4.36Å; L104-L108 HydrophobicContact CD1-CD1 4.48Å; L104-L108 HydrophobicContact CG-CD1 4.29Å; L104-L108 WeakPolarHBondContact O-CD1 3.33Å; L104-L108 WeakPolarHBondContact O-CG 3.28Å; L104-L108 PolarHBondContact O-N 3.43Å; L105-L108 PolarHBondContact O-N 3.01Å; W106-L108 VanDerWaalsContact C-N 3.31Å; W106-L108 PolarHBondContact O-N 3.4Å; L108-A110 VanDerWaalsContact C-N 3.25Å; L108-A110 PolarHBondContact O-N 2.85Å; L108-G111 PolarHBondContact O-N 3.48Å; L108-A112 HydrophobicContact CD2-CB 4.36Å; L108-I114 HydrophobicContact CD1-CD1 4.18Å; L108-I114 HydrophobicContact CD1-CG1 4.42Å; L108-I114 HydrophobicContact CD2-CB 3.56Å; L108-I114 HydrophobicContact CD2-CD1 4.01Å; L108-I114 HydrophobicContact CD2-CG1 3.64Å; L108-L140 HydrophobicContact CD1-CD2 3.96Å; L108-Q143 HydrophobicContact CD1-CB 4.26Å; L108-Q143 HydrophobicContact CD1-CG 4.16Å
109Q98Very high98Very high139 Ų13952.5 Ų52.565%0.6527%0.269SS*.Hα-helixtrans-63.4-30.8173.4-69.7168.517.400112.7L105 W106 G111L105-Q109 VanDerWaalsContact O-CG 3.29Å; L105-Q109 WeakPolarHBondContact O-CG 3.45Å; L105-Q109 PolarHBondContact O-N 3.06Å; W106-Q109 PolarHBondContact O-N 3.5Å; Q109-G111 PolarHBondContact O-N 2.98Å
110A97.6Very high98Very high39 Ų3952.9 Ų52.932%0.32227%0.267SS..THydrogen-bonded Turntrans-78.86.4173.400000113.9V80 W106 L107 L108V80-A110 HydrophobicContact CG1-CB 4.21Å; V80-A110 HydrophobicContact CG2-CB 3.9Å; W106-A110 HydrophobicContact CE3-CB 4.24Å; W106-A110 HydrophobicContact CH2-CB 3.95Å; W106-A110 HydrophobicContact CZ2-CB 4.38Å; W106-A110 HydrophobicContact CZ3-CB 3.88Å; W106-A110 WeakPolarHBondContact O-CB 3.45Å; W106-A110 PolarHBondContact O-N 3.37Å; L107-A110 CarbonylContact O-C 3.59Å; L107-A110 PolarHBondContact O-N 3.44Å; L108-A110 VanDerWaalsContact C-N 3.25Å; L108-A110 PolarHBondContact O-N 2.85Å
111G97.3Very high97.9Very high48 Ų4850.6 Ų50.650%0.49526%0.259SS..THydrogen-bonded Turntrans90.824.6174.900000115.2N81 L107 L108 Q109N81-G111 PolarHBondContact ND2-O 3.12Å; L107-G111 PolarHBondContact O-N 3.39Å; L108-G111 PolarHBondContact O-N 3.48Å; Q109-G111 PolarHBondContact O-N 2.98Å
112A98.1Very high97.9Very high10 Ų1049 Ų498%0.08325%0.248CC..  trans-65.5138.8168.800000111.8V80 N81 T92 L107 L108 I114V80-A112 HydrophobicContact CG1-CB 3.69Å; N81-A112 WeakPolarHBondContact OD1-CA 3.41Å; T92-A112 HydrophobicContact CG2-CB 3.33Å; L107-A112 HydrophobicContact CB-CB 4.28Å; L107-A112 WeakPolarHBondContact O-CB 3.39Å; L107-A112 PolarHBondContact O-N 2.93Å; L108-A112 HydrophobicContact CD2-CB 4.36Å; A112-I114 PolarHBondContact O-N 2.99Å
113D98Very high98Very high70 Ų7042.3 Ų42.337%0.37422%0.217SC..  trans-72.7110.3172.21758.8000110.2N81 N115 R116N81-D113 PolarHBondContact OD1-N 3.46Å; D113-N115 VanDerWaalsContact C-N 3.28Å; D113-N115 PolarHBondContact O-N 3.24Å; D113-N115 PolarHBondContact OD1-N 2.95Å; D113-R116 HydrophobicContact CB-CB 3.92Å; D113-R116 VanDerWaalsContact CG-N 3.33Å; D113-R116 PolarHBondContact O-N 3.22Å; D113-R116 PolarHBondContact OD1-N 3.19Å; D113-R116 VanDerWaalsContact OD1-N 3.15Å; D113-R116 WeakPolarHBondContact OD2-CA 3.48Å; D113-R116 WeakPolarHBondContact OD2-CB 3.09Å; D113-R116 WeakPolarHBondContact OD2-CD 3.4Å; D113-R116 PolarHBondContact OD2-N 3.24Å
114I98.2Very high98Very high23 Ų2342.2 Ų42.212%0.11822%0.217CC..THydrogen-bonded Turntrans-67.5-24-178.4-163.1169.4000113.9L108 A112 L140 Q143 A145L108-I114 HydrophobicContact CD1-CD1 4.18Å; L108-I114 HydrophobicContact CD1-CG1 4.42Å; L108-I114 HydrophobicContact CD2-CB 3.56Å; L108-I114 HydrophobicContact CD2-CD1 4.01Å; L108-I114 HydrophobicContact CD2-CG1 3.64Å; A112-I114 PolarHBondContact O-N 2.99Å; I114-L140 HydrophobicContact CD1-CD2 4.05Å; I114-L140 HydrophobicContact CG1-CD2 3.64Å; I114-Q143 HydrophobicContact CD1-CB 3.48Å; I114-Q143 VanDerWaalsContact CD1-CB 3.48Å; I114-Q143 WeakPolarHBondContact CD1-O 3.4Å; I114-A145 HydrophobicContact CD1-CB 3.88Å; I114-A145 HydrophobicContact CG1-CB 3.91Å
115N98.1Very high98Very high34 Ų3442.2 Ų42.218%0.18222%0.217CC..THydrogen-bonded Turntrans-112.78.9-177.1-68.3-59.1000112.4D113 Q117 T123 K146D113-N115 VanDerWaalsContact C-N 3.28Å; D113-N115 PolarHBondContact O-N 3.24Å; D113-N115 PolarHBondContact OD1-N 2.95Å; N115-Q117 PolarHBondContact O-N 2.91Å; N115-T123 WeakPolarHBondContact O-CG2 3.43Å; N115-K146 WeakPolarHBondContact OD1-CB 3.32Å; N115-K146 PolarHBondContact OD1-N 3.45Å
116R98.1Very high98Very high102 Ų10239.8 Ų39.839%0.38520%0.204SC..  trans-54.5129.9175.8-167.863.6171.284.5-7109.6T90 H93 D113 T123T90-R116 HydrophobicContact CG2-CG 4.22Å; H93-R116 PolarHBondContact CE1-O 3.41Å; H93-R116 PolarHBondContact NE2-O 3.49Å; D113-R116 HydrophobicContact CB-CB 3.92Å; D113-R116 VanDerWaalsContact CG-N 3.33Å; D113-R116 PolarHBondContact O-N 3.22Å; D113-R116 PolarHBondContact OD1-N 3.19Å; D113-R116 VanDerWaalsContact OD1-N 3.15Å; D113-R116 WeakPolarHBondContact OD2-CA 3.48Å; D113-R116 WeakPolarHBondContact OD2-CB 3.09Å; D113-R116 WeakPolarHBondContact OD2-CD 3.4Å; D113-R116 PolarHBondContact OD2-N 3.24Å; R116-T123 WeakPolarHBondContact O-CA 3.14Å
117Q98.1Very high98Very high76 Ų7637.5 Ų37.536%0.35520%0.196SC..  trans-92.8140.2171.2-70.5-179.3-77.100110.8N115 G121 E122 T123 M149 R150N115-Q117 PolarHBondContact O-N 2.91Å; Q117-G121 WeakPolarHBondContact CG-O 3.46Å; Q117-G121 PolarHBondContact NE2-O 3.06Å; Q117-E122 CarbonylContact C-O 3.54Å; Q117-E122 WeakPolarHBondContact CA-O 3.26Å; Q117-T123 HydrophobicContact CG-CG2 3.58Å; Q117-M149 HydrophobicContact CG-CE 3.78Å; Q117-R150 PolarHBondContact NE2-O 3.15Å
118D97.8Very high98Very high9 Ų937.5 Ų37.55%0.04820%0.196CC..  trans-82.2-178.116886.2-9.1000111.3F87 Q89 V120 G121 E122 K127F87-D118 VanDerWaalsContact O-CB 3.31Å; F87-D118 WeakPolarHBondContact O-CB 3.34Å; Q89-D118 HydrophobicContact CG-CB 3.7Å; Q89-D118 WeakPolarHBondContact CG-OD2 3.36Å; Q89-D118 PolarHBondContact NE2-OD2 2.85Å; D118-V120 VanDerWaalsContact C-N 3.26Å; D118-V120 PolarHBondContact O-N 3.48Å; D118-V120 WeakPolarHBondContact OD1-CG2 3.36Å; D118-V120 PolarHBondContact OD1-N 3.44Å; D118-G121 WeakPolarHBondContact O-CA 3.48Å; D118-G121 PolarHBondContact O-N 3.35Å; D118-G121 PolarHBondContact OD1-N 2.89Å; D118-E122 PolarHBondContact N-O 3.4Å; D118-E122 PolarHBondContact OD1-N 3.5Å; D118-K127 WeakPolarHBondContact OD2-CE 3.25Å; D118-K127 IonicContact OD2-NZ 2.73Å; D118-K127 PolarHBondContact OD2-NZ 3.15Å
119Y97.3Very high98Very high158 Ų15836.6 Ų36.662%0.6219%0.191SC*.THydrogen-bonded Turntrans-65.4-21.3-177.5-72.1-25000114.6R86 F87 A88 G121R86-Y119 WeakPolarHBondContact O-CD2 3.43Å; F87-Y119 VanDerWaalsContact C-CD2 3.42Å; F87-Y119 VanDerWaalsContact CA-CD2 3.48Å; F87-Y119 PolarHBondContact O-N 3.38Å; A88-Y119 HydrophobicContact CB-CD1 3.51Å; A88-Y119 HydrophobicContact CB-CD2 4.23Å; A88-Y119 HydrophobicContact CB-CE1 3.4Å; A88-Y119 VanDerWaalsContact CB-CE1 3.4Å; A88-Y119 HydrophobicContact CB-CE2 4.11Å; A88-Y119 HydrophobicContact CB-CG 3.92Å; Y119-G121 VanDerWaalsContact C-N 3.28Å
120V95.8Very high97.9Very high30 Ų3032 Ų3218%0.18217%0.168CC..THydrogen-bonded Turntrans-91.99.6171.9-620000112D118 E122 N151 A152D118-V120 VanDerWaalsContact C-N 3.26Å; D118-V120 PolarHBondContact O-N 3.48Å; D118-V120 WeakPolarHBondContact OD1-CG2 3.36Å; D118-V120 PolarHBondContact OD1-N 3.44Å; V120-E122 HydrophobicContact CG2-CB 4.1Å; V120-E122 HydrophobicContact CG2-CG 3.95Å; V120-E122 PolarHBondContact O-N 3.46Å; V120-N151 WeakPolarHBondContact O-CB 3.5Å; V120-A152 VanDerWaalsContact O-CB 3.24Å; V120-A152 WeakPolarHBondContact O-CB 3.35Å; V120-A152 PolarHBondContact O-N 3.43Å
121G97.6Very high97.9Very high11 Ų1131.9 Ų31.911%0.11317%0.167CC..SBendtrans75.25-179.100000113.9Q117 D118 Y119 N151Q117-G121 WeakPolarHBondContact CG-O 3.46Å; Q117-G121 PolarHBondContact NE2-O 3.06Å; D118-G121 WeakPolarHBondContact O-CA 3.48Å; D118-G121 PolarHBondContact O-N 3.35Å; D118-G121 PolarHBondContact OD1-N 2.89Å; Y119-G121 VanDerWaalsContact C-N 3.28Å; G121-N151 WeakPolarHBondContact O-CA 3.29Å
122E98.3Very high97.9Very high2 Ų230.6 Ų30.61%0.00915%0.153CC..  trans-78.6145.1178.6-75.4-175.8-179.400110.1H93 Q117 D118 V120 H126 K127 R130 N151 L160H93-E122 PolarHBondContact NE2-O 3.45Å; Q117-E122 CarbonylContact C-O 3.54Å; Q117-E122 WeakPolarHBondContact CA-O 3.26Å; D118-E122 PolarHBondContact N-O 3.4Å; D118-E122 PolarHBondContact OD1-N 3.5Å; V120-E122 HydrophobicContact CG2-CB 4.1Å; V120-E122 HydrophobicContact CG2-CG 3.95Å; V120-E122 PolarHBondContact O-N 3.46Å; E122-H126 HydrophobicContact CB-CB 3.72Å; E122-H126 HydrophobicContact CG-CB 3.79Å; E122-K127 HydrophobicContact CB-CD 4.48Å; E122-K127 WeakPolarHBondContact OE2-CD 3.48Å; E122-K127 WeakPolarHBondContact OE2-CE 3.38Å; E122-K127 IonicContact OE2-NZ 2.71Å; E122-K127 PolarHBondContact OE2-NZ 3.21Å; E122-R130 VanDerWaalsContact CD-NE 3.35Å; E122-R130 IonicContact OE1-CZ 3.53Å; E122-R130 IonicContact OE1-NE 2.82Å; E122-R130 PolarHBondContact OE1-NE 3.27Å; E122-R130 IonicContact OE1-NH2 3.38Å; E122-R130 PolarHBondContact OE1-NH2 3.35Å; E122-R130 VanDerWaalsContact OE2-CD 3.28Å; E122-R130 WeakPolarHBondContact OE2-CD 3.39Å; E122-R130 IonicContact OE2-NE 3.14Å; E122-R130 PolarHBondContact OE2-NE 2.94Å; E122-R130 VanDerWaalsContact OE2-NE 3.14Å; E122-N151 HydrophobicContact CG-CB 3.58Å; E122-N151 PolarHBondContact OE1-ND2 3.27Å; E122-L160 HydrophobicContact CG-CD1 4.38Å; E122-L160 WeakPolarHBondContact OE1-CD1 3.41Å
123T98.6Very high97.9Very high1 Ų130.9 Ų30.91%0.00615%0.154CC..  trans-107.1173.6174.666.80000110.3H93 N115 R116 Q117 I125 H126 K127 M149H93-T123 WeakPolarHBondContact NE2-CA 3.32Å; N115-T123 WeakPolarHBondContact O-CG2 3.43Å; R116-T123 WeakPolarHBondContact O-CA 3.14Å; Q117-T123 HydrophobicContact CG-CG2 3.58Å; T123-I125 PolarHBondContact O-N 3.32Å; T123-H126 PolarHBondContact N-ND1 3.4Å; T123-H126 WeakPolarHBondContact O-CB 3.42Å; T123-H126 PolarHBondContact O-N 3.14Å; T123-H126 PolarHBondContact OG1-ND1 3.04Å; T123-K127 PolarHBondContact O-N 3.23Å; T123-M149 HydrophobicContact CG2-CE 3.64Å
124P98.6Very high97.9Very high0 Ų029.8 Ų29.80%015%0.149CC..Hα-helixtrans-52.6-32.7176.1-29.838000114.2A96 K127 A128 L140A96-P124 HydrophobicContact CB-CB 4.17Å; A96-P124 VanDerWaalsContact CB-O 3.24Å; A96-P124 WeakPolarHBondContact CB-O 3.45Å; P124-K127 PolarHBondContact O-N 3.34Å; P124-A128 PolarHBondContact O-N 2.98Å; P124-L140 HydrophobicContact CB-CD1 4.06Å; P124-L140 HydrophobicContact CB-CD2 4.09Å
125I98.6Very high97.9Very high0 Ų033.7 Ų33.70%017%0.17CC..Hα-helixtrans-72.9-28178.2-150.4178.8000113T123 A129 L140 L141 A145 A157 L173T123-I125 PolarHBondContact O-N 3.32Å; I125-A129 VanDerWaalsContact O-CB 3.3Å; I125-A129 WeakPolarHBondContact O-CB 3.44Å; I125-A129 PolarHBondContact O-N 2.89Å; I125-L140 HydrophobicContact CB-CD1 3.9Å; I125-L140 HydrophobicContact CD1-CB 4.35Å; I125-L140 HydrophobicContact CG1-CB 4.18Å; I125-L140 HydrophobicContact CG1-CD1 4.04Å; I125-L141 HydrophobicContact CD1-CD2 3.57Å; I125-L141 HydrophobicContact CD1-CG 3.91Å; I125-A145 HydrophobicContact CD1-CB 4.15Å; I125-A157 HydrophobicContact CG2-CB 3.91Å; I125-L173 HydrophobicContact CD1-CD2 3.49Å; I125-L173 VanDerWaalsContact CD1-CD2 3.49Å; I125-L173 HydrophobicContact CG1-CD2 3.83Å
126H98.7Very high97.9Very high1 Ų132.1 Ų32.11%0.00516%0.161CC..Hα-helixtrans-69.4-37.6170.4-65.877.8000110.8E122 T123 A129 R130 M149 L155 A157 L160E122-H126 HydrophobicContact CB-CB 3.72Å; E122-H126 HydrophobicContact CG-CB 3.79Å; T123-H126 PolarHBondContact N-ND1 3.4Å; T123-H126 WeakPolarHBondContact O-CB 3.42Å; T123-H126 PolarHBondContact O-N 3.14Å; T123-H126 PolarHBondContact OG1-ND1 3.04Å; H126-A129 PolarHBondContact O-N 3.21Å; H126-R130 WeakPolarHBondContact O-CB 3.28Å; H126-R130 WeakPolarHBondContact O-CG 3.39Å; H126-R130 PolarHBondContact O-N 3.1Å; H126-M149 PolarHBondContact CE1-O 2.84Å; H126-M149 PolarHBondContact NE2-O 3.28Å; H126-L155 PolarHBondContact NE2-O 2.98Å; H126-A157 PolarHBondContact CD2-N 3.42Å; H126-A157 PolarHBondContact NE2-N 3.28Å; H126-L160 HydrophobicContact CB-CD1 3.86Å
127K98.4Very high98Very high15 Ų1527.2 Ų27.27%0.06514%0.143CC..Hα-helixtrans-67.8-43.2175.2-56.7-53.8-178.5-169.30112.1H93 A96 F97 D118 E122 T123 P124 A129 R130 A131H93-K127 HydrophobicContact CB-CG 4.11Å; A96-K127 HydrophobicContact CB-CB 4.21Å; F97-K127 HydrophobicContact CB-CB 4.14Å; D118-K127 WeakPolarHBondContact OD2-CE 3.25Å; D118-K127 IonicContact OD2-NZ 2.73Å; D118-K127 PolarHBondContact OD2-NZ 3.15Å; E122-K127 HydrophobicContact CB-CD 4.48Å; E122-K127 WeakPolarHBondContact OE2-CD 3.48Å; E122-K127 WeakPolarHBondContact OE2-CE 3.38Å; E122-K127 IonicContact OE2-NZ 2.71Å; E122-K127 PolarHBondContact OE2-NZ 3.21Å; T123-K127 PolarHBondContact O-N 3.23Å; P124-K127 PolarHBondContact O-N 3.34Å; K127-A129 VanDerWaalsContact C-N 3.34Å; K127-A129 PolarHBondContact O-N 3.05Å; K127-R130 PolarHBondContact O-N 2.87Å; K127-A131 PolarHBondContact O-N 3.49Å
128A98.6Very high98Very high0 Ų026.3 Ų26.30%014%0.14CC..Hα-helixtrans-60.2-41.9173.200000112.4A96 P124 A131 G132 S133 C136 I137 L140A96-A128 HydrophobicContact CB-CB 4.17Å; A96-A128 WeakPolarHBondContact O-CA 3.36Å; P124-A128 PolarHBondContact O-N 2.98Å; A128-A131 PolarHBondContact O-N 3.07Å; A128-G132 PolarHBondContact O-N 3.23Å; A128-G132 VanDerWaalsContact O-N 3.14Å; A128-S133 PolarHBondContact O-N 2.9Å; A128-C136 HydrophobicContact CB-CB 3.67Å; A128-I137 HydrophobicContact CB-CG1 3.83Å; A128-L140 HydrophobicContact CB-CD1 4.18Å
129A98.3Very high98Very high0 Ų026.3 Ų26.30%014%0.141CC..Hα-helixtrans-62.7-38.917400000113.1I125 H126 K127 A131 G132 A157 A161 F166 L173I125-A129 VanDerWaalsContact O-CB 3.3Å; I125-A129 WeakPolarHBondContact O-CB 3.44Å; I125-A129 PolarHBondContact O-N 2.89Å; H126-A129 PolarHBondContact O-N 3.21Å; K127-A129 VanDerWaalsContact C-N 3.34Å; K127-A129 PolarHBondContact O-N 3.05Å; A129-A131 VanDerWaalsContact C-N 3.31Å; A129-G132 PolarHBondContact O-N 3.49Å; A129-A157 HydrophobicContact CB-CB 3.95Å; A129-A157 WeakPolarHBondContact CB-O 3.48Å; A129-A161 HydrophobicContact CB-CB 4.05Å; A129-F166 WeakPolarHBondContact O-CD2 3.27Å; A129-L173 HydrophobicContact CB-CD1 3.71Å
130R96.8Very high98Very high44 Ų4418.8 Ų18.817%0.16611%0.112CC..Hα-helixtrans-69.7-25.1174.3-79.2171.8155.1-92.121.1114.1F97 E122 H126 K127 L160 Q164 D322F97-R130 HydrophobicContact CE2-CB 4.41Å; E122-R130 VanDerWaalsContact CD-NE 3.35Å; E122-R130 IonicContact OE1-CZ 3.53Å; E122-R130 IonicContact OE1-NE 2.82Å; E122-R130 PolarHBondContact OE1-NE 3.27Å; E122-R130 IonicContact OE1-NH2 3.38Å; E122-R130 PolarHBondContact OE1-NH2 3.35Å; E122-R130 VanDerWaalsContact OE2-CD 3.28Å; E122-R130 WeakPolarHBondContact OE2-CD 3.39Å; E122-R130 IonicContact OE2-NE 3.14Å; E122-R130 PolarHBondContact OE2-NE 2.94Å; E122-R130 VanDerWaalsContact OE2-NE 3.14Å; H126-R130 WeakPolarHBondContact O-CB 3.28Å; H126-R130 WeakPolarHBondContact O-CG 3.39Å; H126-R130 PolarHBondContact O-N 3.1Å; K127-R130 PolarHBondContact O-N 2.87Å; R130-L160 HydrophobicContact CG-CB 4.26Å; R130-L160 HydrophobicContact CG-CD1 4.12Å; R130-Q164 VanDerWaalsContact CA-NE2 3.28Å; R130-Q164 PolarHBondContact O-NE2 3.03Å; R130-D322 IonicContact CZ-OD2 3.14Å; R130-D322 VanDerWaalsContact NH1-CG 3.31Å; R130-D322 IonicContact NH1-OD1 3.74Å; R130-D322 IonicContact NH1-OD2 2.71Å; R130-D322 PolarHBondContact NH1-OD2 3.03Å; R130-D322 IonicContact NH2-OD2 2.75Å; R130-D322 PolarHBondContact NH2-OD2 3.47Å
131A96.7Very high98.1Very high36 Ų3618.9 Ų18.930%0.29811%0.111SC..THydrogen-bonded Turntrans-87.4-7.9174.900000113.5F97 K127 A128 A129 S133F97-A131 WeakPolarHBondContact O-CB 3.34Å; K127-A131 PolarHBondContact O-N 3.49Å; A128-A131 PolarHBondContact O-N 3.07Å; A129-A131 VanDerWaalsContact C-N 3.31Å; A131-S133 PolarHBondContact O-N 3.28Å
132G97.4Very high98.1Very high20 Ų2024.6 Ų24.621%0.20614%0.138CC..THydrogen-bonded Turntrans65.216.7-170.600000113.9A128 A129 L134 C169A128-G132 PolarHBondContact O-N 3.23Å; A128-G132 VanDerWaalsContact O-N 3.14Å; A129-G132 PolarHBondContact O-N 3.49Å; G132-L134 PolarHBondContact O-N 2.88Å; G132-C169 VanDerWaalsContact C-SG 3.59Å; G132-C169 PolarHBondContact O-SG 2.88Å; G132-C169 VanDerWaalsContact O-SG 3.34Å
133S97.9Very high98Very high16 Ų1628.9 Ų28.911%0.11216%0.158CC..  trans-82.289.9-173.6-174.50000111.3G99 A128 A131 D135 C136 I137G99-S133 WeakPolarHBondContact CA-OG 3.45Å; A128-S133 PolarHBondContact O-N 2.9Å; A131-S133 PolarHBondContact O-N 3.28Å; S133-D135 PolarHBondContact O-N 2.63Å; S133-C136 PolarHBondContact O-N 3.26Å; S133-C136 WeakPolarHBondContact OG-CB 3.33Å; S133-C136 PolarHBondContact OG-N 2.88Å; S133-C136 PolarHBondContact OG-SG 3.08Å; S133-I137 WeakPolarHBondContact O-CG1 3.14Å; S133-I137 PolarHBondContact O-N 3.41Å
134L98.1Very high97.9Very high48 Ų4831 Ų3125%0.25118%0.179SC..Hα-helixtrans-54.8-37.9177.2-160.176.7000112.2G132 I137 N138 E168 M172G132-L134 PolarHBondContact O-N 2.88Å; L134-I137 PolarHBondContact O-N 3.11Å; L134-N138 WeakPolarHBondContact O-CB 3.42Å; L134-N138 PolarHBondContact O-N 2.9Å; L134-N138 PolarHBondContact O-ND2 3.32Å; L134-N138 VanDerWaalsContact O-ND2 3.13Å; L134-E168 HydrophobicContact CD1-CB 4.28Å; L134-M172 HydrophobicContact CD1-CB 4.47Å; L134-M172 HydrophobicContact CD1-CE 3.6Å; L134-M172 HydrophobicContact CD1-SD 3.67Å; L134-M172 HydrophobicContact CD2-CE 4.15Å; L134-M172 HydrophobicContact CG-CE 3.78Å; L134-M172 HydrophobicContact CG-SD 4.06Å
135D98.3Very high97.8Very high105 Ų10531 Ų3156%0.56118%0.18SC*.Hα-helixtrans-70.2-39.1179-61.7-51.6000112.8P101 S133 N138 A139P101-D135 HydrophobicContact CB-CB 4.23Å; P101-D135 HydrophobicContact CG-CB 3.98Å; S133-D135 PolarHBondContact O-N 2.63Å; D135-N138 PolarHBondContact O-N 3.28Å; D135-A139 VanDerWaalsContact O-CB 3.26Å; D135-A139 WeakPolarHBondContact O-CB 3.22Å; D135-A139 PolarHBondContact O-N 2.94Å
136C98.5Very high97.8Very high0 Ų035.9 Ų35.90%020%0.201CC..Hα-helixtrans-67.8-37173.4-69.70000111.7H100 L104 A128 S133 L140H100-C136 PolarHBondContact N-SG 3.39Å; H100-C136 VanDerWaalsContact N-SG 3.45Å; L104-C136 HydrophobicContact CD2-CB 3.67Å; A128-C136 HydrophobicContact CB-CB 3.67Å; S133-C136 PolarHBondContact O-N 3.26Å; S133-C136 WeakPolarHBondContact OG-CB 3.33Å; S133-C136 PolarHBondContact OG-N 2.88Å; S133-C136 PolarHBondContact OG-SG 3.08Å; C136-L140 WeakPolarHBondContact O-CB 3.33Å; C136-L140 WeakPolarHBondContact O-CD1 3.48Å; C136-L140 VanDerWaalsContact O-CG 3.24Å; C136-L140 WeakPolarHBondContact O-CG 3.4Å; C136-L140 PolarHBondContact O-N 3.49Å
137I98.6Very high97.6Very high0 Ų036 Ų360%020%0.202CC..Hα-helixtrans-61.6-52.1172.8-68.8163000110.2A128 S133 L134 A139 L140 L141 C169 M172 L173A128-I137 HydrophobicContact CB-CG1 3.83Å; S133-I137 WeakPolarHBondContact O-CG1 3.14Å; S133-I137 PolarHBondContact O-N 3.41Å; L134-I137 PolarHBondContact O-N 3.11Å; I137-A139 PolarHBondContact O-N 2.72Å; I137-L140 PolarHBondContact O-N 3.23Å; I137-L141 HydrophobicContact CG2-CD1 3.71Å; I137-L141 HydrophobicContact CG2-CG 4.25Å; I137-L141 WeakPolarHBondContact O-CB 3.29Å; I137-L141 VanDerWaalsContact O-CG 3.28Å; I137-L141 WeakPolarHBondContact O-CG 3.4Å; I137-L141 PolarHBondContact O-N 2.86Å; I137-C169 HydrophobicContact CD1-CB 3.54Å; I137-C169 VanDerWaalsContact CD1-SG 3.57Å; I137-M172 HydrophobicContact CB-SD 4.36Å; I137-M172 HydrophobicContact CG2-CG 4.07Å; I137-M172 HydrophobicContact CG2-SD 3.68Å; I137-L173 HydrophobicContact CD1-CD1 3.92Å; I137-L173 HydrophobicContact CD1-CG 4.33Å; I137-L173 HydrophobicContact CG1-CD1 4.4Å; I137-L173 HydrophobicContact CG1-CD2 4.44Å; I137-L173 HydrophobicContact CG2-CD2 3.62Å; I137-L173 HydrophobicContact CG2-CG 3.91Å
138N98.1Very high97.5Very high57 Ų5738.7 Ų38.731%0.30522%0.217SC..Hα-helixtrans-55.6-49.7176.7-83.9-49.2000111.6L134 D135 L140 L141 I142 M172L134-N138 WeakPolarHBondContact O-CB 3.42Å; L134-N138 PolarHBondContact O-N 2.9Å; L134-N138 PolarHBondContact O-ND2 3.32Å; L134-N138 VanDerWaalsContact O-ND2 3.13Å; D135-N138 PolarHBondContact O-N 3.28Å; N138-L140 PolarHBondContact O-N 3.37Å; N138-L141 PolarHBondContact O-N 3.22Å; N138-I142 WeakPolarHBondContact O-CB 3.43Å; N138-I142 WeakPolarHBondContact O-CD1 3.24Å; N138-I142 VanDerWaalsContact O-CG1 3.22Å; N138-I142 WeakPolarHBondContact O-CG1 3.43Å; N138-I142 PolarHBondContact O-N 2.71Å; N138-M172 WeakPolarHBondContact OD1-CE 3.46Å; N138-M172 PolarHBondContact OD1-SD 2.76Å; N138-M172 VanDerWaalsContact OD1-SD 3.38Å
139A98.1Very high97.4Very high8 Ų840.3 Ų40.37%0.06623%0.225CC..Hα-helixtrans-56.2-47.6178.300000112L105 D135 I137 I142 Q143L105-A139 HydrophobicContact CD1-CB 4.25Å; L105-A139 HydrophobicContact CD2-CB 3.87Å; L105-A139 HydrophobicContact CG-CB 3.92Å; D135-A139 VanDerWaalsContact O-CB 3.26Å; D135-A139 WeakPolarHBondContact O-CB 3.22Å; D135-A139 PolarHBondContact O-N 2.94Å; I137-A139 PolarHBondContact O-N 2.72Å; A139-I142 PolarHBondContact O-N 2.83Å; A139-Q143 VanDerWaalsContact O-CG 3.3Å; A139-Q143 WeakPolarHBondContact O-CG 3.36Å; A139-Q143 PolarHBondContact O-N 2.95Å
140L98.4Very high97.4Very high0 Ų046.7 Ų46.70%025%0.249CC..Hα-helixtrans-65.2-45178.9-75.7166.9000112.3A96 L104 L108 I114 P124 I125 A128 C136 I137 N138 I142 Q143 G144 A145A96-L140 HydrophobicContact CB-CD1 4.49Å; L104-L140 HydrophobicContact CD1-CD2 4.28Å; L104-L140 HydrophobicContact CD2-CD1 3.96Å; L104-L140 HydrophobicContact CD2-CD2 4.31Å; L104-L140 HydrophobicContact CD2-CG 3.86Å; L104-L140 HydrophobicContact CG-CD2 4.41Å; L104-L140 HydrophobicContact CG-CG 4.45Å; L108-L140 HydrophobicContact CD1-CD2 3.96Å; I114-L140 HydrophobicContact CD1-CD2 4.05Å; I114-L140 HydrophobicContact CG1-CD2 3.64Å; P124-L140 HydrophobicContact CB-CD1 4.06Å; P124-L140 HydrophobicContact CB-CD2 4.09Å; I125-L140 HydrophobicContact CB-CD1 3.9Å; I125-L140 HydrophobicContact CD1-CB 4.35Å; I125-L140 HydrophobicContact CG1-CB 4.18Å; I125-L140 HydrophobicContact CG1-CD1 4.04Å; A128-L140 HydrophobicContact CB-CD1 4.18Å; C136-L140 WeakPolarHBondContact O-CB 3.33Å; C136-L140 WeakPolarHBondContact O-CD1 3.48Å; C136-L140 VanDerWaalsContact O-CG 3.24Å; C136-L140 WeakPolarHBondContact O-CG 3.4Å; C136-L140 PolarHBondContact O-N 3.49Å; I137-L140 PolarHBondContact O-N 3.23Å; N138-L140 PolarHBondContact O-N 3.37Å; L140-I142 PolarHBondContact O-N 2.96Å; L140-Q143 CarbonylContact O-C 3.57Å; L140-Q143 PolarHBondContact O-N 2.86Å; L140-G144 PolarHBondContact O-N 3.17Å; L140-A145 HydrophobicContact CB-CB 3.77Å; L140-A145 HydrophobicContact CD2-CB 4.46Å; L140-A145 WeakPolarHBondContact O-CB 3.3Å; L140-A145 PolarHBondContact O-N 2.88Å
141L97.9Very high97.4Very high33 Ų3345 Ų4517%0.17324%0.244CC..Hα-helixtrans-62.5-41.4178.1-69.7175.4000112I125 I137 N138 Q143 G144 A147 M172 A176I125-L141 HydrophobicContact CD1-CD2 3.57Å; I125-L141 HydrophobicContact CD1-CG 3.91Å; I137-L141 HydrophobicContact CG2-CD1 3.71Å; I137-L141 HydrophobicContact CG2-CG 4.25Å; I137-L141 WeakPolarHBondContact O-CB 3.29Å; I137-L141 VanDerWaalsContact O-CG 3.28Å; I137-L141 WeakPolarHBondContact O-CG 3.4Å; I137-L141 PolarHBondContact O-N 2.86Å; N138-L141 PolarHBondContact O-N 3.22Å; L141-Q143 VanDerWaalsContact C-N 3.32Å; L141-Q143 PolarHBondContact O-N 2.75Å; L141-G144 PolarHBondContact O-N 3.4Å; L141-G144 VanDerWaalsContact O-N 3.12Å; L141-A147 HydrophobicContact CD2-CB 4.04Å; L141-M172 HydrophobicContact CD1-CG 4.2Å; L141-A176 HydrophobicContact CD1-CB 3.66Å; L141-A176 HydrophobicContact CD2-CB 3.68Å; L141-A176 HydrophobicContact CG-CB 4.3Å
142I96.8Very high97.4Very high131 Ų13146.5 Ų46.567%0.67226%0.256SS*.Hα-helixtrans-65-36.3176.3-69.6165.6000111.3N138 A139 L140 G144N138-I142 WeakPolarHBondContact O-CB 3.43Å; N138-I142 WeakPolarHBondContact O-CD1 3.24Å; N138-I142 VanDerWaalsContact O-CG1 3.22Å; N138-I142 WeakPolarHBondContact O-CG1 3.43Å; N138-I142 PolarHBondContact O-N 2.71Å; A139-I142 PolarHBondContact O-N 2.83Å; L140-I142 PolarHBondContact O-N 2.96Å; I142-G144 PolarHBondContact O-N 3.34Å
143Q97.3Very high97.4Very high91 Ų9148.4 Ų48.443%0.42526%0.261SS..THydrogen-bonded Turntrans-81.26.5174.7-62.9-58.7-46.400113.8L105 L108 I114 A139 L140 L141L105-Q143 HydrophobicContact CD2-CG 3.8Å; L108-Q143 HydrophobicContact CD1-CB 4.26Å; L108-Q143 HydrophobicContact CD1-CG 4.16Å; I114-Q143 HydrophobicContact CD1-CB 3.48Å; I114-Q143 VanDerWaalsContact CD1-CB 3.48Å; I114-Q143 WeakPolarHBondContact CD1-O 3.4Å; A139-Q143 VanDerWaalsContact O-CG 3.3Å; A139-Q143 WeakPolarHBondContact O-CG 3.36Å; A139-Q143 PolarHBondContact O-N 2.95Å; L140-Q143 CarbonylContact O-C 3.57Å; L140-Q143 PolarHBondContact O-N 2.86Å; L141-Q143 VanDerWaalsContact C-N 3.32Å; L141-Q143 PolarHBondContact O-N 2.75Å
144G95.4Very high97.3Very high45 Ų4549.2 Ų49.246%0.46427%0.272SS..THydrogen-bonded Turntrans8624.9173.600000115.6L140 L141 I142L140-G144 PolarHBondContact O-N 3.17Å; L141-G144 PolarHBondContact O-N 3.4Å; L141-G144 VanDerWaalsContact O-N 3.12Å; I142-G144 PolarHBondContact O-N 3.34Å
145A97.4Very high97.3Very high1 Ų150.1 Ų50.11%0.00828%0.277CS..  trans-61.2139.6169.600000111.2I114 I125 L140 A147 Q180I114-A145 HydrophobicContact CD1-CB 3.88Å; I114-A145 HydrophobicContact CG1-CB 3.91Å; I125-A145 HydrophobicContact CD1-CB 4.15Å; L140-A145 HydrophobicContact CB-CB 3.77Å; L140-A145 HydrophobicContact CD2-CB 4.46Å; L140-A145 WeakPolarHBondContact O-CB 3.3Å; L140-A145 PolarHBondContact O-N 2.88Å; A145-A147 PolarHBondContact O-N 3.45Å; A145-Q180 PolarHBondContact O-NE2 2.84Å
146K97.1Very high97.3Very high103 Ų10345.2 Ų45.245%0.44825%0.25SS..  trans-80115.3177.3-67.4177.1-177.7179.80110.4N115 D148 M149N115-K146 WeakPolarHBondContact OD1-CB 3.32Å; N115-K146 PolarHBondContact OD1-N 3.45Å; K146-D148 VanDerWaalsContact C-N 3.32Å; K146-M149 HydrophobicContact CB-CG 3.45Å; K146-M149 VanDerWaalsContact CB-CG 3.45Å; K146-M149 HydrophobicContact CB-SD 4.41Å; K146-M149 HydrophobicContact CD-CG 4.04Å; K146-M149 HydrophobicContact CD-SD 3.9Å; K146-M149 HydrophobicContact CG-CG 4.41Å
147A95.9Very high97.3Very high2 Ų245.2 Ų45.22%0.01725%0.251CS..THydrogen-bonded Turntrans-80-15.2179.200000113L141 A145 A176 Q177L141-A147 HydrophobicContact CD2-CB 4.04Å; A145-A147 PolarHBondContact O-N 3.45Å; A147-A176 HydrophobicContact CB-CB 4.17Å; A147-Q177 HydrophobicContact CB-CB 4.18Å
148D95.8Very high97.3Very high72 Ų7245.8 Ų45.839%0.38526%0.255SS..THydrogen-bonded Turntrans-92.3-7.6-177.970.1-31.3000114.7K146 Q177K146-D148 VanDerWaalsContact C-N 3.32Å; D148-Q177 HydrophobicContact CB-CG 4.01Å
149M97.3Very high97.2Very high35 Ų3546.3 Ų46.317%0.17226%0.258CS..  trans-54.4142.3172.2-67.8-82.7-76.200110.4Q117 T123 H126 K146Q117-M149 HydrophobicContact CG-CE 3.78Å; T123-M149 HydrophobicContact CG2-CE 3.64Å; H126-M149 PolarHBondContact CE1-O 2.84Å; H126-M149 PolarHBondContact NE2-O 3.28Å; K146-M149 HydrophobicContact CB-CG 3.45Å; K146-M149 VanDerWaalsContact CB-CG 3.45Å; K146-M149 HydrophobicContact CB-SD 4.41Å; K146-M149 HydrophobicContact CD-CG 4.04Å; K146-M149 HydrophobicContact CD-SD 3.9Å; K146-M149 HydrophobicContact CG-CG 4.41Å
150R97.4Very high97.2Very high134 Ų13446.5 Ų46.551%0.50626%0.258SS..BIsolated β-bridgetrans-118.2141.4176.3-68.9176.5-177.4-79.4-5.7110.5Q117 G154 L155 T156 D159Q117-R150 PolarHBondContact NE2-O 3.15Å; R150-G154 VanDerWaalsContact CD-O 3.28Å; R150-G154 WeakPolarHBondContact CD-O 3.33Å; R150-G154 PolarHBondContact NH1-O 2.95Å; R150-L155 CarbonylContact C-O 3.59Å; R150-L155 VanDerWaalsContact CA-O 3.3Å; R150-L155 WeakPolarHBondContact CA-O 3.29Å; R150-T156 HydrophobicContact CG-CG2 3.82Å; R150-D159 IonicContact NH1-OD2 3.97Å
151N97.4Very high97.2Very high9 Ų946.5 Ų46.55%0.04826%0.258CS..  trans-76.3179.9171.975.64.3000112V120 G121 E122 N153 G154 L155V120-N151 WeakPolarHBondContact O-CB 3.5Å; G121-N151 WeakPolarHBondContact O-CA 3.29Å; E122-N151 HydrophobicContact CG-CB 3.58Å; E122-N151 PolarHBondContact OE1-ND2 3.27Å; N151-N153 PolarHBondContact O-N 3.22Å; N151-N153 VanDerWaalsContact O-N 3.17Å; N151-N153 WeakPolarHBondContact OD1-CB 3.49Å; N151-N153 PolarHBondContact OD1-N 3.24Å; N151-N153 VanDerWaalsContact OD1-N 3.1Å; N151-G154 WeakPolarHBondContact O-CA 3.43Å; N151-G154 PolarHBondContact O-N 3.09Å; N151-G154 PolarHBondContact OD1-N 3.44Å; N151-L155 PolarHBondContact N-O 3Å; N151-L155 PolarHBondContact OD1-N 3.21Å; N151-L155 PolarHBondContact OD1-O 2.88Å
152A96.9Very high97.2Very high67 Ų6751.4 Ų51.455%0.55428%0.28SS*.THydrogen-bonded Turntrans-59.9-27-178.100000113.4V120 G154V120-A152 VanDerWaalsContact O-CB 3.24Å; V120-A152 WeakPolarHBondContact O-CB 3.35Å; V120-A152 PolarHBondContact O-N 3.43Å; A152-G154 PolarHBondContact O-N 3.46Å
153N95.9Very high97.1Very high60 Ų6049 Ų4932%0.32128%0.28SS..THydrogen-bonded Turntrans-82.14.5175.7-61.3-33.2000112.9N151 L155 H311 V315N151-N153 PolarHBondContact O-N 3.22Å; N151-N153 VanDerWaalsContact O-N 3.17Å; N151-N153 WeakPolarHBondContact OD1-CB 3.49Å; N151-N153 PolarHBondContact OD1-N 3.24Å; N151-N153 VanDerWaalsContact OD1-N 3.1Å; N153-L155 HydrophobicContact CB-CD1 4.39Å; N153-L155 HydrophobicContact CB-CG 4.22Å; N153-L155 PolarHBondContact O-N 3.24Å; N153-H311 PolarHBondContact OD1-CE1 2.85Å; N153-V315 VanDerWaalsContact OD1-CG2 3.3Å; N153-V315 WeakPolarHBondContact OD1-CG2 3.32Å
154G97.3Very high97Very high33 Ų3348.9 Ų48.934%0.3428%0.279SS..SBendtrans75.16.7-176.800000114.5R150 N151 A152R150-G154 VanDerWaalsContact CD-O 3.28Å; R150-G154 WeakPolarHBondContact CD-O 3.33Å; R150-G154 PolarHBondContact NH1-O 2.95Å; N151-G154 WeakPolarHBondContact O-CA 3.43Å; N151-G154 PolarHBondContact O-N 3.09Å; N151-G154 PolarHBondContact OD1-N 3.44Å; A152-G154 PolarHBondContact O-N 3.46Å
155L97.8Very high97Very high67 Ų6749.1 Ų49.135%0.35128%0.281SS..  trans-87.8140.6-177.7-57.4179.2000111H126 R150 N151 N153 D159 L160H126-L155 PolarHBondContact NE2-O 2.98Å; R150-L155 CarbonylContact C-O 3.59Å; R150-L155 VanDerWaalsContact CA-O 3.3Å; R150-L155 WeakPolarHBondContact CA-O 3.29Å; N151-L155 PolarHBondContact N-O 3Å; N151-L155 PolarHBondContact OD1-N 3.21Å; N151-L155 PolarHBondContact OD1-O 2.88Å; N153-L155 HydrophobicContact CB-CD1 4.39Å; N153-L155 HydrophobicContact CB-CG 4.22Å; N153-L155 PolarHBondContact O-N 3.24Å; L155-D159 HydrophobicContact CB-CB 4.15Å; L155-D159 HydrophobicContact CD2-CB 4.19Å; L155-L160 HydrophobicContact CB-CD2 4.34Å; L155-L160 HydrophobicContact CB-CG 4.48Å; L155-L160 HydrophobicContact CD1-CD2 3.88Å
156T98.1Very high97Very high1 Ų152.3 Ų52.31%0.00630%0.295CS..BIsolated β-bridgetrans-84.1168.4168.567.40000111R150 A158 D159 L160R150-T156 HydrophobicContact CG-CG2 3.82Å; T156-A158 PolarHBondContact O-N 3.27Å; T156-A158 PolarHBondContact OG1-N 3.5Å; T156-D159 WeakPolarHBondContact CB-OD2 3.4Å; T156-D159 PolarHBondContact N-OD2 3.46Å; T156-D159 PolarHBondContact O-N 3.31Å; T156-D159 VanDerWaalsContact OG1-CG 3.25Å; T156-D159 PolarHBondContact OG1-N 2.9Å; T156-D159 PolarHBondContact OG1-OD2 3.27Å; T156-L160 PolarHBondContact O-N 3.21Å; T156-L160 VanDerWaalsContact O-N 3.14Å
157A97.9Very high97Very high1 Ų154.5 Ų54.51%0.00831%0.307CS..Hα-helixtrans-57.7-34.1170.100000112.9I125 H126 A129 L160 A161 L173I125-A157 HydrophobicContact CG2-CB 3.91Å; H126-A157 PolarHBondContact CD2-N 3.42Å; H126-A157 PolarHBondContact NE2-N 3.28Å; A129-A157 HydrophobicContact CB-CB 3.95Å; A129-A157 WeakPolarHBondContact CB-O 3.48Å; A157-L160 PolarHBondContact O-N 3.38Å; A157-A161 PolarHBondContact O-N 3.45Å; A157-L173 HydrophobicContact CB-CD1 3.95Å; A157-L173 HydrophobicContact CB-CD2 4.21Å
158A98.1Very high97.1Very high11 Ų1161.4 Ų61.49%0.09134%0.339CS..Hα-helixtrans-64.8-41.9176.600000111.8T156 L160 A161 H162 L173 A174T156-A158 PolarHBondContact O-N 3.27Å; T156-A158 PolarHBondContact OG1-N 3.5Å; A158-L160 VanDerWaalsContact C-N 3.35Å; A158-L160 PolarHBondContact O-N 3.04Å; A158-A161 PolarHBondContact O-N 2.92Å; A158-H162 WeakPolarHBondContact O-CB 3.35Å; A158-H162 PolarHBondContact O-N 3.1Å; A158-L173 HydrophobicContact CB-CB 3.7Å; A158-A174 HydrophobicContact CB-CB 4.44Å
159D97.8Very high97.2Very high68 Ų6858.2 Ų58.236%0.36432%0.322SS..Hα-helixtrans-63-40.8177.1-56.8-56.1000111.2R150 L155 T156 H162 A163R150-D159 IonicContact NH1-OD2 3.97Å; L155-D159 HydrophobicContact CB-CB 4.15Å; L155-D159 HydrophobicContact CD2-CB 4.19Å; T156-D159 WeakPolarHBondContact CB-OD2 3.4Å; T156-D159 PolarHBondContact N-OD2 3.46Å; T156-D159 PolarHBondContact O-N 3.31Å; T156-D159 VanDerWaalsContact OG1-CG 3.25Å; T156-D159 PolarHBondContact OG1-N 2.9Å; T156-D159 PolarHBondContact OG1-OD2 3.27Å; D159-H162 PolarHBondContact O-N 2.87Å; D159-A163 WeakPolarHBondContact O-CB 3.46Å; D159-A163 PolarHBondContact O-N 3.39Å
160L97.4Very high97.2Very high12 Ų1257 Ų576%0.06332%0.318CS..Hα-helixtrans-66.7-43.2177.2-66.3177.5000112.9E122 H126 R130 L155 T156 A157 A158 H162 A163 Q164E122-L160 HydrophobicContact CG-CD1 4.38Å; E122-L160 WeakPolarHBondContact OE1-CD1 3.41Å; H126-L160 HydrophobicContact CB-CD1 3.86Å; R130-L160 HydrophobicContact CG-CB 4.26Å; R130-L160 HydrophobicContact CG-CD1 4.12Å; L155-L160 HydrophobicContact CB-CD2 4.34Å; L155-L160 HydrophobicContact CB-CG 4.48Å; L155-L160 HydrophobicContact CD1-CD2 3.88Å; T156-L160 PolarHBondContact O-N 3.21Å; T156-L160 VanDerWaalsContact O-N 3.14Å; A157-L160 PolarHBondContact O-N 3.38Å; A158-L160 VanDerWaalsContact C-N 3.35Å; A158-L160 PolarHBondContact O-N 3.04Å; L160-H162 VanDerWaalsContact C-N 3.32Å; L160-A163 PolarHBondContact O-N 3Å; L160-Q164 PolarHBondContact O-N 3.13Å
161A97.9Very high97.2Very high0 Ų056.1 Ų56.10%032%0.319CS..Hα-helixtrans-62.7-40.5174.600000111.3A129 A157 A158 Q164 G165 F166 C169 A170 L173A129-A161 HydrophobicContact CB-CB 4.05Å; A157-A161 PolarHBondContact O-N 3.45Å; A158-A161 PolarHBondContact O-N 2.92Å; A161-Q164 PolarHBondContact O-N 3.07Å; A161-G165 PolarHBondContact O-N 3.12Å; A161-F166 HydrophobicContact CB-CB 4.3Å; A161-F166 PolarHBondContact O-N 3.15Å; A161-C169 HydrophobicContact CB-CB 3.86Å; A161-A170 HydrophobicContact CB-CB 3.97Å; A161-L173 HydrophobicContact CB-CD1 4.27Å
162H97.4Very high97.2Very high136 Ų13658 Ų5863%0.6333%0.328SS*.Hα-helixtrans-65.3-43.8176.9-169.984000111.9A158 D159 L160 Q164 G165 A170A158-H162 WeakPolarHBondContact O-CB 3.35Å; A158-H162 PolarHBondContact O-N 3.1Å; D159-H162 PolarHBondContact O-N 2.87Å; L160-H162 VanDerWaalsContact C-N 3.32Å; H162-Q164 PolarHBondContact O-N 3.35Å; H162-G165 PolarHBondContact O-N 3.35Å; H162-A170 HydrophobicContact CB-CB 3.95Å
163A95.9Very high97.3Very high82 Ų8254.8 Ų54.868%0.67830%0.302SS*.Hα-helixtrans-62.5-27.3178.800000113.8D159 L160D159-A163 WeakPolarHBondContact O-CB 3.46Å; D159-A163 PolarHBondContact O-N 3.39Å; L160-A163 PolarHBondContact O-N 3Å
164Q93.9Very high97.3Very high88 Ų8853.3 Ų53.341%0.41130%0.298SS..THydrogen-bonded Turntrans-94.84172.8-68.6-157.878.800114.3R130 L160 A161 H162 F166R130-Q164 VanDerWaalsContact CA-NE2 3.28Å; R130-Q164 PolarHBondContact O-NE2 3.03Å; L160-Q164 PolarHBondContact O-N 3.13Å; A161-Q164 PolarHBondContact O-N 3.07Å; H162-Q164 PolarHBondContact O-N 3.35Å; Q164-F166 HydrophobicContact CB-CD2 3.7Å; Q164-F166 HydrophobicContact CB-CE2 3.63Å; Q164-F166 PolarHBondContact O-N 2.83Å
165G96.2Very high97.2Very high49 Ų4955.6 Ų55.651%0.50530%0.302SS..THydrogen-bonded Turntrans80.76.6176.900000115.5A161 H162 Q167A161-G165 PolarHBondContact O-N 3.12Å; H162-G165 PolarHBondContact O-N 3.35Å; G165-Q167 PolarHBondContact O-N 3.32Å
166F97.8Very high97.1Very high68 Ų6853 Ų5330%0.29829%0.291SS..  trans-76.670.2176.4-58-56.9000111.3A129 A161 Q164 E168 C169 A170A129-F166 WeakPolarHBondContact O-CD2 3.27Å; A161-F166 HydrophobicContact CB-CB 4.3Å; A161-F166 PolarHBondContact O-N 3.15Å; Q164-F166 HydrophobicContact CB-CD2 3.7Å; Q164-F166 HydrophobicContact CB-CE2 3.63Å; Q164-F166 PolarHBondContact O-N 2.83Å; F166-E168 PolarHBondContact O-N 2.76Å; F166-C169 HydrophobicContact CB-CB 3.96Å; F166-C169 WeakPolarHBondContact O-CB 3.29Å; F166-C169 PolarHBondContact O-N 3.04Å; F166-C169 VanDerWaalsContact O-N 3.14Å; F166-A170 PolarHBondContact O-N 3.25Å
167Q97.1Very high96.9Very high150 Ų15054.4 Ų54.470%0.70130%0.297SS*.Hα-helixtrans-55.7-43.3-170.8-66.5-177-3.500113.8G165 A170 Q171G165-Q167 PolarHBondContact O-N 3.32Å; Q167-A170 PolarHBondContact O-N 2.94Å; Q167-Q171 WeakPolarHBondContact O-CB 3.47Å; Q167-Q171 PolarHBondContact O-N 3.3Å
168E97.7Very high96.6Very high147 Ų14758.4 Ų58.469%0.68732%0.318SS*.Hα-helixtrans-64.9-42.1178.8-62.8-173.9-178.900112.1L134 F166 Q171 M172L134-E168 HydrophobicContact CD1-CB 4.28Å; F166-E168 PolarHBondContact O-N 2.76Å; E168-Q171 PolarHBondContact O-N 3.02Å; E168-M172 VanDerWaalsContact O-CB 3.29Å; E168-M172 WeakPolarHBondContact O-CB 3.27Å; E168-M172 PolarHBondContact O-N 3.27Å
169C97.9Very high96.2Very high5 Ų563.2 Ų63.23%0.03434%0.342CS..Hα-helixtrans-63-45.3175-68.30000111.3G132 I137 A161 F166 M172 L173G132-C169 VanDerWaalsContact C-SG 3.59Å; G132-C169 PolarHBondContact O-SG 2.88Å; G132-C169 VanDerWaalsContact O-SG 3.34Å; I137-C169 HydrophobicContact CD1-CB 3.54Å; I137-C169 VanDerWaalsContact CD1-SG 3.57Å; A161-C169 HydrophobicContact CB-CB 3.86Å; F166-C169 HydrophobicContact CB-CB 3.96Å; F166-C169 WeakPolarHBondContact O-CB 3.29Å; F166-C169 PolarHBondContact O-N 3.04Å; F166-C169 VanDerWaalsContact O-N 3.14Å; C169-M172 PolarHBondContact O-N 2.98Å; C169-L173 WeakPolarHBondContact O-CB 3.2Å; C169-L173 WeakPolarHBondContact O-CD1 3.4Å; C169-L173 VanDerWaalsContact O-CG 3.24Å; C169-L173 WeakPolarHBondContact O-CG 3.37Å; C169-L173 PolarHBondContact O-N 3.09Å
170A97.8Very high95.9Very high9 Ų962.4 Ų62.47%0.07434%0.336CS..Hα-helixtrans-60.9-45.7177.300000111.8A161 H162 F166 Q167 L173 A174A161-A170 HydrophobicContact CB-CB 3.97Å; H162-A170 HydrophobicContact CB-CB 3.95Å; F166-A170 PolarHBondContact O-N 3.25Å; Q167-A170 PolarHBondContact O-N 2.94Å; A170-L173 PolarHBondContact O-N 3.19Å; A170-A174 VanDerWaalsContact O-CB 3.3Å; A170-A174 WeakPolarHBondContact O-CB 3.33Å; A170-A174 PolarHBondContact O-N 2.95Å
171Q97.6Very high95.3Very high115 Ų11565.4 Ų65.454%0.53735%0.35SS..Hα-helixtrans-65.6-40.8178.2-17363.570.700112.1Q167 E168 N175Q167-Q171 WeakPolarHBondContact O-CB 3.47Å; Q167-Q171 PolarHBondContact O-N 3.3Å; E168-Q171 PolarHBondContact O-N 3.02Å; Q171-N175 PolarHBondContact NE2-OD1 3.02Å; Q171-N175 VanDerWaalsContact O-CB 3.31Å; Q171-N175 WeakPolarHBondContact O-CB 3.39Å; Q171-N175 PolarHBondContact O-N 2.85Å; Q171-N175 PolarHBondContact O-ND2 3.06Å; Q171-N175 PolarHBondContact O-OD1 3.47Å
172M97.5Very high94.8Very high48 Ų4870 Ų7024%0.23637%0.374CS..Hα-helixtrans-61.4-47.4175.8178.8175.4-76.900111.7L134 I137 N138 L141 E168 C169 N175 A176L134-M172 HydrophobicContact CD1-CB 4.47Å; L134-M172 HydrophobicContact CD1-CE 3.6Å; L134-M172 HydrophobicContact CD1-SD 3.67Å; L134-M172 HydrophobicContact CD2-CE 4.15Å; L134-M172 HydrophobicContact CG-CE 3.78Å; L134-M172 HydrophobicContact CG-SD 4.06Å; I137-M172 HydrophobicContact CB-SD 4.36Å; I137-M172 HydrophobicContact CG2-CG 4.07Å; I137-M172 HydrophobicContact CG2-SD 3.68Å; N138-M172 WeakPolarHBondContact OD1-CE 3.46Å; N138-M172 PolarHBondContact OD1-SD 2.76Å; N138-M172 VanDerWaalsContact OD1-SD 3.38Å; L141-M172 HydrophobicContact CD1-CG 4.2Å; E168-M172 VanDerWaalsContact O-CB 3.29Å; E168-M172 WeakPolarHBondContact O-CB 3.27Å; E168-M172 PolarHBondContact O-N 3.27Å; C169-M172 PolarHBondContact O-N 2.98Å; M172-N175 PolarHBondContact O-N 3.03Å; M172-A176 WeakPolarHBondContact O-CB 3.48Å; M172-A176 PolarHBondContact O-N 3.05Å
173L97.7Very high94Very high0 Ų069.1 Ų69.10%037%0.372CS..Hα-helixtrans-66.4-43.5179.3-70.8163.5000111.9I125 A129 I137 A157 A158 A161 C169 A170 N175 A176 Q177I125-L173 HydrophobicContact CD1-CD2 3.49Å; I125-L173 VanDerWaalsContact CD1-CD2 3.49Å; I125-L173 HydrophobicContact CG1-CD2 3.83Å; A129-L173 HydrophobicContact CB-CD1 3.71Å; I137-L173 HydrophobicContact CD1-CD1 3.92Å; I137-L173 HydrophobicContact CD1-CG 4.33Å; I137-L173 HydrophobicContact CG1-CD1 4.4Å; I137-L173 HydrophobicContact CG1-CD2 4.44Å; I137-L173 HydrophobicContact CG2-CD2 3.62Å; I137-L173 HydrophobicContact CG2-CG 3.91Å; A157-L173 HydrophobicContact CB-CD1 3.95Å; A157-L173 HydrophobicContact CB-CD2 4.21Å; A158-L173 HydrophobicContact CB-CB 3.7Å; A161-L173 HydrophobicContact CB-CD1 4.27Å; C169-L173 WeakPolarHBondContact O-CB 3.2Å; C169-L173 WeakPolarHBondContact O-CD1 3.4Å; C169-L173 VanDerWaalsContact O-CG 3.24Å; C169-L173 WeakPolarHBondContact O-CG 3.37Å; C169-L173 PolarHBondContact O-N 3.09Å; A170-L173 PolarHBondContact O-N 3.19Å; L173-N175 PolarHBondContact O-N 2.76Å; L173-A176 PolarHBondContact O-N 3.32Å; L173-Q177 WeakPolarHBondContact O-CB 3.26Å; L173-Q177 PolarHBondContact O-N 2.89Å
174A96.5Very high93.1Very high29 Ų2968.1 Ų68.124%0.2436%0.364CS..Hα-helixtrans-62.7-40.7174.900000112A158 A170 Q177 N178A158-A174 HydrophobicContact CB-CB 4.44Å; A170-A174 VanDerWaalsContact O-CB 3.3Å; A170-A174 WeakPolarHBondContact O-CB 3.33Å; A170-A174 PolarHBondContact O-N 2.95Å; A174-Q177 PolarHBondContact O-N 3.31Å; A174-N178 PolarHBondContact O-N 3.06Å; A174-N178 VanDerWaalsContact O-N 3.13Å; A174-N178 PolarHBondContact O-ND2 3.23Å
175N95.5Very high91.9Very high81 Ų8170 Ų7043%0.43337%0.372SS..Hα-helixtrans-61.8-46.5174-71.9-10.7000111.2Q171 M172 L173 Q177 N178 L179Q171-N175 PolarHBondContact NE2-OD1 3.02Å; Q171-N175 VanDerWaalsContact O-CB 3.31Å; Q171-N175 WeakPolarHBondContact O-CB 3.39Å; Q171-N175 PolarHBondContact O-N 2.85Å; Q171-N175 PolarHBondContact O-ND2 3.06Å; Q171-N175 PolarHBondContact O-OD1 3.47Å; M172-N175 PolarHBondContact O-N 3.03Å; L173-N175 PolarHBondContact O-N 2.76Å; N175-Q177 PolarHBondContact O-N 3.35Å; N175-N178 PolarHBondContact O-N 2.9Å; N175-L179 PolarHBondContact O-N 3.38Å
176A95.1Very high90.5Very high13 Ų1371.9 Ų71.911%0.10738%0.378CS..Hα-helixtrans-63-40.1179.100000112.8L141 A147 M172 L173 L179 Q180L141-A176 HydrophobicContact CD1-CB 3.66Å; L141-A176 HydrophobicContact CD2-CB 3.68Å; L141-A176 HydrophobicContact CG-CB 4.3Å; A147-A176 HydrophobicContact CB-CB 4.17Å; M172-A176 WeakPolarHBondContact O-CB 3.48Å; M172-A176 PolarHBondContact O-N 3.05Å; L173-A176 PolarHBondContact O-N 3.32Å; A176-L179 WeakPolarHBondContact O-CB 3.21Å; A176-L179 PolarHBondContact O-N 3.32Å; A176-Q180 WeakPolarHBondContact O-CG 3.28Å; A176-Q180 PolarHBondContact O-N 3.09Å
177Q93.1Very high88.8Confident31 Ų3174.6 Ų74.615%0.14540%0.395CS..Hα-helixtrans-59.3-48.1174.3-177.5178.236.800111.6A147 D148 L173 A174 N175 L179 Q180 Q181A147-Q177 HydrophobicContact CB-CB 4.18Å; D148-Q177 HydrophobicContact CB-CG 4.01Å; L173-Q177 WeakPolarHBondContact O-CB 3.26Å; L173-Q177 PolarHBondContact O-N 2.89Å; A174-Q177 PolarHBondContact O-N 3.31Å; N175-Q177 PolarHBondContact O-N 3.35Å; Q177-L179 PolarHBondContact O-N 3.09Å; Q177-Q180 PolarHBondContact O-N 3.46Å; Q177-Q181 WeakPolarHBondContact O-CG 3.43Å; Q177-Q181 PolarHBondContact O-N 3.39Å
178N92Very high86.8Confident84 Ų8474 Ų7445%0.44939%0.392SS..Hα-helixtrans-62-41.4176.6-76.4-69.4000112A174 N175 Q181 N182A174-N178 PolarHBondContact O-N 3.06Å; A174-N178 VanDerWaalsContact O-N 3.13Å; A174-N178 PolarHBondContact O-ND2 3.23Å; N175-N178 PolarHBondContact O-N 2.9Å; N178-Q181 PolarHBondContact O-N 3.44Å; N178-N182 WeakPolarHBondContact O-CB 3.25Å; N178-N182 PolarHBondContact O-N 3.23Å; N178-N182 PolarHBondContact O-ND2 3.45Å; N178-N182 VanDerWaalsContact O-ND2 3.14Å
179L90.8Very high84.7Confident112 Ų11268.7 Ų68.759%0.58638%0.376SS*.Hα-helixtrans-60.2-46.1174.6-84.6153.7000112.3N175 A176 Q177 N182 M183N175-L179 PolarHBondContact O-N 3.38Å; A176-L179 WeakPolarHBondContact O-CB 3.21Å; A176-L179 PolarHBondContact O-N 3.32Å; Q177-L179 PolarHBondContact O-N 3.09Å; L179-N182 PolarHBondContact O-N 3.01Å; L179-M183 WeakPolarHBondContact O-CG 3.43Å; L179-M183 PolarHBondContact O-N 2.87Å
180Q90.2Very high82.5Confident51 Ų5172.1 Ų72.124%0.23841%0.405CS..Hα-helixtrans-63.8-43.1178.2-72.9177.4-11.300111.9A145 A176 Q177 M183 A184A145-Q180 PolarHBondContact O-NE2 2.84Å; A176-Q180 WeakPolarHBondContact O-CG 3.28Å; A176-Q180 PolarHBondContact O-N 3.09Å; Q177-Q180 PolarHBondContact O-N 3.46Å; Q180-M183 HydrophobicContact CG-CE 4.48Å; Q180-M183 PolarHBondContact O-N 3.49Å; Q180-A184 PolarHBondContact O-N 3.48Å
181Q86.6Confident80.4Confident75 Ų7580.2 Ų80.235%0.3544%0.439SS..Hα-helixtrans-64.5-43.6176.7-71176.611.800112.7Q177 N178 M183 A184 Q185Q177-Q181 WeakPolarHBondContact O-CG 3.43Å; Q177-Q181 PolarHBondContact O-N 3.39Å; N178-Q181 PolarHBondContact O-N 3.44Å; Q181-M183 VanDerWaalsContact C-N 3.32Å; Q181-M183 PolarHBondContact O-N 2.89Å; Q181-A184 PolarHBondContact O-N 3.33Å; Q181-Q185 WeakPolarHBondContact O-CG 3.23Å; Q181-Q185 PolarHBondContact O-N 3.03Å
182N86Confident78.1Confident96 Ų9680.8 Ų80.851%0.51345%0.445SS..Hα-helixtrans-62.4-37.6178.6-73.9-27.8000112.4N178 L179 S186N178-N182 WeakPolarHBondContact O-CB 3.25Å; N178-N182 PolarHBondContact O-N 3.23Å; N178-N182 PolarHBondContact O-ND2 3.45Å; N178-N182 VanDerWaalsContact O-ND2 3.14Å; L179-N182 PolarHBondContact O-N 3.01Å; N182-S186 WeakPolarHBondContact O-CB 3.49Å; N182-S186 PolarHBondContact O-N 2.94Å
183M81.8Confident75.7Confident119 Ų11985.9 Ų85.959%0.58647%0.473SS*.Hα-helixtrans-65.5-42.1174-71.6-173.1-71.400112.2L179 Q180 Q181 S186 L187L179-M183 WeakPolarHBondContact O-CG 3.43Å; L179-M183 PolarHBondContact O-N 2.87Å; Q180-M183 HydrophobicContact CG-CE 4.48Å; Q180-M183 PolarHBondContact O-N 3.49Å; Q181-M183 VanDerWaalsContact C-N 3.32Å; Q181-M183 PolarHBondContact O-N 2.89Å; M183-S186 PolarHBondContact O-N 2.77Å; M183-L187 PolarHBondContact O-N 3.04Å
184A75.6Confident73.2Confident61 Ų6189.2 Ų89.250%0.50451%0.507SS..Hα-helixtrans-63.4-41.1176.900000112.6Q180 Q181 H188Q180-A184 PolarHBondContact O-N 3.48Å; Q181-A184 PolarHBondContact O-N 3.33Å; A184-H188 PolarHBondContact O-N 3.05Å
185Q70.3Confident71Confident126 Ų12693.4 Ų93.459%0.58953%0.53SS*.Hα-helixtrans-68.2-40.5176.9-68.4178.626.700112.5Q181 L187 H188 G189Q181-Q185 WeakPolarHBondContact O-CG 3.23Å; Q181-Q185 PolarHBondContact O-N 3.03Å; Q185-L187 VanDerWaalsContact C-N 3.34Å; Q185-L187 PolarHBondContact O-N 3.23Å; Q185-H188 PolarHBondContact O-N 2.95Å; Q185-H188 VanDerWaalsContact O-N 3.11Å; Q185-G189 PolarHBondContact O-N 3.39Å
186S66.5Low68.7Low89 Ų8995.8 Ų95.862%0.62255%0.547SS*.Hα-helixtrans-58-44.6177-176.50000112.2N182 M183 H188 G189 A190N182-S186 WeakPolarHBondContact O-CB 3.49Å; N182-S186 PolarHBondContact O-N 2.94Å; M183-S186 PolarHBondContact O-N 2.77Å; S186-H188 VanDerWaalsContact C-N 3.33Å; S186-H188 PolarHBondContact O-N 3.04Å; S186-G189 PolarHBondContact O-N 2.74Å; S186-A190 PolarHBondContact O-N 2.97Å
187L61Low66.2Low126 Ų126104.4 Ų104.466%0.6659%0.585SS**Hα-helixtrans-61.2-39.1174.5-71.4168.3000112.3M183 Q185 F191M183-L187 PolarHBondContact O-N 3.04Å; Q185-L187 VanDerWaalsContact C-N 3.34Å; Q185-L187 PolarHBondContact O-N 3.23Å; L187-F191 WeakPolarHBondContact O-CD2 3.11Å
188H56.1Low63.7Low138 Ų138111 Ų11164%0.63962%0.622SS**Hα-helixtrans-69-41.2177.5-122.682.6000112.8A184 Q185 S186 A190 F191A184-H188 PolarHBondContact O-N 3.05Å; Q185-H188 PolarHBondContact O-N 2.95Å; Q185-H188 VanDerWaalsContact O-N 3.11Å; S186-H188 VanDerWaalsContact C-N 3.33Å; S186-H188 PolarHBondContact O-N 3.04Å; H188-A190 VanDerWaalsContact C-N 3.27Å; H188-A190 PolarHBondContact O-N 2.88Å; H188-F191 PolarHBondContact O-N 2.88Å
189G52.5Low61Low35 Ų35110.4 Ų110.436%0.36164%0.635SS.*Hα-helixtrans-61.9-32.8178.900000113.5Q185 S186 F191 L192 N193Q185-G189 PolarHBondContact O-N 3.39Å; S186-G189 PolarHBondContact O-N 2.74Å; G189-F191 VanDerWaalsContact C-N 3.28Å; G189-F191 PolarHBondContact O-N 3.14Å; G189-L192 PolarHBondContact O-N 2.75Å; G189-N193 PolarHBondContact O-N 3.42Å
190A52.6Low58.7Low77 Ų77108.7 Ų108.764%0.63664%0.644SS**Hα-helixtrans-62.3-31.4177.100000113.5S186 H188S186-A190 PolarHBondContact O-N 2.97Å; H188-A190 VanDerWaalsContact C-N 3.27Å; H188-A190 PolarHBondContact O-N 2.88Å
191F52.6Low56.4Low178 Ų178115.7 Ų115.778%0.78168%0.677SS**Hα-helixtrans-81.9-25.6178.7-77.7-81000113.8L187 H188 G189L187-F191 WeakPolarHBondContact O-CD2 3.11Å; H188-F191 PolarHBondContact O-N 2.88Å; G189-F191 VanDerWaalsContact C-N 3.28Å; G189-F191 PolarHBondContact O-N 3.14Å
192L50.4Low54.2Low127 Ų127116.7 Ų116.767%0.66570%0.698SS**Hα-helixtrans-88.9-27.4-176.2-66.8174.8000113.7G189 G194 V195G189-L192 PolarHBondContact O-N 2.75Å; L192-G194 PolarHBondContact O-N 2.76Å; L192-V195 PolarHBondContact O-N 3.17Å
193N47Very low51.7Low156 Ų156121 Ų12183%0.83472%0.715SS**THydrogen-bonded Turntrans-66.6-1.5176.8-93.5-0.9000114.8G189 V195G189-N193 PolarHBondContact O-N 3.42Å; N193-V195 VanDerWaalsContact C-N 3.34Å
194G45Very low49.5Very low69 Ų69118.9 Ų118.971%0.71172%0.716SS**THydrogen-bonded Turntrans-76.7-13.7172.900000115L192L192-G194 PolarHBondContact O-N 2.76Å
195V51.3Low47.9Very low118 Ų118122 Ų12272%0.71573%0.729SS**SBendtrans-130.373.9-171.2-167.80000112.4L192 N193L192-V195 PolarHBondContact O-N 3.17Å; N193-V195 VanDerWaalsContact C-N 3.34Å
196T47.2Very low46.8Very low130 Ų130123.9 Ų123.980%0.79874%0.741SS**  trans171127.8130.231.30000110.7
197Q41.4Very low45.4Very low195 Ų195128.5 Ų128.591%0.91175%0.753SS**  -157.5153.7125.3-80.3-134.55.700109.6
198N39.9Very low44.3Very low169 Ų169126 Ų12690%0.90476%0.758SS**  trans-68.8165.6-175.8-61.3-52.2000112.9
199G36.8Very low43.5Very low71 Ų71129.8 Ų129.873%0.73277%0.767SS**  trans171.27.6167.800000118.7H201G199-H201 PolarHBondContact O-N 2.82Å
200G41.9Very low43.1Very low76 Ų76133.7 Ų133.778%0.78479%0.789SS**  trans-75.175.7-176.700000114.6
201H40.9Very low42.3Very low199 Ų199138.4 Ų138.492%0.92180%0.795SS**SBendtrans-180149.1139.4-92.3-60.1000110.1G199G199-H201 PolarHBondContact O-N 2.82Å
202A40.4Very low41.9Very low96 Ų96137.2 Ų137.279%0.79380%0.796SS**  trans-103.1149-161.700000114.9
203H34.3Very low41.2Very low186 Ų186139 Ų13986%0.86181%0.806SS**  -163168.2124.3-150.2-112.3000113.5
204A35.2Very low40.5Very low74 Ų74135 Ų13561%0.61280%0.803SS**  trans68.893.315900000120.7
205T42.8Very low40.4Very low127 Ų127138.6 Ų138.678%0.77981%0.81SS**  48.2113.5114.5-46.90000120.6
206I47.5Very low40.2Very low165 Ų165138.4 Ų138.485%0.84681%0.811SS**  -157.4149.1114.4-104.8162.4000110
207Q36.9Very low39.7Very low186 Ų186138.6 Ų138.687%0.86981%0.807SS**  trans-77.7140.1-177.2-64.2166.9-59.700111.6
208G37.7Very low39.9Very low75 Ų75141.1 Ų141.177%0.77381%0.808SS**  trans-76161.2176.600000114
209R38.6Very low40.1Very low216 Ų216142.1 Ų142.182%0.81581%0.805SS**  trans-135107.9159.4-79.6-169.5171.8-173.3-3.3110.1F211R209-F211 HydrophobicContact CB-CD2 4.44Å; R209-F211 HydrophobicContact CB-CE2 4.04Å
210S44.3Very low40.6Very low117 Ų117150.6 Ų150.682%0.81882%0.815SS**  trans-71.5134.5163.7-48.60000109.4
211F36.9Very low40.2Very low177 Ų177151.7 Ų151.778%0.77681%0.81SS**  trans-133.8130.2159.5-73.2-64.1000109.9R209R209-F211 HydrophobicContact CB-CD2 4.44Å; R209-F211 HydrophobicContact CB-CE2 4.04Å
212L42.9Very low39.8Very low153 Ų153150.2 Ų150.280%0.80180%0.801SS**  trans-95.8164.7179.1-73.5163.7000110.8
213N35.8Very low39.6Very low163 Ų163153.1 Ų153.187%0.87280%0.799SS**  trans71150.2162.5-54.3-22.7000117.4
214G33.4Very low39.5Very low74 Ų74147.4 Ų147.476%0.76379%0.79SS**  trans147.92615200000121.7
215V41.7Very low39.8Very low144 Ų144151.8 Ų151.887%0.87380%0.801SS**  trans-71.6132.8151.9-125.30000107
216P47.7Very low39.5Very low113 Ų113154.3 Ų154.373%0.73480%0.804SS**  -149.715681.339.2-21.3000117.4
217N37.1Very low38.9Very low134 Ų134150.9 Ų150.972%0.71780%0.801SS**  trans34.8121.4132.2-155-12.7000120.2
218R44.6Very low38.9Very low248 Ų248149.4 Ų149.494%0.93680%0.799SS**  trans-122.798.8159.8-79.2-173177.9171.41.5111.7
219K44.8Very low39.4Very low191 Ų191150.8 Ų150.883%0.8379%0.794SS**  trans-82.1149.3147.3-71.3-172.9176.9-1760109.1
220R46.2Very low39.3Very low249 Ų249147.9 Ų147.994%0.9479%0.794SS**  trans-143.1128.6159.9-128.9-178.9-167.9-178.82.6110.2
221S34.9Very low39.1Very low98 Ų98151.4 Ų151.469%0.68580%0.795SS**  trans-76.8-178.3160.947.70000109.7
222F31.9Very low39.3Very low168 Ų168152.6 Ų152.674%0.73780%0.8SS**  cis-165.2169.912.1-128.8-172.1000106.4
223E37Very low38.9Very low157 Ų157150.8 Ų150.873%0.73480%0.8SS**  cis-165-177.2-9.7-152.1174.1-167.300108
224G32.4Very low39Very low66 Ų66154.4 Ų154.468%0.6880%0.801SS**  trans119.310415100000119.5
225I41.3Very low40Very low166 Ų166156 Ų15685%0.85180%0.798SS**  28136.4123.3-96.9157.3000119.5
226E36.1Very low39.6Very low180 Ų180157.1 Ų157.184%0.84180%0.799SS**  cis-163.7-157.2-5.9-148.8-169.2-170.200110.3
227A35Very low38.8Very low94 Ų94155.5 Ų155.578%0.77780%0.803SS**  trans80.5100.5166.100000120.2
228N35.8Very low39Very low155 Ų155157.6 Ų157.683%0.82981%0.814SS**  trans-72.2-178.8150.4-131.5-5.7000109.3
229P49Very low38.3Very low104 Ų104150.2 Ų150.268%0.67580%0.8SS**  cis-138.7164.92.441.3-23.5000117.5
230L35.6Very low37.9Very low155 Ų155149.7 Ų149.781%0.81280%0.803SS**  trans-145.8104.4157.2-108.3127.2000115.7
231K41.8Very low37.2Very low190 Ų190141.4 Ų141.483%0.82679%0.788SS**  trans52.9118.1143.1-63.3-174.5179.51780121.7
232K40.8Very low37.1Very low202 Ų202141.3 Ų141.388%0.87879%0.793SS**  trans-60.5163.5147.6-58.7171.9-178.2175.60109.1
233S33.8Very low37.3Very low115 Ų115141.8 Ų141.880%0.80480%0.802SS**  -176.8148.961.653.70000115.6
234R38.7Very low37.8Very low239 Ų239139.3 Ų139.390%0.90280%0.8SS**  trans-86171.9147.1-69.5-178.6177.8172.8-1.6108.5
235P53Low37.8Very low108 Ų108144.7 Ų144.770%0.70181%0.807SS**  cis-147.8-174.522.745-24.1000118.3
236N34.2Very low37.4Very low167 Ų167144.6 Ų144.689%0.89381%0.808SS**  trans30.9133.8148-59.713.5000122.6
237G31.6Very low37.3Very low80 Ų80139.4 Ų139.483%0.82580%0.804SS**  trans-170.1123.3161.400000115.7
238L39.7Very low37.4Very low178 Ų178140.8 Ų140.893%0.93281%0.807SS**  trans-43.5169.7161.2-60.9164.1000114.2
239S30.7Very low37.4Very low93 Ų93136.6 Ų136.665%0.6580%0.801SS**  cis173.2159.5-16-179.70000107.1
240M36Very low37.3Very low179 Ų179137.4 Ų137.488%0.88281%0.806SS**  trans65.4154.9170.7-64.2-66.8-88.800116.9
241A31.9Very low37.4Very low76 Ų76138.3 Ų138.363%0.62881%0.811SS**  cis-165.6171.9-16.800000112.6
242A33.3Very low37.1Very low96 Ų96133 Ų13379%0.79381%0.81SS**  trans72.8116.4148.500000121.7
243L35Very low36.8Very low177 Ų177126.9 Ų126.993%0.92780%0.804SS**  trans-135.2141135.9-84.8176.7000108.7
244P48.6Very low37.2Very low106 Ų106127.8 Ų127.869%0.68881%0.808SS**  trans-102.7164-175.238.9-35.1000114.8
245Q32.6Very low37.1Very low178 Ų178122 Ų12283%0.83280%0.804SS**  trans24.5135.8143-57.6173.8-200118.2
246N32.3Very low36.3Very low164 Ų164125.6 Ų125.688%0.87781%0.811SS**  -174.6167.557.2-149.2-7000110.8
247G33.9Very low37Very low72 Ų72123.4 Ų123.474%0.74281%0.806SS**  trans154.1113.3166.900000117.2
248S37.8Very low37.1Very low122 Ų122126.8 Ų126.885%0.85380%0.8SS**  trans-78.7159177.549.60000114.8
249G34.2Very low37Very low68 Ų68127.1 Ų127.170%0.70180%0.799SS**  trans-78.8-149.5170.200000114.2
250P47.3Very low37.3Very low120 Ų120128.6 Ų128.678%0.77980%0.8SS**  cis-135175.126.643.4-27.3000117.4
251L37.9Very low37.4Very low174 Ų174124.4 Ų124.491%0.91179%0.788SS**  trans13.3126.4149.2-63.4165.7000120
252G35.6Very low37.4Very low79 Ų79129.1 Ų129.181%0.81480%0.799SS**  trans-154.9124.1162.400000113.8
253G34.1Very low37.4Very low73 Ų73132.9 Ų132.975%0.75381%0.806SS**  trans52.6107.4152.600000121
254P42.5Very low37.5Very low135 Ų135132.6 Ų132.688%0.87780%0.802SS**  trans-74.8139.2152.133.1-31.3000110.3
255S36.1Very low36.8Very low117 Ų117135.1 Ų135.182%0.81881%0.805SS**  trans-118.4106.9174.5590000110.7
256E36.4Very low36.9Very low184 Ų184134.1 Ų134.186%0.8680%0.802SS**  trans-77.9140175.3-60179.1122.600111.7
257P49.9Very low37.1Very low121 Ų121130.6 Ų130.679%0.78680%0.795SS**  trans-86.3101.6157.332.1-27.8000110
258Q33.3Very low37.6Very low150 Ų150132.9 Ų132.970%0.70180%0.797SS**  trans-25.9126.2166.3178.7176.4-11.300115.6D260Q258-D260 VanDerWaalsContact NE2-CG 3.33Å; Q258-D260 PolarHBondContact NE2-OD1 3.22Å; Q258-D260 PolarHBondContact NE2-OD2 2.68Å; Q258-D260 VanDerWaalsContact NE2-OD2 3.11Å
259M37.2Very low37.3Very low185 Ų185131.9 Ų131.991%0.91180%0.796SS**  trans-96.3113.6163.5-73.2-173.1176.700110S261M259-S261 PolarHBondContact O-N 2.76Å
260D37.2Very low37.4Very low124 Ų124135.5 Ų135.566%0.66380%0.804SS**  trans-86.9105.2175.3-79.5-39.7000112.8Q258Q258-D260 VanDerWaalsContact NE2-CG 3.33Å; Q258-D260 PolarHBondContact NE2-OD1 3.22Å; Q258-D260 PolarHBondContact NE2-OD2 2.68Å; Q258-D260 VanDerWaalsContact NE2-OD2 3.11Å
261S38.2Very low36.7Very low91 Ų91136.2 Ų136.264%0.63681%0.807SS**  trans42.4113.2132-56.80000120.7M259M259-S261 PolarHBondContact O-N 2.76Å
262M32.1Very low36.5Very low175 Ų175133 Ų13386%0.86280%0.799SS**  48.6121.1126.6-53.4-178.7-16400120
263N32.8Very low36.4Very low175 Ų175136.1 Ų136.194%0.93680%0.802SS**  trans-136.4143.9133.7-97.1-45.1000109.5
264M37.3Very low36.4Very low172 Ų172136.9 Ų136.985%0.84780%0.801SS**  trans-140.1157-174.1-178.964.9171.400107.8
265E33.5Very low35.9Very low159 Ų159134.3 Ų134.374%0.74380%0.799SS**  trans66.4157.8-171.1-61.4-164.986.400114.2
266M35Very low35.7Very low157 Ų157137 Ų13777%0.77380%0.799SS**  cis-140.2146.97.6-148.8174.3-158.800111.3
267A36Very low35.6Very low89 Ų89140.1 Ų140.174%0.73680%0.803SS**  trans-87157164.400000110.4
268P46Very low34.6Very low120 Ų120142.3 Ų142.378%0.77980%0.802SS**  trans-129.3132.713635-26.7000112
269A31Very low34.4Very low101 Ų101141 Ų14184%0.83581%0.808SS**  trans-82.6139.1163.200000109.6
270V36.4Very low34Very low144 Ų144135.8 Ų135.887%0.87380%0.802SS**  trans-128.3142.7164.5-75.80000110.6
271T33Very low33.6Very low135 Ų135136.9 Ų136.983%0.82881%0.808SS**  trans-79.2138.7-161.845.90000114.9
272S32.4Very low33.2Very low107 Ų107142.8 Ų142.875%0.74882%0.822SS**  trans-0.7130.4140.9178.80000118.2
273V35Very low33Very low144 Ų144139.4 Ų139.487%0.87382%0.816SS**  trans-130.9138.7138.5-179.60000107.9
274A33.1Very low32.9Very low89 Ų89136.7 Ų136.774%0.73681%0.81SS**  trans-83.5163.7-17600000113.5
275G31.7Very low32.5Very low81 Ų81133.8 Ų133.884%0.83581%0.807SS**  trans-163.251.1-176.700000114.2
276E32.8Very low32.4Very low175 Ų175131.5 Ų131.582%0.81881%0.809SS**  trans-65.9141.7174.2-64.2-178.4101.500112.6
277R32.8Very low32.6Very low249 Ų249130.1 Ų130.194%0.9481%0.811SS**  trans-158.2149.6135.1-114.6-179.1-65-1793.4110.8
278H29.3Very low32.3Very low166 Ų166132.1 Ų132.177%0.76982%0.815SS**  trans-119161.2-166.7-118.574.4000112.1
279C28.9Very low31.5Very low123 Ų123131.5 Ų131.583%0.83182%0.82SS**  trans67.6140.5159.3-62.90000119.9
280G28.8Very low31.3Very low76 Ų76130.6 Ų130.678%0.78482%0.82SS**  trans171.739175.600000115.2
281D30Very low31Very low146 Ų146132.6 Ų132.678%0.78182%0.822SS**  trans-63.7147.5170.7-69.1-61.6000111.7
282F28.6Very low30.9Very low216 Ų216134.4 Ų134.495%0.94783%0.825SS**  -170.9160.5129.6-98.7-60.2000111.5
283S29.2Very low30.7Very low103 Ų103137.2 Ų137.272%0.7283%0.831SS**  trans-117157.1-159.4-47.70000114.4
284S30.1Very low30.3Very low118 Ų118134 Ų13483%0.82583%0.826SS**  trans64.8141.9162.372.10000116.3
285S29.2Very low30.2Very low112 Ų112138.5 Ų138.578%0.78383%0.832SS**  cis-168.6171.74542.10000111.2
286S31.1Very low30Very low111 Ų111143.7 Ų143.778%0.77684%0.835SS**  trans-85.1163.7168.855.10000111.7
287P40.3Very low30Very low127 Ų127142.5 Ų142.583%0.82583%0.832SS**  -146-175.6105.739.1-23.4000116.1
288T29.1Very low29.7Very low131 Ų131136.8 Ų136.880%0.80483%0.829SS**  trans-56.9141.6-170.9470000119.9
289A29.2Very low29.6Very low108 Ų108134.2 Ų134.289%0.89383%0.83SS**  53.9131.8127.400000122.4
290G26.2Very low29.8Very low81 Ų81136.9 Ų136.984%0.83583%0.83SS**  trans-176.4118.8161.100000112.9
291M30.4Very low30Very low186 Ų186141 Ų14192%0.91683%0.833SS**  trans-84.8146.3165.6-65.6166.958.900109.7
292I30.1Very low30.3Very low173 Ų173140 Ų14089%0.88784%0.838SS**  trans-159.5153142.2-89.8-127.7000109.8
293L29.3Very low30.7Very low166 Ų166134.4 Ų134.487%0.86983%0.825SS**  trans-78.9149.6-177.9-161.977.5000112.2
294G26.8Very low31.3Very low76 Ų76134.4 Ų134.478%0.78483%0.825SS**  trans-172.187.7173.200000114.6
295Q30.7Very low31.7Very low184 Ų184134.1 Ų134.186%0.8682%0.818SS**  trans-78136.5165.2-69175.3-42.900109.9
296H27.7Very low32.1Very low191 Ų191130.5 Ų130.588%0.88480%0.799SS**  trans-153.5152.3141.4-124.8-86000111.9
297I31.8Very low32.8Very low150 Ų150129.1 Ų129.177%0.76979%0.789SS**  trans-84.8141.3-169.9-61.8158000110.9
298C26.8Very low32.8Very low129 Ų129129.3 Ų129.387%0.87278%0.779SS**  trans-145.6154.9151.3-138.90000110.3
299S27.1Very low33.6Very low111 Ų111126.2 Ų126.278%0.77676%0.76SS**  trans-91.9169.8-154.5-54.10000116.1
300E32.9Very low34.2Very low179 Ų179127.1 Ų127.184%0.83675%0.746SS**  trans-56.6151.8170.7-52.9176123.400113.6
301L34.3Very low35.1Very low163 Ų163127.6 Ų127.685%0.85373%0.726SS**  trans146.281.1134.6-79.1163.1000113.1
302S34.7Very low35.3Very low126 Ų126124.4 Ų124.488%0.88171%0.708SS**  trans16398.8140.544.80000113.9
303S36.9Very low35.8Very low97 Ų97122.7 Ų122.768%0.67870%0.695SS**  trans-156-5167.360.90000116.9V305 G306 S307S303-V305 PolarHBondContact O-N 3.23Å; S303-V305 VanDerWaalsContact O-N 3.07Å; S303-G306 PolarHBondContact O-N 3.47Å; S303-S307 PolarHBondContact O-N 2.87Å
304S43.7Very low36.4Very low104 Ų104117.5 Ų117.573%0.72767%0.672SS**Hα-helixtrans-53.3-33.8-175-171.20000114.5
305V38.1Very low37.2Very low111 Ų111115 Ų11567%0.67364%0.641SS**Hα-helixtrans-81.1-28.9179.8-172.20000112.7S303 V309S303-V305 PolarHBondContact O-N 3.23Å; S303-V305 VanDerWaalsContact O-N 3.07Å; V305-V309 HydrophobicContact CG1-CG2 4.45Å; V305-V309 WeakPolarHBondContact O-CG2 3.38Å; V305-V309 PolarHBondContact O-N 3.38Å
306G37.8Very low37.4Very low36 Ų36112.6 Ų112.637%0.37163%0.628SS.*Hα-helixtrans-67.1-56.4-178.300000111.6S303 Q308 V309 E310S303-G306 PolarHBondContact O-N 3.47Å; G306-Q308 VanDerWaalsContact C-N 3.27Å; G306-Q308 PolarHBondContact O-N 2.99Å; G306-V309 PolarHBondContact O-N 3.47Å; G306-V309 VanDerWaalsContact O-N 3.1Å; G306-E310 WeakPolarHBondContact O-CG 3.18Å; G306-E310 PolarHBondContact O-N 2.85Å
307S44.9Very low37.9Very low82 Ų82106.3 Ų106.357%0.57361%0.609SS**Hα-helixtrans-56.7-38.5-179.41770000112.8S303 E310 H311S303-S307 PolarHBondContact O-N 2.87Å; S307-E310 PolarHBondContact O-N 3.22Å; S307-H311 VanDerWaalsContact O-CB 3.26Å; S307-H311 WeakPolarHBondContact O-CB 3.27Å; S307-H311 PolarHBondContact O-N 2.84Å
308Q41.4Very low38.5Very low132 Ų132102.7 Ų102.762%0.61759%0.589SS**Hα-helixtrans-70.9-35.4179.9-152.6175.140.500112.6G306 Q312G306-Q308 VanDerWaalsContact C-N 3.27Å; G306-Q308 PolarHBondContact O-N 2.99Å; Q308-Q312 WeakPolarHBondContact O-CB 3.37Å; Q308-Q312 WeakPolarHBondContact O-CG 3.27Å; Q308-Q312 PolarHBondContact O-N 3.26Å; Q308-Q312 VanDerWaalsContact O-N 3.08Å
309V44.3Very low39.4Very low66 Ų66102.2 Ų102.240%0.457%0.574SS.*Hα-helixtrans-75.7-35.2175.3170.70000111.8V305 G306 K313V305-V309 HydrophobicContact CG1-CG2 4.45Å; V305-V309 WeakPolarHBondContact O-CG2 3.38Å; V305-V309 PolarHBondContact O-N 3.38Å; G306-V309 PolarHBondContact O-N 3.47Å; G306-V309 VanDerWaalsContact O-N 3.1Å; V309-K313 HydrophobicContact CG1-CD 4.36Å; V309-K313 VanDerWaalsContact O-CG 3.29Å; V309-K313 WeakPolarHBondContact O-CG 3.35Å; V309-K313 PolarHBondContact O-N 3.4Å
310E43.4Very low39.9Very low127 Ų127103.4 Ų103.459%0.59357%0.569SS**Hα-helixtrans-67.7-46.1173.9-72.1175.8151.600111.2G306 S307 Q312 K313 S314G306-E310 WeakPolarHBondContact O-CG 3.18Å; G306-E310 PolarHBondContact O-N 2.85Å; S307-E310 PolarHBondContact O-N 3.22Å; E310-Q312 PolarHBondContact O-N 2.68Å; E310-K313 WeakPolarHBondContact O-CA 3.35Å; E310-K313 WeakPolarHBondContact O-CB 3.34Å; E310-K313 PolarHBondContact O-N 3.1Å; E310-S314 PolarHBondContact O-N 2.84Å; E310-S314 PolarHBondContact O-OG 2.81Å
311H43.3Very low40.4Very low90 Ų90100.7 Ų100.742%0.41755%0.552SS.*Hα-helixtrans-59.6-42.8173.8-179.750.7000112.1N153 S307 K313 S314 V315N153-H311 PolarHBondContact OD1-CE1 2.85Å; S307-H311 VanDerWaalsContact O-CB 3.26Å; S307-H311 WeakPolarHBondContact O-CB 3.27Å; S307-H311 PolarHBondContact O-N 2.84Å; H311-K313 VanDerWaalsContact C-N 3.3Å; H311-K313 PolarHBondContact O-N 3.28Å; H311-S314 PolarHBondContact O-N 2.94Å; H311-V315 WeakPolarHBondContact O-CG2 3.32Å; H311-V315 PolarHBondContact O-N 3.44Å
312Q36.2Very low41.2Very low119 Ų11995.6 Ų95.656%0.55653%0.526SS*.Hα-helixtrans-66.3-27.3173.4-78-171.10.400114.1Q308 E310 K316Q308-Q312 WeakPolarHBondContact O-CB 3.37Å; Q308-Q312 WeakPolarHBondContact O-CG 3.27Å; Q308-Q312 PolarHBondContact O-N 3.26Å; Q308-Q312 VanDerWaalsContact O-N 3.08Å; E310-Q312 PolarHBondContact O-N 2.68Å; Q312-K316 WeakPolarHBondContact O-CB 3.39Å; Q312-K316 WeakPolarHBondContact O-CG 3.25Å; Q312-K316 PolarHBondContact O-N 3.36Å; Q312-K316 VanDerWaalsContact O-N 3.13Å
313K39Very low41.7Very low138 Ų13895.8 Ų95.860%0.651%0.512SS*.Hα-helixtrans-71.3-43.7171.1-76167.1179.6175.70111V309 E310 H311 K316 A317V309-K313 HydrophobicContact CG1-CD 4.36Å; V309-K313 VanDerWaalsContact O-CG 3.29Å; V309-K313 WeakPolarHBondContact O-CG 3.35Å; V309-K313 PolarHBondContact O-N 3.4Å; E310-K313 WeakPolarHBondContact O-CA 3.35Å; E310-K313 WeakPolarHBondContact O-CB 3.34Å; E310-K313 PolarHBondContact O-N 3.1Å; H311-K313 VanDerWaalsContact C-N 3.3Å; H311-K313 PolarHBondContact O-N 3.28Å; K313-K316 PolarHBondContact O-N 2.83Å; K313-A317 WeakPolarHBondContact O-CB 3.43Å; K313-A317 PolarHBondContact O-N 2.85Å
314S41.9Very low42Very low56 Ų5694.6 Ų94.639%0.39250%0.501SS..Hα-helixtrans-58.9-52.2173.5-57.70000111E310 H311 K316 A317 E318E310-S314 PolarHBondContact O-N 2.84Å; E310-S314 PolarHBondContact O-OG 2.81Å; H311-S314 PolarHBondContact O-N 2.94Å; S314-K316 VanDerWaalsContact C-N 3.29Å; S314-K316 PolarHBondContact O-N 3.39Å; S314-A317 CarbonylContact O-C 3.58Å; S314-A317 WeakPolarHBondContact O-CA 3.5Å; S314-A317 WeakPolarHBondContact O-CB 3.36Å; S314-A317 PolarHBondContact O-N 2.96Å; S314-E318 WeakPolarHBondContact O-CB 3.09Å; S314-E318 VanDerWaalsContact O-CG 3.29Å; S314-E318 WeakPolarHBondContact O-CG 3.03Å; S314-E318 PolarHBondContact O-N 2.95Å
315V44.5Very low42.5Very low23 Ų2391.6 Ų91.614%0.13948%0.477CS..Hα-helixtrans-60.6-35.5-179.8173.30000112.3N153 H311 Q319N153-V315 VanDerWaalsContact OD1-CG2 3.3Å; N153-V315 WeakPolarHBondContact OD1-CG2 3.32Å; H311-V315 WeakPolarHBondContact O-CG2 3.32Å; H311-V315 PolarHBondContact O-N 3.44Å; V315-Q319 WeakPolarHBondContact O-CB 3.36Å; V315-Q319 VanDerWaalsContact O-CG 3.29Å; V315-Q319 WeakPolarHBondContact O-CG 3.25Å; V315-Q319 PolarHBondContact O-N 2.88Å
316K33.9Very low42.9Very low134 Ų13492.6 Ų92.658%0.58347%0.469SS*.Hα-helixtrans-72.9-38.6173.2-77.6-175.6176.9-177.20113.1Q312 K313 S314 E318 M320Q312-K316 WeakPolarHBondContact O-CB 3.39Å; Q312-K316 WeakPolarHBondContact O-CG 3.25Å; Q312-K316 PolarHBondContact O-N 3.36Å; Q312-K316 VanDerWaalsContact O-N 3.13Å; K313-K316 PolarHBondContact O-N 2.83Å; S314-K316 VanDerWaalsContact C-N 3.29Å; S314-K316 PolarHBondContact O-N 3.39Å; K316-E318 VanDerWaalsContact C-N 3.3Å; K316-M320 WeakPolarHBondContact O-CB 3.44Å; K316-M320 WeakPolarHBondContact O-CG 3.38Å; K316-M320 PolarHBondContact O-N 3.47Å
317A38.6Very low42.8Very low59 Ų5993 Ų9349%0.48847%0.467SS..Hα-helixtrans-64.1-38173.400000111.1K313 S314 M320 Y321K313-A317 WeakPolarHBondContact O-CB 3.43Å; K313-A317 PolarHBondContact O-N 2.85Å; S314-A317 CarbonylContact O-C 3.58Å; S314-A317 WeakPolarHBondContact O-CA 3.5Å; S314-A317 WeakPolarHBondContact O-CB 3.36Å; S314-A317 PolarHBondContact O-N 2.96Å; A317-M320 CarbonylContact O-C 3.51Å; A317-M320 PolarHBondContact O-N 2.97Å; A317-Y321 WeakPolarHBondContact O-CB 3.26Å; A317-Y321 PolarHBondContact O-N 3.38Å
318E45.3Very low42.9Very low75 Ų7591.8 Ų91.835%0.3546%0.456SS..Hα-helixtrans-72-40.2176.8-73161.7-167.500112.3S314 K316 M320 Y321 D322S314-E318 WeakPolarHBondContact O-CB 3.09Å; S314-E318 VanDerWaalsContact O-CG 3.29Å; S314-E318 WeakPolarHBondContact O-CG 3.03Å; S314-E318 PolarHBondContact O-N 2.95Å; K316-E318 VanDerWaalsContact C-N 3.3Å; E318-M320 VanDerWaalsContact C-N 3.31Å; E318-M320 PolarHBondContact O-N 2.89Å; E318-Y321 CarbonylContact O-C 3.17Å; E318-Y321 WeakPolarHBondContact O-CA 3.25Å; E318-Y321 WeakPolarHBondContact O-CB 3.29Å; E318-Y321 PolarHBondContact O-N 3.33Å; E318-D322 PolarHBondContact O-N 3.49Å
319Q44.8Very low43.5Very low119 Ų11986.9 Ų86.956%0.55643%0.433SS*.Hα-helixtrans-63-38.2170.1-77.7176.1-11.200111.9V315 Y321 H323V315-Q319 WeakPolarHBondContact O-CB 3.36Å; V315-Q319 VanDerWaalsContact O-CG 3.29Å; V315-Q319 WeakPolarHBondContact O-CG 3.25Å; V315-Q319 PolarHBondContact O-N 2.88Å; Q319-Y321 VanDerWaalsContact C-N 3.34Å; Q319-H323 VanDerWaalsContact O-CB 3.29Å; Q319-H323 WeakPolarHBondContact O-CB 3.34Å; Q319-H323 PolarHBondContact O-N 2.99Å
320M37.1Very low43.6Very low136 Ų13688.4 Ų88.467%0.6744%0.439SS*.Hα-helixtrans-68.8-31.6170-72.5179.2174.500112.3K316 A317 E318 T324K316-M320 WeakPolarHBondContact O-CB 3.44Å; K316-M320 WeakPolarHBondContact O-CG 3.38Å; K316-M320 PolarHBondContact O-N 3.47Å; A317-M320 CarbonylContact O-C 3.51Å; A317-M320 PolarHBondContact O-N 2.97Å; E318-M320 VanDerWaalsContact C-N 3.31Å; E318-M320 PolarHBondContact O-N 2.89Å; M320-T324 WeakPolarHBondContact O-CB 3.44Å; M320-T324 WeakPolarHBondContact O-CG2 3.31Å; M320-T324 PolarHBondContact O-N 3.47Å; M320-T324 PolarHBondContact O-OG1 2.92Å
321Y44.8Very low43.4Very low122 Ų12288.9 Ų88.948%0.47844%0.444SS..Hα-helixtrans-71.1-46.4176-147.5-94.5000111.5A317 E318 Q319 H323 T324 L325A317-Y321 WeakPolarHBondContact O-CB 3.26Å; A317-Y321 PolarHBondContact O-N 3.38Å; E318-Y321 CarbonylContact O-C 3.17Å; E318-Y321 WeakPolarHBondContact O-CA 3.25Å; E318-Y321 WeakPolarHBondContact O-CB 3.29Å; E318-Y321 PolarHBondContact O-N 3.33Å; Q319-Y321 VanDerWaalsContact C-N 3.34Å; Y321-H323 VanDerWaalsContact C-N 3.35Å; Y321-H323 PolarHBondContact O-N 3.47Å; Y321-T324 WeakPolarHBondContact CA-OG1 3.37Å; Y321-T324 PolarHBondContact O-N 2.76Å; Y321-T324 PolarHBondContact O-OG1 3.49Å; Y321-L325 HydrophobicContact CD1-CD1 4.07Å; Y321-L325 HydrophobicContact CE1-CD1 4.08Å; Y321-L325 WeakPolarHBondContact O-CB 3.35Å; Y321-L325 PolarHBondContact O-N 2.84Å
322D49.9Very low43.2Very low56 Ų5692.6 Ų92.630%0.29946%0.456SS..Hα-helixtrans-55.2-49.7170.4-77.1-33.8000110.8R130 E318 T324 L325 Y326R130-D322 IonicContact CZ-OD2 3.14Å; R130-D322 VanDerWaalsContact NH1-CG 3.31Å; R130-D322 IonicContact NH1-OD1 3.74Å; R130-D322 IonicContact NH1-OD2 2.71Å; R130-D322 PolarHBondContact NH1-OD2 3.03Å; R130-D322 IonicContact NH2-OD2 2.75Å; R130-D322 PolarHBondContact NH2-OD2 3.47Å; E318-D322 PolarHBondContact O-N 3.49Å; D322-T324 VanDerWaalsContact C-N 3.34Å; D322-T324 PolarHBondContact O-N 2.89Å; D322-L325 PolarHBondContact O-N 3.48Å; D322-Y326 WeakPolarHBondContact O-CB 3.35Å; D322-Y326 PolarHBondContact O-N 3.11Å
323H45.2Very low43.5Very low129 Ų12991.6 Ų91.660%0.59745%0.451SS*.Hα-helixtrans-65.4-35179.3-172.6-67.4000112.2Q319 Y321 S327Q319-H323 VanDerWaalsContact O-CB 3.29Å; Q319-H323 WeakPolarHBondContact O-CB 3.34Å; Q319-H323 PolarHBondContact O-N 2.99Å; Y321-H323 VanDerWaalsContact C-N 3.35Å; Y321-H323 PolarHBondContact O-N 3.47Å; H323-S327 WeakPolarHBondContact O-CB 3.1Å; H323-S327 PolarHBondContact O-N 3.39Å
324T43.2Very low43.2Very low72 Ų7288.1 Ų88.144%0.44246%0.455SS..Hα-helixtrans-80.1-30.5176.847.60000112.9M320 Y321 D322 T328M320-T324 WeakPolarHBondContact O-CB 3.44Å; M320-T324 WeakPolarHBondContact O-CG2 3.31Å; M320-T324 PolarHBondContact O-N 3.47Å; M320-T324 PolarHBondContact O-OG1 2.92Å; Y321-T324 WeakPolarHBondContact CA-OG1 3.37Å; Y321-T324 PolarHBondContact O-N 2.76Å; Y321-T324 PolarHBondContact O-OG1 3.49Å; D322-T324 VanDerWaalsContact C-N 3.34Å; D322-T324 PolarHBondContact O-N 2.89Å; T324-T328 VanDerWaalsContact O-CB 3.31Å; T324-T328 WeakPolarHBondContact O-CB 3.5Å; T324-T328 WeakPolarHBondContact O-CG2 3.41Å; T324-T328 PolarHBondContact O-N 3.13Å; T324-T328 PolarHBondContact O-OG1 2.88Å
325L54.3Low42.8Very low41 Ų4195.6 Ų95.622%0.21550%0.504CS..Hα-helixtrans-62-54.6167-112.3166.3000109.8Y53 Y321 D322 S327 T328 M329Y53-L325 HydrophobicContact CD1-CD2 4.03Å; Y53-L325 HydrophobicContact CE1-CD2 3.67Å; Y321-L325 HydrophobicContact CD1-CD1 4.07Å; Y321-L325 HydrophobicContact CE1-CD1 4.08Å; Y321-L325 WeakPolarHBondContact O-CB 3.35Å; Y321-L325 PolarHBondContact O-N 2.84Å; D322-L325 PolarHBondContact O-N 3.48Å; L325-S327 PolarHBondContact O-N 3.08Å; L325-T328 PolarHBondContact O-N 3.49Å; L325-T328 PolarHBondContact O-OG1 3.42Å; L325-M329 HydrophobicContact CD2-CG 4.14Å; L325-M329 VanDerWaalsContact O-CB 3.25Å; L325-M329 WeakPolarHBondContact O-CB 3.42Å; L325-M329 WeakPolarHBondContact O-CG 3.1Å; L325-M329 PolarHBondContact O-N 3.05Å
326Y46.2Very low42.8Very low132 Ų13299.2 Ų99.252%0.51852%0.523SS..Hα-helixtrans-57.8-46.4178.1-175.5-106.6000111.9D322 L330D322-Y326 WeakPolarHBondContact O-CB 3.35Å; D322-Y326 PolarHBondContact O-N 3.11Å; Y326-L330 HydrophobicContact CD1-CD1 3.85Å; Y326-L330 HydrophobicContact CE1-CD1 3.46Å; Y326-L330 VanDerWaalsContact CE1-CD1 3.46Å; Y326-L330 HydrophobicContact CE2-CD1 4.34Å; Y326-L330 HydrophobicContact CG-CD1 4.44Å; Y326-L330 WeakPolarHBondContact O-CB 3.4Å; Y326-L330 WeakPolarHBondContact O-CG 3.21Å; Y326-L330 PolarHBondContact O-N 2.87Å
327S36.7Very low43.2Very low46 Ų4697.4 Ų97.432%0.32252%0.52SS..Hα-helixtrans-71-36.3179.9-1750000113.5H323 L325 L331H323-S327 WeakPolarHBondContact O-CB 3.1Å; H323-S327 PolarHBondContact O-N 3.39Å; L325-S327 PolarHBondContact O-N 3.08Å; S327-L331 WeakPolarHBondContact O-CB 3.29Å; S327-L331 WeakPolarHBondContact O-CD1 3.39Å; S327-L331 WeakPolarHBondContact O-CG 3.33Å; S327-L331 PolarHBondContact O-N 3.18Å
328T47.2Very low43.5Very low56 Ų5699.5 Ų99.534%0.34452%0.521SS..Hα-helixtrans-72.9-38.9173.9520000111.8T324 L325 L330 L331 Y332T324-T328 VanDerWaalsContact O-CB 3.31Å; T324-T328 WeakPolarHBondContact O-CB 3.5Å; T324-T328 WeakPolarHBondContact O-CG2 3.41Å; T324-T328 PolarHBondContact O-N 3.13Å; T324-T328 PolarHBondContact O-OG1 2.88Å; L325-T328 PolarHBondContact O-N 3.49Å; L325-T328 PolarHBondContact O-OG1 3.42Å; T328-L330 VanDerWaalsContact C-N 3.35Å; T328-L330 PolarHBondContact O-N 2.91Å; T328-L331 CarbonylContact O-C 3.59Å; T328-L331 PolarHBondContact O-N 3.27Å; T328-L331 VanDerWaalsContact O-N 3.11Å; T328-Y332 WeakPolarHBondContact O-CD2 3.47Å; T328-Y332 PolarHBondContact O-N 3.38Å
329M52.8Low43.4Very low28 Ų28100.9 Ų100.914%0.13853%0.531CS..Hα-helixtrans-63.1-40.4175.5-67.7-72.1-82.900111.4Y53 H63 F64 L325 Y332 H333Y53-M329 PolarHBondContact OH-SD 3.2Å; H63-M329 WeakPolarHBondContact CE1-CE 3.4Å; F64-M329 HydrophobicContact CZ-CE 4.43Å; L325-M329 HydrophobicContact CD2-CG 4.14Å; L325-M329 VanDerWaalsContact O-CB 3.25Å; L325-M329 WeakPolarHBondContact O-CB 3.42Å; L325-M329 WeakPolarHBondContact O-CG 3.1Å; L325-M329 PolarHBondContact O-N 3.05Å; M329-Y332 PolarHBondContact O-N 3.45Å; M329-H333 WeakPolarHBondContact O-CB 3.3Å; M329-H333 PolarHBondContact O-N 2.94Å
330L46.5Very low43.3Very low99 Ų9999.8 Ų99.852%0.51853%0.53SS..Hα-helixtrans-64-38.6169.9-77171.3000113.1Y326 T328 Y332 H333Y326-L330 HydrophobicContact CD1-CD1 3.85Å; Y326-L330 HydrophobicContact CE1-CD1 3.46Å; Y326-L330 VanDerWaalsContact CE1-CD1 3.46Å; Y326-L330 HydrophobicContact CE2-CD1 4.34Å; Y326-L330 HydrophobicContact CG-CD1 4.44Å; Y326-L330 WeakPolarHBondContact O-CB 3.4Å; Y326-L330 WeakPolarHBondContact O-CG 3.21Å; Y326-L330 PolarHBondContact O-N 2.87Å; T328-L330 VanDerWaalsContact C-N 3.35Å; T328-L330 PolarHBondContact O-N 2.91Å; L330-Y332 VanDerWaalsContact C-N 3.32Å; L330-Y332 PolarHBondContact O-N 3.11Å; L330-H333 CarbonylContact O-C 3.52Å; L330-H333 PolarHBondContact O-N 2.85Å
331L39.4Very low43.7Very low136 Ų13697.4 Ų97.471%0.71252%0.521SS*.Hα-helixtrans-69.3-26.9176.9-77.4165.3000113.3S327 T328S327-L331 WeakPolarHBondContact O-CB 3.29Å; S327-L331 WeakPolarHBondContact O-CD1 3.39Å; S327-L331 WeakPolarHBondContact O-CG 3.33Å; S327-L331 PolarHBondContact O-N 3.18Å; T328-L331 CarbonylContact O-C 3.59Å; T328-L331 PolarHBondContact O-N 3.27Å; T328-L331 VanDerWaalsContact O-N 3.11Å
332Y38.8Very low43.6Very low168 Ų16895.6 Ų95.666%0.65952%0.524SS*.Hα-helixtrans-92.4-16176.3-72.2-59.6000114.1T328 M329 L330T328-Y332 WeakPolarHBondContact O-CD2 3.47Å; T328-Y332 PolarHBondContact O-N 3.38Å; M329-Y332 PolarHBondContact O-N 3.45Å; L330-Y332 VanDerWaalsContact C-N 3.32Å; L330-Y332 PolarHBondContact O-N 3.11Å
333H44.4Very low43.1Very low98 Ų9898.7 Ų98.745%0.45454%0.541SS..SBendtrans-125.674.1179.4-63.4-17.1000110.5F64 M329 L330F64-H333 AromaticContact CE1-NE2 3.5Å; F64-H333 WeakPolarHBondContact CE1-NE2 3.4Å; F64-H333 AromaticContact CZ-NE2 3.71Å; M329-H333 WeakPolarHBondContact O-CB 3.3Å; M329-H333 PolarHBondContact O-N 2.94Å; L330-H333 CarbonylContact O-C 3.52Å; L330-H333 PolarHBondContact O-N 2.85Å
334G32.4Very low43Very low66 Ų6696.2 Ų96.268%0.6854%0.536SS*.  trans-66.3162.5169.700000113.2
335C33.7Very low42.9Very low212 Ų21298.4 Ų98.4100%1.43255%0.545SS*.  trans-50.10-171.1-48.20000116.4

Retrieved 335 of 335 residues in 625.6 ms (Link to these results)

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