A0A096MR65_PAPAN Loading...

Lymphocyte cytosolic protein 1

AlphaFold DB , UniProt , Accession A0A096MR65, Species PAPAN (Papio anubis, Olive baboon), Gene LCP1, Length 627 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
1M39.1Very low52.1Low253 Ų253120.5 Ų120.5100%1.24667%0.672SS**  0118.70-73179.1-172.400107.9
2A28.3Very low53.2Low102 Ų102120.2 Ų120.284%0.84366%0.663SS**  trans-140.6102.5163.100000105.8G4A2-G4 PolarHBondContact O-N 3.32Å
3R38.2Very low54.4Low252 Ų252121 Ų12195%0.95166%0.659SS**  trans-72.4109.3166.7-83.4179.8172.5176.2-3.8105.7S5R3-S5 PolarHBondContact O-N 3.17Å
4G42.6Very low55.8Low74 Ų74112.4 Ų112.476%0.76361%0.613SS**PPolyproline II helixtrans-64120.1166.100000107.9A2 V6A2-G4 PolarHBondContact O-N 3.32Å; G4-V6 PolarHBondContact O-N 3.24Å
5S49.9Very low57.2Low115 Ų115114.4 Ų114.480%0.80461%0.608SS**PPolyproline II helixtrans-70.5122171.950.20000108.8R3R3-S5 PolarHBondContact O-N 3.17Å
6V59.3Low58.2Low44 Ų44113.6 Ų113.627%0.26760%0.599SS.*PPolyproline II helixtrans-56.3133.5167.5-179.50000108.1G4 E10 M11 L14G4-V6 PolarHBondContact O-N 3.24Å; V6-E10 HydrophobicContact CG1-CB 3.86Å; V6-E10 HydrophobicContact CG1-CG 3.87Å; V6-M11 HydrophobicContact CB-CE 4.19Å; V6-M11 HydrophobicContact CG1-CB 4.26Å; V6-M11 HydrophobicContact CG1-CE 4.17Å; V6-L14 HydrophobicContact CG1-CD1 4.15Å
7S69.3Low59.2Low56 Ų56107.4 Ų107.439%0.39257%0.568SS.*PPolyproline II helixtrans-71.9158.5178.371.10000111.2E9 E10 M11S7-E9 PolarHBondContact O-N 3.41Å; S7-E10 PolarHBondContact O-N 2.8Å; S7-E10 WeakPolarHBondContact OG-CB 3.38Å; S7-E10 PolarHBondContact OG-N 2.92Å; S7-M11 WeakPolarHBondContact O-CB 3.36Å; S7-M11 PolarHBondContact O-N 2.91Å
8D60.5Low60.4Low149 Ų149102.1 Ų102.180%0.79754%0.539SS*.Hα-helixtrans-62.2-32.9179.3-68.6-30.8000112.3M12D8-M12 PolarHBondContact O-N 3.09Å; D8-M12 VanDerWaalsContact O-N 3.08Å
9E53.8Low61.3Low153 Ų153100.2 Ų100.272%0.71554%0.539SS*.Hα-helixtrans-67.4-45.7174.6-69.1167.717500111.5S7 M11 M12 E13S7-E9 PolarHBondContact O-N 3.41Å; E9-M11 VanDerWaalsContact C-N 3.32Å; E9-M11 PolarHBondContact O-N 3.15Å; E9-M12 WeakPolarHBondContact O-CB 3.5Å; E9-M12 PolarHBondContact O-N 3.4Å; E9-M12 VanDerWaalsContact O-N 3.15Å; E9-E13 PolarHBondContact O-N 2.83Å
10E63.1Low61.8Low72 Ų7298.6 Ų98.634%0.33653%0.527SS..Hα-helixtrans-66.8-35.3177.7-171.9174.3-15400111.4V6 S7 M12 E13 L14 H79V6-E10 HydrophobicContact CG1-CB 3.86Å; V6-E10 HydrophobicContact CG1-CG 3.87Å; S7-E10 PolarHBondContact O-N 2.8Å; S7-E10 WeakPolarHBondContact OG-CB 3.38Å; S7-E10 PolarHBondContact OG-N 2.92Å; E10-M12 VanDerWaalsContact C-N 3.32Å; E10-M12 PolarHBondContact O-N 3.44Å; E10-E13 PolarHBondContact O-N 2.68Å; E10-L14 HydrophobicContact CG-CD1 4.3Å; E10-L14 WeakPolarHBondContact O-CB 3.5Å; E10-L14 WeakPolarHBondContact O-CD1 3.49Å; E10-L14 WeakPolarHBondContact O-CG 3.37Å; E10-L14 PolarHBondContact O-N 2.67Å; E10-H79 IonicContact OE1-CE1 2.93Å; E10-H79 PolarHBondContact OE1-CE1 3.12Å; E10-H79 VanDerWaalsContact OE1-CE1 3.26Å
11M69.1Low62.6Low56 Ų5693.9 Ų93.928%0.27650%0.502SS..Hα-helixtrans-65.4-35.2173.4-169.96974.600112V6 S7 E9 R15 F71 I75V6-M11 HydrophobicContact CB-CE 4.19Å; V6-M11 HydrophobicContact CG1-CB 4.26Å; V6-M11 HydrophobicContact CG1-CE 4.17Å; S7-M11 WeakPolarHBondContact O-CB 3.36Å; S7-M11 PolarHBondContact O-N 2.91Å; E9-M11 VanDerWaalsContact C-N 3.32Å; E9-M11 PolarHBondContact O-N 3.15Å; M11-R15 WeakPolarHBondContact O-CG 3.15Å; M11-R15 PolarHBondContact O-N 3.21Å; M11-R15 VanDerWaalsContact O-N 3.11Å; M11-F71 HydrophobicContact SD-CE1 4.23Å; M11-F71 HydrophobicContact SD-CZ 4.29Å; M11-I75 HydrophobicContact SD-CD1 4.07Å
12M65.5Low64.7Low116 Ų11682.6 Ų82.657%0.57145%0.447SS*.Hα-helixtrans-68.5-45.5176-162.4175.682.400111.1D8 E9 E10 L14 R15 E16D8-M12 PolarHBondContact O-N 3.09Å; D8-M12 VanDerWaalsContact O-N 3.08Å; E9-M12 WeakPolarHBondContact O-CB 3.5Å; E9-M12 PolarHBondContact O-N 3.4Å; E9-M12 VanDerWaalsContact O-N 3.15Å; E10-M12 VanDerWaalsContact C-N 3.32Å; E10-M12 PolarHBondContact O-N 3.44Å; M12-L14 VanDerWaalsContact C-N 3.32Å; M12-L14 PolarHBondContact O-N 3.45Å; M12-R15 PolarHBondContact O-N 2.9Å; M12-E16 PolarHBondContact O-N 3.22Å
13E68.7Low66.6Low131 Ų13180.2 Ų80.261%0.61242%0.422SS*.Hα-helixtrans-59.4-41.3175-70.3-178.8-178.600112.3E9 E10 E16 A17E9-E13 PolarHBondContact O-N 2.83Å; E10-E13 PolarHBondContact O-N 2.68Å; E13-E16 PolarHBondContact O-N 3.04Å; E13-A17 WeakPolarHBondContact O-CB 3.17Å; E13-A17 PolarHBondContact O-N 3.24Å
14L74.2Confident68.3Low1 Ų173.1 Ų73.11%0.00540%0.403CS..Hα-helixtrans-65.1-39177.3-74.3165.6000112.2V6 E10 M12 A17 F18 F71 F74 I75 F78V6-L14 HydrophobicContact CG1-CD1 4.15Å; E10-L14 HydrophobicContact CG-CD1 4.3Å; E10-L14 WeakPolarHBondContact O-CB 3.5Å; E10-L14 WeakPolarHBondContact O-CD1 3.49Å; E10-L14 WeakPolarHBondContact O-CG 3.37Å; E10-L14 PolarHBondContact O-N 2.67Å; M12-L14 VanDerWaalsContact C-N 3.32Å; M12-L14 PolarHBondContact O-N 3.45Å; L14-A17 PolarHBondContact O-N 2.97Å; L14-F18 WeakPolarHBondContact O-CB 3.16Å; L14-F18 PolarHBondContact O-N 3.4Å; L14-F71 HydrophobicContact CB-CZ 4.42Å; L14-F74 HydrophobicContact CD2-CE1 4.36Å; L14-I75 HydrophobicContact CD1-CG1 4.28Å; L14-F78 HydrophobicContact CD2-CB 3.75Å; L14-F78 HydrophobicContact CD2-CD1 3.3Å; L14-F78 HydrophobicContact CD2-CD2 4Å; L14-F78 HydrophobicContact CD2-CE1 3.76Å; L14-F78 HydrophobicContact CD2-CE2 4.4Å; L14-F78 HydrophobicContact CD2-CG 3.41Å; L14-F78 VanDerWaalsContact CD2-CG 3.41Å; L14-F78 HydrophobicContact CD2-CZ 4.29Å
15R76.6Confident70Confident142 Ų14272.5 Ų72.554%0.53640%0.396SS..Hα-helixtrans-66.1-43175.3-74.8-179.2-172.9-70.5-3.6111.9M11 M12 F18 A19 F71M11-R15 WeakPolarHBondContact O-CG 3.15Å; M11-R15 PolarHBondContact O-N 3.21Å; M11-R15 VanDerWaalsContact O-N 3.11Å; M12-R15 PolarHBondContact O-N 2.9Å; R15-F18 PolarHBondContact O-N 3.31Å; R15-A19 WeakPolarHBondContact O-CB 3.44Å; R15-A19 PolarHBondContact O-N 3.1Å; R15-F71 HydrophobicContact CB-CE2 4.36Å; R15-F71 HydrophobicContact CB-CZ 4.33Å; R15-F71 HydrophobicContact CG-CE1 4.05Å; R15-F71 HydrophobicContact CG-CE2 3.74Å; R15-F71 HydrophobicContact CG-CZ 3.3Å
16E73.4Confident71.3Confident101 Ų10170 Ų7047%0.47237%0.374SS..Hα-helixtrans-64.1-42.2175.3-72.7-176.6-175.200111.9M12 E13 A19 K20M12-E16 PolarHBondContact O-N 3.22Å; E13-E16 PolarHBondContact O-N 3.04Å; E16-A19 PolarHBondContact O-N 3.14Å; E16-K20 VanDerWaalsContact O-CG 3.24Å; E16-K20 WeakPolarHBondContact O-CG 3.09Å; E16-K20 PolarHBondContact O-N 3.07Å
17A74.9Confident72.4Confident8 Ų869.5 Ų69.57%0.06638%0.378CS..Hα-helixtrans-63.2-40.417600000112.1E13 L14 K20 V21 F74 I94E13-A17 WeakPolarHBondContact O-CB 3.17Å; E13-A17 PolarHBondContact O-N 3.24Å; L14-A17 PolarHBondContact O-N 2.97Å; A17-K20 PolarHBondContact O-N 2.76Å; A17-V21 WeakPolarHBondContact O-CG2 3.38Å; A17-F74 HydrophobicContact CB-CE1 4.1Å; A17-F74 HydrophobicContact CB-CZ 3.91Å; A17-I94 HydrophobicContact CB-CG2 4.08Å
18F79.9Confident73.1Confident13 Ų1371.5 Ų71.56%0.05738%0.377CS..Hα-helixtrans-64.9-49.1176.3-173.3-95000111.7L14 R15 K20 V21 D22 G27 I29 F71 F74L14-F18 WeakPolarHBondContact O-CB 3.16Å; L14-F18 PolarHBondContact O-N 3.4Å; R15-F18 PolarHBondContact O-N 3.31Å; F18-K20 PolarHBondContact O-N 3.01Å; F18-V21 PolarHBondContact O-N 2.86Å; F18-D22 HydrophobicContact CD1-CB 4.28Å; F18-D22 HydrophobicContact CE1-CB 4.05Å; F18-D22 PolarHBondContact O-N 2.69Å; F18-G27 WeakPolarHBondContact CZ-O 3.27Å; F18-I29 HydrophobicContact CD2-CD1 3.42Å; F18-I29 VanDerWaalsContact CD2-CD1 3.42Å; F18-I29 HydrophobicContact CD2-CG1 4.09Å; F18-I29 HydrophobicContact CE2-CD1 3.45Å; F18-I29 VanDerWaalsContact CE2-CD1 3.45Å; F18-I29 HydrophobicContact CE2-CG1 3.71Å; F18-I29 HydrophobicContact CG-CD1 4.22Å; F18-I29 HydrophobicContact CZ-CD1 4.26Å; F18-I29 HydrophobicContact CZ-CG1 4.05Å; F18-F71 HydrophobicContact CB-CD2 3.71Å; F18-F71 HydrophobicContact CB-CE2 3.9Å; F18-F71 AromaticContact CD1-CD2 3.98Å; F18-F71 HydrophobicContact CD1-CD2 3.98Å; F18-F71 HydrophobicContact CD2-CB 4.42Å; F18-F71 AromaticContact CD2-CD2 3.82Å; F18-F71 HydrophobicContact CD2-CD2 3.82Å; F18-F71 HydrophobicContact CE1-CB 4.34Å; F18-F71 HydrophobicContact CE2-CB 4.19Å; F18-F71 HydrophobicContact CE2-CD2 4.42Å; F18-F71 AromaticContact CG-CD2 3.56Å; F18-F71 HydrophobicContact CG-CD2 3.56Å; F18-F71 HydrophobicContact CG-CE2 4.28Å; F18-F71 HydrophobicContact CZ-CB 4.15Å; F18-F74 HydrophobicContact CB-CD1 4.06Å; F18-F74 HydrophobicContact CB-CE1 4.02Å; F18-F74 HydrophobicContact CB-CZ 4.43Å; F18-F74 HydrophobicContact CD2-CB 3.54Å; F18-F74 AromaticContact CD2-CD1 3.83Å; F18-F74 HydrophobicContact CD2-CD1 3.83Å; F18-F74 AromaticContact CD2-CD2 3.89Å; F18-F74 HydrophobicContact CD2-CD2 3.89Å; F18-F74 HydrophobicContact CD2-CE1 4.47Å; F18-F74 HydrophobicContact CD2-CE2 4.5Å; F18-F74 AromaticContact CD2-CG 3.51Å; F18-F74 HydrophobicContact CD2-CG 3.51Å; F18-F74 HydrophobicContact CE2-CB 3.81Å; F18-F74 HydrophobicContact CE2-CG 4.22Å; F18-F74 HydrophobicContact CG-CD1 4.45Å; F18-F74 HydrophobicContact CG-CG 4.5Å
19A77.4Confident74.3Confident65 Ų6564.4 Ų64.454%0.53734%0.34SS..Hα-helixtrans-62.9-24178.600000113.4R15 E16 V21R15-A19 WeakPolarHBondContact O-CB 3.44Å; R15-A19 PolarHBondContact O-N 3.1Å; E16-A19 PolarHBondContact O-N 3.14Å; A19-V21 VanDerWaalsContact C-N 3.31Å
20K73.2Confident75.7Confident68 Ų6858.4 Ų58.430%0.29631%0.314SS..Hα-helixtrans-70.5-27.5172.4-75.7168-1721760112.7E16 A17 F18 I94 K97E16-K20 VanDerWaalsContact O-CG 3.24Å; E16-K20 WeakPolarHBondContact O-CG 3.09Å; E16-K20 PolarHBondContact O-N 3.07Å; A17-K20 PolarHBondContact O-N 2.76Å; F18-K20 PolarHBondContact O-N 3.01Å; K20-I94 HydrophobicContact CD-CG2 4.19Å; K20-K97 WeakPolarHBondContact O-CE 3.45Å; K20-K97 PolarHBondContact O-NZ 2.85Å
21V78.4Confident76.4Confident0 Ų058.5 Ų58.50%031%0.314CS..Hα-helixtrans-96.6-39.6-176.8-1730000110.9A17 F18 A19 T23 I29 E33 L34 L37 I94A17-V21 WeakPolarHBondContact O-CG2 3.38Å; F18-V21 PolarHBondContact O-N 2.86Å; A19-V21 VanDerWaalsContact C-N 3.31Å; V21-T23 PolarHBondContact O-N 3.38Å; V21-I29 HydrophobicContact CB-CD1 3.71Å; V21-I29 HydrophobicContact CB-CG1 4.01Å; V21-I29 HydrophobicContact CG1-CB 4.36Å; V21-I29 HydrophobicContact CG1-CD1 3.8Å; V21-I29 HydrophobicContact CG1-CG1 3.89Å; V21-I29 HydrophobicContact CG1-CG2 3.57Å; V21-E33 WeakPolarHBondContact O-CB 3.32Å; V21-L34 HydrophobicContact CG1-CD2 4.12Å; V21-L37 HydrophobicContact CG1-CD2 4.14Å; V21-L37 HydrophobicContact CG2-CD1 4.2Å; V21-L37 HydrophobicContact CG2-CD2 3.77Å; V21-L37 HydrophobicContact CG2-CG 4.5Å; V21-I94 HydrophobicContact CG2-CD1 4.1Å; V21-I94 HydrophobicContact CG2-CG1 3.97Å
22D81.8Confident76.7Confident16 Ų1661 Ų619%0.08633%0.328CS..  trans-72.187.1170.9178.59.8000109.9F18 D24 G25 N26 G27 I29F18-D22 HydrophobicContact CD1-CB 4.28Å; F18-D22 HydrophobicContact CE1-CB 4.05Å; F18-D22 PolarHBondContact O-N 2.69Å; D22-D24 VanDerWaalsContact OD1-OD1 3.12Å; D22-G25 VanDerWaalsContact OD1-CA 3.3Å; D22-G25 WeakPolarHBondContact OD1-CA 3.46Å; D22-G25 PolarHBondContact OD1-N 3.47Å; D22-N26 PolarHBondContact OD1-N 2.91Å; D22-N26 VanDerWaalsContact OD1-N 3.12Å; D22-G27 VanDerWaalsContact OD2-CA 3.24Å; D22-G27 WeakPolarHBondContact OD2-CA 3.36Å; D22-G27 PolarHBondContact OD2-N 3.15Å; D22-I29 HydrophobicContact CB-CG1 4.23Å
23T69.6Low77.5Confident52 Ų5255.8 Ų55.832%0.31930%0.302SS..SBendtrans-83.8-24.1-171.455.10000113.5V21 E33V21-T23 PolarHBondContact O-N 3.38Å; T23-E33 PolarHBondContact N-OE1 3.31Å; T23-E33 PolarHBondContact OG1-OE1 2.85Å
24D73.8Confident77.9Confident104 Ų10449.6 Ų49.656%0.55627%0.274SS*.SBendtrans-91.4-7.4174.873.25.6000112.7D22 N26 E33D22-D24 VanDerWaalsContact OD1-OD1 3.12Å; D24-N26 VanDerWaalsContact C-N 3.26Å; D24-N26 PolarHBondContact O-N 2.7Å; D24-N26 WeakPolarHBondContact OD1-CB 3.22Å; D24-N26 PolarHBondContact OD1-N 3.5Å; D24-N26 PolarHBondContact OD1-ND2 3.09Å; D24-N26 PolarHBondContact OD2-ND2 3.47Å; D24-E33 PolarHBondContact N-OE1 2.84Å
25G76.8Confident77.9Confident60 Ų6051.1 Ų51.162%0.61928%0.282SS*.  trans70.722.217400000112.9D22 G27D22-G25 VanDerWaalsContact OD1-CA 3.3Å; D22-G25 WeakPolarHBondContact OD1-CA 3.46Å; D22-G25 PolarHBondContact OD1-N 3.47Å; G25-G27 PolarHBondContact O-N 2.9Å
26N77.5Confident77.9Confident62 Ų6246.5 Ų46.533%0.33227%0.267SS..SBendtrans-79.4-5.1-175.37631.8000112.9D22 D24 Y28D22-N26 PolarHBondContact OD1-N 2.91Å; D22-N26 VanDerWaalsContact OD1-N 3.12Å; D24-N26 VanDerWaalsContact C-N 3.26Å; D24-N26 PolarHBondContact O-N 2.7Å; D24-N26 WeakPolarHBondContact OD1-CB 3.22Å; D24-N26 PolarHBondContact OD1-N 3.5Å; D24-N26 PolarHBondContact OD1-ND2 3.09Å; D24-N26 PolarHBondContact OD2-ND2 3.47Å; N26-Y28 WeakPolarHBondContact O-CD2 3.45Å; N26-Y28 WeakPolarHBondContact OD1-CA 3.37Å; N26-Y28 VanDerWaalsContact OD1-CB 3.29Å; N26-Y28 WeakPolarHBondContact OD1-CB 3.41Å; N26-Y28 PolarHBondContact OD1-N 3.36Å; N26-Y28 PolarHBondContact OD1-O 3.08Å
27G82.2Confident78.1Confident34 Ų3441.7 Ų41.735%0.35125%0.245SC..SBendtrans89.65.6-179.800000114.4F18 D22 G25F18-G27 WeakPolarHBondContact CZ-O 3.27Å; D22-G27 VanDerWaalsContact OD2-CA 3.24Å; D22-G27 WeakPolarHBondContact OD2-CA 3.36Å; D22-G27 PolarHBondContact OD2-N 3.15Å; G25-G27 PolarHBondContact O-N 2.9Å
28Y85.6Confident77.9Confident98 Ų9841.6 Ų41.638%0.38424%0.243SC..EExtended strand (participates in β ladder)trans-138.8141.6-177.8-57.9-95.4000110.7N26 R68 I69N26-Y28 WeakPolarHBondContact O-CD2 3.45Å; N26-Y28 WeakPolarHBondContact OD1-CA 3.37Å; N26-Y28 VanDerWaalsContact OD1-CB 3.29Å; N26-Y28 WeakPolarHBondContact OD1-CB 3.41Å; N26-Y28 PolarHBondContact OD1-N 3.36Å; N26-Y28 PolarHBondContact OD1-O 3.08Å; Y28-R68 HydrophobicContact CD1-CB 4.36Å; Y28-I69 WeakPolarHBondContact CA-O 3.5Å
29I84Confident77.3Confident1 Ų146.7 Ų46.71%0.00527%0.265CS..EExtended strand (participates in β ladder)trans-93.6121.7173.9-66.7165.2000109.5F18 V21 D22 E33 L34 I69 F74F18-I29 HydrophobicContact CD2-CD1 3.42Å; F18-I29 VanDerWaalsContact CD2-CD1 3.42Å; F18-I29 HydrophobicContact CD2-CG1 4.09Å; F18-I29 HydrophobicContact CE2-CD1 3.45Å; F18-I29 VanDerWaalsContact CE2-CD1 3.45Å; F18-I29 HydrophobicContact CE2-CG1 3.71Å; F18-I29 HydrophobicContact CG-CD1 4.22Å; F18-I29 HydrophobicContact CZ-CD1 4.26Å; F18-I29 HydrophobicContact CZ-CG1 4.05Å; V21-I29 HydrophobicContact CB-CD1 3.71Å; V21-I29 HydrophobicContact CB-CG1 4.01Å; V21-I29 HydrophobicContact CG1-CB 4.36Å; V21-I29 HydrophobicContact CG1-CD1 3.8Å; V21-I29 HydrophobicContact CG1-CG1 3.89Å; V21-I29 HydrophobicContact CG1-CG2 3.57Å; D22-I29 HydrophobicContact CB-CG1 4.23Å; I29-E33 HydrophobicContact CG2-CB 4.47Å; I29-L34 HydrophobicContact CG2-CD1 4.41Å; I29-L34 HydrophobicContact CG2-CD2 3.72Å; I29-L34 HydrophobicContact CG2-CG 3.64Å; I29-I69 HydrophobicContact CB-CB 4.2Å; I29-I69 PolarHBondContact N-O 3.02Å; I29-I69 PolarHBondContact O-N 3.23Å; I29-F74 HydrophobicContact CD1-CD2 3.55Å; I29-F74 HydrophobicContact CD1-CE2 3.87Å; I29-F74 HydrophobicContact CD1-CG 4.36Å
30S83.8Confident76.5Confident26 Ų2644.7 Ų44.718%0.18225%0.249CC..EExtended strand (participates in β ladder)trans-90.9163.7176.668.30000113.4N32 E33 L34S30-N32 PolarHBondContact O-N 3.22Å; S30-E33 WeakPolarHBondContact CB-OE2 3.37Å; S30-E33 PolarHBondContact N-OE2 3.49Å; S30-E33 PolarHBondContact O-N 3.04Å; S30-E33 VanDerWaalsContact O-N 3.14Å; S30-E33 VanDerWaalsContact OG-CG 3.31Å; S30-E33 WeakPolarHBondContact OG-CG 3.34Å; S30-E33 PolarHBondContact OG-N 2.77Å; S30-E33 PolarHBondContact OG-OE2 2.76Å; S30-L34 PolarHBondContact O-N 3.21Å; S30-L34 VanDerWaalsContact O-N 3.08Å
31F77.4Confident75.9Confident75 Ų7541.6 Ų41.633%0.32924%0.236SC..Hα-helixtrans-54.5-37.9172.7-179.8-89.2000112.9N35 T54 E55 M58F31-N35 WeakPolarHBondContact O-CB 3.49Å; F31-N35 PolarHBondContact O-N 2.58Å; F31-N35 VanDerWaalsContact O-N 3.08Å; F31-T54 HydrophobicContact CD2-CG2 3.4Å; F31-T54 VanDerWaalsContact CD2-CG2 3.4Å; F31-T54 HydrophobicContact CE2-CG2 3.37Å; F31-T54 HydrophobicContact CG-CG2 4.08Å; F31-T54 HydrophobicContact CZ-CG2 4.02Å; F31-E55 HydrophobicContact CE2-CG 4.15Å; F31-M58 HydrophobicContact CD2-CG 4.12Å
32N77.1Confident74.7Confident107 Ų10746.5 Ų46.557%0.57227%0.269SS*.Hα-helixtrans-67.7-41.1179.4-70.8-28.3000111.2S30 N35 D36S30-N32 PolarHBondContact O-N 3.22Å; N32-N35 WeakPolarHBondContact O-CB 3.25Å; N32-N35 PolarHBondContact O-N 3.28Å; N32-D36 WeakPolarHBondContact O-CB 3.21Å; N32-D36 PolarHBondContact O-N 3.07Å
33E81.2Confident73.6Confident8 Ų846.7 Ų46.74%0.03727%0.27CS..Hα-helixtrans-68.7-35.2179.5-72.3170.6126.500113.1V21 T23 D24 I29 S30 D36 L37V21-E33 WeakPolarHBondContact O-CB 3.32Å; T23-E33 PolarHBondContact N-OE1 3.31Å; T23-E33 PolarHBondContact OG1-OE1 2.85Å; D24-E33 PolarHBondContact N-OE1 2.84Å; I29-E33 HydrophobicContact CG2-CB 4.47Å; S30-E33 WeakPolarHBondContact CB-OE2 3.37Å; S30-E33 PolarHBondContact N-OE2 3.49Å; S30-E33 PolarHBondContact O-N 3.04Å; S30-E33 VanDerWaalsContact O-N 3.14Å; S30-E33 VanDerWaalsContact OG-CG 3.31Å; S30-E33 WeakPolarHBondContact OG-CG 3.34Å; S30-E33 PolarHBondContact OG-N 2.77Å; S30-E33 PolarHBondContact OG-OE2 2.76Å; E33-D36 PolarHBondContact O-N 3.14Å; E33-L37 VanDerWaalsContact O-CB 3.3Å; E33-L37 WeakPolarHBondContact O-CB 3.38Å; E33-L37 PolarHBondContact O-N 3.24Å
34L77.7Confident72.7Confident1 Ų150.2 Ų50.21%0.00529%0.294CS..Hα-helixtrans-64-44.5169.5-71.5177.2000111.8V21 I29 S30 D36 L37 F38 T54 L57 M58 I69 F90V21-L34 HydrophobicContact CG1-CD2 4.12Å; I29-L34 HydrophobicContact CG2-CD1 4.41Å; I29-L34 HydrophobicContact CG2-CD2 3.72Å; I29-L34 HydrophobicContact CG2-CG 3.64Å; S30-L34 PolarHBondContact O-N 3.21Å; S30-L34 VanDerWaalsContact O-N 3.08Å; L34-D36 VanDerWaalsContact C-N 3.3Å; L34-D36 PolarHBondContact O-N 2.93Å; L34-L37 WeakPolarHBondContact O-CB 3.35Å; L34-L37 PolarHBondContact O-N 3.21Å; L34-F38 WeakPolarHBondContact O-CD2 3.35Å; L34-F38 PolarHBondContact O-N 2.93Å; L34-F38 VanDerWaalsContact O-N 3.16Å; L34-T54 HydrophobicContact CB-CG2 3.71Å; L34-T54 HydrophobicContact CD1-CG2 3.99Å; L34-L57 HydrophobicContact CD1-CB 4.41Å; L34-M58 HydrophobicContact CD1-CG 4.12Å; L34-M58 HydrophobicContact CD1-SD 3.71Å; L34-I69 HydrophobicContact CD1-CD1 3.89Å; L34-F90 HydrophobicContact CD2-CD2 4.4Å; L34-F90 HydrophobicContact CD2-CE2 3.41Å; L34-F90 VanDerWaalsContact CD2-CE2 3.41Å; L34-F90 HydrophobicContact CD2-CZ 3.89Å
35N74.7Confident71.9Confident33 Ų3347.9 Ų47.918%0.17628%0.281CS..Hα-helixtrans-62.2-41.3177.4-170.623.1000111.1F31 N32 F38 K39F31-N35 WeakPolarHBondContact O-CB 3.49Å; F31-N35 PolarHBondContact O-N 2.58Å; F31-N35 VanDerWaalsContact O-N 3.08Å; N32-N35 WeakPolarHBondContact O-CB 3.25Å; N32-N35 PolarHBondContact O-N 3.28Å; N35-F38 PolarHBondContact O-N 3.21Å; N35-K39 PolarHBondContact ND2-NZ 3.3Å; N35-K39 WeakPolarHBondContact O-CG 3.22Å; N35-K39 PolarHBondContact O-N 2.83Å
36D75.1Confident71.3Confident44 Ų4448.1 Ų48.124%0.23527%0.272CS..Hα-helixtrans-71.6-35.2179.4-67.6-19.7000112.3N32 E33 L34 F38 K39 A40N32-D36 WeakPolarHBondContact O-CB 3.21Å; N32-D36 PolarHBondContact O-N 3.07Å; E33-D36 PolarHBondContact O-N 3.14Å; L34-D36 VanDerWaalsContact C-N 3.3Å; L34-D36 PolarHBondContact O-N 2.93Å; D36-F38 VanDerWaalsContact C-N 3.35Å; D36-F38 PolarHBondContact O-N 2.52Å; D36-K39 PolarHBondContact O-N 3.3Å; D36-K39 IonicContact OD1-NZ 3.25Å; D36-K39 PolarHBondContact OD1-NZ 3.23Å; D36-A40 VanDerWaalsContact O-CB 3.23Å; D36-A40 WeakPolarHBondContact O-CB 3.28Å; D36-A40 PolarHBondContact O-N 2.99Å
37L78.8Confident70.7Confident0 Ų047.9 Ų47.90%028%0.283CS..Hα-helixtrans-55.1-48168.7172.470.1000111.8V21 E33 L34 A40 A41 F90 A93 I94 K97V21-L37 HydrophobicContact CG1-CD2 4.14Å; V21-L37 HydrophobicContact CG2-CD1 4.2Å; V21-L37 HydrophobicContact CG2-CD2 3.77Å; V21-L37 HydrophobicContact CG2-CG 4.5Å; E33-L37 VanDerWaalsContact O-CB 3.3Å; E33-L37 WeakPolarHBondContact O-CB 3.38Å; E33-L37 PolarHBondContact O-N 3.24Å; L34-L37 WeakPolarHBondContact O-CB 3.35Å; L34-L37 PolarHBondContact O-N 3.21Å; L37-A40 PolarHBondContact O-N 2.85Å; L37-A41 WeakPolarHBondContact O-CB 3.49Å; L37-A41 PolarHBondContact O-N 3Å; L37-F90 HydrophobicContact CD2-CD2 3.78Å; L37-F90 HydrophobicContact CD2-CE2 3.36Å; L37-F90 HydrophobicContact CD2-CZ 4.31Å; L37-A93 HydrophobicContact CD1-CB 4.48Å; L37-A93 HydrophobicContact CD2-CB 4.43Å; L37-A93 HydrophobicContact CG-CB 4.12Å; L37-I94 HydrophobicContact CD1-CG1 4.18Å; L37-I94 HydrophobicContact CD2-CG1 3.88Å; L37-K97 HydrophobicContact CD1-CB 4.27Å; L37-K97 HydrophobicContact CD1-CD 3.68Å
38F71Confident70.2Confident6 Ų653.2 Ų53.23%0.02629%0.294CS..Hα-helixtrans-71.1-32.3-178.8-75.1-64.2000113.4L34 N35 D36 L43 V50 I53 L57 T89 F90 A93L34-F38 WeakPolarHBondContact O-CD2 3.35Å; L34-F38 PolarHBondContact O-N 2.93Å; L34-F38 VanDerWaalsContact O-N 3.16Å; N35-F38 PolarHBondContact O-N 3.21Å; D36-F38 VanDerWaalsContact C-N 3.35Å; D36-F38 PolarHBondContact O-N 2.52Å; F38-L43 HydrophobicContact CD1-CD1 4.25Å; F38-V50 HydrophobicContact CB-CG1 3.67Å; F38-V50 HydrophobicContact CD2-CG1 4.37Å; F38-V50 HydrophobicContact CG-CG1 4.27Å; F38-I53 HydrophobicContact CD2-CG2 4.45Å; F38-I53 HydrophobicContact CE1-CG2 4.06Å; F38-I53 HydrophobicContact CE2-CG2 3.62Å; F38-I53 HydrophobicContact CZ-CG2 3.37Å; F38-L57 HydrophobicContact CE2-CD1 3.86Å; F38-L57 HydrophobicContact CZ-CD1 3.89Å; F38-T89 HydrophobicContact CE1-CG2 4.07Å; F38-F90 HydrophobicContact CE1-CD2 4.45Å; F38-F90 HydrophobicContact CE2-CD2 4.12Å; F38-F90 HydrophobicContact CZ-CB 4.05Å; F38-F90 AromaticContact CZ-CD2 3.64Å; F38-F90 HydrophobicContact CZ-CD2 3.64Å; F38-F90 HydrophobicContact CZ-CG 4.34Å; F38-A93 HydrophobicContact CD1-CB 3.66Å; F38-A93 HydrophobicContact CE1-CB 3.69Å
39K65.5Low69.5Low120 Ų12054.4 Ų54.452%0.52230%0.298SS..Hα-helixtrans-65.8-48.6170.5-69.7174.1-1601530111.4N35 D36 A41 C42N35-K39 PolarHBondContact ND2-NZ 3.3Å; N35-K39 WeakPolarHBondContact O-CG 3.22Å; N35-K39 PolarHBondContact O-N 2.83Å; D36-K39 PolarHBondContact O-N 3.3Å; D36-K39 IonicContact OD1-NZ 3.25Å; D36-K39 PolarHBondContact OD1-NZ 3.23Å; K39-A41 VanDerWaalsContact C-N 3.27Å; K39-A41 PolarHBondContact O-N 3.48Å; K39-C42 PolarHBondContact O-N 2.89Å
40A62.2Low68.8Low23 Ų2355.1 Ų55.119%0.1930%0.302CS..Hα-helixtrans-63.7-32.4-178.400000112.4D36 L37 C42D36-A40 VanDerWaalsContact O-CB 3.23Å; D36-A40 WeakPolarHBondContact O-CB 3.28Å; D36-A40 PolarHBondContact O-N 2.99Å; L37-A40 PolarHBondContact O-N 2.85Å; A40-C42 PolarHBondContact O-N 3.36Å
41A60.8Low68.3Low3 Ų361.5 Ų61.53%0.02532%0.322CS..THydrogen-bonded Turntrans-72.6-2.5177.700000115.1L37 K39 L43 A93 K96L37-A41 WeakPolarHBondContact O-CB 3.49Å; L37-A41 PolarHBondContact O-N 3Å; K39-A41 VanDerWaalsContact C-N 3.27Å; K39-A41 PolarHBondContact O-N 3.48Å; A41-L43 HydrophobicContact CB-CD1 4.36Å; A41-L43 HydrophobicContact CB-CG 4.21Å; A41-L43 PolarHBondContact O-N 3.11Å; A41-A93 VanDerWaalsContact CB-CA 3.49Å; A41-A93 HydrophobicContact CB-CB 3.64Å; A41-K96 HydrophobicContact CB-CB 4.03Å; A41-K96 HydrophobicContact CB-CD 4.49Å; A41-K96 WeakPolarHBondContact O-CD 3.29Å; A41-K96 PolarHBondContact O-NZ 3.02Å
42C52.8Low68.3Low103 Ų10362.4 Ų62.470%0.69633%0.327SS*.THydrogen-bonded Turntrans4049.4-179-65.70000113K39 A40 K96K39-C42 PolarHBondContact O-N 2.89Å; A40-C42 PolarHBondContact O-N 3.36Å; C42-K96 PolarHBondContact O-NZ 2.94Å
43L59.1Low68.1Low21 Ų2158 Ų5811%0.1130%0.304CS..  trans-80.6134.5171.1-67170.1000107.8F38 A41 L45 T89 K92 A93 K96F38-L43 HydrophobicContact CD1-CD1 4.25Å; A41-L43 HydrophobicContact CB-CD1 4.36Å; A41-L43 HydrophobicContact CB-CG 4.21Å; A41-L43 PolarHBondContact O-N 3.11Å; L43-L45 HydrophobicContact CB-CD1 3.85Å; L43-L45 HydrophobicContact CB-CG 3.98Å; L43-L45 HydrophobicContact CD1-CD1 4.27Å; L43-L45 PolarHBondContact O-N 3.26Å; L43-T89 HydrophobicContact CD1-CG2 3.78Å; L43-K92 HydrophobicContact CD2-CD 3.86Å; L43-K92 HydrophobicContact CD2-CG 4.11Å; L43-A93 HydrophobicContact CD1-CB 3.98Å; L43-K96 HydrophobicContact CD2-CD 4.13Å
44P49.3Very low67.9Low126 Ų12657.7 Ų57.782%0.81830%0.302SS*.  trans-73.369.7179.931.5-35000109.9
45L58.5Low67.9Low54 Ų5463 Ų6328%0.28333%0.327SS..  trans-117.9126.4-177.9-64.7174.6000108.6L43 R49 V50 I53 T89L43-L45 HydrophobicContact CB-CD1 3.85Å; L43-L45 HydrophobicContact CB-CG 3.98Å; L43-L45 HydrophobicContact CD1-CD1 4.27Å; L43-L45 PolarHBondContact O-N 3.26Å; L45-R49 HydrophobicContact CB-CB 4.48Å; L45-V50 HydrophobicContact CB-CG2 3.93Å; L45-I53 HydrophobicContact CD1-CD1 4.07Å; L45-T89 HydrophobicContact CD1-CG2 3.77Å
46P63.7Low68Low66 Ų6664.9 Ų64.943%0.42934%0.337SS..  trans-54.8145.4170-25.733.9000111.6Y48 R49 V50P46-Y48 HydrophobicContact CB-CD1 3.43Å; P46-Y48 VanDerWaalsContact CB-CD1 3.43Å; P46-Y48 HydrophobicContact CB-CE1 3.23Å; P46-Y48 HydrophobicContact CG-CD1 4.43Å; P46-Y48 HydrophobicContact CG-CE1 3.76Å; P46-Y48 PolarHBondContact O-N 3.49Å; P46-R49 HydrophobicContact CB-CG 4.49Å; P46-R49 HydrophobicContact CG-CG 4.46Å; P46-R49 WeakPolarHBondContact O-CB 3.02Å; P46-R49 PolarHBondContact O-N 3.47Å; P46-V50 PolarHBondContact O-N 2.95Å
47G63.9Low68Low56 Ų5662.8 Ų62.858%0.57733%0.326SS*.Hα-helixtrans-56.2-28.3-175.900000115.1R51G47-R51 PolarHBondContact O-N 3.36Å
48Y71.8Confident68Low146 Ų14663.9 Ų63.957%0.57333%0.331SS*.Hα-helixtrans-69.6-34.1174.677.8-90.2000112.9P46 R51 E52P46-Y48 HydrophobicContact CB-CD1 3.43Å; P46-Y48 VanDerWaalsContact CB-CD1 3.43Å; P46-Y48 HydrophobicContact CB-CE1 3.23Å; P46-Y48 HydrophobicContact CG-CD1 4.43Å; P46-Y48 HydrophobicContact CG-CE1 3.76Å; P46-Y48 PolarHBondContact O-N 3.49Å; Y48-R51 PolarHBondContact O-N 3.34Å; Y48-E52 WeakPolarHBondContact O-CB 3.48Å; Y48-E52 PolarHBondContact O-N 3.11Å
49R71.7Confident68.2Low124 Ų12467.6 Ų67.647%0.46836%0.364SS..Hα-helixtrans-69.7-36.1176.4-74.2-102.2-175.7166.5-4111.7L45 P46 E52 I53L45-R49 HydrophobicContact CB-CB 4.48Å; P46-R49 HydrophobicContact CB-CG 4.49Å; P46-R49 HydrophobicContact CG-CG 4.46Å; P46-R49 WeakPolarHBondContact O-CB 3.02Å; P46-R49 PolarHBondContact O-N 3.47Å; R49-E52 PolarHBondContact O-N 2.85Å; R49-I53 WeakPolarHBondContact O-CB 3.36Å; R49-I53 WeakPolarHBondContact O-CD1 3.47Å; R49-I53 WeakPolarHBondContact O-CG1 3.28Å; R49-I53 PolarHBondContact O-N 3.17Å
50V69.2Low68.5Low15 Ų1565.5 Ų65.59%0.09136%0.361CS..Hα-helixtrans-64.4-46.1175.7178.10000110.1F38 L45 P46 I53 T54F38-V50 HydrophobicContact CB-CG1 3.67Å; F38-V50 HydrophobicContact CD2-CG1 4.37Å; F38-V50 HydrophobicContact CG-CG1 4.27Å; L45-V50 HydrophobicContact CB-CG2 3.93Å; P46-V50 PolarHBondContact O-N 2.95Å; V50-I53 PolarHBondContact O-N 3.47Å; V50-T54 PolarHBondContact O-N 3.1Å; V50-T54 PolarHBondContact O-OG1 3.17Å; V50-T54 VanDerWaalsContact O-OG1 3.05Å
51R73.8Confident69Low160 Ų16064.5 Ų64.560%0.60435%0.353SS*.Hα-helixtrans-59.4-47.5174.9-71.4-178.8-176.9174.9-0.1112.1G47 Y48 I53 T54 E55G47-R51 PolarHBondContact O-N 3.36Å; Y48-R51 PolarHBondContact O-N 3.34Å; R51-I53 VanDerWaalsContact C-N 3.31Å; R51-I53 PolarHBondContact O-N 3.44Å; R51-T54 PolarHBondContact O-N 3.33Å; R51-E55 WeakPolarHBondContact O-CB 3.49Å; R51-E55 VanDerWaalsContact O-CG 3.3Å; R51-E55 WeakPolarHBondContact O-CG 3.32Å; R51-E55 PolarHBondContact O-N 3.43Å
52E75.6Confident69.9Low94 Ų9465.6 Ų65.644%0.43936%0.358SS..Hα-helixtrans-58-42177.1-178.3-177.2-166.300112.1Y48 R49 N56Y48-E52 WeakPolarHBondContact O-CB 3.48Å; Y48-E52 PolarHBondContact O-N 3.11Å; R49-E52 PolarHBondContact O-N 2.85Å; E52-N56 VanDerWaalsContact O-CB 3.29Å; E52-N56 WeakPolarHBondContact O-CB 3.33Å; E52-N56 VanDerWaalsContact O-CG 3.26Å; E52-N56 PolarHBondContact O-N 2.96Å; E52-N56 PolarHBondContact O-ND2 2.83Å
53I72.9Confident71.2Confident16 Ų1665.6 Ų65.68%0.08235%0.351CS..Hα-helixtrans-66.3-45.9177-73166.2000110.9F38 L45 R49 V50 R51 N56 L57 V86 T89F38-I53 HydrophobicContact CD2-CG2 4.45Å; F38-I53 HydrophobicContact CE1-CG2 4.06Å; F38-I53 HydrophobicContact CE2-CG2 3.62Å; F38-I53 HydrophobicContact CZ-CG2 3.37Å; L45-I53 HydrophobicContact CD1-CD1 4.07Å; R49-I53 WeakPolarHBondContact O-CB 3.36Å; R49-I53 WeakPolarHBondContact O-CD1 3.47Å; R49-I53 WeakPolarHBondContact O-CG1 3.28Å; R49-I53 PolarHBondContact O-N 3.17Å; V50-I53 PolarHBondContact O-N 3.47Å; R51-I53 VanDerWaalsContact C-N 3.31Å; R51-I53 PolarHBondContact O-N 3.44Å; I53-N56 PolarHBondContact O-N 3.02Å; I53-L57 HydrophobicContact CG2-CD1 3.98Å; I53-L57 WeakPolarHBondContact O-CB 3.35Å; I53-L57 VanDerWaalsContact O-CG 3.31Å; I53-L57 WeakPolarHBondContact O-CG 3.36Å; I53-L57 PolarHBondContact O-N 3.15Å; I53-V86 HydrophobicContact CG2-CG1 4.09Å; I53-T89 HydrophobicContact CD1-CG2 4.09Å
54T77Confident72.2Confident0 Ų069.5 Ų69.50%037%0.372CS..Hα-helixtrans-64.5-44.5179.2-57.50000111.6F31 L34 V50 R51 N56 L57 M58F31-T54 HydrophobicContact CD2-CG2 3.4Å; F31-T54 VanDerWaalsContact CD2-CG2 3.4Å; F31-T54 HydrophobicContact CE2-CG2 3.37Å; F31-T54 HydrophobicContact CG-CG2 4.08Å; F31-T54 HydrophobicContact CZ-CG2 4.02Å; L34-T54 HydrophobicContact CB-CG2 3.71Å; L34-T54 HydrophobicContact CD1-CG2 3.99Å; V50-T54 PolarHBondContact O-N 3.1Å; V50-T54 PolarHBondContact O-OG1 3.17Å; V50-T54 VanDerWaalsContact O-OG1 3.05Å; R51-T54 PolarHBondContact O-N 3.33Å; T54-N56 VanDerWaalsContact C-N 3.35Å; T54-N56 PolarHBondContact O-N 3.48Å; T54-L57 PolarHBondContact O-N 3.1Å; T54-M58 WeakPolarHBondContact O-CG 3.48Å; T54-M58 PolarHBondContact O-N 3.27Å
55E78.8Confident73.6Confident114 Ų11471.6 Ų71.653%0.53337%0.371SS..Hα-helixtrans-62.1-41.9176.5-73.6169.8-170.600111.5F31 R51 M58 A59F31-E55 HydrophobicContact CE2-CG 4.15Å; R51-E55 WeakPolarHBondContact O-CB 3.49Å; R51-E55 VanDerWaalsContact O-CG 3.3Å; R51-E55 WeakPolarHBondContact O-CG 3.32Å; R51-E55 PolarHBondContact O-N 3.43Å; E55-M58 PolarHBondContact O-N 2.91Å; E55-A59 WeakPolarHBondContact O-CB 3.42Å; E55-A59 PolarHBondContact O-N 2.91Å
56N76.9Confident74.7Confident71 Ų7172.6 Ų72.638%0.3838%0.376SS..Hα-helixtrans-65.6-39.5175-80-50.8000112.6E52 I53 T54 T60E52-N56 VanDerWaalsContact O-CB 3.29Å; E52-N56 WeakPolarHBondContact O-CB 3.33Å; E52-N56 VanDerWaalsContact O-CG 3.26Å; E52-N56 PolarHBondContact O-N 2.96Å; E52-N56 PolarHBondContact O-ND2 2.83Å; I53-N56 PolarHBondContact O-N 3.02Å; T54-N56 VanDerWaalsContact C-N 3.35Å; T54-N56 PolarHBondContact O-N 3.48Å; N56-T60 WeakPolarHBondContact O-CB 3.2Å; N56-T60 WeakPolarHBondContact O-CG2 3.48Å; N56-T60 PolarHBondContact O-N 3.41Å; N56-T60 VanDerWaalsContact O-N 3.08Å; N56-T60 PolarHBondContact O-OG1 3.27Å
57L75.9Confident75.3Confident1 Ų171.5 Ų71.51%0.00538%0.376CS..Hα-helixtrans-65.2-42176.4-76169.5000111.7L34 F38 I53 T54 T60 G61 I77 L81 V86 F90L34-L57 HydrophobicContact CD1-CB 4.41Å; F38-L57 HydrophobicContact CE2-CD1 3.86Å; F38-L57 HydrophobicContact CZ-CD1 3.89Å; I53-L57 HydrophobicContact CG2-CD1 3.98Å; I53-L57 WeakPolarHBondContact O-CB 3.35Å; I53-L57 VanDerWaalsContact O-CG 3.31Å; I53-L57 WeakPolarHBondContact O-CG 3.36Å; I53-L57 PolarHBondContact O-N 3.15Å; T54-L57 PolarHBondContact O-N 3.1Å; L57-T60 PolarHBondContact O-OG1 2.88Å; L57-G61 WeakPolarHBondContact O-CA 3.48Å; L57-G61 PolarHBondContact O-N 3.25Å; L57-I77 HydrophobicContact CD2-CG2 3.8Å; L57-L81 HydrophobicContact CD2-CD1 4.12Å; L57-V86 HydrophobicContact CD1-CG1 4.47Å; L57-V86 HydrophobicContact CD2-CG1 3.85Å; L57-V86 HydrophobicContact CG-CG1 3.8Å; L57-F90 HydrophobicContact CD1-CB 4.18Å; L57-F90 HydrophobicContact CD1-CD2 3.66Å; L57-F90 HydrophobicContact CD1-CE2 4.18Å; L57-F90 HydrophobicContact CD1-CG 3.96Å; L57-F90 HydrophobicContact CD2-CG 4.43Å
58M77.4Confident76.3Confident22 Ų2274.3 Ų74.311%0.10837%0.37CS..Hα-helixtrans-65.7-50.1174.6-67.4-62.7-65.700110.8F31 L34 T54 E55 T60 G61 D62 G67 I69F31-M58 HydrophobicContact CD2-CG 4.12Å; L34-M58 HydrophobicContact CD1-CG 4.12Å; L34-M58 HydrophobicContact CD1-SD 3.71Å; T54-M58 WeakPolarHBondContact O-CG 3.48Å; T54-M58 PolarHBondContact O-N 3.27Å; E55-M58 PolarHBondContact O-N 2.91Å; M58-T60 PolarHBondContact O-N 3.36Å; M58-T60 VanDerWaalsContact O-N 3.1Å; M58-G61 PolarHBondContact O-N 3.25Å; M58-D62 HydrophobicContact CE-CB 4.48Å; M58-D62 VanDerWaalsContact O-CB 3.24Å; M58-D62 WeakPolarHBondContact O-CB 3.42Å; M58-D62 PolarHBondContact O-N 3.46Å; M58-G67 VanDerWaalsContact CE-C 3.42Å; M58-G67 WeakPolarHBondContact CE-O 3.46Å; M58-I69 HydrophobicContact SD-CD1 3.61Å; M58-I69 HydrophobicContact SD-CG1 3.91Å
59A75.4Confident77Confident85 Ų8567.5 Ų67.570%0.70234%0.343SS*.Hα-helixtrans-62.4-23.2-178.100000114.2E55E55-A59 WeakPolarHBondContact O-CB 3.42Å; E55-A59 PolarHBondContact O-N 2.91Å
60T71.3Confident77.7Confident76 Ų7662.9 Ų62.947%0.46633%0.33SS..Hα-helixtrans-102.1-21.2178.656.30000113.7N56 L57 M58N56-T60 WeakPolarHBondContact O-CB 3.2Å; N56-T60 WeakPolarHBondContact O-CG2 3.48Å; N56-T60 PolarHBondContact O-N 3.41Å; N56-T60 VanDerWaalsContact O-N 3.08Å; N56-T60 PolarHBondContact O-OG1 3.27Å; L57-T60 PolarHBondContact O-OG1 2.88Å; M58-T60 PolarHBondContact O-N 3.36Å; M58-T60 VanDerWaalsContact O-N 3.1Å
61G73.2Confident78.3Confident2 Ų263.7 Ų63.72%0.02133%0.332CS..Hα-helixtrans-103-35.4-171.200000114.7L57 M58 L63 E73 I77L57-G61 WeakPolarHBondContact O-CA 3.48Å; L57-G61 PolarHBondContact O-N 3.25Å; M58-G61 PolarHBondContact O-N 3.25Å; G61-L63 PolarHBondContact O-N 2.95Å; G61-E73 WeakPolarHBondContact O-CB 2.93Å; G61-E73 WeakPolarHBondContact O-CG 3.35Å; G61-I77 VanDerWaalsContact CA-CD1 3.49Å; G61-I77 VanDerWaalsContact CA-CG1 3.45Å
62D80.4Confident78.7Confident26 Ų2661.3 Ų61.314%0.13933%0.332CS..  trans-81.892.1177.7179.6-0.9000108.9M58 Q65 D66 G67M58-D62 HydrophobicContact CE-CB 4.48Å; M58-D62 VanDerWaalsContact O-CB 3.24Å; M58-D62 WeakPolarHBondContact O-CB 3.42Å; M58-D62 PolarHBondContact O-N 3.46Å; D62-Q65 WeakPolarHBondContact OD1-CA 3.24Å; D62-Q65 PolarHBondContact OD1-N 3.38Å; D62-D66 PolarHBondContact OD1-N 3.01Å; D62-D66 VanDerWaalsContact OD1-N 3.1Å; D62-G67 WeakPolarHBondContact OD2-CA 3.5Å; D62-G67 PolarHBondContact OD2-N 3.32Å
63L78.5Confident79.1Confident103 Ų10357.3 Ų57.354%0.53931%0.313SS..SBendtrans-85.5-26.3-171.9-67.4175.8000112.1G61 E73 K76G61-L63 PolarHBondContact O-N 2.95Å; L63-E73 HydrophobicContact CB-CG 4.5Å; L63-E73 HydrophobicContact CD1-CG 4.4Å; L63-E73 HydrophobicContact CG-CG 4.46Å; L63-E73 PolarHBondContact N-OE1 2.88Å; L63-K76 HydrophobicContact CD1-CD 3.54Å
64D80.4Confident79.5Confident102 Ų10256.6 Ų56.655%0.54531%0.309SS..SBendtrans-96.5-2.5177.566.811.5000113.8D66 E73D64-D66 VanDerWaalsContact C-N 3.28Å; D64-D66 PolarHBondContact O-N 3.22Å; D64-D66 WeakPolarHBondContact OD1-CB 3.29Å; D64-D66 PolarHBondContact OD1-N 3.41Å; D64-E73 PolarHBondContact N-OE1 2.84Å
65Q79.6Confident79.6Confident171 Ų17157.8 Ų57.880%0.79932%0.315SS*.  trans61.832.5176-58.1-176.30.300113D62 G67D62-Q65 WeakPolarHBondContact OD1-CA 3.24Å; D62-Q65 PolarHBondContact OD1-N 3.38Å; Q65-G67 PolarHBondContact O-N 2.87Å
66D80.6Confident79.4Confident75 Ų7557.9 Ų57.940%0.40131%0.314SS..SBendtrans-81.5-3.8178.184.7-9000113.2D62 D64 R68D62-D66 PolarHBondContact OD1-N 3.01Å; D62-D66 VanDerWaalsContact OD1-N 3.1Å; D64-D66 VanDerWaalsContact C-N 3.28Å; D64-D66 PolarHBondContact O-N 3.22Å; D64-D66 WeakPolarHBondContact OD1-CB 3.29Å; D64-D66 PolarHBondContact OD1-N 3.41Å; D66-R68 VanDerWaalsContact C-N 3.33Å; D66-R68 WeakPolarHBondContact OD1-CA 3.47Å; D66-R68 WeakPolarHBondContact OD1-CB 3.5Å; D66-R68 PolarHBondContact OD1-N 3.04Å
67G77.9Confident79.3Confident42 Ų4254.9 Ų54.943%0.43330%0.298SS..SBendtrans80.812.9-18000000113.5M58 D62 Q65M58-G67 VanDerWaalsContact CE-C 3.42Å; M58-G67 WeakPolarHBondContact CE-O 3.46Å; D62-G67 WeakPolarHBondContact OD2-CA 3.5Å; D62-G67 PolarHBondContact OD2-N 3.32Å; Q65-G67 PolarHBondContact O-N 2.87Å
68R83.7Confident79.1Confident116 Ų11657.1 Ų57.144%0.43831%0.307SS..EExtended strand (participates in β ladder)trans-138.3171.8179.6-52.8-177.2-179.5-158.7-3.9109.6Y28 D66Y28-R68 HydrophobicContact CD1-CB 4.36Å; D66-R68 VanDerWaalsContact C-N 3.33Å; D66-R68 WeakPolarHBondContact OD1-CA 3.47Å; D66-R68 WeakPolarHBondContact OD1-CB 3.5Å; D66-R68 PolarHBondContact OD1-N 3.04Å
69I85.8Confident78.8Confident3 Ų359.8 Ų59.82%0.01532%0.319CS..EExtended strand (participates in β ladder)trans-122112.9177.4-64.6164.3000108.3Y28 I29 L34 M58 E73 F74 I77Y28-I69 WeakPolarHBondContact CA-O 3.5Å; I29-I69 HydrophobicContact CB-CB 4.2Å; I29-I69 PolarHBondContact N-O 3.02Å; I29-I69 PolarHBondContact O-N 3.23Å; L34-I69 HydrophobicContact CD1-CD1 3.89Å; M58-I69 HydrophobicContact SD-CD1 3.61Å; M58-I69 HydrophobicContact SD-CG1 3.91Å; I69-E73 HydrophobicContact CG2-CB 3.95Å; I69-F74 HydrophobicContact CG2-CB 4Å; I69-I77 HydrophobicContact CD1-CD1 3.66Å; I69-I77 HydrophobicContact CG1-CD1 4.16Å; I69-I77 HydrophobicContact CG2-CD1 3.69Å
70S86.3Confident78.1Confident26 Ų2658.4 Ų58.418%0.18231%0.314CS..EExtended strand (participates in β ladder)trans-72.2165.7172.866.10000112.2D72 E73 F74S70-D72 VanDerWaalsContact C-N 3.3Å; S70-D72 PolarHBondContact O-N 3.23Å; S70-E73 WeakPolarHBondContact CB-OE2 3.46Å; S70-E73 PolarHBondContact N-OE2 3.1Å; S70-E73 PolarHBondContact O-N 3.18Å; S70-E73 VanDerWaalsContact OG-CD 3.29Å; S70-E73 WeakPolarHBondContact OG-CG 3.45Å; S70-E73 PolarHBondContact OG-N 3.32Å; S70-E73 PolarHBondContact OG-OE2 2.74Å; S70-F74 WeakPolarHBondContact O-CB 3.49Å; S70-F74 PolarHBondContact O-N 2.92Å
71F83.6Confident77.3Confident32 Ų3256.6 Ų56.614%0.1430%0.301CS..Hα-helixtrans-58.1-40.5177.2-177.4-113.2000113M11 L14 R15 F18 E73 F74 I75M11-F71 HydrophobicContact SD-CE1 4.23Å; M11-F71 HydrophobicContact SD-CZ 4.29Å; L14-F71 HydrophobicContact CB-CZ 4.42Å; R15-F71 HydrophobicContact CB-CE2 4.36Å; R15-F71 HydrophobicContact CB-CZ 4.33Å; R15-F71 HydrophobicContact CG-CE1 4.05Å; R15-F71 HydrophobicContact CG-CE2 3.74Å; R15-F71 HydrophobicContact CG-CZ 3.3Å; F18-F71 HydrophobicContact CB-CD2 3.71Å; F18-F71 HydrophobicContact CB-CE2 3.9Å; F18-F71 AromaticContact CD1-CD2 3.98Å; F18-F71 HydrophobicContact CD1-CD2 3.98Å; F18-F71 HydrophobicContact CD2-CB 4.42Å; F18-F71 AromaticContact CD2-CD2 3.82Å; F18-F71 HydrophobicContact CD2-CD2 3.82Å; F18-F71 HydrophobicContact CE1-CB 4.34Å; F18-F71 HydrophobicContact CE2-CB 4.19Å; F18-F71 HydrophobicContact CE2-CD2 4.42Å; F18-F71 AromaticContact CG-CD2 3.56Å; F18-F71 HydrophobicContact CG-CD2 3.56Å; F18-F71 HydrophobicContact CG-CE2 4.28Å; F18-F71 HydrophobicContact CZ-CB 4.15Å; F71-E73 VanDerWaalsContact C-N 3.31Å; F71-E73 PolarHBondContact O-N 3.44Å; F71-F74 WeakPolarHBondContact O-CB 2.93Å; F71-F74 PolarHBondContact O-N 2.91Å; F71-I75 HydrophobicContact CD1-CD1 4Å; F71-I75 HydrophobicContact CE1-CD1 3.52Å; F71-I75 HydrophobicContact CE1-CG1 4.29Å; F71-I75 HydrophobicContact CE2-CD1 4.49Å; F71-I75 HydrophobicContact CE2-CG1 4.43Å; F71-I75 HydrophobicContact CZ-CD1 3.78Å; F71-I75 HydrophobicContact CZ-CG1 4.14Å; F71-I75 WeakPolarHBondContact O-CG1 3.37Å; F71-I75 PolarHBondContact O-N 2.68Å
72D80.9Confident76.2Confident111 Ų11165.3 Ų65.359%0.59434%0.338SS*.Hα-helixtrans-69.3-30.2179.5-72.8-29.2000112.6S70 K76S70-D72 VanDerWaalsContact C-N 3.3Å; S70-D72 PolarHBondContact O-N 3.23Å; D72-K76 WeakPolarHBondContact O-CG 3.4Å; D72-K76 PolarHBondContact O-N 2.9Å
73E83.9Confident74.9Confident9 Ų968.8 Ų68.84%0.04237%0.365CS..Hα-helixtrans-74.9-40.8172.4-75.4168.1141.500111.8G61 L63 D64 I69 S70 F71 I75 K76 I77G61-E73 WeakPolarHBondContact O-CB 2.93Å; G61-E73 WeakPolarHBondContact O-CG 3.35Å; L63-E73 HydrophobicContact CB-CG 4.5Å; L63-E73 HydrophobicContact CD1-CG 4.4Å; L63-E73 HydrophobicContact CG-CG 4.46Å; L63-E73 PolarHBondContact N-OE1 2.88Å; D64-E73 PolarHBondContact N-OE1 2.84Å; I69-E73 HydrophobicContact CG2-CB 3.95Å; S70-E73 WeakPolarHBondContact CB-OE2 3.46Å; S70-E73 PolarHBondContact N-OE2 3.1Å; S70-E73 PolarHBondContact O-N 3.18Å; S70-E73 VanDerWaalsContact OG-CD 3.29Å; S70-E73 WeakPolarHBondContact OG-CG 3.45Å; S70-E73 PolarHBondContact OG-N 3.32Å; S70-E73 PolarHBondContact OG-OE2 2.74Å; F71-E73 VanDerWaalsContact C-N 3.31Å; F71-E73 PolarHBondContact O-N 3.44Å; E73-I75 VanDerWaalsContact C-N 3.3Å; E73-I75 PolarHBondContact O-N 3.4Å; E73-K76 CarbonylContact O-C 3.54Å; E73-K76 WeakPolarHBondContact O-CA 3.26Å; E73-K76 WeakPolarHBondContact O-CB 3.44Å; E73-K76 PolarHBondContact O-N 3.41Å; E73-I77 WeakPolarHBondContact O-CG1 3.3Å; E73-I77 PolarHBondContact O-N 3.46Å
74F81.6Confident74.2Confident1 Ų166.7 Ų66.70%0.00436%0.356CS..Hα-helixtrans-57.4-42.8173.6179.2-95.3000111.9L14 A17 F18 I29 I69 S70 F71 K76 I77 F78 F90 I94L14-F74 HydrophobicContact CD2-CE1 4.36Å; A17-F74 HydrophobicContact CB-CE1 4.1Å; A17-F74 HydrophobicContact CB-CZ 3.91Å; F18-F74 HydrophobicContact CB-CD1 4.06Å; F18-F74 HydrophobicContact CB-CE1 4.02Å; F18-F74 HydrophobicContact CB-CZ 4.43Å; F18-F74 HydrophobicContact CD2-CB 3.54Å; F18-F74 AromaticContact CD2-CD1 3.83Å; F18-F74 HydrophobicContact CD2-CD1 3.83Å; F18-F74 AromaticContact CD2-CD2 3.89Å; F18-F74 HydrophobicContact CD2-CD2 3.89Å; F18-F74 HydrophobicContact CD2-CE1 4.47Å; F18-F74 HydrophobicContact CD2-CE2 4.5Å; F18-F74 AromaticContact CD2-CG 3.51Å; F18-F74 HydrophobicContact CD2-CG 3.51Å; F18-F74 HydrophobicContact CE2-CB 3.81Å; F18-F74 HydrophobicContact CE2-CG 4.22Å; F18-F74 HydrophobicContact CG-CD1 4.45Å; F18-F74 HydrophobicContact CG-CG 4.5Å; I29-F74 HydrophobicContact CD1-CD2 3.55Å; I29-F74 HydrophobicContact CD1-CE2 3.87Å; I29-F74 HydrophobicContact CD1-CG 4.36Å; I69-F74 HydrophobicContact CG2-CB 4Å; S70-F74 WeakPolarHBondContact O-CB 3.49Å; S70-F74 PolarHBondContact O-N 2.92Å; F71-F74 WeakPolarHBondContact O-CB 2.93Å; F71-F74 PolarHBondContact O-N 2.91Å; F74-K76 VanDerWaalsContact C-N 3.25Å; F74-K76 PolarHBondContact O-N 3.44Å; F74-I77 PolarHBondContact O-N 2.87Å; F74-F78 HydrophobicContact CE1-CD2 4.17Å; F74-F78 HydrophobicContact CZ-CD2 4.14Å; F74-F78 VanDerWaalsContact O-CB 3.27Å; F74-F78 WeakPolarHBondContact O-CB 3.36Å; F74-F78 PolarHBondContact O-N 3.5Å; F74-F90 HydrophobicContact CD2-CE1 4.36Å; F74-F90 HydrophobicContact CD2-CZ 4.38Å; F74-F90 AromaticContact CE2-CE1 3.72Å; F74-F90 HydrophobicContact CE2-CE1 3.72Å; F74-F90 AromaticContact CE2-CZ 3.76Å; F74-F90 HydrophobicContact CE2-CZ 3.76Å; F74-F90 HydrophobicContact CZ-CE1 4.46Å; F74-I94 HydrophobicContact CE2-CD1 4.27Å; F74-I94 HydrophobicContact CZ-CD1 4.09Å
75I79.4Confident73.3Confident25 Ų2567.7 Ų67.713%0.12836%0.362CS..Hα-helixtrans-56.2-42.3172.8-70.1174.9000110.4M11 L14 F71 E73 F78 H79M11-I75 HydrophobicContact SD-CD1 4.07Å; L14-I75 HydrophobicContact CD1-CG1 4.28Å; F71-I75 HydrophobicContact CD1-CD1 4Å; F71-I75 HydrophobicContact CE1-CD1 3.52Å; F71-I75 HydrophobicContact CE1-CG1 4.29Å; F71-I75 HydrophobicContact CE2-CD1 4.49Å; F71-I75 HydrophobicContact CE2-CG1 4.43Å; F71-I75 HydrophobicContact CZ-CD1 3.78Å; F71-I75 HydrophobicContact CZ-CG1 4.14Å; F71-I75 WeakPolarHBondContact O-CG1 3.37Å; F71-I75 PolarHBondContact O-N 2.68Å; E73-I75 VanDerWaalsContact C-N 3.3Å; E73-I75 PolarHBondContact O-N 3.4Å; I75-F78 PolarHBondContact O-N 2.98Å; I75-H79 WeakPolarHBondContact O-CB 3.39Å; I75-H79 PolarHBondContact O-CD2 3.43Å; I75-H79 PolarHBondContact O-N 3.09Å
76K75.1Confident72.7Confident116 Ų11661 Ų6150%0.50433%0.333SS..Hα-helixtrans-70.4-36.6178.1-66171.1-169.81620112.8L63 D72 E73 F74 F78 G80L63-K76 HydrophobicContact CD1-CD 3.54Å; D72-K76 WeakPolarHBondContact O-CG 3.4Å; D72-K76 PolarHBondContact O-N 2.9Å; E73-K76 CarbonylContact O-C 3.54Å; E73-K76 WeakPolarHBondContact O-CA 3.26Å; E73-K76 WeakPolarHBondContact O-CB 3.44Å; E73-K76 PolarHBondContact O-N 3.41Å; F74-K76 VanDerWaalsContact C-N 3.25Å; F74-K76 PolarHBondContact O-N 3.44Å; K76-F78 VanDerWaalsContact C-N 3.3Å; K76-G80 WeakPolarHBondContact O-CA 3.47Å; K76-G80 PolarHBondContact O-N 3.27Å
77I74.6Confident72Confident9 Ų957.9 Ų57.95%0.04632%0.317CS..Hα-helixtrans-62.6-44.1171.8-63.1170000109.5L57 G61 I69 E73 F74 L81 F90L57-I77 HydrophobicContact CD2-CG2 3.8Å; G61-I77 VanDerWaalsContact CA-CD1 3.49Å; G61-I77 VanDerWaalsContact CA-CG1 3.45Å; I69-I77 HydrophobicContact CD1-CD1 3.66Å; I69-I77 HydrophobicContact CG1-CD1 4.16Å; I69-I77 HydrophobicContact CG2-CD1 3.69Å; E73-I77 WeakPolarHBondContact O-CG1 3.3Å; E73-I77 PolarHBondContact O-N 3.46Å; F74-I77 PolarHBondContact O-N 2.87Å; I77-L81 HydrophobicContact CG2-CD1 3.89Å; I77-F90 HydrophobicContact CG2-CE1 4.46Å
78F71.2Confident71.5Confident47 Ų4761.8 Ų61.821%0.20632%0.322CS..Hα-helixtrans-69-34.1-177.1-155.2-86000112.3L14 F74 I75 K76 R91L14-F78 HydrophobicContact CD2-CB 3.75Å; L14-F78 HydrophobicContact CD2-CD1 3.3Å; L14-F78 HydrophobicContact CD2-CD2 4Å; L14-F78 HydrophobicContact CD2-CE1 3.76Å; L14-F78 HydrophobicContact CD2-CE2 4.4Å; L14-F78 HydrophobicContact CD2-CG 3.41Å; L14-F78 VanDerWaalsContact CD2-CG 3.41Å; L14-F78 HydrophobicContact CD2-CZ 4.29Å; F74-F78 HydrophobicContact CE1-CD2 4.17Å; F74-F78 HydrophobicContact CZ-CD2 4.14Å; F74-F78 VanDerWaalsContact O-CB 3.27Å; F74-F78 WeakPolarHBondContact O-CB 3.36Å; F74-F78 PolarHBondContact O-N 3.5Å; I75-F78 PolarHBondContact O-N 2.98Å; K76-F78 VanDerWaalsContact C-N 3.3Å; F78-R91 HydrophobicContact CE2-CG 3.96Å; F78-R91 HydrophobicContact CZ-CG 4.23Å; F78-R91 PolarHBondContact O-NH2 3.06Å
79H71.4Confident70.8Confident78 Ų7857.8 Ų57.836%0.36131%0.311SS..Hα-helixtrans-98.2-31.8178.1-70.6-71.1000115.3E10 I75E10-H79 IonicContact OE1-CE1 2.93Å; E10-H79 PolarHBondContact OE1-CE1 3.12Å; E10-H79 VanDerWaalsContact OE1-CE1 3.26Å; I75-H79 WeakPolarHBondContact O-CB 3.39Å; I75-H79 PolarHBondContact O-CD2 3.43Å; I75-H79 PolarHBondContact O-N 3.09Å
80G61.3Low70.2Confident57 Ų5757.9 Ų57.959%0.58831%0.311SS*.Hα-helixtrans-84.5-22.9-165.700000114.8K76 K82K76-G80 WeakPolarHBondContact O-CA 3.47Å; K76-G80 PolarHBondContact O-N 3.27Å; G80-K82 VanDerWaalsContact C-N 3.3Å; G80-K82 PolarHBondContact O-N 3.39Å
81L54.5Low69.6Low37 Ų3761.4 Ų61.419%0.19432%0.32CS..  trans-8079.5176-65.9171.4000110.2L57 I77 S83 A87L57-L81 HydrophobicContact CD2-CD1 4.12Å; I77-L81 HydrophobicContact CG2-CD1 3.89Å; L81-S83 PolarHBondContact O-N 3.06Å; L81-A87 HydrophobicContact CB-CB 3.52Å; L81-A87 HydrophobicContact CD1-CB 3.77Å; L81-A87 HydrophobicContact CG-CB 4.29Å
82K49.2Very low68.9Low185 Ų18565.5 Ų65.580%0.80434%0.338SS*.  trans-59.2107.9166.8-73-173.8178.9-178.90109.1G80 T84G80-K82 VanDerWaalsContact C-N 3.3Å; G80-K82 PolarHBondContact O-N 3.39Å; K82-T84 PolarHBondContact O-N 2.83Å; K82-T84 VanDerWaalsContact O-N 3.14Å
83S54.1Low68.4Low100 Ų10060.2 Ų60.270%0.69931%0.31SS*.SBendtrans51.635163.568.70000117.9L81L81-S83 PolarHBondContact O-N 3.06Å
84T62.7Low67.7Low58 Ų5860 Ų6036%0.35631%0.309SS..  trans-85.2147165.257.10000110.5K82 V86 A87 K88K82-T84 PolarHBondContact O-N 2.83Å; K82-T84 VanDerWaalsContact O-N 3.14Å; T84-V86 PolarHBondContact O-N 3.37Å; T84-A87 PolarHBondContact O-N 3.49Å; T84-K88 PolarHBondContact O-N 3.45Å
85D62.3Low67Low123 Ų12364.9 Ų64.966%0.65834%0.335SS*.Hα-helixtrans-61.2-26.8178-72.8-29.5000112.3T89D85-T89 VanDerWaalsContact O-CB 3.3Å; D85-T89 WeakPolarHBondContact O-CB 3.38Å; D85-T89 PolarHBondContact O-N 2.81Å; D85-T89 PolarHBondContact O-OG1 2.72Å
86V65.9Low66.2Low32 Ų3267.9 Ų67.919%0.19435%0.347CS..Hα-helixtrans-59.8-50.5174.6179.80000111.2I53 L57 T84 T89 F90I53-V86 HydrophobicContact CG2-CG1 4.09Å; L57-V86 HydrophobicContact CD1-CG1 4.47Å; L57-V86 HydrophobicContact CD2-CG1 3.85Å; L57-V86 HydrophobicContact CG-CG1 3.8Å; T84-V86 PolarHBondContact O-N 3.37Å; V86-T89 PolarHBondContact O-N 3.04Å; V86-F90 WeakPolarHBondContact O-CB 3.24Å; V86-F90 PolarHBondContact O-N 2.86Å
87A66.3Low65.5Low9 Ų963.7 Ų63.77%0.07433%0.329CS..Hα-helixtrans-67.9-38.7-178.600000113L81 T84 T89 F90 R91L81-A87 HydrophobicContact CB-CB 3.52Å; L81-A87 HydrophobicContact CD1-CB 3.77Å; L81-A87 HydrophobicContact CG-CB 4.29Å; T84-A87 PolarHBondContact O-N 3.49Å; A87-T89 VanDerWaalsContact C-N 3.31Å; A87-T89 PolarHBondContact O-N 3.4Å; A87-F90 PolarHBondContact O-N 3.35Å; A87-R91 WeakPolarHBondContact O-CG 3.32Å; A87-R91 PolarHBondContact O-N 2.8Å
88K67.7Low64.2Low123 Ų12368.9 Ų68.954%0.53535%0.353SS..Hα-helixtrans-62.6-41.2174.1-68.6178.4-176.2168.50111.2T84 K92T84-K88 PolarHBondContact O-N 3.45Å; K88-K92 VanDerWaalsContact O-CB 3.28Å; K88-K92 WeakPolarHBondContact O-CB 3.42Å; K88-K92 PolarHBondContact O-N 2.98Å
89T69.6Low63.1Low33 Ų3368.2 Ų68.220%0.20236%0.359CS..Hα-helixtrans-68.8-41.4179.1-55.70000111.3F38 L43 L45 I53 D85 V86 A87 K92 A93F38-T89 HydrophobicContact CE1-CG2 4.07Å; L43-T89 HydrophobicContact CD1-CG2 3.78Å; L45-T89 HydrophobicContact CD1-CG2 3.77Å; I53-T89 HydrophobicContact CD1-CG2 4.09Å; D85-T89 VanDerWaalsContact O-CB 3.3Å; D85-T89 WeakPolarHBondContact O-CB 3.38Å; D85-T89 PolarHBondContact O-N 2.81Å; D85-T89 PolarHBondContact O-OG1 2.72Å; V86-T89 PolarHBondContact O-N 3.04Å; A87-T89 VanDerWaalsContact C-N 3.31Å; A87-T89 PolarHBondContact O-N 3.4Å; T89-K92 PolarHBondContact O-N 2.95Å; T89-A93 WeakPolarHBondContact O-CB 3.2Å; T89-A93 PolarHBondContact O-N 3.25Å
90F73.3Confident62Low5 Ų567 Ų672%0.02236%0.355CS..Hα-helixtrans-61.6-49.8175.5-176-120.7000112.4L34 L37 F38 L57 F74 I77 V86 A87 K92 A93 I94L34-F90 HydrophobicContact CD2-CD2 4.4Å; L34-F90 HydrophobicContact CD2-CE2 3.41Å; L34-F90 VanDerWaalsContact CD2-CE2 3.41Å; L34-F90 HydrophobicContact CD2-CZ 3.89Å; L37-F90 HydrophobicContact CD2-CD2 3.78Å; L37-F90 HydrophobicContact CD2-CE2 3.36Å; L37-F90 HydrophobicContact CD2-CZ 4.31Å; F38-F90 HydrophobicContact CE1-CD2 4.45Å; F38-F90 HydrophobicContact CE2-CD2 4.12Å; F38-F90 HydrophobicContact CZ-CB 4.05Å; F38-F90 AromaticContact CZ-CD2 3.64Å; F38-F90 HydrophobicContact CZ-CD2 3.64Å; F38-F90 HydrophobicContact CZ-CG 4.34Å; L57-F90 HydrophobicContact CD1-CB 4.18Å; L57-F90 HydrophobicContact CD1-CD2 3.66Å; L57-F90 HydrophobicContact CD1-CE2 4.18Å; L57-F90 HydrophobicContact CD1-CG 3.96Å; L57-F90 HydrophobicContact CD2-CG 4.43Å; F74-F90 HydrophobicContact CD2-CE1 4.36Å; F74-F90 HydrophobicContact CD2-CZ 4.38Å; F74-F90 AromaticContact CE2-CE1 3.72Å; F74-F90 HydrophobicContact CE2-CE1 3.72Å; F74-F90 AromaticContact CE2-CZ 3.76Å; F74-F90 HydrophobicContact CE2-CZ 3.76Å; F74-F90 HydrophobicContact CZ-CE1 4.46Å; I77-F90 HydrophobicContact CG2-CE1 4.46Å; V86-F90 WeakPolarHBondContact O-CB 3.24Å; V86-F90 PolarHBondContact O-N 2.86Å; A87-F90 PolarHBondContact O-N 3.35Å; F90-K92 VanDerWaalsContact C-N 3.32Å; F90-K92 PolarHBondContact O-N 3.31Å; F90-A93 WeakPolarHBondContact O-CB 3.32Å; F90-A93 PolarHBondContact O-N 2.82Å; F90-I94 HydrophobicContact CD1-CD1 4.1Å; F90-I94 HydrophobicContact CE1-CD1 3.71Å; F90-I94 HydrophobicContact CE2-CD1 4.24Å; F90-I94 HydrophobicContact CZ-CD1 3.81Å; F90-I94 WeakPolarHBondContact O-CG1 3.32Å; F90-I94 PolarHBondContact O-N 2.81Å
91R72.3Confident61.2Low99 Ų9966.8 Ų66.837%0.37434%0.344SS..Hα-helixtrans-60.4-40.8175.1-71.2-176.5-172156.60.3112.5F78 A87 A93 I94 N95F78-R91 HydrophobicContact CE2-CG 3.96Å; F78-R91 HydrophobicContact CZ-CG 4.23Å; F78-R91 PolarHBondContact O-NH2 3.06Å; A87-R91 WeakPolarHBondContact O-CG 3.32Å; A87-R91 PolarHBondContact O-N 2.8Å; R91-A93 VanDerWaalsContact C-N 3.27Å; R91-A93 PolarHBondContact O-N 2.67Å; R91-I94 PolarHBondContact O-N 3Å; R91-N95 VanDerWaalsContact O-CG 3.31Å; R91-N95 PolarHBondContact O-N 3.39Å; R91-N95 PolarHBondContact O-OD1 3.19Å
92K69.6Low60.4Low119 Ų11967.7 Ų67.752%0.51736%0.357SS..Hα-helixtrans-62.6-35.2175.4-171.3177.2-178.4175.60111.9L43 K88 T89 F90 K96L43-K92 HydrophobicContact CD2-CD 3.86Å; L43-K92 HydrophobicContact CD2-CG 4.11Å; K88-K92 VanDerWaalsContact O-CB 3.28Å; K88-K92 WeakPolarHBondContact O-CB 3.42Å; K88-K92 PolarHBondContact O-N 2.98Å; T89-K92 PolarHBondContact O-N 2.95Å; F90-K92 VanDerWaalsContact C-N 3.32Å; F90-K92 PolarHBondContact O-N 3.31Å; K92-K96 WeakPolarHBondContact O-CB 3.35Å; K92-K96 WeakPolarHBondContact O-CG 3.22Å; K92-K96 PolarHBondContact O-N 2.66Å; K92-K96 VanDerWaalsContact O-N 3.09Å
93A70Confident59.9Low0 Ų063 Ų630%034%0.339CS..Hα-helixtrans-68.7-44.6176.700000112.1L37 F38 A41 L43 T89 F90 R91 N95 K96 K97L37-A93 HydrophobicContact CD1-CB 4.48Å; L37-A93 HydrophobicContact CD2-CB 4.43Å; L37-A93 HydrophobicContact CG-CB 4.12Å; F38-A93 HydrophobicContact CD1-CB 3.66Å; F38-A93 HydrophobicContact CE1-CB 3.69Å; A41-A93 VanDerWaalsContact CB-CA 3.49Å; A41-A93 HydrophobicContact CB-CB 3.64Å; L43-A93 HydrophobicContact CD1-CB 3.98Å; T89-A93 WeakPolarHBondContact O-CB 3.2Å; T89-A93 PolarHBondContact O-N 3.25Å; F90-A93 WeakPolarHBondContact O-CB 3.32Å; F90-A93 PolarHBondContact O-N 2.82Å; R91-A93 VanDerWaalsContact C-N 3.27Å; R91-A93 PolarHBondContact O-N 2.67Å; A93-N95 PolarHBondContact O-N 2.95Å; A93-K96 PolarHBondContact O-N 3.26Å; A93-K97 PolarHBondContact O-N 3.32Å; A93-K97 VanDerWaalsContact O-N 3.15Å
94I69.1Low59Low3 Ų361 Ų612%0.01533%0.334CS..Hα-helixtrans-59.7-46.3175.4-63.9174.4000111A17 K20 V21 L37 F74 F90 R91 K96 K97A17-I94 HydrophobicContact CB-CG2 4.08Å; K20-I94 HydrophobicContact CD-CG2 4.19Å; V21-I94 HydrophobicContact CG2-CD1 4.1Å; V21-I94 HydrophobicContact CG2-CG1 3.97Å; L37-I94 HydrophobicContact CD1-CG1 4.18Å; L37-I94 HydrophobicContact CD2-CG1 3.88Å; F74-I94 HydrophobicContact CE2-CD1 4.27Å; F74-I94 HydrophobicContact CZ-CD1 4.09Å; F90-I94 HydrophobicContact CD1-CD1 4.1Å; F90-I94 HydrophobicContact CE1-CD1 3.71Å; F90-I94 HydrophobicContact CE2-CD1 4.24Å; F90-I94 HydrophobicContact CZ-CD1 3.81Å; F90-I94 WeakPolarHBondContact O-CG1 3.32Å; F90-I94 PolarHBondContact O-N 2.81Å; R91-I94 PolarHBondContact O-N 3Å; I94-K96 VanDerWaalsContact C-N 3.32Å; I94-K96 PolarHBondContact O-N 3.48Å; I94-K97 PolarHBondContact O-N 2.84Å
95N67.1Low57.6Low105 Ų10561 Ų6156%0.56135%0.346SS*.Hα-helixtrans-66.7-32.6179.8-67.6-3.8000112.6R91 A93 K97 E98R91-N95 VanDerWaalsContact O-CG 3.31Å; R91-N95 PolarHBondContact O-N 3.39Å; R91-N95 PolarHBondContact O-OD1 3.19Å; A93-N95 PolarHBondContact O-N 2.95Å; N95-K97 VanDerWaalsContact C-N 3.34Å; N95-E98 WeakPolarHBondContact O-CB 3.38Å; N95-E98 PolarHBondContact O-N 3.49Å
96K63.8Low56.2Low87 Ų8762 Ų6238%0.37836%0.357SS..Hα-helixtrans-75.1-19.8176.1-84.9-165174.7-164.30114.3A41 C42 L43 K92 A93 I94 E98 I100A41-K96 HydrophobicContact CB-CB 4.03Å; A41-K96 HydrophobicContact CB-CD 4.49Å; A41-K96 WeakPolarHBondContact O-CD 3.29Å; A41-K96 PolarHBondContact O-NZ 3.02Å; C42-K96 PolarHBondContact O-NZ 2.94Å; L43-K96 HydrophobicContact CD2-CD 4.13Å; K92-K96 WeakPolarHBondContact O-CB 3.35Å; K92-K96 WeakPolarHBondContact O-CG 3.22Å; K92-K96 PolarHBondContact O-N 2.66Å; K92-K96 VanDerWaalsContact O-N 3.09Å; A93-K96 PolarHBondContact O-N 3.26Å; I94-K96 VanDerWaalsContact C-N 3.32Å; I94-K96 PolarHBondContact O-N 3.48Å; K96-E98 PolarHBondContact O-N 3.04Å; K96-I100 WeakPolarHBondContact O-CD1 3.45Å
97K58.8Low54.8Low29 Ų2963.4 Ų63.413%0.12637%0.368CS..THydrogen-bonded Turntrans-73.9-7174.2-163.6173.8176.9-177.50112K20 L37 A93 I94 N95 G99 I100K20-K97 WeakPolarHBondContact O-CE 3.45Å; K20-K97 PolarHBondContact O-NZ 2.85Å; L37-K97 HydrophobicContact CD1-CB 4.27Å; L37-K97 HydrophobicContact CD1-CD 3.68Å; A93-K97 PolarHBondContact O-N 3.32Å; A93-K97 VanDerWaalsContact O-N 3.15Å; I94-K97 PolarHBondContact O-N 2.84Å; N95-K97 VanDerWaalsContact C-N 3.34Å; K97-G99 PolarHBondContact O-N 3.24Å; K97-I100 PolarHBondContact O-N 2.94Å
98E47.7Very low53.3Low118 Ų11872.6 Ų72.655%0.55141%0.409SS*.THydrogen-bonded Turntrans-66121.6173.5-160.1172-154.800110.9N95 K96N95-E98 WeakPolarHBondContact O-CB 3.38Å; N95-E98 PolarHBondContact O-N 3.49Å; K96-E98 PolarHBondContact O-N 3.04Å
99G48.8Very low51.8Low32 Ų3276 Ų7633%0.3343%0.427SS..THydrogen-bonded Turntrans934.5-179.300000116K97K97-G99 PolarHBondContact O-N 3.24Å
100I49Very low50.2Low54 Ų5477 Ų7728%0.27744%0.436SS..EExtended strand (participates in β ladder)trans-104.7107.5-176.3-65.9-172.9000109.7K96 K97 A102 S117K96-I100 WeakPolarHBondContact O-CD1 3.45Å; K97-I100 PolarHBondContact O-N 2.94Å; I100-A102 PolarHBondContact O-N 3.09Å; I100-S117 WeakPolarHBondContact CG2-OG 3.41Å
101C42.9Very low48.1Very low52 Ų5281.2 Ų81.235%0.35147%0.466SS..EExtended strand (participates in β ladder)trans-76.5117.6176.5-71.50000110.6S117 Y118C101-S117 WeakPolarHBondContact O-CA 3.17Å; C101-S117 VanDerWaalsContact O-CB 3.24Å; C101-S117 WeakPolarHBondContact O-CB 3.33Å; C101-Y118 HydrophobicContact CB-CD1 4.42Å; C101-Y118 HydrophobicContact CB-CE1 3.99Å; C101-Y118 PolarHBondContact N-O 3.03Å; C101-Y118 PolarHBondContact O-N 3.11Å
102A38Very low46Very low56 Ų5683.8 Ų83.846%0.46349%0.492SS..EExtended strand (participates in β ladder)trans-88.4132.3174.500000111I100I100-A102 PolarHBondContact O-N 3.09Å
103I38.1Very low44.1Very low85 Ų8581.1 Ų81.144%0.43650%0.499SS..EExtended strand (participates in β ladder)trans-117.2126.7170.5-58.6173.8000108.4H116 Y118 P221I103-H116 PolarHBondContact N-O 3.15Å; I103-Y118 HydrophobicContact CD1-CE1 4Å; I103-P221 HydrophobicContact CD1-CG 4.17Å
104G35.8Very low42.4Very low58 Ų5884.4 Ų84.460%0.59852%0.519SS*.  trans-72120.6169.300000110.5
105G34.5Very low40.8Very low58 Ų5887.8 Ų87.860%0.59854%0.535SS*.  trans-85.6137.5-177.700000113.5
106T32.7Very low39.9Very low146 Ų14685.9 Ų85.990%0.89652%0.522SS*.  trans-114.935.8176.555.80000113.5
107S36.4Very low39.4Very low60 Ų6083.8 Ų83.842%0.4252%0.518SS..  trans-110.1122.8178.356.80000112.5Q109S107-Q109 PolarHBondContact O-N 3.41Å; S107-Q109 VanDerWaalsContact O-N 3.09Å
108E34.2Very low39.9Very low202 Ų20283.6 Ų83.694%0.94452%0.517SS*.THydrogen-bonded Turntrans-69.60.7-171.8-66.2-175.1153.600116.1
109Q36.2Very low41.4Very low195 Ų19579 Ų7991%0.91150%0.498SS*.THydrogen-bonded Turntrans-121.9-0.7-175.9-79.8165.5-9.600115.3S107S107-Q109 PolarHBondContact O-N 3.41Å; S107-Q109 VanDerWaalsContact O-N 3.09Å
110S36.6Very low43Very low55 Ų5580.3 Ų80.339%0.38550%0.495SS..SBendtrans-98.1135.8162.6-580000107.2V112S110-V112 PolarHBondContact O-N 2.87Å
111S29.4Very low44.7Very low93 Ų9379.5 Ų79.565%0.6549%0.491SS*.  trans-35.8113.717743.40000111.8G113 T114S111-G113 PolarHBondContact O-N 3.25Å; S111-T114 PolarHBondContact O-OG1 3.14Å
112V26.6Very low46.8Very low152 Ų15278.6 Ų78.692%0.92148%0.481SS*.THydrogen-bonded Turntrans-33.7117-178.8178.90000111.1S110S110-V112 PolarHBondContact O-N 2.87Å
113G30.6Very low49.4Very low64 Ų6476.1 Ų76.166%0.6646%0.46SS*.THydrogen-bonded Turntrans94.214164.700000118.5S111 Q115S111-G113 PolarHBondContact O-N 3.25Å; G113-Q115 PolarHBondContact O-N 3.32Å
114T33.5Very low51.9Low69 Ų6976 Ų7642%0.42345%0.454SS..  trans-82.2107.2176.7-49.20000110.7S111 H116S111-T114 PolarHBondContact O-OG1 3.14Å; T114-H116 PolarHBondContact O-N 3.17Å
115Q36.5Very low54.5Low74 Ų7473.3 Ų73.335%0.34643%0.427SS..  trans-66121.3167.7-73.4-177.2-5.800108.9G113G113-Q115 PolarHBondContact O-N 3.32Å
116H48.2Very low57.4Low65 Ų6570.5 Ų70.530%0.30140%0.398SS..EExtended strand (participates in β ladder)trans-101.3131.8173.4-67.8-68.4000109.3I103 T114 Y222I103-H116 PolarHBondContact N-O 3.15Å; T114-H116 PolarHBondContact O-N 3.17Å; H116-Y222 HydrophobicContact CB-CD1 3.42Å; H116-Y222 VanDerWaalsContact CB-CD1 3.42Å; H116-Y222 HydrophobicContact CB-CD2 4.16Å; H116-Y222 HydrophobicContact CB-CE1 3.56Å; H116-Y222 HydrophobicContact CB-CE2 4.24Å; H116-Y222 HydrophobicContact CB-CG 3.77Å; H116-Y222 AromaticContact CD2-CE1 3.8Å; H116-Y222 AromaticContact CD2-CZ 3.51Å; H116-Y222 AromaticContact CE1-CE2 3.96Å; H116-Y222 AromaticContact CG-CD1 3.96Å; H116-Y222 AromaticContact CG-CE1 3.68Å; H116-Y222 AromaticContact CG-CE2 3.73Å; H116-Y222 AromaticContact CG-CZ 3.57Å; H116-Y222 AromaticContact ND1-CD2 3.98Å; H116-Y222 AromaticContact ND1-CE2 3.71Å; H116-Y222 AromaticContact NE2-CZ 3.93Å
117S53.5Low60.3Low43 Ų4363.6 Ų63.630%0.30136%0.355SS..EExtended strand (participates in β ladder)trans-123.1152.7-177.465.40000112.8I100 C101I100-S117 WeakPolarHBondContact CG2-OG 3.41Å; C101-S117 WeakPolarHBondContact O-CA 3.17Å; C101-S117 VanDerWaalsContact O-CB 3.24Å; C101-S117 WeakPolarHBondContact O-CB 3.33Å
118Y68.9Low63Low25 Ų2563.5 Ų63.510%0.09835%0.35CS..EExtended strand (participates in β ladder)trans-140.3159.6-176.973.6-85.3000112.1C101 I103 E120 K123 F154 P221 L225C101-Y118 HydrophobicContact CB-CD1 4.42Å; C101-Y118 HydrophobicContact CB-CE1 3.99Å; C101-Y118 PolarHBondContact N-O 3.03Å; C101-Y118 PolarHBondContact O-N 3.11Å; I103-Y118 HydrophobicContact CD1-CE1 4Å; Y118-E120 WeakPolarHBondContact CE2-OE1 3.41Å; Y118-E120 PolarHBondContact OH-OE1 3.19Å; Y118-K123 HydrophobicContact CE2-CD 4.45Å; Y118-F154 HydrophobicContact CD2-CZ 4.18Å; Y118-F154 HydrophobicContact CE2-CE2 4.07Å; Y118-F154 AromaticContact CE2-CZ 3.86Å; Y118-F154 HydrophobicContact CE2-CZ 3.86Å; Y118-P221 HydrophobicContact CD1-CB 3.36Å; Y118-P221 HydrophobicContact CD1-CG 4.11Å; Y118-P221 HydrophobicContact CD2-CB 4.09Å; Y118-P221 HydrophobicContact CE1-CB 3.62Å; Y118-P221 HydrophobicContact CE1-CG 3.93Å; Y118-P221 HydrophobicContact CE2-CB 4.3Å; Y118-P221 HydrophobicContact CG-CB 3.63Å; Y118-L225 HydrophobicContact CD2-CD1 3.47Å; Y118-L225 VanDerWaalsContact CD2-CD1 3.47Å; Y118-L225 HydrophobicContact CE2-CD1 4.41Å; Y118-L225 HydrophobicContact CG-CD1 4.03Å
119S79.9Confident65.7Low21 Ų2155.5 Ų55.515%0.14731%0.311CS..EExtended strand (participates in β ladder)trans-91.1124.9-178.9165.90000111E121 E122 K123S119-E121 VanDerWaalsContact C-N 3.31Å; S119-E121 PolarHBondContact OG-N 3.23Å; S119-E121 PolarHBondContact OG-OE2 3.44Å; S119-E122 PolarHBondContact O-N 3.38Å; S119-E122 PolarHBondContact OG-N 3.03Å; S119-E122 VanDerWaalsContact OG-N 3.13Å; S119-K123 PolarHBondContact O-N 3.36Å
120E81.4Confident68.6Low60 Ų6046.2 Ų46.228%0.2827%0.268SS..Hα-helixtrans-68.6-33.1174.4-76.6-71.7123.200111.4Y118 K123 Y124Y118-E120 WeakPolarHBondContact CE2-OE1 3.41Å; Y118-E120 PolarHBondContact OH-OE1 3.19Å; E120-K123 WeakPolarHBondContact O-CB 3.46Å; E120-K123 PolarHBondContact O-N 2.87Å; E120-K123 IonicContact OE1-NZ 2.67Å; E120-K123 PolarHBondContact OE1-NZ 3.27Å; E120-K123 VanDerWaalsContact OE2-CE 3.3Å; E120-K123 WeakPolarHBondContact OE2-CE 3.29Å; E120-K123 IonicContact OE2-NZ 3.85Å; E120-K123 PolarHBondContact OE2-NZ 3.5Å; E120-Y124 WeakPolarHBondContact O-CB 3.42Å; E120-Y124 PolarHBondContact O-N 3.21Å
121E85.3Confident71.4Confident37 Ų3744.7 Ų44.717%0.17326%0.256CS..Hα-helixtrans-63.3-44.4175.4-57.780.2-17600111.3S119 Y124 A125 D354 R357 L362S119-E121 VanDerWaalsContact C-N 3.31Å; S119-E121 PolarHBondContact OG-N 3.23Å; S119-E121 PolarHBondContact OG-OE2 3.44Å; E121-Y124 PolarHBondContact O-N 2.95Å; E121-A125 WeakPolarHBondContact O-CB 3.49Å; E121-A125 PolarHBondContact O-N 3.21Å; E121-D354 VanDerWaalsContact CB-OD1 3.26Å; E121-D354 WeakPolarHBondContact CB-OD1 3.32Å; E121-D354 WeakPolarHBondContact CG-OD1 3.25Å; E121-R357 IonicContact OE1-NH1 2.62Å; E121-R357 PolarHBondContact OE1-NH1 3.34Å; E121-L362 HydrophobicContact CB-CD1 3.96Å
122E87.2Confident74.4Confident33 Ų3346.3 Ų46.315%0.15425%0.251CS..Hα-helixtrans-62.2-44.4174.8-70.2-177.4176.100111.8S119 Y124 A125 F126 K361 L362S119-E122 PolarHBondContact O-N 3.38Å; S119-E122 PolarHBondContact OG-N 3.03Å; S119-E122 VanDerWaalsContact OG-N 3.13Å; E122-Y124 PolarHBondContact O-N 3.26Å; E122-A125 PolarHBondContact O-N 2.86Å; E122-F126 HydrophobicContact CB-CE2 4.1Å; E122-F126 HydrophobicContact CB-CZ 4.13Å; E122-F126 HydrophobicContact CG-CZ 4.46Å; E122-F126 WeakPolarHBondContact O-CB 3.39Å; E122-F126 WeakPolarHBondContact O-CD1 3.44Å; E122-F126 WeakPolarHBondContact O-CD2 3.41Å; E122-F126 WeakPolarHBondContact O-CG 3.41Å; E122-F126 PolarHBondContact O-N 3.18Å; E122-K361 HydrophobicContact CG-CD 4.2Å; E122-K361 WeakPolarHBondContact OE1-CD 3.33Å; E122-K361 WeakPolarHBondContact OE1-CE 3.4Å; E122-K361 IonicContact OE1-NZ 2.63Å; E122-K361 PolarHBondContact OE1-NZ 2.87Å; E122-K361 IonicContact OE2-NZ 2.72Å; E122-K361 PolarHBondContact OE2-NZ 3.5Å; E122-L362 HydrophobicContact CG-CD2 4.36Å
123K92.7Very high77.6Confident3 Ų340.9 Ų40.91%0.01322%0.222CC..Hα-helixtrans-57.7-50.1175.5-177-171.272-171.80111Y118 S119 E120 A125 F126 V127 P148 T150 L153 F154 L225Y118-K123 HydrophobicContact CE2-CD 4.45Å; S119-K123 PolarHBondContact O-N 3.36Å; E120-K123 WeakPolarHBondContact O-CB 3.46Å; E120-K123 PolarHBondContact O-N 2.87Å; E120-K123 IonicContact OE1-NZ 2.67Å; E120-K123 PolarHBondContact OE1-NZ 3.27Å; E120-K123 VanDerWaalsContact OE2-CE 3.3Å; E120-K123 WeakPolarHBondContact OE2-CE 3.29Å; E120-K123 IonicContact OE2-NZ 3.85Å; E120-K123 PolarHBondContact OE2-NZ 3.5Å; K123-A125 VanDerWaalsContact C-N 3.34Å; K123-A125 PolarHBondContact O-N 2.86Å; K123-F126 PolarHBondContact O-N 3.38Å; K123-V127 HydrophobicContact CG-CG2 4.47Å; K123-V127 WeakPolarHBondContact O-CB 3.28Å; K123-V127 WeakPolarHBondContact O-CG2 3.25Å; K123-V127 PolarHBondContact O-N 2.89Å; K123-P148 WeakPolarHBondContact CE-O 3.5Å; K123-T150 WeakPolarHBondContact CD-O 3.38Å; K123-T150 VanDerWaalsContact CE-O 3.28Å; K123-T150 WeakPolarHBondContact CE-O 3.5Å; K123-T150 PolarHBondContact NZ-O 3.45Å; K123-L153 HydrophobicContact CG-CD2 4.01Å; K123-F154 HydrophobicContact CD-CE2 3.74Å; K123-F154 HydrophobicContact CD-CZ 3.81Å; K123-F154 HydrophobicContact CG-CZ 4.16Å; K123-L225 HydrophobicContact CB-CD1 4.34Å; K123-L225 HydrophobicContact CB-CD2 4.13Å
124Y90.7Very high80.7Confident82 Ų8238.2 Ų38.232%0.32219%0.193SC..Hα-helixtrans-57.8-47.8179.9-176.1-85.9000111.5E120 E121 E122 N128 P148 T351E120-Y124 WeakPolarHBondContact O-CB 3.42Å; E120-Y124 PolarHBondContact O-N 3.21Å; E121-Y124 PolarHBondContact O-N 2.95Å; E122-Y124 PolarHBondContact O-N 3.26Å; Y124-N128 WeakPolarHBondContact CD1-ND2 3.47Å; Y124-N128 WeakPolarHBondContact CE1-ND2 3.43Å; Y124-N128 PolarHBondContact O-N 2.86Å; Y124-N128 PolarHBondContact O-ND2 3.15Å; Y124-N128 VanDerWaalsContact O-ND2 3.14Å; Y124-P148 HydrophobicContact CD2-CB 3.55Å; Y124-P148 HydrophobicContact CD2-CG 3.96Å; Y124-P148 HydrophobicContact CE2-CB 3.83Å; Y124-P148 HydrophobicContact CE2-CG 3.7Å; Y124-P148 HydrophobicContact CG-CB 4.08Å; Y124-T351 HydrophobicContact CD1-CG2 3.79Å; Y124-T351 HydrophobicContact CE1-CG2 3.59Å
125A90.1Very high83.6Confident2 Ų240.1 Ų40.12%0.01720%0.197CC..Hα-helixtrans-60.6-48177.800000112.7E121 E122 K123 N128 W129 F349 L362E121-A125 WeakPolarHBondContact O-CB 3.49Å; E121-A125 PolarHBondContact O-N 3.21Å; E122-A125 PolarHBondContact O-N 2.86Å; K123-A125 VanDerWaalsContact C-N 3.34Å; K123-A125 PolarHBondContact O-N 2.86Å; A125-N128 PolarHBondContact O-N 3.04Å; A125-W129 WeakPolarHBondContact O-CB 3.48Å; A125-W129 PolarHBondContact O-N 2.62Å; A125-F349 WeakPolarHBondContact CB-O 3.45Å; A125-L362 HydrophobicContact CB-CD1 4.25Å; A125-L362 HydrophobicContact CB-CD2 3.63Å
126F94.1Very high86.4Confident0 Ų043.1 Ų43.10%022%0.216CC..Hα-helixtrans-69-39.6-177.3-61.8-12.5000111.9E122 K123 N128 W129 I130 L225 L228 W229 I232 K361 L362E122-F126 HydrophobicContact CB-CE2 4.1Å; E122-F126 HydrophobicContact CB-CZ 4.13Å; E122-F126 HydrophobicContact CG-CZ 4.46Å; E122-F126 WeakPolarHBondContact O-CB 3.39Å; E122-F126 WeakPolarHBondContact O-CD1 3.44Å; E122-F126 WeakPolarHBondContact O-CD2 3.41Å; E122-F126 WeakPolarHBondContact O-CG 3.41Å; E122-F126 PolarHBondContact O-N 3.18Å; K123-F126 PolarHBondContact O-N 3.38Å; F126-N128 PolarHBondContact O-N 2.96Å; F126-W129 PolarHBondContact O-N 2.89Å; F126-I130 WeakPolarHBondContact O-CB 3.39Å; F126-I130 WeakPolarHBondContact O-CD1 3.37Å; F126-I130 WeakPolarHBondContact O-CG1 3.33Å; F126-I130 PolarHBondContact O-N 3.45Å; F126-L225 HydrophobicContact CD2-CD2 3.6Å; F126-L225 HydrophobicContact CE2-CB 4.39Å; F126-L225 HydrophobicContact CE2-CD2 4.06Å; F126-L228 HydrophobicContact CD2-CB 4.2Å; F126-W229 AromaticContact CE1-CE3 3.9Å; F126-W229 HydrophobicContact CE1-CE3 3.9Å; F126-W229 HydrophobicContact CE2-CB 4.03Å; F126-W229 HydrophobicContact CZ-CB 3.8Å; F126-W229 HydrophobicContact CZ-CD2 4.36Å; F126-W229 AromaticContact CZ-CE3 3.79Å; F126-W229 HydrophobicContact CZ-CE3 3.79Å; F126-W229 HydrophobicContact CZ-CG 4.39Å; F126-I232 HydrophobicContact CB-CD1 4.35Å; F126-I232 HydrophobicContact CD1-CD1 3.54Å; F126-I232 HydrophobicContact CD2-CD1 4.34Å; F126-I232 HydrophobicContact CE1-CD1 3.9Å; F126-I232 HydrophobicContact CG-CD1 3.81Å; F126-I232 HydrophobicContact CZ-CD1 4.44Å; F126-K361 HydrophobicContact CZ-CD 4.25Å; F126-L362 HydrophobicContact CE1-CD2 4.36Å
127V95.5Very high88.7Confident0 Ų041.5 Ų41.50%021%0.209CC..Hα-helixtrans-59.5-48.7175.5168.30000111.1K123 W129 I130 N131 M146 P148 L153K123-V127 HydrophobicContact CG-CG2 4.47Å; K123-V127 WeakPolarHBondContact O-CB 3.28Å; K123-V127 WeakPolarHBondContact O-CG2 3.25Å; K123-V127 PolarHBondContact O-N 2.89Å; V127-W129 VanDerWaalsContact C-N 3.3Å; V127-W129 PolarHBondContact O-N 3.33Å; V127-I130 PolarHBondContact O-N 3.37Å; V127-N131 WeakPolarHBondContact O-CB 3.49Å; V127-N131 VanDerWaalsContact O-CG 3.27Å; V127-N131 PolarHBondContact O-N 3.21Å; V127-M146 HydrophobicContact CG1-CB 3.73Å; V127-M146 HydrophobicContact CG1-CE 4.49Å; V127-P148 HydrophobicContact CB-CB 3.85Å; V127-P148 HydrophobicContact CG1-CB 3.69Å; V127-P148 HydrophobicContact CG1-CG 4.45Å; V127-L153 HydrophobicContact CG2-CB 3.67Å; V127-L153 HydrophobicContact CG2-CD1 4.1Å; V127-L153 HydrophobicContact CG2-CD2 4.09Å; V127-L153 HydrophobicContact CG2-CG 4.16Å
128N92.2Very high90.7Very high58 Ų5843.2 Ų43.231%0.3122%0.219SC..Hα-helixtrans-62.8-38.9179.5-74.1-35.5000112.2Y124 A125 F126 K132Y124-N128 WeakPolarHBondContact CD1-ND2 3.47Å; Y124-N128 WeakPolarHBondContact CE1-ND2 3.43Å; Y124-N128 PolarHBondContact O-N 2.86Å; Y124-N128 PolarHBondContact O-ND2 3.15Å; Y124-N128 VanDerWaalsContact O-ND2 3.14Å; A125-N128 PolarHBondContact O-N 3.04Å; F126-N128 PolarHBondContact O-N 2.96Å; N128-K132 PolarHBondContact O-N 2.92Å; N128-K132 VanDerWaalsContact O-N 3.11Å
129W91.8Very high92Very high34 Ų3443.8 Ų43.813%0.12922%0.224CC..Hα-helixtrans-66.3-46.6175.9-178.775.3000112.3A125 F126 V127 K132 A133 M166 L169 I232 F349A125-W129 WeakPolarHBondContact O-CB 3.48Å; A125-W129 PolarHBondContact O-N 2.62Å; F126-W129 PolarHBondContact O-N 2.89Å; V127-W129 VanDerWaalsContact C-N 3.3Å; V127-W129 PolarHBondContact O-N 3.33Å; W129-K132 PolarHBondContact O-N 3.38Å; W129-A133 VanDerWaalsContact O-CB 3.29Å; W129-A133 WeakPolarHBondContact O-CB 3.39Å; W129-A133 PolarHBondContact O-N 3.16Å; W129-M166 HydrophobicContact CD2-CE 4.47Å; W129-M166 HydrophobicContact CE3-CE 3.58Å; W129-M166 HydrophobicContact CH2-CE 3.21Å; W129-M166 HydrophobicContact CZ2-CE 4.14Å; W129-M166 HydrophobicContact CZ3-CE 2.86Å; W129-L169 HydrophobicContact CH2-CD2 3.72Å; W129-L169 HydrophobicContact CZ2-CD2 3.71Å; W129-I232 HydrophobicContact CD2-CG1 4.49Å; W129-I232 HydrophobicContact CE3-CD1 3.75Å; W129-I232 HydrophobicContact CE3-CG1 3.67Å; W129-I232 HydrophobicContact CH2-CG1 3.74Å; W129-I232 HydrophobicContact CZ3-CB 4.4Å; W129-I232 HydrophobicContact CZ3-CD1 3.78Å; W129-I232 HydrophobicContact CZ3-CG1 3.2Å; W129-F349 HydrophobicContact CB-CE1 4.02Å; W129-F349 HydrophobicContact CB-CZ 4.37Å; W129-F349 AromaticContact CD1-CE1 3.78Å; W129-F349 AromaticContact CD1-CE2 3.8Å; W129-F349 AromaticContact CD1-CZ 3.25Å; W129-F349 HydrophobicContact CD2-CE1 4.07Å; W129-F349 HydrophobicContact CD2-CZ 4.01Å; W129-F349 AromaticContact CE2-CZ 3.9Å; W129-F349 AromaticContact CG-CE1 3.67Å; W129-F349 HydrophobicContact CG-CE1 3.67Å; W129-F349 HydrophobicContact CG-CE2 4.49Å; W129-F349 AromaticContact CG-CZ 3.64Å; W129-F349 HydrophobicContact CG-CZ 3.64Å; W129-F349 AromaticContact NE1-CZ 3.42Å
130I95.7Very high92.7Very high0 Ų042.8 Ų42.80%022%0.217CC..Hα-helixtrans-61.9-45.7177.5-66.2162.4000110.7F126 V127 K132 A133 L134 I144 M146 L153 V162 M166 L228F126-I130 WeakPolarHBondContact O-CB 3.39Å; F126-I130 WeakPolarHBondContact O-CD1 3.37Å; F126-I130 WeakPolarHBondContact O-CG1 3.33Å; F126-I130 PolarHBondContact O-N 3.45Å; V127-I130 PolarHBondContact O-N 3.37Å; I130-K132 PolarHBondContact O-N 2.81Å; I130-A133 PolarHBondContact O-N 2.89Å; I130-L134 HydrophobicContact CG2-CD1 3.93Å; I130-L134 HydrophobicContact CG2-CG 4.33Å; I130-L134 WeakPolarHBondContact O-CB 3.28Å; I130-L134 PolarHBondContact O-N 3.5Å; I130-I144 HydrophobicContact CG2-CD1 3.93Å; I130-M146 HydrophobicContact CB-CE 3.76Å; I130-M146 HydrophobicContact CD1-CE 4.24Å; I130-M146 HydrophobicContact CG2-CE 3.41Å; I130-M146 VanDerWaalsContact CG2-CE 3.41Å; I130-L153 HydrophobicContact CD1-CD1 3.69Å; I130-V162 HydrophobicContact CG2-CG1 3.97Å; I130-M166 HydrophobicContact CG1-CE 4.01Å; I130-M166 HydrophobicContact CG1-CG 4.41Å; I130-M166 HydrophobicContact CG1-SD 4.19Å; I130-M166 HydrophobicContact CG2-SD 4.16Å; I130-L228 HydrophobicContact CD1-CD1 4.16Å; I130-L228 HydrophobicContact CD1-CD2 4.21Å
131N95.7Very high93.3Very high23 Ų2348.7 Ų48.712%0.12324%0.236CC..Hα-helixtrans-55.8-41.9176.6-78.5-16.1000111.5V127 E135 P145 M146V127-N131 WeakPolarHBondContact O-CB 3.49Å; V127-N131 VanDerWaalsContact O-CG 3.27Å; V127-N131 PolarHBondContact O-N 3.21Å; N131-E135 WeakPolarHBondContact O-CA 3.37Å; N131-E135 WeakPolarHBondContact O-CB 3.48Å; N131-E135 PolarHBondContact O-N 3.09Å; N131-E135 VanDerWaalsContact O-N 3.13Å; N131-P145 WeakPolarHBondContact OD1-CA 3.4Å; N131-M146 PolarHBondContact ND2-N 3.48Å; N131-M146 PolarHBondContact ND2-O 2.94Å; N131-M146 PolarHBondContact OD1-N 2.84Å
132K92.3Very high93.7Very high127 Ų12752.1 Ų52.155%0.55225%0.252SS*.Hα-helixtrans-72.8-42178.9-173.762.1-169.5163.40112.5N128 W129 I130 E135N128-K132 PolarHBondContact O-N 2.92Å; N128-K132 VanDerWaalsContact O-N 3.11Å; W129-K132 PolarHBondContact O-N 3.38Å; I130-K132 PolarHBondContact O-N 2.81Å; K132-E135 IonicContact NZ-OE2 3.3Å; K132-E135 PolarHBondContact NZ-OE2 2.73Å
133A93.1Very high94.1Very high39 Ų3952 Ų5232%0.32225%0.254SS..Hα-helixtrans-69.5-36.4-17700000113W129 I130 M166 L169W129-A133 VanDerWaalsContact O-CB 3.29Å; W129-A133 WeakPolarHBondContact O-CB 3.39Å; W129-A133 PolarHBondContact O-N 3.16Å; I130-A133 PolarHBondContact O-N 2.89Å; A133-M166 HydrophobicContact CB-CE 4.18Å; A133-L169 HydrophobicContact CB-CD2 3.54Å
134L95.8Very high94.2Very high8 Ų853 Ų534%0.04226%0.259CS..THydrogen-bonded Turntrans-106.213.6-177.3-57.4-173.6000113.3I130 N136 D137 C140 I144 V162 K165 M166I130-L134 HydrophobicContact CG2-CD1 3.93Å; I130-L134 HydrophobicContact CG2-CG 4.33Å; I130-L134 WeakPolarHBondContact O-CB 3.28Å; I130-L134 PolarHBondContact O-N 3.5Å; L134-N136 PolarHBondContact O-N 3Å; L134-N136 VanDerWaalsContact O-N 3.08Å; L134-D137 HydrophobicContact CB-CB 4.27Å; L134-D137 HydrophobicContact CD2-CB 4.39Å; L134-D137 PolarHBondContact O-N 3.09Å; L134-C140 HydrophobicContact CD1-CB 4.33Å; L134-I144 HydrophobicContact CB-CG1 4.29Å; L134-V162 HydrophobicContact CD1-CG1 4.22Å; L134-K165 HydrophobicContact CD1-CB 4.1Å; L134-K165 HydrophobicContact CD2-CB 3.98Å; L134-M166 HydrophobicContact CD1-SD 3.51Å; L134-M166 VanDerWaalsContact CD1-SD 3.51Å; L134-M166 HydrophobicContact CD2-SD 4.01Å; L134-M166 HydrophobicContact CG-SD 3.73Å
135E95.1Very high94.5Very high108 Ų10854.4 Ų54.451%0.50528%0.278SS..THydrogen-bonded Turntrans-50.3-38.3-177.5-174.7176.4-179.200112.5N131 K132N131-E135 WeakPolarHBondContact O-CA 3.37Å; N131-E135 WeakPolarHBondContact O-CB 3.48Å; N131-E135 PolarHBondContact O-N 3.09Å; N131-E135 VanDerWaalsContact O-N 3.13Å; K132-E135 IonicContact NZ-OE2 3.3Å; K132-E135 PolarHBondContact NZ-OE2 2.73Å
136N94.9Very high94.9Very high138 Ų13854.6 Ų54.674%0.73828%0.279SS*.THydrogen-bonded Turntrans-104.92.6-176.2-63.8-54.1000113.9L134L134-N136 PolarHBondContact O-N 3Å; L134-N136 VanDerWaalsContact O-N 3.08Å
137D96.3Very high94.9Very high30 Ų3058 Ų5816%0.1630%0.297CS..  trans-74.9122.3-178.2-170.4-70.7000110.5L134 D139 C140 R141 K165L134-D137 HydrophobicContact CB-CB 4.27Å; L134-D137 HydrophobicContact CD2-CB 4.39Å; L134-D137 PolarHBondContact O-N 3.09Å; D137-D139 VanDerWaalsContact C-N 3.28Å; D137-D139 PolarHBondContact O-N 3.24Å; D137-D139 WeakPolarHBondContact OD1-CA 3.4Å; D137-D139 WeakPolarHBondContact OD1-CB 3.45Å; D137-D139 PolarHBondContact OD1-N 3.4Å; D137-C140 HydrophobicContact CB-CB 4.47Å; D137-C140 PolarHBondContact O-N 3.26Å; D137-C140 PolarHBondContact OD1-N 3.09Å; D137-R141 WeakPolarHBondContact O-CG 3.26Å; D137-K165 IonicContact OD1-NZ 3.76Å; D137-K165 PolarHBondContact OD1-NZ 3.48Å; D137-K165 WeakPolarHBondContact OD2-CD 3.49Å; D137-K165 WeakPolarHBondContact OD2-CE 3.36Å; D137-K165 IonicContact OD2-NZ 3.5Å; D137-K165 PolarHBondContact OD2-NZ 2.79Å
138P95.6Very high94.7Very high79 Ų7958.8 Ų58.851%0.51330%0.302SS..THydrogen-bonded Turntrans-68.8-24.9-175.928.4-35.3000113.6
139D95.7Very high94.7Very high37 Ų3761.5 Ų61.520%0.19832%0.317CS..THydrogen-bonded Turntrans-84.9-15.6-175-55.6-44000112.4D137 H142 I161 K165 K182D137-D139 VanDerWaalsContact C-N 3.28Å; D137-D139 PolarHBondContact O-N 3.24Å; D137-D139 WeakPolarHBondContact OD1-CA 3.4Å; D137-D139 WeakPolarHBondContact OD1-CB 3.45Å; D137-D139 PolarHBondContact OD1-N 3.4Å; D139-H142 PolarHBondContact O-CE1 3.48Å; D139-H142 PolarHBondContact O-ND1 3.2Å; D139-I161 HydrophobicContact CB-CG2 4.21Å; D139-K165 VanDerWaalsContact OD2-CE 3.32Å; D139-K165 WeakPolarHBondContact OD2-CE 3.44Å; D139-K165 IonicContact OD2-NZ 2.81Å; D139-K165 PolarHBondContact OD2-NZ 3.13Å; D139-K182 HydrophobicContact CB-CD 4.46Å; D139-K182 WeakPolarHBondContact OD1-CD 3.33Å; D139-K182 IonicContact OD1-NZ 3.18Å; D139-K182 WeakPolarHBondContact OD2-CE 3.25Å; D139-K182 IonicContact OD2-NZ 2.72Å; D139-K182 PolarHBondContact OD2-NZ 3.21Å
140C95.8Very high94.7Very high0 Ų062 Ų620%032%0.324CS..SBendtrans-104.64179.8-65.50000114.2L134 D137 H142 V143 I144L134-C140 HydrophobicContact CD1-CB 4.33Å; D137-C140 HydrophobicContact CB-CB 4.47Å; D137-C140 PolarHBondContact O-N 3.26Å; D137-C140 PolarHBondContact OD1-N 3.09Å; C140-H142 PolarHBondContact O-N 3.14Å; C140-H142 VanDerWaalsContact O-N 3.08Å; C140-V143 HydrophobicContact CB-CG2 4.46Å; C140-V143 WeakPolarHBondContact O-CG2 3.17Å; C140-V143 PolarHBondContact O-N 2.97Å; C140-I144 HydrophobicContact CB-CG1 3.82Å; C140-I144 WeakPolarHBondContact O-CG1 3.45Å; C140-I144 PolarHBondContact O-N 3.34Å
141R94.3Very high94.6Very high184 Ų18466 Ų6669%0.69435%0.345SS*.THydrogen-bonded Turntrans-60.3-20.9-177.2-68.8-177.9179.41752.5114.9D137 V143D137-R141 WeakPolarHBondContact O-CG 3.26Å; R141-V143 VanDerWaalsContact C-N 3.27Å
142H93.7Very high94.6Very high109 Ų10968.1 Ų68.151%0.50536%0.356SS..THydrogen-bonded Turntrans-76.2-15.1177.961.8-62.9000113.2D139 C140 D159D139-H142 PolarHBondContact O-CE1 3.48Å; D139-H142 PolarHBondContact O-ND1 3.2Å; C140-H142 PolarHBondContact O-N 3.14Å; C140-H142 VanDerWaalsContact O-N 3.08Å; H142-D159 IonicContact CD2-OD2 3.63Å; H142-D159 IonicContact CE1-OD2 2.7Å; H142-D159 IonicContact NE2-OD2 2.91Å; H142-D159 PolarHBondContact NE2-OD2 3.44Å
143V95.3Very high94.8Very high32 Ų3262.1 Ų62.119%0.19433%0.33CS..THydrogen-bonded Turntrans-126.6-18.5-178.3-67.80000114C140 R141 P145 M146 A156 V162C140-V143 HydrophobicContact CB-CG2 4.46Å; C140-V143 WeakPolarHBondContact O-CG2 3.17Å; C140-V143 PolarHBondContact O-N 2.97Å; R141-V143 VanDerWaalsContact C-N 3.27Å; V143-P145 CarbonylContact O-C 3.3Å; V143-M146 WeakPolarHBondContact O-CG 3.36Å; V143-M146 PolarHBondContact O-N 3.3Å; V143-A156 HydrophobicContact CB-CB 3.78Å; V143-A156 HydrophobicContact CG1-CB 3.91Å; V143-A156 HydrophobicContact CG2-CB 4.25Å; V143-V162 HydrophobicContact CG2-CG2 3.73Å
144I95.5Very high94.9Very high23 Ų2360.6 Ų60.612%0.11832%0.316CS..PPolyproline II helixtrans-98.3132.4178-56.7-59.2000110.4I130 L134 C140 M146I130-I144 HydrophobicContact CG2-CD1 3.93Å; L134-I144 HydrophobicContact CB-CG1 4.29Å; C140-I144 HydrophobicContact CB-CG1 3.82Å; C140-I144 WeakPolarHBondContact O-CG1 3.45Å; C140-I144 PolarHBondContact O-N 3.34Å; I144-M146 HydrophobicContact CD1-CE 3.64Å; I144-M146 HydrophobicContact CD1-CG 4.32Å
145P96.7Very high94.9Very high111 Ų11166 Ų6672%0.72135%0.345SS*.SBendcis-83.4138.50.233-34000113.5N131 V143N131-P145 WeakPolarHBondContact OD1-CA 3.4Å; V143-P145 CarbonylContact O-C 3.3Å
146M97.1Very high95Very high7 Ų761 Ų613%0.03432%0.323CS..PPolyproline II helixtrans-81.5149.2170.8-63.3173.6-78.400111.2V127 I130 N131 V143 I144 P148 D152 L153 A156V127-M146 HydrophobicContact CG1-CB 3.73Å; V127-M146 HydrophobicContact CG1-CE 4.49Å; I130-M146 HydrophobicContact CB-CE 3.76Å; I130-M146 HydrophobicContact CD1-CE 4.24Å; I130-M146 HydrophobicContact CG2-CE 3.41Å; I130-M146 VanDerWaalsContact CG2-CE 3.41Å; N131-M146 PolarHBondContact ND2-N 3.48Å; N131-M146 PolarHBondContact ND2-O 2.94Å; N131-M146 PolarHBondContact OD1-N 2.84Å; V143-M146 WeakPolarHBondContact O-CG 3.36Å; V143-M146 PolarHBondContact O-N 3.3Å; I144-M146 HydrophobicContact CD1-CE 3.64Å; I144-M146 HydrophobicContact CD1-CG 4.32Å; M146-P148 WeakPolarHBondContact O-CD 3.44Å; M146-D152 HydrophobicContact CB-CB 3.97Å; M146-D152 HydrophobicContact CG-CB 4.31Å; M146-L153 HydrophobicContact CE-CD1 4.21Å; M146-L153 HydrophobicContact SD-CB 4.43Å; M146-L153 HydrophobicContact SD-CD1 3.98Å; M146-A156 HydrophobicContact CG-CB 4.11Å; M146-A156 HydrophobicContact SD-CB 3.51Å; M146-A156 VanDerWaalsContact SD-CB 3.51Å
147N95.2Very high95.1Very high71 Ų7154.5 Ų54.538%0.3829%0.288SS..PPolyproline II helixtrans-84.9116.4172.1-176.4-15.5000111.4N149 T150 D152N147-N149 PolarHBondContact O-N 3.31Å; N147-N149 VanDerWaalsContact O-N 3.15Å; N147-N149 PolarHBondContact OD1-N 2.96Å; N147-N149 PolarHBondContact OD1-ND2 3.41Å; N147-T150 HydrophobicContact CB-CG2 3.96Å; N147-T150 PolarHBondContact O-N 3.38Å; N147-T150 VanDerWaalsContact O-N 3.14Å; N147-T150 PolarHBondContact O-OG1 2.91Å; N147-D152 WeakPolarHBondContact CB-OD2 3.36Å; N147-D152 PolarHBondContact N-OD2 2.85Å
148P91.9Very high95.1Very high16 Ų1653.5 Ų53.510%0.10429%0.285CS..THydrogen-bonded Turntrans-66.7-17.4-175.629.4-37.8000114.2K123 Y124 V127 M146 T150K123-P148 WeakPolarHBondContact CE-O 3.5Å; Y124-P148 HydrophobicContact CD2-CB 3.55Å; Y124-P148 HydrophobicContact CD2-CG 3.96Å; Y124-P148 HydrophobicContact CE2-CB 3.83Å; Y124-P148 HydrophobicContact CE2-CG 3.7Å; Y124-P148 HydrophobicContact CG-CB 4.08Å; V127-P148 HydrophobicContact CB-CB 3.85Å; V127-P148 HydrophobicContact CG1-CB 3.69Å; V127-P148 HydrophobicContact CG1-CG 4.45Å; M146-P148 WeakPolarHBondContact O-CD 3.44Å; P148-T150 VanDerWaalsContact C-N 3.32Å
149N90.4Very high95.1Very high115 Ų11550.7 Ų50.762%0.61527%0.265SS*.THydrogen-bonded Turntrans-88.71.4179.1-57.3-68.6000113.2N147N147-N149 PolarHBondContact O-N 3.31Å; N147-N149 VanDerWaalsContact O-N 3.15Å; N147-N149 PolarHBondContact OD1-N 2.96Å; N147-N149 PolarHBondContact OD1-ND2 3.41Å
150T93.1Very high95.2Very high45 Ų4548.9 Ų48.928%0.27626%0.256SS..SBendtrans-120.8-174.5-176.5700000110.9K123 N147 P148 D152K123-T150 WeakPolarHBondContact CD-O 3.38Å; K123-T150 VanDerWaalsContact CE-O 3.28Å; K123-T150 WeakPolarHBondContact CE-O 3.5Å; K123-T150 PolarHBondContact NZ-O 3.45Å; N147-T150 HydrophobicContact CB-CG2 3.96Å; N147-T150 PolarHBondContact O-N 3.38Å; N147-T150 VanDerWaalsContact O-N 3.14Å; N147-T150 PolarHBondContact O-OG1 2.91Å; P148-T150 VanDerWaalsContact C-N 3.32Å; T150-D152 VanDerWaalsContact C-N 3.29Å; T150-D152 WeakPolarHBondContact OG1-CB 3.28Å; T150-D152 PolarHBondContact OG1-N 2.78Å; T150-D152 PolarHBondContact OG1-OD1 3.07Å; T150-D152 PolarHBondContact OG1-OD2 3.39Å
151N92.4Very high95.3Very high85 Ų8549 Ų4946%0.45526%0.256SS..SBendtrans-91.714.9174.8-70.2-14.7000112.8L153 F154 N155N151-L153 PolarHBondContact O-N 3.19Å; N151-L153 VanDerWaalsContact O-N 3.15Å; N151-F154 HydrophobicContact CB-CD2 3.88Å; N151-F154 PolarHBondContact O-N 3.32Å; N151-N155 PolarHBondContact O-N 3.41Å
152D96.6Very high95.5Very high67 Ų6740.2 Ų40.236%0.35822%0.223SC..Hα-helixtrans-51-39.6179.6-74.4-6.7000112.5M146 N147 T150 F154 N155 A156M146-D152 HydrophobicContact CB-CB 3.97Å; M146-D152 HydrophobicContact CG-CB 4.31Å; N147-D152 WeakPolarHBondContact CB-OD2 3.36Å; N147-D152 PolarHBondContact N-OD2 2.85Å; T150-D152 VanDerWaalsContact C-N 3.29Å; T150-D152 WeakPolarHBondContact OG1-CB 3.28Å; T150-D152 PolarHBondContact OG1-N 2.78Å; T150-D152 PolarHBondContact OG1-OD1 3.07Å; T150-D152 PolarHBondContact OG1-OD2 3.39Å; D152-F154 VanDerWaalsContact C-N 3.3Å; D152-F154 PolarHBondContact O-N 3.38Å; D152-N155 PolarHBondContact O-N 3.39Å; D152-A156 WeakPolarHBondContact O-CB 3.33Å; D152-A156 PolarHBondContact O-N 3.3Å
153L96.8Very high95.7Very high0 Ų035.2 Ų35.20%020%0.2CC..Hα-helixtrans-52.1-48.1176.9-178.362.3000112.6K123 V127 I130 M146 N151 N155 A156 V157 V224 L225 L228K123-L153 HydrophobicContact CG-CD2 4.01Å; V127-L153 HydrophobicContact CG2-CB 3.67Å; V127-L153 HydrophobicContact CG2-CD1 4.1Å; V127-L153 HydrophobicContact CG2-CD2 4.09Å; V127-L153 HydrophobicContact CG2-CG 4.16Å; I130-L153 HydrophobicContact CD1-CD1 3.69Å; M146-L153 HydrophobicContact CE-CD1 4.21Å; M146-L153 HydrophobicContact SD-CB 4.43Å; M146-L153 HydrophobicContact SD-CD1 3.98Å; N151-L153 PolarHBondContact O-N 3.19Å; N151-L153 VanDerWaalsContact O-N 3.15Å; L153-N155 VanDerWaalsContact C-N 3.29Å; L153-N155 PolarHBondContact O-N 3.21Å; L153-A156 PolarHBondContact O-N 2.89Å; L153-V157 HydrophobicContact CD1-CG1 4.32Å; L153-V157 WeakPolarHBondContact O-CG1 3.36Å; L153-V157 PolarHBondContact O-N 3.3Å; L153-V224 HydrophobicContact CG-CG1 4.49Å; L153-L225 HydrophobicContact CD2-CD2 3.63Å; L153-L228 HydrophobicContact CD1-CD1 3.93Å; L153-L228 HydrophobicContact CD2-CD1 4.06Å; L153-L228 HydrophobicContact CG-CD1 4.32Å
154F95.8Very high95.9Very high8 Ų833.7 Ų33.74%0.03519%0.191CC..Hα-helixtrans-70-31.2-173.1-57.6-47.7000111.9Y118 K123 N151 D152 V157 G219 P221 V224 L225Y118-F154 HydrophobicContact CD2-CZ 4.18Å; Y118-F154 HydrophobicContact CE2-CE2 4.07Å; Y118-F154 AromaticContact CE2-CZ 3.86Å; Y118-F154 HydrophobicContact CE2-CZ 3.86Å; K123-F154 HydrophobicContact CD-CE2 3.74Å; K123-F154 HydrophobicContact CD-CZ 3.81Å; K123-F154 HydrophobicContact CG-CZ 4.16Å; N151-F154 HydrophobicContact CB-CD2 3.88Å; N151-F154 PolarHBondContact O-N 3.32Å; D152-F154 VanDerWaalsContact C-N 3.3Å; D152-F154 PolarHBondContact O-N 3.38Å; F154-V157 WeakPolarHBondContact O-CG2 3.37Å; F154-G219 WeakPolarHBondContact CB-O 3.46Å; F154-G219 VanDerWaalsContact O-CA 3.32Å; F154-G219 WeakPolarHBondContact O-CA 3.23Å; F154-P221 HydrophobicContact CD1-CB 4.23Å; F154-P221 HydrophobicContact CD1-CG 4.35Å; F154-P221 HydrophobicContact CD2-CB 4.45Å; F154-P221 HydrophobicContact CD2-CG 4.05Å; F154-P221 VanDerWaalsContact CE1-CA 3.44Å; F154-P221 HydrophobicContact CE1-CB 3.69Å; F154-P221 HydrophobicContact CE1-CG 4.24Å; F154-P221 HydrophobicContact CE2-CB 3.92Å; F154-P221 HydrophobicContact CE2-CG 3.9Å; F154-P221 HydrophobicContact CG-CG 4.29Å; F154-P221 HydrophobicContact CZ-CB 3.52Å; F154-P221 HydrophobicContact CZ-CG 4.01Å; F154-V224 HydrophobicContact CD1-CB 4.06Å; F154-V224 HydrophobicContact CD1-CG1 4.01Å; F154-V224 HydrophobicContact CD1-CG2 4.42Å; F154-V224 HydrophobicContact CE1-CB 4.34Å; F154-V224 HydrophobicContact CE1-CG1 4.32Å; F154-L225 HydrophobicContact CE1-CD1 4.24Å; F154-L225 HydrophobicContact CE1-CD2 4.33Å; F154-L225 HydrophobicContact CE1-CG 3.98Å; F154-L225 HydrophobicContact CZ-CD1 4.12Å; F154-L225 HydrophobicContact CZ-CG 4.35Å
155N95.4Very high96Very high120 Ų12033 Ų3364%0.64219%0.187SC*.Hα-helixtrans-77-41.3172.9-62.1-39.6000111.5N151 D152 L153 V157 G158N151-N155 PolarHBondContact O-N 3.41Å; D152-N155 PolarHBondContact O-N 3.39Å; L153-N155 VanDerWaalsContact C-N 3.29Å; L153-N155 PolarHBondContact O-N 3.21Å; N155-V157 VanDerWaalsContact C-N 3.29Å; N155-V157 PolarHBondContact O-N 3.45Å; N155-G158 PolarHBondContact O-N 2.86Å; N155-G158 VanDerWaalsContact O-N 3.1Å
156A96.7Very high96Very high5 Ų527.8 Ų27.84%0.04115%0.153CC..Hα-helixtrans-65.5-29.1-175.200000113.6V143 M146 D152 L153 G158V143-A156 HydrophobicContact CB-CB 3.78Å; V143-A156 HydrophobicContact CG1-CB 3.91Å; V143-A156 HydrophobicContact CG2-CB 4.25Å; M146-A156 HydrophobicContact CG-CB 4.11Å; M146-A156 HydrophobicContact SD-CB 3.51Å; M146-A156 VanDerWaalsContact SD-CB 3.51Å; D152-A156 WeakPolarHBondContact O-CB 3.33Å; D152-A156 PolarHBondContact O-N 3.3Å; L153-A156 PolarHBondContact O-N 2.89Å; A156-G158 VanDerWaalsContact C-N 3.33Å
157V96.7Very high96.1Very high0 Ų027.6 Ų27.60%015%0.152CC..THydrogen-bonded Turntrans-80.9-13.9176.1-62.10000113.6L153 F154 N155 D159 G160 V162 L163 V224L153-V157 HydrophobicContact CD1-CG1 4.32Å; L153-V157 WeakPolarHBondContact O-CG1 3.36Å; L153-V157 PolarHBondContact O-N 3.3Å; F154-V157 WeakPolarHBondContact O-CG2 3.37Å; N155-V157 VanDerWaalsContact C-N 3.29Å; N155-V157 PolarHBondContact O-N 3.45Å; V157-D159 PolarHBondContact O-N 2.93Å; V157-D159 VanDerWaalsContact O-N 3.17Å; V157-G160 PolarHBondContact O-N 3.01Å; V157-V162 HydrophobicContact CG1-CG1 4.45Å; V157-L163 HydrophobicContact CB-CD1 4.23Å; V157-L163 HydrophobicContact CB-CD2 4.36Å; V157-L163 HydrophobicContact CB-CG 4.06Å; V157-L163 HydrophobicContact CG1-CD2 4.12Å; V157-L163 HydrophobicContact CG1-CG 4.23Å; V157-V224 HydrophobicContact CG1-CG1 4.18Å; V157-V224 HydrophobicContact CG2-CB 4.46Å; V157-V224 HydrophobicContact CG2-CG1 3.78Å; V157-V224 HydrophobicContact CG2-CG2 3.77Å
158G96.2Very high96.2Very high10 Ų1025.3 Ų25.310%0.10314%0.14CC..THydrogen-bonded Turntrans-66.8-18-169.300000114.8N155 A156 I190N155-G158 PolarHBondContact O-N 2.86Å; N155-G158 VanDerWaalsContact O-N 3.1Å; A156-G158 VanDerWaalsContact C-N 3.33Å; G158-I190 WeakPolarHBondContact O-CG2 3.43Å
159D96.3Very high96.3Very high19 Ų1928.4 Ų28.410%0.10216%0.155CC..THydrogen-bonded Turntrans-91.5-6.8174.471.713000114.2H142 V157 I161 L185 N193H142-D159 IonicContact CD2-OD2 3.63Å; H142-D159 IonicContact CE1-OD2 2.7Å; H142-D159 IonicContact NE2-OD2 2.91Å; H142-D159 PolarHBondContact NE2-OD2 3.44Å; V157-D159 PolarHBondContact O-N 2.93Å; V157-D159 VanDerWaalsContact O-N 3.17Å; D159-I161 VanDerWaalsContact C-N 3.28Å; D159-I161 PolarHBondContact O-N 2.78Å; D159-I161 WeakPolarHBondContact OD1-CB 3.45Å; D159-I161 PolarHBondContact OD1-N 3.32Å; D159-L185 HydrophobicContact CB-CD1 3.69Å; D159-N193 WeakPolarHBondContact O-CB 3.27Å; D159-N193 PolarHBondContact O-ND2 2.81Å
160G97.6Very high96.6Very high0 Ų023.3 Ų23.30%013%0.129CC..SBendtrans76.4-5.1-179.900000116.5V157 C164V157-G160 PolarHBondContact O-N 3.01Å; G160-C164 PolarHBondContact O-N 2.8Å; G160-C164 VanDerWaalsContact O-N 3.11Å; G160-C164 PolarHBondContact O-SG 2.86Å
161I98.3Very high96.6Very high1 Ų123.3 Ų23.31%0.00513%0.128CC..Hα-helixtrans-68.4-51.2-176.3-61.4177000110.3D139 D159 L163 C164 K165 I180 L185D139-I161 HydrophobicContact CB-CG2 4.21Å; D159-I161 VanDerWaalsContact C-N 3.28Å; D159-I161 PolarHBondContact O-N 2.78Å; D159-I161 WeakPolarHBondContact OD1-CB 3.45Å; D159-I161 PolarHBondContact OD1-N 3.32Å; I161-L163 VanDerWaalsContact C-N 3.28Å; I161-L163 PolarHBondContact O-N 3.02Å; I161-C164 PolarHBondContact O-N 3.02Å; I161-C164 VanDerWaalsContact O-N 3.17Å; I161-K165 HydrophobicContact CG2-CG 4.46Å; I161-K165 WeakPolarHBondContact O-CG 3.2Å; I161-K165 PolarHBondContact O-N 2.63Å; I161-I180 HydrophobicContact CG1-CG2 4.15Å; I161-L185 HydrophobicContact CD1-CD1 4.2Å
162V98.1Very high96.7Very high0 Ų024 Ų240%014%0.137CC..Hα-helixtrans-56.1-45.4179175.20000110.5I130 L134 V143 V157 C164 K165 M166I130-V162 HydrophobicContact CG2-CG1 3.97Å; L134-V162 HydrophobicContact CD1-CG1 4.22Å; V143-V162 HydrophobicContact CG2-CG2 3.73Å; V157-V162 HydrophobicContact CG1-CG1 4.45Å; V162-C164 PolarHBondContact O-N 2.82Å; V162-K165 PolarHBondContact O-N 2.99Å; V162-M166 HydrophobicContact CG1-CG 4.19Å; V162-M166 VanDerWaalsContact O-CG 3.26Å; V162-M166 WeakPolarHBondContact O-CG 3.33Å; V162-M166 PolarHBondContact O-N 2.66Å
163L98.2Very high96.5Very high5 Ų526 Ų263%0.02615%0.148CC..Hα-helixtrans-61.6-43.9179.3-66.6174.3000112.3V157 I161 K165 M166 I167 L194 A197 L216 L227 L228V157-L163 HydrophobicContact CB-CD1 4.23Å; V157-L163 HydrophobicContact CB-CD2 4.36Å; V157-L163 HydrophobicContact CB-CG 4.06Å; V157-L163 HydrophobicContact CG1-CD2 4.12Å; V157-L163 HydrophobicContact CG1-CG 4.23Å; I161-L163 VanDerWaalsContact C-N 3.28Å; I161-L163 PolarHBondContact O-N 3.02Å; L163-K165 VanDerWaalsContact C-N 3.32Å; L163-K165 PolarHBondContact O-N 3.34Å; L163-M166 PolarHBondContact O-N 2.63Å; L163-I167 WeakPolarHBondContact O-CD1 3.24Å; L163-I167 VanDerWaalsContact O-CG1 3.28Å; L163-I167 WeakPolarHBondContact O-CG1 3.3Å; L163-I167 PolarHBondContact O-N 3.44Å; L163-L194 HydrophobicContact CD1-CD2 4.21Å; L163-A197 HydrophobicContact CB-CB 3.81Å; L163-A197 HydrophobicContact CD1-CB 4.49Å; L163-L216 HydrophobicContact CD1-CD1 3.8Å; L163-L227 HydrophobicContact CD1-CD2 4.5Å; L163-L227 HydrophobicContact CD2-CD2 4.41Å; L163-L228 HydrophobicContact CD2-CD2 3.82Å; L163-L228 HydrophobicContact CD2-CG 4.28Å
164C98.5Very high96.4Very high0 Ų026.7 Ų26.70%015%0.153CC..Hα-helixtrans-61-42.7176.6-68.10000111.6G160 I161 V162 I167 N168 I175 I180G160-C164 PolarHBondContact O-N 2.8Å; G160-C164 VanDerWaalsContact O-N 3.11Å; G160-C164 PolarHBondContact O-SG 2.86Å; I161-C164 PolarHBondContact O-N 3.02Å; I161-C164 VanDerWaalsContact O-N 3.17Å; V162-C164 PolarHBondContact O-N 2.82Å; C164-I167 PolarHBondContact O-N 3.35Å; C164-N168 PolarHBondContact O-N 2.72Å; C164-N168 VanDerWaalsContact O-N 3.17Å; C164-I175 HydrophobicContact CB-CD1 3.8Å; C164-I180 HydrophobicContact CB-CD1 3.62Å; C164-I180 HydrophobicContact CB-CG1 4.17Å
165K98Very high96.6Very high8 Ų826.5 Ų26.54%0.03515%0.152CC..Hα-helixtrans-65.9-42.4178.3-66.3-67.6-172.4152.30112.2L134 D137 D139 I161 V162 L163 I167 N168 L169 E177L134-K165 HydrophobicContact CD1-CB 4.1Å; L134-K165 HydrophobicContact CD2-CB 3.98Å; D137-K165 IonicContact OD1-NZ 3.76Å; D137-K165 PolarHBondContact OD1-NZ 3.48Å; D137-K165 WeakPolarHBondContact OD2-CD 3.49Å; D137-K165 WeakPolarHBondContact OD2-CE 3.36Å; D137-K165 IonicContact OD2-NZ 3.5Å; D137-K165 PolarHBondContact OD2-NZ 2.79Å; D139-K165 VanDerWaalsContact OD2-CE 3.32Å; D139-K165 WeakPolarHBondContact OD2-CE 3.44Å; D139-K165 IonicContact OD2-NZ 2.81Å; D139-K165 PolarHBondContact OD2-NZ 3.13Å; I161-K165 HydrophobicContact CG2-CG 4.46Å; I161-K165 WeakPolarHBondContact O-CG 3.2Å; I161-K165 PolarHBondContact O-N 2.63Å; V162-K165 PolarHBondContact O-N 2.99Å; L163-K165 VanDerWaalsContact C-N 3.32Å; L163-K165 PolarHBondContact O-N 3.34Å; K165-I167 VanDerWaalsContact C-N 3.3Å; K165-I167 PolarHBondContact O-N 3.5Å; K165-N168 PolarHBondContact O-N 2.8Å; K165-L169 WeakPolarHBondContact O-CB 3.4Å; K165-L169 PolarHBondContact O-N 3.18Å; K165-E177 WeakPolarHBondContact CD-OE1 3.45Å; K165-E177 IonicContact NZ-OE1 2.68Å; K165-E177 PolarHBondContact NZ-OE1 3.03Å; K165-E177 IonicContact NZ-OE2 3.45Å; K165-E177 PolarHBondContact NZ-OE2 3.08Å
166M97.7Very high96.6Very high1 Ų121.7 Ų21.71%0.00513%0.126CC..Hα-helixtrans-63.4-37176.3-61.7-31.3-72.700112.2W129 I130 A133 L134 V162 L163 L169 S170 L228 V231W129-M166 HydrophobicContact CD2-CE 4.47Å; W129-M166 HydrophobicContact CE3-CE 3.58Å; W129-M166 HydrophobicContact CH2-CE 3.21Å; W129-M166 HydrophobicContact CZ2-CE 4.14Å; W129-M166 HydrophobicContact CZ3-CE 2.86Å; I130-M166 HydrophobicContact CG1-CE 4.01Å; I130-M166 HydrophobicContact CG1-CG 4.41Å; I130-M166 HydrophobicContact CG1-SD 4.19Å; I130-M166 HydrophobicContact CG2-SD 4.16Å; A133-M166 HydrophobicContact CB-CE 4.18Å; L134-M166 HydrophobicContact CD1-SD 3.51Å; L134-M166 VanDerWaalsContact CD1-SD 3.51Å; L134-M166 HydrophobicContact CD2-SD 4.01Å; L134-M166 HydrophobicContact CG-SD 3.73Å; V162-M166 HydrophobicContact CG1-CG 4.19Å; V162-M166 VanDerWaalsContact O-CG 3.26Å; V162-M166 WeakPolarHBondContact O-CG 3.33Å; V162-M166 PolarHBondContact O-N 2.66Å; L163-M166 PolarHBondContact O-N 2.63Å; M166-L169 HydrophobicContact CE-CD2 3.53Å; M166-L169 PolarHBondContact O-N 2.85Å; M166-S170 PolarHBondContact O-N 3.3Å; M166-S170 PolarHBondContact O-OG 3.3Å; M166-L228 HydrophobicContact CG-CD2 4.37Å; M166-V231 HydrophobicContact CB-CG1 4.21Å
167I98.1Very high96.6Very high4 Ų424.5 Ų24.52%0.02114%0.139CC..Hα-helixtrans-62.1-46.2175.3-70.3162.1000110.9L163 C164 K165 L169 S170 V171 T174 I175 A197 A201 I204 V231L163-I167 WeakPolarHBondContact O-CD1 3.24Å; L163-I167 VanDerWaalsContact O-CG1 3.28Å; L163-I167 WeakPolarHBondContact O-CG1 3.3Å; L163-I167 PolarHBondContact O-N 3.44Å; C164-I167 PolarHBondContact O-N 3.35Å; K165-I167 VanDerWaalsContact C-N 3.3Å; K165-I167 PolarHBondContact O-N 3.5Å; I167-L169 VanDerWaalsContact C-N 3.32Å; I167-L169 PolarHBondContact O-N 2.88Å; I167-S170 PolarHBondContact O-N 3.43Å; I167-V171 PolarHBondContact O-N 2.95Å; I167-T174 HydrophobicContact CG2-CG2 3.64Å; I167-I175 HydrophobicContact CB-CD1 4.08Å; I167-I175 HydrophobicContact CD1-CD1 4.1Å; I167-I175 HydrophobicContact CG2-CD1 3.98Å; I167-I175 HydrophobicContact CG2-CG1 4.33Å; I167-A197 HydrophobicContact CD1-CB 4.15Å; I167-A197 WeakPolarHBondContact CD1-O 3.3Å; I167-A201 HydrophobicContact CD1-CB 4.02Å; I167-I204 HydrophobicContact CG2-CD1 4.31Å; I167-V231 HydrophobicContact CG1-CG1 4.2Å; I167-V231 HydrophobicContact CG1-CG2 4.12Å
168N97.2Very high96.6Very high22 Ų2228.8 Ų28.812%0.11816%0.155CC..Hα-helixtrans-66.6-32.8176.3-86.7-6.4000113.1C164 K165 S170 V171 P172 T174 I175C164-N168 PolarHBondContact O-N 2.72Å; C164-N168 VanDerWaalsContact O-N 3.17Å; K165-N168 PolarHBondContact O-N 2.8Å; N168-S170 VanDerWaalsContact C-N 3.34Å; N168-V171 CarbonylContact O-C 3.53Å; N168-V171 VanDerWaalsContact O-C 3.3Å; N168-P172 VanDerWaalsContact O-CA 3.23Å; N168-P172 WeakPolarHBondContact O-CA 3.49Å; N168-P172 VanDerWaalsContact O-N 3.17Å; N168-T174 PolarHBondContact OD1-N 3.47Å; N168-I175 PolarHBondContact ND2-O 3.44Å; N168-I175 PolarHBondContact OD1-N 3.16Å; N168-I175 PolarHBondContact OD1-O 3.4Å
169L95.4Very high96.6Very high82 Ų8228.4 Ų28.443%0.42915%0.15SC..Hα-helixtrans-65.5-41173.9-173.973.5000111.2W129 A133 K165 M166 I167W129-L169 HydrophobicContact CH2-CD2 3.72Å; W129-L169 HydrophobicContact CZ2-CD2 3.71Å; A133-L169 HydrophobicContact CB-CD2 3.54Å; K165-L169 WeakPolarHBondContact O-CB 3.4Å; K165-L169 PolarHBondContact O-N 3.18Å; M166-L169 HydrophobicContact CE-CD2 3.53Å; M166-L169 PolarHBondContact O-N 2.85Å; I167-L169 VanDerWaalsContact C-N 3.32Å; I167-L169 PolarHBondContact O-N 2.88Å
170S94.8Very high96.7Very high7 Ų728 Ų285%0.04915%0.148CC..Hα-helixtrans-75.5-39.5179.4-660000113.1M166 I167 N168 V231 G235M166-S170 PolarHBondContact O-N 3.3Å; M166-S170 PolarHBondContact O-OG 3.3Å; I167-S170 PolarHBondContact O-N 3.43Å; N168-S170 VanDerWaalsContact C-N 3.34Å; S170-V231 WeakPolarHBondContact CB-O 3.29Å; S170-V231 WeakPolarHBondContact OG-CG1 3.33Å; S170-V231 PolarHBondContact OG-O 3.21Å; S170-G235 WeakPolarHBondContact O-CA 3.45Å
171V94.1Very high96.6Very high45 Ų4529.6 Ų29.627%0.27316%0.156SC..SBendtrans-137.498.9176.3-1750000108I167 N168 T174 I204 I234I167-V171 PolarHBondContact O-N 2.95Å; N168-V171 CarbonylContact O-C 3.53Å; N168-V171 VanDerWaalsContact O-C 3.3Å; V171-T174 WeakPolarHBondContact CB-OG1 3.42Å; V171-T174 VanDerWaalsContact CG1-OG1 3.28Å; V171-T174 WeakPolarHBondContact CG1-OG1 3.29Å; V171-T174 WeakPolarHBondContact O-CB 3.38Å; V171-T174 PolarHBondContact O-N 3.11Å; V171-T174 PolarHBondContact O-OG1 2.86Å; V171-I204 HydrophobicContact CB-CG2 4.05Å; V171-I204 HydrophobicContact CG1-CG2 4.23Å; V171-I204 HydrophobicContact CG2-CB 4.19Å; V171-I204 HydrophobicContact CG2-CD1 4.15Å; V171-I204 HydrophobicContact CG2-CG2 4Å; V171-I234 HydrophobicContact CG2-CG2 3.65Å
172P93.8Very high96.4Very high99 Ų9932.9 Ų32.964%0.64317%0.171SC*.THydrogen-bonded Turntrans-53.2150.7-179.9-28.936.2000112.9N168 T174N168-P172 VanDerWaalsContact O-CA 3.23Å; N168-P172 WeakPolarHBondContact O-CA 3.49Å; N168-P172 VanDerWaalsContact O-N 3.17Å; P172-T174 PolarHBondContact O-N 2.89Å; P172-T174 VanDerWaalsContact O-N 3.1Å
173D92.5Very high96Very high109 Ų10941.7 Ų41.758%0.58321%0.209SC*.THydrogen-bonded Turntrans6112.4178.8-71.9-48.5000116.1K584D173-K584 IonicContact OD1-NZ 3.67Å; D173-K584 PolarHBondContact OD1-NZ 3.23Å; D173-K584 IonicContact OD2-NZ 3.21Å; D173-K584 PolarHBondContact OD2-NZ 2.87Å
174T96.1Very high95.6Very high16 Ų1651.1 Ų51.110%0.09825%0.25CC..SBendtrans-68.2-39.7177.1-62.40000112.4I167 N168 V171 P172 I204 R591I167-T174 HydrophobicContact CG2-CG2 3.64Å; N168-T174 PolarHBondContact OD1-N 3.47Å; V171-T174 WeakPolarHBondContact CB-OG1 3.42Å; V171-T174 VanDerWaalsContact CG1-OG1 3.28Å; V171-T174 WeakPolarHBondContact CG1-OG1 3.29Å; V171-T174 WeakPolarHBondContact O-CB 3.38Å; V171-T174 PolarHBondContact O-N 3.11Å; V171-T174 PolarHBondContact O-OG1 2.86Å; P172-T174 PolarHBondContact O-N 2.89Å; P172-T174 VanDerWaalsContact O-N 3.1Å; T174-I204 HydrophobicContact CG2-CG2 3.65Å; T174-R591 PolarHBondContact O-NH1 3.41Å
175I98.1Very high95.3Very high4 Ų453.8 Ų53.82%0.02126%0.264CS..SBendtrans-119.9125179.1-63.6171.6000108.7C164 I167 N168 E177 I180 L196 S200C164-I175 HydrophobicContact CB-CD1 3.8Å; I167-I175 HydrophobicContact CB-CD1 4.08Å; I167-I175 HydrophobicContact CD1-CD1 4.1Å; I167-I175 HydrophobicContact CG2-CD1 3.98Å; I167-I175 HydrophobicContact CG2-CG1 4.33Å; N168-I175 PolarHBondContact ND2-O 3.44Å; N168-I175 PolarHBondContact OD1-N 3.16Å; N168-I175 PolarHBondContact OD1-O 3.4Å; I175-E177 PolarHBondContact O-N 3.23Å; I175-I180 HydrophobicContact CG2-CD1 4.21Å; I175-I180 HydrophobicContact CG2-CG1 4.13Å; I175-L196 HydrophobicContact CD1-CG 4.37Å; I175-L196 HydrophobicContact CG1-CD1 4.39Å; I175-L196 HydrophobicContact CG2-CD1 4.17Å; I175-L196 HydrophobicContact CG2-CD2 3.8Å; I175-L196 HydrophobicContact CG2-CG 4.1Å; I175-S200 VanDerWaalsContact CG1-OG 3.3Å; I175-S200 WeakPolarHBondContact CG1-OG 3.41Å
176D97.4Very high95.2Very high19 Ų1956.6 Ų56.610%0.10228%0.282CS..  trans-72.1108.9166-172.2-34.8000109.7R178 T179 Y585 S588D176-R178 PolarHBondContact O-N 3.03Å; D176-R178 VanDerWaalsContact OD1-CB 3.22Å; D176-R178 WeakPolarHBondContact OD1-CB 3.16Å; D176-R178 WeakPolarHBondContact OD1-CG 3.41Å; D176-R178 IonicContact OD1-CZ 2.63Å; D176-R178 PolarHBondContact OD1-N 3.35Å; D176-R178 IonicContact OD1-NE 2.74Å; D176-R178 PolarHBondContact OD1-NE 3.45Å; D176-R178 IonicContact OD1-NH2 2.76Å; D176-R178 IonicContact OD2-CZ 2.86Å; D176-R178 IonicContact OD2-NE 3.64Å; D176-R178 PolarHBondContact OD2-NE 3.35Å; D176-R178 IonicContact OD2-NH2 3.35Å; D176-R178 PolarHBondContact OD2-NH2 3.21Å; D176-T179 HydrophobicContact CB-CG2 4.19Å; D176-T179 WeakPolarHBondContact O-CB 3.35Å; D176-T179 PolarHBondContact O-N 3.38Å; D176-T179 PolarHBondContact O-OG1 2.93Å; D176-Y585 WeakPolarHBondContact OD2-CA 3.18Å; D176-Y585 PolarHBondContact OD2-N 3.26Å; D176-S588 WeakPolarHBondContact CB-OG 3.35Å; D176-S588 PolarHBondContact N-OG 3.25Å
177E96.3Very high95.1Very high64 Ų6461.1 Ų61.130%0.29931%0.311SS..G310 helixtrans-62.9-17.8-174-61.6-161.3168.200114.5K165 I175 T179 I180 K182K165-E177 WeakPolarHBondContact CD-OE1 3.45Å; K165-E177 IonicContact NZ-OE1 2.68Å; K165-E177 PolarHBondContact NZ-OE1 3.03Å; K165-E177 IonicContact NZ-OE2 3.45Å; K165-E177 PolarHBondContact NZ-OE2 3.08Å; I175-E177 PolarHBondContact O-N 3.23Å; E177-T179 PolarHBondContact O-N 3.39Å; E177-I180 HydrophobicContact CB-CD1 4.14Å; E177-I180 HydrophobicContact CG-CD1 4.18Å; E177-I180 PolarHBondContact O-N 3.22Å; E177-K182 WeakPolarHBondContact O-CE 3.37Å; E177-K182 IonicContact OE2-NZ 3.04Å
178R95.8Very high94.8Very high90 Ų9066.5 Ų66.534%0.3434%0.335SS..G310 helixtrans-64.4-21.4173.5-60.6175.8-67.6178.5-3.7111.9D176 L568 N581 Y585D176-R178 PolarHBondContact O-N 3.03Å; D176-R178 VanDerWaalsContact OD1-CB 3.22Å; D176-R178 WeakPolarHBondContact OD1-CB 3.16Å; D176-R178 WeakPolarHBondContact OD1-CG 3.41Å; D176-R178 IonicContact OD1-CZ 2.63Å; D176-R178 PolarHBondContact OD1-N 3.35Å; D176-R178 IonicContact OD1-NE 2.74Å; D176-R178 PolarHBondContact OD1-NE 3.45Å; D176-R178 IonicContact OD1-NH2 2.76Å; D176-R178 IonicContact OD2-CZ 2.86Å; D176-R178 IonicContact OD2-NE 3.64Å; D176-R178 PolarHBondContact OD2-NE 3.35Å; D176-R178 IonicContact OD2-NH2 3.35Å; D176-R178 PolarHBondContact OD2-NH2 3.21Å; R178-L568 HydrophobicContact CB-CD1 4.24Å; R178-L568 PolarHBondContact NH1-O 2.81Å; R178-N581 VanDerWaalsContact CZ-OD1 3.23Å; R178-N581 PolarHBondContact NH1-OD1 2.82Å; R178-N581 PolarHBondContact NH2-O 2.89Å; R178-N581 PolarHBondContact NH2-OD1 3.05Å; R178-Y585 HydrophobicContact CB-CD2 4.41Å; R178-Y585 HydrophobicContact CB-CE2 4.32Å
179T96.6Very high94.7Very high2 Ų266.8 Ų66.81%0.01234%0.337CS..G310 helixtrans-84.1-14.6178.569.10000113.2D176 E177 N181 L196 Y585 M589 K592D176-T179 HydrophobicContact CB-CG2 4.19Å; D176-T179 WeakPolarHBondContact O-CB 3.35Å; D176-T179 PolarHBondContact O-N 3.38Å; D176-T179 PolarHBondContact O-OG1 2.93Å; E177-T179 PolarHBondContact O-N 3.39Å; T179-N181 PolarHBondContact O-N 3.21Å; T179-L196 WeakPolarHBondContact OG1-CD2 3.37Å; T179-Y585 HydrophobicContact CG2-CD2 3.63Å; T179-Y585 HydrophobicContact CG2-CE2 3.63Å; T179-Y585 HydrophobicContact CG2-CG 4.32Å; T179-M589 HydrophobicContact CG2-CG 3.76Å; T179-M589 HydrophobicContact CG2-SD 3.55Å; T179-M589 VanDerWaalsContact CG2-SD 3.55Å; T179-K592 WeakPolarHBondContact O-CD 3.35Å; T179-K592 VanDerWaalsContact O-CE 3.32Å; T179-K592 WeakPolarHBondContact O-CE 3.47Å; T179-K592 PolarHBondContact O-NZ 3.37Å
180I97.3Very high94.8Very high9 Ų964.4 Ų64.45%0.04633%0.325CS..SBendtrans-74127.9179.4-55.8171000109.2I161 C164 I175 E177 K182 L196I161-I180 HydrophobicContact CG1-CG2 4.15Å; C164-I180 HydrophobicContact CB-CD1 3.62Å; C164-I180 HydrophobicContact CB-CG1 4.17Å; I175-I180 HydrophobicContact CG2-CD1 4.21Å; I175-I180 HydrophobicContact CG2-CG1 4.13Å; E177-I180 HydrophobicContact CB-CD1 4.14Å; E177-I180 HydrophobicContact CG-CD1 4.18Å; E177-I180 PolarHBondContact O-N 3.22Å; I180-K182 HydrophobicContact CB-CG 4.31Å; I180-K182 HydrophobicContact CG2-CG 4.03Å; I180-K182 PolarHBondContact O-N 2.94Å; I180-L196 HydrophobicContact CG1-CD2 4.01Å
181N96.5Very high94.8Very high34 Ų3467 Ų6718%0.18234%0.336CS..  trans-74.6114.2170.5-60.2-47.7000108.3T179 L185 T189 E192 N193 K592T179-N181 PolarHBondContact O-N 3.21Å; N181-L185 HydrophobicContact CB-CD2 3.92Å; N181-L185 VanDerWaalsContact O-CD2 3.25Å; N181-L185 WeakPolarHBondContact O-CD2 3.36Å; N181-T189 HydrophobicContact CB-CG2 4.45Å; N181-T189 WeakPolarHBondContact ND2-CA 3.47Å; N181-T189 WeakPolarHBondContact ND2-CB 3.4Å; N181-T189 PolarHBondContact ND2-O 3.47Å; N181-E192 PolarHBondContact ND2-OE2 3.06Å; N181-N193 WeakPolarHBondContact CB-OD1 3.33Å; N181-N193 PolarHBondContact N-OD1 2.85Å; N181-N193 PolarHBondContact ND2-OD1 2.84Å; N181-N193 PolarHBondContact O-ND2 2.87Å; N181-K592 VanDerWaalsContact CG-NZ 3.34Å; N181-K592 VanDerWaalsContact ND2-CE 3.28Å; N181-K592 WeakPolarHBondContact ND2-CE 3.33Å; N181-K592 PolarHBondContact ND2-NZ 3.44Å; N181-K592 PolarHBondContact OD1-NZ 2.92Å
182K94.4Very high94.9Very high70 Ų7065.6 Ų65.630%0.30433%0.326SS..  trans-110.4-16.8-171.4-65.8166.8178.6-158.70114.7D139 E177 I180D139-K182 HydrophobicContact CB-CD 4.46Å; D139-K182 WeakPolarHBondContact OD1-CD 3.33Å; D139-K182 IonicContact OD1-NZ 3.18Å; D139-K182 WeakPolarHBondContact OD2-CE 3.25Å; D139-K182 IonicContact OD2-NZ 2.72Å; D139-K182 PolarHBondContact OD2-NZ 3.21Å; E177-K182 WeakPolarHBondContact O-CE 3.37Å; E177-K182 IonicContact OE2-NZ 3.04Å; I180-K182 HydrophobicContact CB-CG 4.31Å; I180-K182 HydrophobicContact CG2-CG 4.03Å; I180-K182 PolarHBondContact O-N 2.94Å
183K89.9Confident95.1Very high185 Ų18560.9 Ų60.980%0.80430%0.296SS*.SBendtrans-136.9148.9-173.1-64.4-178.1-178.5175.90111L185K183-L185 PolarHBondContact O-N 2.86Å
184K88.1Confident95.4Very high203 Ų20355.7 Ų55.788%0.88327%0.268SS*.SBendtrans49.254177.2-61.9-177.4178.8-179.80112.2T186K184-T186 PolarHBondContact O-N 3.5Å
185L94Very high95.4Very high56 Ų5656.6 Ų56.629%0.29327%0.273SS..  trans-67124.3-174.3-56.7-177.2000111D159 I161 N181 K183 T189 I190D159-L185 HydrophobicContact CB-CD1 3.69Å; I161-L185 HydrophobicContact CD1-CD1 4.2Å; N181-L185 HydrophobicContact CB-CD2 3.92Å; N181-L185 VanDerWaalsContact O-CD2 3.25Å; N181-L185 WeakPolarHBondContact O-CD2 3.36Å; K183-L185 PolarHBondContact O-N 2.86Å; L185-T189 WeakPolarHBondContact CA-OG1 3.48Å; L185-I190 HydrophobicContact CB-CD1 4.18Å; L185-I190 HydrophobicContact CB-CG1 3.9Å; L185-I190 HydrophobicContact CD1-CG1 4.31Å
186T95.1Very high95.4Very high67 Ų6756.4 Ų56.441%0.41127%0.272SS..  trans-96.9163167.668.10000109.7K184 F188 T189 I190K184-T186 PolarHBondContact O-N 3.5Å; T186-F188 PolarHBondContact O-N 3.27Å; T186-F188 VanDerWaalsContact O-N 3.14Å; T186-T189 PolarHBondContact N-OG1 3.04Å; T186-T189 PolarHBondContact O-N 3.05Å; T186-T189 VanDerWaalsContact O-N 3.1Å; T186-T189 PolarHBondContact O-OG1 3.49Å; T186-T189 PolarHBondContact OG1-N 2.68Å; T186-T189 PolarHBondContact OG1-OG1 3.17Å; T186-I190 WeakPolarHBondContact O-CG1 3.37Å; T186-I190 PolarHBondContact O-N 3.39Å
187P94.6Very high95.4Very high97 Ų9755.5 Ų55.563%0.6327%0.267SS*.Hα-helixtrans-52.4-36173.7-28.336.1000113.3Q191P187-Q191 WeakPolarHBondContact O-CB 3.46Å; P187-Q191 PolarHBondContact O-N 3.31Å
188F92.4Very high95.5Very high116 Ų11653 Ų5351%0.50926%0.255SS..Hα-helixtrans-67.4-47.5177.3-176.3-97.3000112.3T186 I190 Q191 E192T186-F188 PolarHBondContact O-N 3.27Å; T186-F188 VanDerWaalsContact O-N 3.14Å; F188-I190 VanDerWaalsContact C-N 3.3Å; F188-I190 PolarHBondContact O-N 2.94Å; F188-Q191 WeakPolarHBondContact O-CB 3.35Å; F188-Q191 PolarHBondContact O-N 3.04Å; F188-E192 HydrophobicContact CD1-CG 4.34Å; F188-E192 HydrophobicContact CE1-CG 4.01Å; F188-E192 VanDerWaalsContact CE1-OE1 3.22Å; F188-E192 WeakPolarHBondContact CE1-OE1 3.36Å; F188-E192 HydrophobicContact CZ-CG 4.38Å; F188-E192 WeakPolarHBondContact O-CG 3.34Å; F188-E192 PolarHBondContact O-N 2.99Å
189T95.1Very high95.5Very high28 Ų2849.3 Ų49.317%0.17224%0.242CC..Hα-helixtrans-69.8-27.8-179.952.90000113.1N181 L185 T186 N193N181-T189 HydrophobicContact CB-CG2 4.45Å; N181-T189 WeakPolarHBondContact ND2-CA 3.47Å; N181-T189 WeakPolarHBondContact ND2-CB 3.4Å; N181-T189 PolarHBondContact ND2-O 3.47Å; L185-T189 WeakPolarHBondContact CA-OG1 3.48Å; T186-T189 PolarHBondContact N-OG1 3.04Å; T186-T189 PolarHBondContact O-N 3.05Å; T186-T189 VanDerWaalsContact O-N 3.1Å; T186-T189 PolarHBondContact O-OG1 3.49Å; T186-T189 PolarHBondContact OG1-N 2.68Å; T186-T189 PolarHBondContact OG1-OG1 3.17Å; T189-N193 PolarHBondContact O-N 3.2Å; T189-N193 VanDerWaalsContact O-N 3.11Å
190I97.2Very high95.6Very high32 Ų3249.2 Ų49.216%0.16424%0.242CC..Hα-helixtrans-66.1-49.1171.2-70.6169.6000109.5G158 L185 T186 F188 E192 N193 L194 K217G158-I190 WeakPolarHBondContact O-CG2 3.43Å; L185-I190 HydrophobicContact CB-CD1 4.18Å; L185-I190 HydrophobicContact CB-CG1 3.9Å; L185-I190 HydrophobicContact CD1-CG1 4.31Å; T186-I190 WeakPolarHBondContact O-CG1 3.37Å; T186-I190 PolarHBondContact O-N 3.39Å; F188-I190 VanDerWaalsContact C-N 3.3Å; F188-I190 PolarHBondContact O-N 2.94Å; I190-E192 PolarHBondContact O-N 3.45Å; I190-N193 WeakPolarHBondContact O-CB 3.46Å; I190-N193 PolarHBondContact O-N 3.04Å; I190-N193 VanDerWaalsContact O-N 3.1Å; I190-L194 HydrophobicContact CG2-CD1 3.7Å; I190-L194 HydrophobicContact CG2-CG 4.34Å; I190-L194 WeakPolarHBondContact O-CG 3.49Å; I190-L194 PolarHBondContact O-N 2.9Å; I190-K217 HydrophobicContact CG2-CD 3.97Å; I190-K217 HydrophobicContact CG2-CG 4.31Å
191Q95.6Very high95.5Very high61 Ų6148.8 Ų48.829%0.28524%0.24SC..Hα-helixtrans-55-41.3175.7-178.369.425.500111.8P187 F188 L194 N195P187-Q191 WeakPolarHBondContact O-CB 3.46Å; P187-Q191 PolarHBondContact O-N 3.31Å; F188-Q191 WeakPolarHBondContact O-CB 3.35Å; F188-Q191 PolarHBondContact O-N 3.04Å; Q191-L194 PolarHBondContact O-N 3.37Å; Q191-N195 PolarHBondContact NE2-OD1 2.89Å; Q191-N195 WeakPolarHBondContact O-CB 3.23Å; Q191-N195 PolarHBondContact O-N 3.37Å; Q191-N195 PolarHBondContact O-ND2 3.38Å
192E96.2Very high95.5Very high16 Ų1647.4 Ų47.48%0.07523%0.232CC..Hα-helixtrans-63.1-44.3175.2-72.3-173.6142.300113.2N181 F188 I190 L194 N195 L196 Q560 K592N181-E192 PolarHBondContact ND2-OE2 3.06Å; F188-E192 HydrophobicContact CD1-CG 4.34Å; F188-E192 HydrophobicContact CE1-CG 4.01Å; F188-E192 VanDerWaalsContact CE1-OE1 3.22Å; F188-E192 WeakPolarHBondContact CE1-OE1 3.36Å; F188-E192 HydrophobicContact CZ-CG 4.38Å; F188-E192 WeakPolarHBondContact O-CG 3.34Å; F188-E192 PolarHBondContact O-N 2.99Å; I190-E192 PolarHBondContact O-N 3.45Å; E192-L194 VanDerWaalsContact C-N 3.32Å; E192-L194 PolarHBondContact O-N 3.48Å; E192-N195 PolarHBondContact O-N 3.17Å; E192-L196 WeakPolarHBondContact O-CB 3.19Å; E192-L196 PolarHBondContact O-N 2.66Å; E192-Q560 PolarHBondContact OE1-NE2 2.95Å; E192-K592 HydrophobicContact CB-CD 4.36Å; E192-K592 HydrophobicContact CB-CG 3.81Å; E192-K592 HydrophobicContact CG-CG 4.38Å; E192-K592 WeakPolarHBondContact OE2-CE 3.33Å; E192-K592 IonicContact OE2-NZ 2.72Å
193N98.1Very high95.4Very high0 Ų044.5 Ų44.50%022%0.221CC..Hα-helixtrans-61.6-42175.8-75.6-7.3000111.6D159 N181 T189 I190 L196 A197D159-N193 WeakPolarHBondContact O-CB 3.27Å; D159-N193 PolarHBondContact O-ND2 2.81Å; N181-N193 WeakPolarHBondContact CB-OD1 3.33Å; N181-N193 PolarHBondContact N-OD1 2.85Å; N181-N193 PolarHBondContact ND2-OD1 2.84Å; N181-N193 PolarHBondContact O-ND2 2.87Å; T189-N193 PolarHBondContact O-N 3.2Å; T189-N193 VanDerWaalsContact O-N 3.11Å; I190-N193 WeakPolarHBondContact O-CB 3.46Å; I190-N193 PolarHBondContact O-N 3.04Å; I190-N193 VanDerWaalsContact O-N 3.1Å; N193-L196 WeakPolarHBondContact O-CB 3.26Å; N193-L196 PolarHBondContact O-N 2.71Å; N193-A197 WeakPolarHBondContact O-CB 3.28Å; N193-A197 PolarHBondContact O-N 3.32Å
194L98.1Very high95.6Very high0 Ų036.1 Ų36.10%019%0.185CC..Hα-helixtrans-69.1-39179.5-66.1168.8000111.9L163 I190 Q191 E192 A197 L198 A213 L216 K217L163-L194 HydrophobicContact CD1-CD2 4.21Å; I190-L194 HydrophobicContact CG2-CD1 3.7Å; I190-L194 HydrophobicContact CG2-CG 4.34Å; I190-L194 WeakPolarHBondContact O-CG 3.49Å; I190-L194 PolarHBondContact O-N 2.9Å; Q191-L194 PolarHBondContact O-N 3.37Å; E192-L194 VanDerWaalsContact C-N 3.32Å; E192-L194 PolarHBondContact O-N 3.48Å; L194-A197 PolarHBondContact O-N 3Å; L194-L198 WeakPolarHBondContact O-CB 3.35Å; L194-L198 WeakPolarHBondContact O-CG 3.33Å; L194-L198 PolarHBondContact O-N 3.44Å; L194-A213 HydrophobicContact CB-CB 3.61Å; L194-A213 HydrophobicContact CD1-CB 4.4Å; L194-A213 WeakPolarHBondContact CD1-O 3.45Å; L194-L216 HydrophobicContact CD2-CB 3.84Å; L194-L216 HydrophobicContact CD2-CD1 4.31Å; L194-K217 HydrophobicContact CD1-CB 3.66Å; L194-K217 HydrophobicContact CD1-CG 4.43Å
195N96.6Very high95.8Very high36 Ų3626.5 Ų26.519%0.19314%0.143CC..Hα-helixtrans-61.8-43.9171.3-74.3-22.4000111.5Q191 E192 L198 N199 K592Q191-N195 PolarHBondContact NE2-OD1 2.89Å; Q191-N195 WeakPolarHBondContact O-CB 3.23Å; Q191-N195 PolarHBondContact O-N 3.37Å; Q191-N195 PolarHBondContact O-ND2 3.38Å; E192-N195 PolarHBondContact O-N 3.17Å; N195-L198 PolarHBondContact O-N 3.34Å; N195-N199 WeakPolarHBondContact O-CB 3.46Å; N195-N199 PolarHBondContact O-N 2.82Å; N195-N199 PolarHBondContact O-ND2 3.44Å; N195-N199 VanDerWaalsContact O-ND2 3.15Å; N195-K592 WeakPolarHBondContact CB-O 3.37Å
196L98.2Very high95.7Very high0 Ų023.8 Ų23.80%013%0.129CC..Hα-helixtrans-58-49.1175.1175.359.4000110.8I175 T179 I180 E192 N193 S200 S588 R591 K592I175-L196 HydrophobicContact CD1-CG 4.37Å; I175-L196 HydrophobicContact CG1-CD1 4.39Å; I175-L196 HydrophobicContact CG2-CD1 4.17Å; I175-L196 HydrophobicContact CG2-CD2 3.8Å; I175-L196 HydrophobicContact CG2-CG 4.1Å; T179-L196 WeakPolarHBondContact OG1-CD2 3.37Å; I180-L196 HydrophobicContact CG1-CD2 4.01Å; E192-L196 WeakPolarHBondContact O-CB 3.19Å; E192-L196 PolarHBondContact O-N 2.66Å; N193-L196 WeakPolarHBondContact O-CB 3.26Å; N193-L196 PolarHBondContact O-N 2.71Å; L196-S200 WeakPolarHBondContact O-CB 3.31Å; L196-S200 PolarHBondContact O-N 3.05Å; L196-S200 PolarHBondContact O-OG 3.48Å; L196-S588 WeakPolarHBondContact CD1-O 3.44Å; L196-R591 HydrophobicContact CD1-CB 4.03Å; L196-K592 HydrophobicContact CB-CB 4.17Å; L196-K592 HydrophobicContact CB-CG 4.41Å; L196-K592 HydrophobicContact CD1-CB 4.39Å
197A98.3Very high95.3Very high0 Ų023.7 Ų23.70%012%0.124CC..Hα-helixtrans-60-51176.800000112.2L163 I167 N193 L194 S200 A201L163-A197 HydrophobicContact CB-CB 3.81Å; L163-A197 HydrophobicContact CD1-CB 4.49Å; I167-A197 HydrophobicContact CD1-CB 4.15Å; I167-A197 WeakPolarHBondContact CD1-O 3.3Å; N193-A197 WeakPolarHBondContact O-CB 3.28Å; N193-A197 PolarHBondContact O-N 3.32Å; L194-A197 PolarHBondContact O-N 3Å; A197-S200 PolarHBondContact O-N 3.46Å; A197-A201 VanDerWaalsContact O-CB 3.32Å; A197-A201 WeakPolarHBondContact O-CB 3.5Å; A197-A201 PolarHBondContact O-N 3.4Å
198L97.1Very high94.9Very high10 Ų1019.4 Ų19.45%0.05210%0.096CC..Hα-helixtrans-61.7-47.5-178.3-77.1169.7000112.8L194 N195 S200 A201 S202 V208 I211 A213 L216 L227L194-L198 WeakPolarHBondContact O-CB 3.35Å; L194-L198 WeakPolarHBondContact O-CG 3.33Å; L194-L198 PolarHBondContact O-N 3.44Å; N195-L198 PolarHBondContact O-N 3.34Å; L198-S200 VanDerWaalsContact C-N 3.3Å; L198-S200 PolarHBondContact O-N 3.15Å; L198-A201 PolarHBondContact O-N 2.93Å; L198-S202 WeakPolarHBondContact O-CB 3.36Å; L198-S202 PolarHBondContact O-N 3.03Å; L198-V208 HydrophobicContact CD2-CB 4.29Å; L198-V208 HydrophobicContact CD2-CG1 4.32Å; L198-I211 HydrophobicContact CD2-CB 3.98Å; L198-I211 HydrophobicContact CD2-CG2 3.77Å; L198-A213 HydrophobicContact CD1-CB 4.1Å; L198-L216 HydrophobicContact CD1-CD1 4.03Å; L198-L216 HydrophobicContact CD2-CD1 3.62Å; L198-L216 HydrophobicContact CG-CD1 3.7Å; L198-L227 HydrophobicContact CD2-CD2 4.21Å
199N96.2Very high93.8Very high14 Ų1417.2 Ų17.28%0.0759%0.092CC..Hα-helixtrans-69.7-31.4-179.4-70.6-38.4000111.7N195 S202 A203 R591 G594 R596N195-N199 WeakPolarHBondContact O-CB 3.46Å; N195-N199 PolarHBondContact O-N 2.82Å; N195-N199 PolarHBondContact O-ND2 3.44Å; N195-N199 VanDerWaalsContact O-ND2 3.15Å; N199-S202 WeakPolarHBondContact O-CB 3.38Å; N199-A203 WeakPolarHBondContact O-CB 3.33Å; N199-A203 PolarHBondContact O-N 3.05Å; N199-R591 HydrophobicContact CB-CB 3.79Å; N199-R591 HydrophobicContact CB-CG 3.92Å; N199-R591 PolarHBondContact ND2-O 2.78Å; N199-G594 WeakPolarHBondContact ND2-CA 3.31Å; N199-R596 WeakPolarHBondContact OD1-CG 3.46Å
200S97.8Very high92.7Very high0 Ų022 Ų220%012%0.117CC..Hα-helixtrans-74.2-40.1175.5-58.20000112I175 L196 A197 L198 S202 A203 I204 R591I175-S200 VanDerWaalsContact CG1-OG 3.3Å; I175-S200 WeakPolarHBondContact CG1-OG 3.41Å; L196-S200 WeakPolarHBondContact O-CB 3.31Å; L196-S200 PolarHBondContact O-N 3.05Å; L196-S200 PolarHBondContact O-OG 3.48Å; A197-S200 PolarHBondContact O-N 3.46Å; L198-S200 VanDerWaalsContact C-N 3.3Å; L198-S200 PolarHBondContact O-N 3.15Å; S200-S202 VanDerWaalsContact C-N 3.3Å; S200-S202 PolarHBondContact O-N 3.37Å; S200-A203 PolarHBondContact O-N 3.45Å; S200-A203 VanDerWaalsContact O-N 3.15Å; S200-I204 PolarHBondContact O-N 3.05Å; S200-R591 WeakPolarHBondContact OG-CD 3.3Å
201A96.9Very high92.1Very high0 Ų021.6 Ų21.60%012%0.115CC..Hα-helixtrans-58.7-43.617000000111.1I167 A197 L198 A203 I204 G205 C206 V208 L227I167-A201 HydrophobicContact CD1-CB 4.02Å; A197-A201 VanDerWaalsContact O-CB 3.32Å; A197-A201 WeakPolarHBondContact O-CB 3.5Å; A197-A201 PolarHBondContact O-N 3.4Å; L198-A201 PolarHBondContact O-N 2.93Å; A201-A203 VanDerWaalsContact C-N 3.32Å; A201-A203 PolarHBondContact O-N 3.41Å; A201-I204 WeakPolarHBondContact O-CG1 3.35Å; A201-I204 PolarHBondContact O-N 3.36Å; A201-G205 PolarHBondContact O-N 2.91Å; A201-C206 HydrophobicContact CB-CB 3.98Å; A201-C206 WeakPolarHBondContact O-CB 3.4Å; A201-C206 PolarHBondContact O-N 3.48Å; A201-V208 HydrophobicContact CB-CG1 4.28Å; A201-L227 HydrophobicContact CB-CD1 3.87Å
202S94.6Very high91.7Very high4 Ų420.1 Ų20.13%0.02812%0.116CC..Hα-helixtrans-58.3-44.3174-159.10000111.7L198 N199 S200 I204 G205 S406 Y598L198-S202 WeakPolarHBondContact O-CB 3.36Å; L198-S202 PolarHBondContact O-N 3.03Å; N199-S202 WeakPolarHBondContact O-CB 3.38Å; S200-S202 VanDerWaalsContact C-N 3.3Å; S200-S202 PolarHBondContact O-N 3.37Å; S202-I204 VanDerWaalsContact C-N 3.25Å; S202-I204 PolarHBondContact O-N 2.93Å; S202-G205 PolarHBondContact O-N 3.2Å; S202-S406 WeakPolarHBondContact O-CB 3.49Å; S202-S406 WeakPolarHBondContact OG-CB 3.38Å; S202-Y598 WeakPolarHBondContact O-CE1 3.33Å; S202-Y598 PolarHBondContact OG-OH 2.72Å
203A94.2Very high91.5Very high9 Ų919.6 Ų19.67%0.07411%0.114CC..Hα-helixtrans-66-24.1-178.100000114.1N199 S200 A201 G205 N402N199-A203 WeakPolarHBondContact O-CB 3.33Å; N199-A203 PolarHBondContact O-N 3.05Å; S200-A203 PolarHBondContact O-N 3.45Å; S200-A203 VanDerWaalsContact O-N 3.15Å; A201-A203 VanDerWaalsContact C-N 3.32Å; A201-A203 PolarHBondContact O-N 3.41Å; A203-G205 VanDerWaalsContact C-N 3.35Å; A203-N402 VanDerWaalsContact O-CB 3.28Å; A203-N402 WeakPolarHBondContact O-CB 3.34Å; A203-N402 PolarHBondContact O-ND2 3.15Å
204I93.9Very high91.2Very high10 Ų1023.4 Ų23.45%0.05113%0.132CC..THydrogen-bonded Turntrans-91.34.3172.466.6166.7000113.1I167 V171 T174 S200 A201 S202 I234 N402I167-I204 HydrophobicContact CG2-CD1 4.31Å; V171-I204 HydrophobicContact CB-CG2 4.05Å; V171-I204 HydrophobicContact CG1-CG2 4.23Å; V171-I204 HydrophobicContact CG2-CB 4.19Å; V171-I204 HydrophobicContact CG2-CD1 4.15Å; V171-I204 HydrophobicContact CG2-CG2 4Å; T174-I204 HydrophobicContact CG2-CG2 3.65Å; S200-I204 PolarHBondContact O-N 3.05Å; A201-I204 WeakPolarHBondContact O-CG1 3.35Å; A201-I204 PolarHBondContact O-N 3.36Å; S202-I204 VanDerWaalsContact C-N 3.25Å; S202-I204 PolarHBondContact O-N 2.93Å; I204-I234 HydrophobicContact CD1-CD1 3.93Å; I204-I234 HydrophobicContact CD1-CG2 4.41Å; I204-I234 HydrophobicContact CG1-CD1 4Å; I204-I234 WeakPolarHBondContact O-CD1 3.31Å; I204-N402 PolarHBondContact O-OD1 3.29Å
205G91.3Very high90.8Very high0 Ų025.1 Ų25.10%014%0.141CC..THydrogen-bonded Turntrans91.522.2175.300000115.3A201 S202 A203 N402 R412A201-G205 PolarHBondContact O-N 2.91Å; S202-G205 PolarHBondContact O-N 3.2Å; A203-G205 VanDerWaalsContact C-N 3.35Å; G205-N402 WeakPolarHBondContact CA-O 3.37Å; G205-R412 PolarHBondContact O-NH1 2.92Å; G205-R412 PolarHBondContact O-NH2 3.21Å; G205-R412 VanDerWaalsContact O-NH2 3.12Å
206C91.4Very high90.7Very high0 Ų023.4 Ų23.40%013%0.132CC..  trans-76.2140165.2-630000110.6A201 V208 L227 Q230 I234 S406A201-C206 HydrophobicContact CB-CB 3.98Å; A201-C206 WeakPolarHBondContact O-CB 3.4Å; A201-C206 PolarHBondContact O-N 3.48Å; C206-V208 HydrophobicContact CB-CG1 4.12Å; C206-V208 PolarHBondContact O-N 3.28Å; C206-L227 HydrophobicContact CB-CD1 4.39Å; C206-Q230 HydrophobicContact CB-CB 4.3Å; C206-I234 VanDerWaalsContact SG-CD1 3.51Å; C206-S406 WeakPolarHBondContact O-CA 3.32Å
207H88.1Confident90.6Very high64 Ų6427 Ų2730%0.29615%0.147SC..  trans-83.3107.7172.7-178.159.5000110.5V209 Q230 S406 G408H207-V209 VanDerWaalsContact CE1-CG2 3.48Å; H207-V209 WeakPolarHBondContact CE1-CG2 3.13Å; H207-Q230 PolarHBondContact O-NE2 3.08Å; H207-S406 PolarHBondContact ND1-O 2.81Å; H207-G408 VanDerWaalsContact ND1-CA 3.27Å; H207-G408 WeakPolarHBondContact ND1-CA 3.15Å; H207-G408 PolarHBondContact ND1-N 2.89Å
208V85.3Confident90.3Very high8 Ų832.5 Ų32.55%0.04817%0.173CC..  trans-121.313.5-174.9-59.20000113.9L198 A201 C206 N210 I211 L227L198-V208 HydrophobicContact CD2-CB 4.29Å; L198-V208 HydrophobicContact CD2-CG1 4.32Å; A201-V208 HydrophobicContact CB-CG1 4.28Å; C206-V208 HydrophobicContact CB-CG1 4.12Å; C206-V208 PolarHBondContact O-N 3.28Å; V208-N210 PolarHBondContact O-N 2.93Å; V208-I211 PolarHBondContact O-N 3.45Å; V208-L227 HydrophobicContact CG1-CD1 3.93Å
209V69.9Low90Very high70 Ų7032.2 Ų32.242%0.42417%0.173SC..THydrogen-bonded Turntrans-60-25.4-170.9176.50000113.1H207H207-V209 VanDerWaalsContact CE1-CG2 3.48Å; H207-V209 WeakPolarHBondContact CE1-CG2 3.13Å
210N72.8Confident89.6Confident128 Ų12833.3 Ų33.368%0.68418%0.177SC*.THydrogen-bonded Turntrans-114.326.6-179.9-58.5-35.3000112.9V208V208-N210 PolarHBondContact O-N 2.93Å
211I84.3Confident89.2Confident24 Ų2434.3 Ų34.312%0.12318%0.184CC..  trans-124.7110.2179-44.1-172.3000108.8L198 V208 L216 L223 L227L198-I211 HydrophobicContact CD2-CB 3.98Å; L198-I211 HydrophobicContact CD2-CG2 3.77Å; V208-I211 PolarHBondContact O-N 3.45Å; I211-L216 HydrophobicContact CG2-CD1 4.29Å; I211-L216 HydrophobicContact CG2-CD2 3.86Å; I211-L216 HydrophobicContact CG2-CG 3.88Å; I211-L223 HydrophobicContact CG1-CD2 4.18Å; I211-L223 HydrophobicContact CG2-CB 4.41Å; I211-L227 HydrophobicContact CD1-CB 4.24Å
212G86.8Confident88.5Confident30 Ų3037.5 Ų37.531%0.30920%0.196SC..  trans-88.2159.8171.200000112E214 D215 L216G212-E214 VanDerWaalsContact C-N 3.28Å; G212-E214 PolarHBondContact O-N 3.37Å; G212-D215 WeakPolarHBondContact CA-OD2 3.31Å; G212-D215 PolarHBondContact N-OD2 3.47Å; G212-D215 WeakPolarHBondContact O-CB 3.5Å; G212-D215 PolarHBondContact O-N 3.47Å; G212-L216 PolarHBondContact O-N 3.06Å
213A91.5Very high88.2Confident5 Ų538.3 Ų38.34%0.04120%0.2CC..Hα-helixtrans-63.2-35.2173.300000111.9L194 L198 D215 L216 K217L194-A213 HydrophobicContact CB-CB 3.61Å; L194-A213 HydrophobicContact CD1-CB 4.4Å; L194-A213 WeakPolarHBondContact CD1-O 3.45Å; L198-A213 HydrophobicContact CD1-CB 4.1Å; A213-D215 VanDerWaalsContact C-N 3.31Å; A213-D215 PolarHBondContact O-N 2.89Å; A213-L216 PolarHBondContact O-N 3.07Å; A213-K217 WeakPolarHBondContact O-CB 3.41Å; A213-K217 PolarHBondContact O-N 3.05Å
214E91.6Very high88.2Confident80 Ų8037.9 Ų37.937%0.37420%0.196SC..Hα-helixtrans-64.9-36.1176.1-164.960.7-145.600111.9G212 L216 K217 E218G212-E214 VanDerWaalsContact C-N 3.28Å; G212-E214 PolarHBondContact O-N 3.37Å; E214-L216 VanDerWaalsContact C-N 3.27Å; E214-L216 PolarHBondContact O-N 3.31Å; E214-K217 WeakPolarHBondContact O-CB 3.34Å; E214-K217 PolarHBondContact O-N 3.37Å; E214-K217 IonicContact OE1-NZ 2.67Å; E214-K217 PolarHBondContact OE1-NZ 3.37Å; E214-K217 IonicContact OE2-NZ 3.64Å; E214-K217 PolarHBondContact OE2-NZ 3.26Å; E214-E218 HydrophobicContact CG-CG 4.46Å; E214-E218 WeakPolarHBondContact O-CB 3.49Å; E214-E218 WeakPolarHBondContact O-CG 3.45Å; E214-E218 PolarHBondContact O-N 3.45Å
215D91.3Very high88Confident35 Ų3537.5 Ų37.519%0.18719%0.194CC..Hα-helixtrans-60.3-37.8176-61.9-52.9000112.7G212 A213 G219 K220 L223G212-D215 WeakPolarHBondContact CA-OD2 3.31Å; G212-D215 PolarHBondContact N-OD2 3.47Å; G212-D215 WeakPolarHBondContact O-CB 3.5Å; G212-D215 PolarHBondContact O-N 3.47Å; A213-D215 VanDerWaalsContact C-N 3.31Å; A213-D215 PolarHBondContact O-N 2.89Å; D215-G219 PolarHBondContact O-N 3.24Å; D215-K220 HydrophobicContact CB-CD 3.99Å; D215-K220 WeakPolarHBondContact O-CG 3.32Å; D215-K220 PolarHBondContact O-N 3.39Å; D215-K220 WeakPolarHBondContact OD1-CD 2.98Å; D215-K220 WeakPolarHBondContact OD1-CE 3.43Å; D215-K220 IonicContact OD1-NZ 3.68Å; D215-K220 PolarHBondContact OD1-NZ 3Å; D215-L223 HydrophobicContact CB-CD1 3.56Å
216L94Very high87.9Confident0 Ų038.8 Ų38.80%021%0.208CC..Hα-helixtrans-76.7-36.1176.9-64.6-179.5000112L163 L194 L198 I211 G212 A213 E214 E218 G219 V224 L227L163-L216 HydrophobicContact CD1-CD1 3.8Å; L194-L216 HydrophobicContact CD2-CB 3.84Å; L194-L216 HydrophobicContact CD2-CD1 4.31Å; L198-L216 HydrophobicContact CD1-CD1 4.03Å; L198-L216 HydrophobicContact CD2-CD1 3.62Å; L198-L216 HydrophobicContact CG-CD1 3.7Å; I211-L216 HydrophobicContact CG2-CD1 4.29Å; I211-L216 HydrophobicContact CG2-CD2 3.86Å; I211-L216 HydrophobicContact CG2-CG 3.88Å; G212-L216 PolarHBondContact O-N 3.06Å; A213-L216 PolarHBondContact O-N 3.07Å; E214-L216 VanDerWaalsContact C-N 3.27Å; E214-L216 PolarHBondContact O-N 3.31Å; L216-E218 VanDerWaalsContact C-N 3.34Å; L216-G219 WeakPolarHBondContact O-CA 3.42Å; L216-G219 PolarHBondContact O-N 3.33Å; L216-V224 HydrophobicContact CD2-CG2 4.03Å; L216-L227 HydrophobicContact CD1-CD2 3.97Å; L216-L227 HydrophobicContact CD2-CD2 4.14Å
217K94.6Very high88Confident75 Ų7538.9 Ų38.933%0.32621%0.208SC..Hα-helixtrans-63.4-40.2174.8-176.5167.2147.2-107.90112I190 L194 A213 E214 G219I190-K217 HydrophobicContact CG2-CD 3.97Å; I190-K217 HydrophobicContact CG2-CG 4.31Å; L194-K217 HydrophobicContact CD1-CB 3.66Å; L194-K217 HydrophobicContact CD1-CG 4.43Å; A213-K217 WeakPolarHBondContact O-CB 3.41Å; A213-K217 PolarHBondContact O-N 3.05Å; E214-K217 WeakPolarHBondContact O-CB 3.34Å; E214-K217 PolarHBondContact O-N 3.37Å; E214-K217 IonicContact OE1-NZ 2.67Å; E214-K217 PolarHBondContact OE1-NZ 3.37Å; E214-K217 IonicContact OE2-NZ 3.64Å; E214-K217 PolarHBondContact OE2-NZ 3.26Å; K217-G219 PolarHBondContact O-N 2.96Å
218E92.5Very high88.3Confident117 Ų11736 Ų3655%0.54720%0.195SC..THydrogen-bonded Turntrans-73.4-9.5172.5-70178.917500112.9E214 L216 K220E214-E218 HydrophobicContact CG-CG 4.46Å; E214-E218 WeakPolarHBondContact O-CB 3.49Å; E214-E218 WeakPolarHBondContact O-CG 3.45Å; E214-E218 PolarHBondContact O-N 3.45Å; L216-E218 VanDerWaalsContact C-N 3.34Å; E218-K220 HydrophobicContact CB-CG 4.44Å; E218-K220 WeakPolarHBondContact OE2-CE 3.25Å; E218-K220 IonicContact OE2-NZ 2.77Å; E218-K220 PolarHBondContact OE2-NZ 3.25Å
219G91.7Very high88.7Confident4 Ų437 Ų374%0.04120%0.198CC..THydrogen-bonded Turntrans69.134178.200000113.8F154 D215 L216 K217 P221F154-G219 WeakPolarHBondContact CB-O 3.46Å; F154-G219 VanDerWaalsContact O-CA 3.32Å; F154-G219 WeakPolarHBondContact O-CA 3.23Å; D215-G219 PolarHBondContact O-N 3.24Å; L216-G219 WeakPolarHBondContact O-CA 3.42Å; L216-G219 PolarHBondContact O-N 3.33Å; K217-G219 PolarHBondContact O-N 2.96Å; G219-P221 WeakPolarHBondContact O-CD 3.36Å
220K88.4Confident89.8Confident36 Ų3635.9 Ų35.916%0.15719%0.188CC..  trans-56.1112.5-177.2-71.3-173.9-173.5171.90111.4D215 E218 Y222 L223 V224D215-K220 HydrophobicContact CB-CD 3.99Å; D215-K220 WeakPolarHBondContact O-CG 3.32Å; D215-K220 PolarHBondContact O-N 3.39Å; D215-K220 WeakPolarHBondContact OD1-CD 2.98Å; D215-K220 WeakPolarHBondContact OD1-CE 3.43Å; D215-K220 IonicContact OD1-NZ 3.68Å; D215-K220 PolarHBondContact OD1-NZ 3Å; E218-K220 HydrophobicContact CB-CG 4.44Å; E218-K220 WeakPolarHBondContact OE2-CE 3.25Å; E218-K220 IonicContact OE2-NZ 2.77Å; E218-K220 PolarHBondContact OE2-NZ 3.25Å; K220-Y222 HydrophobicContact CB-CE1 4.1Å; K220-Y222 PolarHBondContact O-N 3.27Å; K220-L223 HydrophobicContact CB-CB 4.33Å; K220-L223 HydrophobicContact CB-CD1 4.08Å; K220-L223 HydrophobicContact CB-CG 4.33Å; K220-L223 HydrophobicContact CD-CD1 4.04Å; K220-L223 PolarHBondContact O-N 3.45Å; K220-L223 VanDerWaalsContact O-N 3.09Å; K220-V224 WeakPolarHBondContact O-CG2 3.24Å; K220-V224 PolarHBondContact O-N 3.44Å
221P87.8Confident90.9Very high22 Ų2230 Ų3014%0.14316%0.156CC..Hα-helixtrans-55.9-48-164.1-3438.7000115.6I103 Y118 F154 G219 L223 V224 L225I103-P221 HydrophobicContact CD1-CG 4.17Å; Y118-P221 HydrophobicContact CD1-CB 3.36Å; Y118-P221 HydrophobicContact CD1-CG 4.11Å; Y118-P221 HydrophobicContact CD2-CB 4.09Å; Y118-P221 HydrophobicContact CE1-CB 3.62Å; Y118-P221 HydrophobicContact CE1-CG 3.93Å; Y118-P221 HydrophobicContact CE2-CB 4.3Å; Y118-P221 HydrophobicContact CG-CB 3.63Å; F154-P221 HydrophobicContact CD1-CB 4.23Å; F154-P221 HydrophobicContact CD1-CG 4.35Å; F154-P221 HydrophobicContact CD2-CB 4.45Å; F154-P221 HydrophobicContact CD2-CG 4.05Å; F154-P221 VanDerWaalsContact CE1-CA 3.44Å; F154-P221 HydrophobicContact CE1-CB 3.69Å; F154-P221 HydrophobicContact CE1-CG 4.24Å; F154-P221 HydrophobicContact CE2-CB 3.92Å; F154-P221 HydrophobicContact CE2-CG 3.9Å; F154-P221 HydrophobicContact CG-CG 4.29Å; F154-P221 HydrophobicContact CZ-CB 3.52Å; F154-P221 HydrophobicContact CZ-CG 4.01Å; G219-P221 WeakPolarHBondContact O-CD 3.36Å; P221-L223 VanDerWaalsContact C-N 3.32Å; P221-L223 PolarHBondContact O-N 3.33Å; P221-V224 PolarHBondContact O-N 3.16Å; P221-L225 WeakPolarHBondContact O-CB 3.12Å; P221-L225 VanDerWaalsContact O-CG 3.31Å; P221-L225 WeakPolarHBondContact O-CG 3.26Å; P221-L225 PolarHBondContact O-N 3.41Å
222Y83.1Confident91.3Very high66 Ų6628.9 Ų28.926%0.25915%0.151SC..Hα-helixtrans-65.7-33-17866-79.7000113H116 K220 G226H116-Y222 HydrophobicContact CB-CD1 3.42Å; H116-Y222 VanDerWaalsContact CB-CD1 3.42Å; H116-Y222 HydrophobicContact CB-CD2 4.16Å; H116-Y222 HydrophobicContact CB-CE1 3.56Å; H116-Y222 HydrophobicContact CB-CE2 4.24Å; H116-Y222 HydrophobicContact CB-CG 3.77Å; H116-Y222 AromaticContact CD2-CE1 3.8Å; H116-Y222 AromaticContact CD2-CZ 3.51Å; H116-Y222 AromaticContact CE1-CE2 3.96Å; H116-Y222 AromaticContact CG-CD1 3.96Å; H116-Y222 AromaticContact CG-CE1 3.68Å; H116-Y222 AromaticContact CG-CE2 3.73Å; H116-Y222 AromaticContact CG-CZ 3.57Å; H116-Y222 AromaticContact ND1-CD2 3.98Å; H116-Y222 AromaticContact ND1-CE2 3.71Å; H116-Y222 AromaticContact NE2-CZ 3.93Å; K220-Y222 HydrophobicContact CB-CE1 4.1Å; K220-Y222 PolarHBondContact O-N 3.27Å; Y222-G226 PolarHBondContact O-N 2.87Å
223L87.5Confident91.5Very high21 Ų2129.7 Ų29.711%0.1115%0.146CC..Hα-helixtrans-76.5-43.5177.5-63179000111.2I211 D215 K220 P221 G226 L227I211-L223 HydrophobicContact CG1-CD2 4.18Å; I211-L223 HydrophobicContact CG2-CB 4.41Å; D215-L223 HydrophobicContact CB-CD1 3.56Å; K220-L223 HydrophobicContact CB-CB 4.33Å; K220-L223 HydrophobicContact CB-CD1 4.08Å; K220-L223 HydrophobicContact CB-CG 4.33Å; K220-L223 HydrophobicContact CD-CD1 4.04Å; K220-L223 PolarHBondContact O-N 3.45Å; K220-L223 VanDerWaalsContact O-N 3.09Å; P221-L223 VanDerWaalsContact C-N 3.32Å; P221-L223 PolarHBondContact O-N 3.33Å; L223-G226 PolarHBondContact O-N 3.18Å; L223-L227 WeakPolarHBondContact O-CB 3.45Å; L223-L227 PolarHBondContact O-N 3.07Å
224V93.9Very high91.6Very high0 Ų031 Ų310%015%0.152CC..Hα-helixtrans-61-51.8176.8171.60000110.6L153 F154 V157 L216 K220 P221 G226 L227 L228L153-V224 HydrophobicContact CG-CG1 4.49Å; F154-V224 HydrophobicContact CD1-CB 4.06Å; F154-V224 HydrophobicContact CD1-CG1 4.01Å; F154-V224 HydrophobicContact CD1-CG2 4.42Å; F154-V224 HydrophobicContact CE1-CB 4.34Å; F154-V224 HydrophobicContact CE1-CG1 4.32Å; V157-V224 HydrophobicContact CG1-CG1 4.18Å; V157-V224 HydrophobicContact CG2-CB 4.46Å; V157-V224 HydrophobicContact CG2-CG1 3.78Å; V157-V224 HydrophobicContact CG2-CG2 3.77Å; L216-V224 HydrophobicContact CD2-CG2 4.03Å; K220-V224 WeakPolarHBondContact O-CG2 3.24Å; K220-V224 PolarHBondContact O-N 3.44Å; P221-V224 PolarHBondContact O-N 3.16Å; V224-G226 PolarHBondContact O-N 3.48Å; V224-L227 PolarHBondContact O-N 3.4Å; V224-L228 HydrophobicContact CG1-CD1 3.77Å; V224-L228 HydrophobicContact CG1-CG 4.43Å; V224-L228 WeakPolarHBondContact O-CB 3.49Å; V224-L228 WeakPolarHBondContact O-CG 3.43Å; V224-L228 PolarHBondContact O-N 3.38Å
225L90.4Very high91.6Very high2 Ų228 Ų281%0.0114%0.143CC..Hα-helixtrans-66.2-38.1179.8-66.4171.9000112.1Y118 K123 F126 L153 F154 P221 W229Y118-L225 HydrophobicContact CD2-CD1 3.47Å; Y118-L225 VanDerWaalsContact CD2-CD1 3.47Å; Y118-L225 HydrophobicContact CE2-CD1 4.41Å; Y118-L225 HydrophobicContact CG-CD1 4.03Å; K123-L225 HydrophobicContact CB-CD1 4.34Å; K123-L225 HydrophobicContact CB-CD2 4.13Å; F126-L225 HydrophobicContact CD2-CD2 3.6Å; F126-L225 HydrophobicContact CE2-CB 4.39Å; F126-L225 HydrophobicContact CE2-CD2 4.06Å; L153-L225 HydrophobicContact CD2-CD2 3.63Å; F154-L225 HydrophobicContact CE1-CD1 4.24Å; F154-L225 HydrophobicContact CE1-CD2 4.33Å; F154-L225 HydrophobicContact CE1-CG 3.98Å; F154-L225 HydrophobicContact CZ-CD1 4.12Å; F154-L225 HydrophobicContact CZ-CG 4.35Å; P221-L225 WeakPolarHBondContact O-CB 3.12Å; P221-L225 VanDerWaalsContact O-CG 3.31Å; P221-L225 WeakPolarHBondContact O-CG 3.26Å; P221-L225 PolarHBondContact O-N 3.41Å; L225-W229 VanDerWaalsContact O-CB 3.29Å; L225-W229 WeakPolarHBondContact O-CB 3.44Å; L225-W229 PolarHBondContact O-N 2.74Å
226G89.1Confident91.7Very high27 Ų2726.9 Ų26.928%0.27814%0.137SC..Hα-helixtrans-62.8-42.3175.600000112.9Y222 L223 V224 Q230Y222-G226 PolarHBondContact O-N 2.87Å; L223-G226 PolarHBondContact O-N 3.18Å; V224-G226 PolarHBondContact O-N 3.48Å; G226-Q230 WeakPolarHBondContact O-CG 3Å; G226-Q230 PolarHBondContact O-N 2.91Å; G226-Q230 PolarHBondContact O-NE2 2.95Å
227L92.8Very high91.5Very high3 Ų327.9 Ų27.92%0.01614%0.141CC..Hα-helixtrans-69.4-49.3176.3178.859.1000111.6L163 L198 A201 C206 V208 I211 L216 L223 V224 W229 Q230 V231L163-L227 HydrophobicContact CD1-CD2 4.5Å; L163-L227 HydrophobicContact CD2-CD2 4.41Å; L198-L227 HydrophobicContact CD2-CD2 4.21Å; A201-L227 HydrophobicContact CB-CD1 3.87Å; C206-L227 HydrophobicContact CB-CD1 4.39Å; V208-L227 HydrophobicContact CG1-CD1 3.93Å; I211-L227 HydrophobicContact CD1-CB 4.24Å; L216-L227 HydrophobicContact CD1-CD2 3.97Å; L216-L227 HydrophobicContact CD2-CD2 4.14Å; L223-L227 WeakPolarHBondContact O-CB 3.45Å; L223-L227 PolarHBondContact O-N 3.07Å; V224-L227 PolarHBondContact O-N 3.4Å; L227-W229 VanDerWaalsContact C-N 3.3Å; L227-W229 PolarHBondContact O-N 2.6Å; L227-Q230 PolarHBondContact O-N 2.98Å; L227-Q230 VanDerWaalsContact O-N 3.13Å; L227-V231 HydrophobicContact CD1-CG2 4.31Å; L227-V231 WeakPolarHBondContact O-CG2 3.38Å; L227-V231 PolarHBondContact O-N 2.86Å
228L95.3Very high91.2Very high2 Ų225.7 Ų25.71%0.0114%0.137CC..Hα-helixtrans-57.4-44.1178.5-77.5171.7000111.4F126 I130 L153 L163 M166 V224 Q230 V231 I232F126-L228 HydrophobicContact CD2-CB 4.2Å; I130-L228 HydrophobicContact CD1-CD1 4.16Å; I130-L228 HydrophobicContact CD1-CD2 4.21Å; L153-L228 HydrophobicContact CD1-CD1 3.93Å; L153-L228 HydrophobicContact CD2-CD1 4.06Å; L153-L228 HydrophobicContact CG-CD1 4.32Å; L163-L228 HydrophobicContact CD2-CD2 3.82Å; L163-L228 HydrophobicContact CD2-CG 4.28Å; M166-L228 HydrophobicContact CG-CD2 4.37Å; V224-L228 HydrophobicContact CG1-CD1 3.77Å; V224-L228 HydrophobicContact CG1-CG 4.43Å; V224-L228 WeakPolarHBondContact O-CB 3.49Å; V224-L228 WeakPolarHBondContact O-CG 3.43Å; V224-L228 PolarHBondContact O-N 3.38Å; L228-Q230 VanDerWaalsContact C-N 3.34Å; L228-Q230 PolarHBondContact O-N 2.94Å; L228-V231 PolarHBondContact O-N 3.43Å; L228-I232 HydrophobicContact CB-CD1 4.45Å; L228-I232 WeakPolarHBondContact O-CB 3.47Å; L228-I232 WeakPolarHBondContact O-CD1 3.39Å; L228-I232 WeakPolarHBondContact O-CG1 3.24Å; L228-I232 PolarHBondContact O-N 3.2Å
229W92.8Very high90.9Very high30 Ų3023.8 Ų23.811%0.11413%0.131CC..Hα-helixtrans-58.3-45.9176172.1-116000112.4F126 L225 L227 V231 I232 K233 K361 A365F126-W229 AromaticContact CE1-CE3 3.9Å; F126-W229 HydrophobicContact CE1-CE3 3.9Å; F126-W229 HydrophobicContact CE2-CB 4.03Å; F126-W229 HydrophobicContact CZ-CB 3.8Å; F126-W229 HydrophobicContact CZ-CD2 4.36Å; F126-W229 AromaticContact CZ-CE3 3.79Å; F126-W229 HydrophobicContact CZ-CE3 3.79Å; F126-W229 HydrophobicContact CZ-CG 4.39Å; L225-W229 VanDerWaalsContact O-CB 3.29Å; L225-W229 WeakPolarHBondContact O-CB 3.44Å; L225-W229 PolarHBondContact O-N 2.74Å; L227-W229 VanDerWaalsContact C-N 3.3Å; L227-W229 PolarHBondContact O-N 2.6Å; W229-V231 VanDerWaalsContact C-N 3.32Å; W229-V231 PolarHBondContact O-N 3.45Å; W229-I232 HydrophobicContact CE3-CG2 4.32Å; W229-I232 HydrophobicContact CZ3-CG2 4.25Å; W229-I232 PolarHBondContact O-N 3.35Å; W229-K233 HydrophobicContact CD2-CB 4.4Å; W229-K233 HydrophobicContact CH2-CB 4.37Å; W229-K233 HydrophobicContact CH2-CG 4.5Å; W229-K233 HydrophobicContact CZ2-CB 4.04Å; W229-K233 HydrophobicContact CZ2-CD 3.82Å; W229-K233 HydrophobicContact CZ2-CG 4.02Å; W229-K233 WeakPolarHBondContact O-CB 3.19Å; W229-K233 PolarHBondContact O-N 2.85Å; W229-K361 HydrophobicContact CB-CD 4.49Å; W229-K361 HydrophobicContact CD2-CD 3.32Å; W229-K361 VanDerWaalsContact CD2-CE 3.45Å; W229-K361 HydrophobicContact CD2-CG 3.62Å; W229-K361 HydrophobicContact CE3-CD 3.56Å; W229-K361 HydrophobicContact CE3-CG 3.72Å; W229-K361 HydrophobicContact CG-CD 3.72Å; W229-K361 HydrophobicContact CG-CG 4.44Å; W229-K361 HydrophobicContact CH2-CD 4.19Å; W229-K361 HydrophobicContact CH2-CG 3.38Å; W229-K361 HydrophobicContact CZ2-CD 4.01Å; W229-K361 HydrophobicContact CZ2-CG 3.29Å; W229-K361 HydrophobicContact CZ3-CD 3.98Å; W229-K361 HydrophobicContact CZ3-CG 3.59Å; W229-A365 HydrophobicContact CH2-CB 4.17Å; W229-A365 HydrophobicContact CZ3-CB 3.96Å
230Q93.1Very high90.8Very high46 Ų4623.6 Ų23.622%0.21513%0.129CC..Hα-helixtrans-61.4-42.8179.3-72.8179.183.100111.6C206 H207 G226 L227 L228 I234C206-Q230 HydrophobicContact CB-CB 4.3Å; H207-Q230 PolarHBondContact O-NE2 3.08Å; G226-Q230 WeakPolarHBondContact O-CG 3Å; G226-Q230 PolarHBondContact O-N 2.91Å; G226-Q230 PolarHBondContact O-NE2 2.95Å; L227-Q230 PolarHBondContact O-N 2.98Å; L227-Q230 VanDerWaalsContact O-N 3.13Å; L228-Q230 VanDerWaalsContact C-N 3.34Å; L228-Q230 PolarHBondContact O-N 2.94Å; Q230-I234 WeakPolarHBondContact O-CD1 3.49Å; Q230-I234 VanDerWaalsContact O-CG1 3.3Å; Q230-I234 WeakPolarHBondContact O-CG1 3.38Å; Q230-I234 PolarHBondContact O-N 3.34Å; Q230-I234 VanDerWaalsContact O-N 3.08Å
231V95.8Very high90.6Very high4 Ų424.4 Ų24.42%0.02413%0.133CC..Hα-helixtrans-63.8-51.5177.1173.70000110.9M166 I167 S170 L227 L228 W229 K233 I234 G235M166-V231 HydrophobicContact CB-CG1 4.21Å; I167-V231 HydrophobicContact CG1-CG1 4.2Å; I167-V231 HydrophobicContact CG1-CG2 4.12Å; S170-V231 WeakPolarHBondContact CB-O 3.29Å; S170-V231 WeakPolarHBondContact OG-CG1 3.33Å; S170-V231 PolarHBondContact OG-O 3.21Å; L227-V231 HydrophobicContact CD1-CG2 4.31Å; L227-V231 WeakPolarHBondContact O-CG2 3.38Å; L227-V231 PolarHBondContact O-N 2.86Å; L228-V231 PolarHBondContact O-N 3.43Å; W229-V231 VanDerWaalsContact C-N 3.32Å; W229-V231 PolarHBondContact O-N 3.45Å; V231-K233 VanDerWaalsContact C-N 3.32Å; V231-K233 PolarHBondContact O-N 3.45Å; V231-I234 PolarHBondContact O-N 2.84Å; V231-G235 PolarHBondContact O-N 3.19Å; V231-G235 VanDerWaalsContact O-N 3.15Å
232I93.4Very high90.4Very high1 Ų123.6 Ų23.61%0.00513%0.128CC..Hα-helixtrans-52.7-50.9175.9-72.7164.6000110.8F126 W129 L228 W229 I234 G235 L236 F349F126-I232 HydrophobicContact CB-CD1 4.35Å; F126-I232 HydrophobicContact CD1-CD1 3.54Å; F126-I232 HydrophobicContact CD2-CD1 4.34Å; F126-I232 HydrophobicContact CE1-CD1 3.9Å; F126-I232 HydrophobicContact CG-CD1 3.81Å; F126-I232 HydrophobicContact CZ-CD1 4.44Å; W129-I232 HydrophobicContact CD2-CG1 4.49Å; W129-I232 HydrophobicContact CE3-CD1 3.75Å; W129-I232 HydrophobicContact CE3-CG1 3.67Å; W129-I232 HydrophobicContact CH2-CG1 3.74Å; W129-I232 HydrophobicContact CZ3-CB 4.4Å; W129-I232 HydrophobicContact CZ3-CD1 3.78Å; W129-I232 HydrophobicContact CZ3-CG1 3.2Å; L228-I232 HydrophobicContact CB-CD1 4.45Å; L228-I232 WeakPolarHBondContact O-CB 3.47Å; L228-I232 WeakPolarHBondContact O-CD1 3.39Å; L228-I232 WeakPolarHBondContact O-CG1 3.24Å; L228-I232 PolarHBondContact O-N 3.2Å; W229-I232 HydrophobicContact CE3-CG2 4.32Å; W229-I232 HydrophobicContact CZ3-CG2 4.25Å; W229-I232 PolarHBondContact O-N 3.35Å; I232-I234 VanDerWaalsContact C-N 3.33Å; I232-I234 PolarHBondContact O-N 3.14Å; I232-G235 PolarHBondContact O-N 2.85Å; I232-G235 VanDerWaalsContact O-N 3.15Å; I232-L236 HydrophobicContact CG2-CD1 3.65Å; I232-L236 HydrophobicContact CG2-CG 4.12Å; I232-L236 WeakPolarHBondContact O-CG 3.3Å; I232-L236 PolarHBondContact O-N 3.2Å; I232-F349 HydrophobicContact CG2-CE1 3.73Å; I232-F349 HydrophobicContact CG2-CZ 4.08Å
233K91.6Very high90.2Very high48 Ų4822.8 Ų22.821%0.20913%0.131CC..Hα-helixtrans-60.7-42-177.1-173.4-177.7-178.9-176.30111.8W229 V231 G235 L236 F237 E267W229-K233 HydrophobicContact CD2-CB 4.4Å; W229-K233 HydrophobicContact CH2-CB 4.37Å; W229-K233 HydrophobicContact CH2-CG 4.5Å; W229-K233 HydrophobicContact CZ2-CB 4.04Å; W229-K233 HydrophobicContact CZ2-CD 3.82Å; W229-K233 HydrophobicContact CZ2-CG 4.02Å; W229-K233 WeakPolarHBondContact O-CB 3.19Å; W229-K233 PolarHBondContact O-N 2.85Å; V231-K233 VanDerWaalsContact C-N 3.32Å; V231-K233 PolarHBondContact O-N 3.45Å; K233-G235 VanDerWaalsContact C-N 3.34Å; K233-G235 PolarHBondContact O-N 2.86Å; K233-L236 PolarHBondContact O-N 3.25Å; K233-F237 HydrophobicContact CD-CE2 4.23Å; K233-F237 HydrophobicContact CG-CD2 3.94Å; K233-F237 HydrophobicContact CG-CE2 3.85Å; K233-F237 HydrophobicContact CG-CG 4.45Å; K233-F237 HydrophobicContact CG-CZ 4.24Å; K233-F237 WeakPolarHBondContact O-CB 3.42Å; K233-F237 WeakPolarHBondContact O-CG 3.45Å; K233-F237 PolarHBondContact O-N 2.88Å; K233-F237 VanDerWaalsContact O-N 3.08Å; K233-E267 WeakPolarHBondContact CE-OE1 3.33Å; K233-E267 IonicContact NZ-OE1 2.67Å; K233-E267 PolarHBondContact NZ-OE1 3.38Å
234I92.1Very high89.9Confident31 Ų3128.4 Ų28.416%0.15915%0.151CC..Hα-helixtrans-59.5-46.5175.9-71.9164.1000110.5V171 I204 C206 Q230 V231 I232 F237 A238V171-I234 HydrophobicContact CG2-CG2 3.65Å; I204-I234 HydrophobicContact CD1-CD1 3.93Å; I204-I234 HydrophobicContact CD1-CG2 4.41Å; I204-I234 HydrophobicContact CG1-CD1 4Å; I204-I234 WeakPolarHBondContact O-CD1 3.31Å; C206-I234 VanDerWaalsContact SG-CD1 3.51Å; Q230-I234 WeakPolarHBondContact O-CD1 3.49Å; Q230-I234 VanDerWaalsContact O-CG1 3.3Å; Q230-I234 WeakPolarHBondContact O-CG1 3.38Å; Q230-I234 PolarHBondContact O-N 3.34Å; Q230-I234 VanDerWaalsContact O-N 3.08Å; V231-I234 PolarHBondContact O-N 2.84Å; I232-I234 VanDerWaalsContact C-N 3.33Å; I232-I234 PolarHBondContact O-N 3.14Å; I234-F237 PolarHBondContact O-N 2.67Å; I234-A238 PolarHBondContact O-N 3.44Å; I234-A238 VanDerWaalsContact O-N 3.13Å
235G92.5Very high89.4Confident19 Ų1930 Ų3020%0.19616%0.16CC..Hα-helixtrans-65.5-45.2179.100000113S170 V231 I232 K233 F237 A238S170-G235 WeakPolarHBondContact O-CA 3.45Å; V231-G235 PolarHBondContact O-N 3.19Å; V231-G235 VanDerWaalsContact O-N 3.15Å; I232-G235 PolarHBondContact O-N 2.85Å; I232-G235 VanDerWaalsContact O-N 3.15Å; K233-G235 VanDerWaalsContact C-N 3.34Å; K233-G235 PolarHBondContact O-N 2.86Å; G235-F237 PolarHBondContact O-N 2.86Å; G235-A238 WeakPolarHBondContact O-CB 3.45Å; G235-A238 PolarHBondContact O-N 3.43Å
236L92.3Very high89.1Confident11 Ų1134 Ų346%0.05818%0.178CC..Hα-helixtrans-62.1-31.7178.9-73.2177.4000112.8I232 K233 I240 F349 A365 A368 N369 N372I232-L236 HydrophobicContact CG2-CD1 3.65Å; I232-L236 HydrophobicContact CG2-CG 4.12Å; I232-L236 WeakPolarHBondContact O-CG 3.3Å; I232-L236 PolarHBondContact O-N 3.2Å; K233-L236 PolarHBondContact O-N 3.25Å; L236-I240 WeakPolarHBondContact O-CD1 3.43Å; L236-F349 HydrophobicContact CD1-CE1 4.35Å; L236-F349 HydrophobicContact CD1-CE2 4.11Å; L236-F349 HydrophobicContact CD1-CZ 3.84Å; L236-F349 HydrophobicContact CD2-CE2 4.03Å; L236-F349 HydrophobicContact CD2-CZ 4.07Å; L236-F349 HydrophobicContact CG-CZ 4.36Å; L236-A365 HydrophobicContact CD1-CB 3.74Å; L236-A368 HydrophobicContact CB-CB 4.04Å; L236-A368 HydrophobicContact CD1-CB 4.43Å; L236-N369 HydrophobicContact CD2-CB 4.47Å; L236-N372 PolarHBondContact O-ND2 3.26Å
237F91.7Very high89Confident20 Ų2033.4 Ų33.49%0.08817%0.171CC..Hα-helixtrans-97.8-2.6-175-68.52.5000113.4K233 I234 G235 D239 I240 P266 E267 L270 L364 A368K233-F237 HydrophobicContact CD-CE2 4.23Å; K233-F237 HydrophobicContact CG-CD2 3.94Å; K233-F237 HydrophobicContact CG-CE2 3.85Å; K233-F237 HydrophobicContact CG-CG 4.45Å; K233-F237 HydrophobicContact CG-CZ 4.24Å; K233-F237 WeakPolarHBondContact O-CB 3.42Å; K233-F237 WeakPolarHBondContact O-CG 3.45Å; K233-F237 PolarHBondContact O-N 2.88Å; K233-F237 VanDerWaalsContact O-N 3.08Å; I234-F237 PolarHBondContact O-N 2.67Å; G235-F237 PolarHBondContact O-N 2.86Å; F237-D239 VanDerWaalsContact C-N 3.26Å; F237-D239 PolarHBondContact O-N 2.78Å; F237-I240 HydrophobicContact CD1-CD1 3.74Å; F237-I240 HydrophobicContact CE1-CD1 4.33Å; F237-I240 HydrophobicContact CG-CD1 4.43Å; F237-I240 PolarHBondContact O-N 2.85Å; F237-I240 VanDerWaalsContact O-N 3.15Å; F237-P266 HydrophobicContact CB-CB 3.85Å; F237-P266 HydrophobicContact CB-CG 4.12Å; F237-P266 HydrophobicContact CD1-CB 4.46Å; F237-P266 HydrophobicContact CD2-CB 3.43Å; F237-P266 VanDerWaalsContact CD2-CB 3.43Å; F237-P266 HydrophobicContact CD2-CG 3.97Å; F237-P266 HydrophobicContact CE2-CB 3.98Å; F237-P266 HydrophobicContact CG-CB 3.69Å; F237-P266 HydrophobicContact CG-CG 4.35Å; F237-E267 VanDerWaalsContact CE2-CD 3.49Å; F237-E267 HydrophobicContact CE2-CG 3.78Å; F237-E267 HydrophobicContact CZ-CG 4.01Å; F237-L270 HydrophobicContact CD1-CD1 4.47Å; F237-L270 HydrophobicContact CE1-CD1 3.83Å; F237-L270 HydrophobicContact CZ-CD1 4.31Å; F237-L364 HydrophobicContact CE1-CG 4.35Å; F237-L364 HydrophobicContact CZ-CD1 4.02Å; F237-L364 HydrophobicContact CZ-CD2 3.82Å; F237-L364 HydrophobicContact CZ-CG 3.81Å; F237-A368 HydrophobicContact CD1-CB 4.07Å; F237-A368 HydrophobicContact CE1-CB 3.74Å
238A87.6Confident88.8Confident30 Ų3033.3 Ų33.325%0.24817%0.17CC..THydrogen-bonded Turntrans-56.5-40.4-175.900000112.2I234 G235 R244I234-A238 PolarHBondContact O-N 3.44Å; I234-A238 VanDerWaalsContact O-N 3.13Å; G235-A238 WeakPolarHBondContact O-CB 3.45Å; G235-A238 PolarHBondContact O-N 3.43Å; A238-R244 WeakPolarHBondContact O-CD 3.37Å; A238-R244 PolarHBondContact O-NE 2.84Å
239D85.5Confident88.4Confident76 Ų7633.4 Ų33.441%0.40617%0.171SC..THydrogen-bonded Turntrans-98.36-177.2-58.7-38.6000113.6F237 E241 R244F237-D239 VanDerWaalsContact C-N 3.26Å; F237-D239 PolarHBondContact O-N 2.78Å; D239-E241 PolarHBondContact O-N 3.3Å; D239-R244 IonicContact OD1-NH1 2.82Å
240I90Very high88.3Confident1 Ų133 Ų331%0.00518%0.175CC..  trans-93.753.7177.7-45.8-177000108.8L236 F237 P266 L269 L270 A368 F371L236-I240 WeakPolarHBondContact O-CD1 3.43Å; F237-I240 HydrophobicContact CD1-CD1 3.74Å; F237-I240 HydrophobicContact CE1-CD1 4.33Å; F237-I240 HydrophobicContact CG-CD1 4.43Å; F237-I240 PolarHBondContact O-N 2.85Å; F237-I240 VanDerWaalsContact O-N 3.15Å; I240-P266 HydrophobicContact CB-CB 4.26Å; I240-P266 HydrophobicContact CG2-CB 4.24Å; I240-L269 HydrophobicContact CG2-CB 4.07Å; I240-L270 HydrophobicContact CD1-CD1 3.66Å; I240-L270 HydrophobicContact CD1-CD2 3.73Å; I240-L270 HydrophobicContact CD1-CG 3.73Å; I240-L270 HydrophobicContact CG2-CD2 4.31Å; I240-L270 HydrophobicContact CG2-CG 4.07Å; I240-A368 HydrophobicContact CD1-CB 4.04Å; I240-F371 HydrophobicContact CB-CE1 4.34Å; I240-F371 HydrophobicContact CD1-CD1 4.1Å; I240-F371 HydrophobicContact CG1-CD1 3.71Å; I240-F371 HydrophobicContact CG1-CE1 3.82Å; I240-F371 HydrophobicContact CG2-CE1 4.37Å
241E85.1Confident88.2Confident52 Ų5231.1 Ų31.124%0.24317%0.166CC..SBendtrans-146.6145.9177.663.8177.4-161.900110.2D239 S243 R244 N245D239-E241 PolarHBondContact O-N 3.3Å; E241-S243 VanDerWaalsContact C-N 3.28Å; E241-S243 VanDerWaalsContact CD-OG 3.29Å; E241-S243 WeakPolarHBondContact CG-OG 3.35Å; E241-S243 PolarHBondContact O-N 3.47Å; E241-S243 PolarHBondContact OE1-OG 3.1Å; E241-R244 HydrophobicContact CG-CB 3.95Å; E241-R244 HydrophobicContact CG-CG 3.91Å; E241-R244 PolarHBondContact O-N 2.76Å; E241-R244 VanDerWaalsContact O-N 3.16Å; E241-R244 WeakPolarHBondContact OE1-CD 3.34Å; E241-R244 VanDerWaalsContact OE1-CG 3.24Å; E241-R244 WeakPolarHBondContact OE1-CG 3.34Å; E241-R244 IonicContact OE1-CZ 2.88Å; E241-R244 IonicContact OE1-NE 2.83Å; E241-R244 PolarHBondContact OE1-NE 3.49Å; E241-N245 PolarHBondContact O-N 2.87Å
242L82.1Confident87.8Confident6 Ų634 Ų343%0.03118%0.181CC..THydrogen-bonded Turntrans-64-32.5-173.5-85.778.4000113.3R244 N245 L248 I249 L258 L261 M262 L269 L390L242-R244 PolarHBondContact O-N 3.47Å; L242-N245 CarbonylContact O-C 3.49Å; L242-L248 HydrophobicContact CD1-CB 4.08Å; L242-L248 HydrophobicContact CD1-CD1 4.34Å; L242-L248 HydrophobicContact CG-CB 4.04Å; L242-I249 HydrophobicContact CD2-CG1 4.01Å; L242-L258 HydrophobicContact CD2-CD1 3.44Å; L242-L258 VanDerWaalsContact CD2-CD1 3.44Å; L242-L258 HydrophobicContact CD2-CG 4.41Å; L242-L261 HydrophobicContact CD1-CD2 4.31Å; L242-L261 HydrophobicContact CD1-CG 4.02Å; L242-L261 HydrophobicContact CD2-CD2 3.86Å; L242-L261 HydrophobicContact CD2-CG 4.12Å; L242-M262 HydrophobicContact CB-CG 4.45Å; L242-M262 HydrophobicContact CD2-CG 4.07Å; L242-L269 HydrophobicContact CD1-CD1 4.28Å; L242-L269 HydrophobicContact CD1-CD2 4.24Å; L242-L390 HydrophobicContact CB-CD2 4.13Å; L242-L390 HydrophobicContact CD2-CD2 4.38Å
243S79.2Confident87.6Confident48 Ų4840.1 Ų40.134%0.33620%0.204SC..THydrogen-bonded Turntrans-64.9-21.3178.445.10000113.6E241E241-S243 VanDerWaalsContact C-N 3.28Å; E241-S243 VanDerWaalsContact CD-OG 3.29Å; E241-S243 WeakPolarHBondContact CG-OG 3.35Å; E241-S243 PolarHBondContact O-N 3.47Å; E241-S243 PolarHBondContact OE1-OG 3.1Å
244R80.6Confident87.2Confident140 Ų14047.6 Ų47.653%0.52824%0.239SC..THydrogen-bonded Turntrans-108.3-29.9177.9-70.9-179.5-174.2-120.9-3.6113.2A238 D239 E241 L242A238-R244 WeakPolarHBondContact O-CD 3.37Å; A238-R244 PolarHBondContact O-NE 2.84Å; D239-R244 IonicContact OD1-NH1 2.82Å; E241-R244 HydrophobicContact CG-CB 3.95Å; E241-R244 HydrophobicContact CG-CG 3.91Å; E241-R244 PolarHBondContact O-N 2.76Å; E241-R244 VanDerWaalsContact O-N 3.16Å; E241-R244 WeakPolarHBondContact OE1-CD 3.34Å; E241-R244 VanDerWaalsContact OE1-CG 3.24Å; E241-R244 WeakPolarHBondContact OE1-CG 3.34Å; E241-R244 IonicContact OE1-CZ 2.88Å; E241-R244 IonicContact OE1-NE 2.83Å; E241-R244 PolarHBondContact OE1-NE 3.49Å; L242-R244 PolarHBondContact O-N 3.47Å
245N84.8Confident86.8Confident32 Ų3250.4 Ų50.417%0.17128%0.276CS..  trans-129.187.2179.7-169.6-15.4000110.4E241 L242 A247 L248 F371E241-N245 PolarHBondContact O-N 2.87Å; L242-N245 CarbonylContact O-C 3.49Å; N245-A247 PolarHBondContact O-N 3.3Å; N245-A247 VanDerWaalsContact O-N 3.09Å; N245-A247 VanDerWaalsContact OD1-CB 3.27Å; N245-A247 WeakPolarHBondContact OD1-CB 3.18Å; N245-A247 PolarHBondContact OD1-N 3.47Å; N245-L248 HydrophobicContact CB-CD1 4.12Å; N245-L248 HydrophobicContact CB-CG 4.29Å; N245-L248 VanDerWaalsContact O-CB 3.3Å; N245-L248 WeakPolarHBondContact O-CB 3.21Å; N245-L248 WeakPolarHBondContact O-CG 3.06Å; N245-L248 PolarHBondContact O-N 3.16Å; N245-L248 VanDerWaalsContact O-N 3.07Å; N245-F371 WeakPolarHBondContact ND2-CZ 3.22Å
246E83.9Confident86.5Confident86 Ų8651.7 Ų51.740%0.40228%0.277SS..G310 helixtrans-60.1-20.8179.3-62.2-179.1179.500113.1L248 I249 K379 W387E246-L248 PolarHBondContact O-N 3.02Å; E246-I249 HydrophobicContact CB-CD1 4.41Å; E246-I249 WeakPolarHBondContact O-CB 3.38Å; E246-I249 WeakPolarHBondContact O-CD1 3.43Å; E246-I249 WeakPolarHBondContact O-CG1 3.37Å; E246-I249 PolarHBondContact O-N 2.93Å; E246-I249 VanDerWaalsContact O-N 3.1Å; E246-K379 WeakPolarHBondContact OE2-CE 3.42Å; E246-K379 IonicContact OE2-NZ 3.96Å; E246-K379 PolarHBondContact OE2-NZ 3.39Å; E246-W387 HydrophobicContact CB-CZ3 4.47Å
247A86.3Confident86.2Confident16 Ų1653.5 Ų53.513%0.13229%0.291CS..G310 helixtrans-64.7-21.3177.600000112.1N245 I249 A250 L377N245-A247 PolarHBondContact O-N 3.3Å; N245-A247 VanDerWaalsContact O-N 3.09Å; N245-A247 VanDerWaalsContact OD1-CB 3.27Å; N245-A247 WeakPolarHBondContact OD1-CB 3.18Å; N245-A247 PolarHBondContact OD1-N 3.47Å; A247-I249 PolarHBondContact O-N 2.88Å; A247-I249 VanDerWaalsContact O-N 3.12Å; A247-A250 VanDerWaalsContact O-CB 3.25Å; A247-A250 WeakPolarHBondContact O-CB 3.36Å; A247-A250 PolarHBondContact O-N 3.38Å; A247-L377 HydrophobicContact CB-CB 3.74Å; A247-L377 WeakPolarHBondContact O-CD1 3.48Å
248L89.1Confident85.8Confident0 Ų053.8 Ų53.80%029%0.293CS..G310 helixtrans-59.1-20.3173-73.6171.3000113.3L242 N245 E246 A250 L251 F371 L377L242-L248 HydrophobicContact CD1-CB 4.08Å; L242-L248 HydrophobicContact CD1-CD1 4.34Å; L242-L248 HydrophobicContact CG-CB 4.04Å; N245-L248 HydrophobicContact CB-CD1 4.12Å; N245-L248 HydrophobicContact CB-CG 4.29Å; N245-L248 VanDerWaalsContact O-CB 3.3Å; N245-L248 WeakPolarHBondContact O-CB 3.21Å; N245-L248 WeakPolarHBondContact O-CG 3.06Å; N245-L248 PolarHBondContact O-N 3.16Å; N245-L248 VanDerWaalsContact O-N 3.07Å; E246-L248 PolarHBondContact O-N 3.02Å; L248-A250 PolarHBondContact O-N 2.93Å; L248-L251 HydrophobicContact CD2-CD1 3.59Å; L248-L251 VanDerWaalsContact O-CB 3.23Å; L248-L251 WeakPolarHBondContact O-CB 3.29Å; L248-L251 WeakPolarHBondContact O-CG 3.23Å; L248-L251 PolarHBondContact O-N 2.82Å; L248-F371 HydrophobicContact CD1-CZ 4.29Å; L248-F371 HydrophobicContact CD2-CE2 3.64Å; L248-F371 HydrophobicContact CD2-CZ 3.52Å; L248-F371 HydrophobicContact CG-CZ 4.01Å; L248-L377 HydrophobicContact CD2-CD1 4.11Å
249I87.9Confident85.4Confident4 Ų458 Ų582%0.02131%0.308CS..G310 helixtrans-60.1-26.3174.9-60.5167.8000111.4L242 E246 A247 L251 L252 L258 P380 I385 W387 L390L242-I249 HydrophobicContact CD2-CG1 4.01Å; E246-I249 HydrophobicContact CB-CD1 4.41Å; E246-I249 WeakPolarHBondContact O-CB 3.38Å; E246-I249 WeakPolarHBondContact O-CD1 3.43Å; E246-I249 WeakPolarHBondContact O-CG1 3.37Å; E246-I249 PolarHBondContact O-N 2.93Å; E246-I249 VanDerWaalsContact O-N 3.1Å; A247-I249 PolarHBondContact O-N 2.88Å; A247-I249 VanDerWaalsContact O-N 3.12Å; I249-L251 PolarHBondContact O-N 2.85Å; I249-L252 VanDerWaalsContact O-CB 3.26Å; I249-L252 WeakPolarHBondContact O-CB 3.36Å; I249-L252 PolarHBondContact O-N 3.28Å; I249-L258 HydrophobicContact CD1-CD1 4.47Å; I249-L258 HydrophobicContact CG1-CD1 4.03Å; I249-P380 HydrophobicContact CB-CG 4.38Å; I249-P380 HydrophobicContact CG2-CG 3.95Å; I249-I385 HydrophobicContact CG2-CD1 3.81Å; I249-W387 HydrophobicContact CD1-CE3 4.36Å; I249-W387 HydrophobicContact CD1-CH2 3.56Å; I249-W387 HydrophobicContact CD1-CZ3 3.32Å; I249-L390 HydrophobicContact CD1-CD1 4.02Å; I249-L390 HydrophobicContact CD1-CD2 4.41Å
250A88.9Confident85.4Confident23 Ų2357.5 Ų57.519%0.1931%0.305CS..G310 helixtrans-59.4-17.817300000113.5A247 L248 L252 L377A247-A250 VanDerWaalsContact O-CB 3.25Å; A247-A250 WeakPolarHBondContact O-CB 3.36Å; A247-A250 PolarHBondContact O-N 3.38Å; L248-A250 PolarHBondContact O-N 2.93Å; A250-L252 VanDerWaalsContact C-N 3.31Å; A250-L377 HydrophobicContact CB-CB 4.44Å; A250-L377 HydrophobicContact CB-CD2 4.3Å
251L91.1Very high85.2Confident5 Ų557.5 Ų57.53%0.02631%0.305CS..G310 helixtrans-82.2-7.7177.8-55.9-179.5000113.3L248 I249 R253 R272 W273 Y276 L377L248-L251 HydrophobicContact CD2-CD1 3.59Å; L248-L251 VanDerWaalsContact O-CB 3.23Å; L248-L251 WeakPolarHBondContact O-CB 3.29Å; L248-L251 WeakPolarHBondContact O-CG 3.23Å; L248-L251 PolarHBondContact O-N 2.82Å; I249-L251 PolarHBondContact O-N 2.85Å; L251-R253 PolarHBondContact O-N 3.32Å; L251-R272 HydrophobicContact CB-CG 4.25Å; L251-R272 PolarHBondContact O-NE 2.84Å; L251-R272 PolarHBondContact O-NH2 2.97Å; L251-W273 HydrophobicContact CD1-CB 3.91Å; L251-W273 HydrophobicContact CD2-CB 4.38Å; L251-Y276 HydrophobicContact CD2-CD1 4.28Å; L251-Y276 HydrophobicContact CD2-CD2 4.17Å; L251-Y276 HydrophobicContact CD2-CG 3.78Å; L251-L377 HydrophobicContact CD1-CD1 4.35Å; L251-L377 HydrophobicContact CD2-CD1 4.14Å; L251-L377 HydrophobicContact CD2-CD2 4Å; L251-L377 HydrophobicContact CG-CD1 4.06Å
252L89.1Confident85.2Confident65 Ų6557.5 Ų57.534%0.3431%0.306SS..PPolyproline II helixtrans-58.2133.6179.3-164.373.2000110.6I249 A250 E256 S257 L261I249-L252 VanDerWaalsContact O-CB 3.26Å; I249-L252 WeakPolarHBondContact O-CB 3.36Å; I249-L252 PolarHBondContact O-N 3.28Å; A250-L252 VanDerWaalsContact C-N 3.31Å; L252-E256 HydrophobicContact CD1-CB 4.07Å; L252-E256 HydrophobicContact CD1-CG 4.01Å; L252-E256 HydrophobicContact CG-CB 4.48Å; L252-S257 WeakPolarHBondContact CD1-O 3.44Å; L252-L261 HydrophobicContact CB-CD2 4.29Å; L252-L261 HydrophobicContact CD1-CB 3.97Å; L252-L261 HydrophobicContact CD1-CD2 4.08Å
253R88.1Confident85.2Confident130 Ų13061.1 Ų61.149%0.49132%0.321SS..PPolyproline II helixtrans-95.8158.9179.5-83.2163.2-167.9174.92.7110.2L251 G255 E256 R272L251-R253 PolarHBondContact O-N 3.32Å; R253-G255 PolarHBondContact O-N 3.31Å; R253-E256 PolarHBondContact N-OE2 2.69Å; R253-E256 WeakPolarHBondContact O-CB 3.32Å; R253-E256 PolarHBondContact O-N 3.49Å; R253-E256 VanDerWaalsContact O-N 3.11Å; R253-R272 VanDerWaalsContact CB-NH2 3.27Å
254E83.3Confident85.7Confident204 Ų20460.4 Ų60.495%0.95331%0.313SS*.THydrogen-bonded Turntrans-55127.1173.4-67.1-171.6167.400111.2E256E254-E256 VanDerWaalsContact C-N 3.35Å
255G83.6Confident86Confident91 Ų9154.6 Ų54.694%0.93829%0.294SS*.THydrogen-bonded Turntrans83.12.1179.300000115.7R253R253-G255 PolarHBondContact O-N 3.31Å
256E87.3Confident86.3Confident45 Ų4553.9 Ų53.921%0.2129%0.291CS..  trans-96.8144.2176.3-170.3-177.5-145.800111.5L252 R253 E254 D260 R272L252-E256 HydrophobicContact CD1-CB 4.07Å; L252-E256 HydrophobicContact CD1-CG 4.01Å; L252-E256 HydrophobicContact CG-CB 4.48Å; R253-E256 PolarHBondContact N-OE2 2.69Å; R253-E256 WeakPolarHBondContact O-CB 3.32Å; R253-E256 PolarHBondContact O-N 3.49Å; R253-E256 VanDerWaalsContact O-N 3.11Å; E254-E256 VanDerWaalsContact C-N 3.35Å; E256-D260 HydrophobicContact CG-CB 3.45Å; E256-D260 VanDerWaalsContact CG-CB 3.45Å; E256-R272 VanDerWaalsContact CD-NH1 3.27Å; E256-R272 IonicContact OE1-CZ 2.94Å; E256-R272 IonicContact OE1-NH1 2.81Å; E256-R272 PolarHBondContact OE1-NH1 3.38Å; E256-R272 IonicContact OE1-NH2 3.72Å; E256-R272 IonicContact OE2-CZ 3.27Å; E256-R272 IonicContact OE2-NH1 3.73Å; E256-R272 PolarHBondContact OE2-NH1 2.95Å; E256-R272 IonicContact OE2-NH2 3.38Å; E256-R272 PolarHBondContact OE2-NH2 3.3Å
257S85.6Confident86.6Confident50 Ų5052.4 Ų52.435%0.3528%0.284SS..  trans-89.1160.7173.272.40000112L252 E259 D260 L261L252-S257 WeakPolarHBondContact CD1-O 3.44Å; S257-E259 PolarHBondContact O-N 3.32Å; S257-D260 WeakPolarHBondContact CB-OD2 3.5Å; S257-D260 PolarHBondContact N-OD2 3.41Å; S257-D260 WeakPolarHBondContact O-CB 3.13Å; S257-D260 PolarHBondContact O-N 3.12Å; S257-D260 VanDerWaalsContact O-N 3.13Å; S257-D260 PolarHBondContact OG-N 3.29Å; S257-D260 PolarHBondContact OG-OD2 3.1Å; S257-L261 PolarHBondContact O-N 3.23Å
258L82.4Confident86.9Confident26 Ų2656.3 Ų56.314%0.13630%0.3CS..Hα-helixtrans-56.4-37.4173.2-173.766.8000111.8L242 I249 D260 L261 M262 A389 L390L242-L258 HydrophobicContact CD2-CD1 3.44Å; L242-L258 VanDerWaalsContact CD2-CD1 3.44Å; L242-L258 HydrophobicContact CD2-CG 4.41Å; I249-L258 HydrophobicContact CD1-CD1 4.47Å; I249-L258 HydrophobicContact CG1-CD1 4.03Å; L258-D260 VanDerWaalsContact C-N 3.31Å; L258-D260 PolarHBondContact O-N 3.25Å; L258-L261 PolarHBondContact O-N 2.66Å; L258-M262 HydrophobicContact CG-SD 4.28Å; L258-M262 WeakPolarHBondContact O-CG 3.42Å; L258-M262 PolarHBondContact O-N 3.19Å; L258-A389 HydrophobicContact CD2-CB 4.23Å; L258-L390 HydrophobicContact CD1-CD2 4.23Å; L258-L390 HydrophobicContact CD2-CD2 3.8Å; L258-L390 HydrophobicContact CD2-CG 3.96Å; L258-L390 HydrophobicContact CG-CD2 4.38Å
259E80.7Confident87.1Confident119 Ų11956.5 Ų56.556%0.55630%0.301SS*.Hα-helixtrans-64.4-35.2179.3-158.4-164.713600112.2S257 M262 K263S257-E259 PolarHBondContact O-N 3.32Å; E259-M262 PolarHBondContact O-N 3.14Å; E259-K263 WeakPolarHBondContact O-CD 3.33Å; E259-K263 VanDerWaalsContact O-CG 3.25Å; E259-K263 WeakPolarHBondContact O-CG 3.35Å; E259-K263 PolarHBondContact O-N 3.34Å; E259-K263 VanDerWaalsContact O-N 3.15Å; E259-K263 WeakPolarHBondContact OE1-CE 3Å; E259-K263 IonicContact OE1-NZ 3.77Å; E259-K263 PolarHBondContact OE1-NZ 2.84Å
260D84.6Confident87.5Confident65 Ų6556.3 Ų56.335%0.34830%0.3SS..Hα-helixtrans-67.8-39.2176-61.1-47.1000111.4E256 S257 L258 K263E256-D260 HydrophobicContact CG-CB 3.45Å; E256-D260 VanDerWaalsContact CG-CB 3.45Å; S257-D260 WeakPolarHBondContact CB-OD2 3.5Å; S257-D260 PolarHBondContact N-OD2 3.41Å; S257-D260 WeakPolarHBondContact O-CB 3.13Å; S257-D260 PolarHBondContact O-N 3.12Å; S257-D260 VanDerWaalsContact O-N 3.13Å; S257-D260 PolarHBondContact OG-N 3.29Å; S257-D260 PolarHBondContact OG-OD2 3.1Å; L258-D260 VanDerWaalsContact C-N 3.31Å; L258-D260 PolarHBondContact O-N 3.25Å; D260-K263 PolarHBondContact O-N 3.19Å; D260-K263 IonicContact OD1-NZ 2.71Å
261L86.6Confident87.8Confident0 Ų057.2 Ų57.20%030%0.301CS..Hα-helixtrans-67.9-38.9175.6-173.262.4000111.5L242 L252 S257 L258 K263 L264 L269L242-L261 HydrophobicContact CD1-CD2 4.31Å; L242-L261 HydrophobicContact CD1-CG 4.02Å; L242-L261 HydrophobicContact CD2-CD2 3.86Å; L242-L261 HydrophobicContact CD2-CG 4.12Å; L252-L261 HydrophobicContact CB-CD2 4.29Å; L252-L261 HydrophobicContact CD1-CB 3.97Å; L252-L261 HydrophobicContact CD1-CD2 4.08Å; S257-L261 PolarHBondContact O-N 3.23Å; L258-L261 PolarHBondContact O-N 2.66Å; L261-K263 PolarHBondContact O-N 2.88Å; L261-L264 HydrophobicContact CD1-CD1 3.93Å; L261-L264 WeakPolarHBondContact O-CB 3.39Å; L261-L264 PolarHBondContact O-N 3.14Å; L261-L269 HydrophobicContact CD1-CD2 3.7Å; L261-L269 HydrophobicContact CG-CD2 4.26Å
262M83.3Confident88Confident52 Ų5257.7 Ų57.726%0.25630%0.303SS..Hα-helixtrans-64.2-26.1175.1-72.5176.572.700113L242 L258 E259 L264 H415L242-M262 HydrophobicContact CB-CG 4.45Å; L242-M262 HydrophobicContact CD2-CG 4.07Å; L258-M262 HydrophobicContact CG-SD 4.28Å; L258-M262 WeakPolarHBondContact O-CG 3.42Å; L258-M262 PolarHBondContact O-N 3.19Å; E259-M262 PolarHBondContact O-N 3.14Å; M262-L264 PolarHBondContact O-N 3.05Å; M262-H415 PolarHBondContact O-CD2 2.91Å; M262-H415 PolarHBondContact O-CE1 2.93Å; M262-H415 PolarHBondContact O-ND1 3.36Å; M262-H415 PolarHBondContact O-NE2 3.4Å
263K83.8Confident88.4Confident82 Ų8254.6 Ų54.636%0.35729%0.287SS..THydrogen-bonded Turntrans-74.1-13.7177.8-73.3163.4-172.3158.40113.6E259 D260 L261E259-K263 WeakPolarHBondContact O-CD 3.33Å; E259-K263 VanDerWaalsContact O-CG 3.25Å; E259-K263 WeakPolarHBondContact O-CG 3.35Å; E259-K263 PolarHBondContact O-N 3.34Å; E259-K263 VanDerWaalsContact O-N 3.15Å; E259-K263 WeakPolarHBondContact OE1-CE 3Å; E259-K263 IonicContact OE1-NZ 3.77Å; E259-K263 PolarHBondContact OE1-NZ 2.84Å; D260-K263 PolarHBondContact O-N 3.19Å; D260-K263 IonicContact OD1-NZ 2.71Å; L261-K263 PolarHBondContact O-N 2.88Å
264L88Confident88.8Confident34 Ų3448.4 Ų48.418%0.17826%0.263CS..SBendtrans-69.6140.5-179.8-63.4-171.7000111.2L261 M262 E268 L269 H415L261-L264 HydrophobicContact CD1-CD1 3.93Å; L261-L264 WeakPolarHBondContact O-CB 3.39Å; L261-L264 PolarHBondContact O-N 3.14Å; M262-L264 PolarHBondContact O-N 3.05Å; L264-E268 HydrophobicContact CB-CB 4.04Å; L264-E268 HydrophobicContact CD1-CB 4.43Å; L264-E268 HydrophobicContact CD2-CB 4.22Å; L264-E268 HydrophobicContact CG-CB 4.47Å; L264-L269 HydrophobicContact CB-CD2 4.07Å; L264-L269 HydrophobicContact CB-CG 3.86Å; L264-L269 HydrophobicContact CD1-CD2 4.07Å; L264-H415 PolarHBondContact O-NE2 3.07Å
265S88.4Confident89.5Confident17 Ų1739.1 Ų39.112%0.11922%0.22CC..  trans-66.4156.9167.559.90000110.9E267 E268 L269S265-E267 PolarHBondContact O-N 2.95Å; S265-E268 WeakPolarHBondContact CB-OE2 3.49Å; S265-E268 PolarHBondContact N-OE2 3.2Å; S265-E268 PolarHBondContact O-N 2.89Å; S265-E268 VanDerWaalsContact OG-CG 3.26Å; S265-E268 WeakPolarHBondContact OG-CG 3.17Å; S265-E268 PolarHBondContact OG-N 3.08Å; S265-E268 PolarHBondContact OG-OE2 2.87Å; S265-L269 PolarHBondContact O-N 2.92Å
266P90.9Very high90.1Very high18 Ų1838.6 Ų38.612%0.11719%0.19CC..Hα-helixtrans-53.5-36.2174.2-29.136.9000113.4F237 I240 L269 L270F237-P266 HydrophobicContact CB-CB 3.85Å; F237-P266 HydrophobicContact CB-CG 4.12Å; F237-P266 HydrophobicContact CD1-CB 4.46Å; F237-P266 HydrophobicContact CD2-CB 3.43Å; F237-P266 VanDerWaalsContact CD2-CB 3.43Å; F237-P266 HydrophobicContact CD2-CG 3.97Å; F237-P266 HydrophobicContact CE2-CB 3.98Å; F237-P266 HydrophobicContact CG-CB 3.69Å; F237-P266 HydrophobicContact CG-CG 4.35Å; I240-P266 HydrophobicContact CB-CB 4.26Å; I240-P266 HydrophobicContact CG2-CB 4.24Å; P266-L269 PolarHBondContact O-N 3.26Å; P266-L270 WeakPolarHBondContact O-CB 3.34Å; P266-L270 WeakPolarHBondContact O-CG 3.35Å; P266-L270 PolarHBondContact O-N 3.11Å
267E90.5Very high90.5Very high55 Ų5536.7 Ų36.726%0.25718%0.182SC..Hα-helixtrans-64.3-41.7175.8-64.394.2151.400112.9K233 F237 S265 L270 L271 L364K233-E267 WeakPolarHBondContact CE-OE1 3.33Å; K233-E267 IonicContact NZ-OE1 2.67Å; K233-E267 PolarHBondContact NZ-OE1 3.38Å; F237-E267 VanDerWaalsContact CE2-CD 3.49Å; F237-E267 HydrophobicContact CE2-CG 3.78Å; F237-E267 HydrophobicContact CZ-CG 4.01Å; S265-E267 PolarHBondContact O-N 2.95Å; E267-L270 PolarHBondContact O-N 3.37Å; E267-L271 WeakPolarHBondContact O-CB 3.33Å; E267-L271 PolarHBondContact O-N 2.83Å; E267-L364 HydrophobicContact CG-CD1 4.19Å; E267-L364 HydrophobicContact CG-CD2 3.79Å
268E91.9Very high91.1Very high98 Ų9834.4 Ų34.446%0.45817%0.165SC..Hα-helixtrans-69-39.3177.2-72.2163.6142.100111.2L264 S265 L271 R272L264-E268 HydrophobicContact CB-CB 4.04Å; L264-E268 HydrophobicContact CD1-CB 4.43Å; L264-E268 HydrophobicContact CD2-CB 4.22Å; L264-E268 HydrophobicContact CG-CB 4.47Å; S265-E268 WeakPolarHBondContact CB-OE2 3.49Å; S265-E268 PolarHBondContact N-OE2 3.2Å; S265-E268 PolarHBondContact O-N 2.89Å; S265-E268 VanDerWaalsContact OG-CG 3.26Å; S265-E268 WeakPolarHBondContact OG-CG 3.17Å; S265-E268 PolarHBondContact OG-N 3.08Å; S265-E268 PolarHBondContact OG-OE2 2.87Å; E268-L271 PolarHBondContact O-N 3.27Å; E268-R272 VanDerWaalsContact O-CB 3.23Å; E268-R272 WeakPolarHBondContact O-CB 3.28Å; E268-R272 PolarHBondContact O-N 3.04Å
269L93.9Very high91.7Very high4 Ų437 Ų372%0.02118%0.177CC..Hα-helixtrans-62.3-44173.3-74.7171.7000111.6I240 L242 L261 L264 S265 P266 R272 W273I240-L269 HydrophobicContact CG2-CB 4.07Å; L242-L269 HydrophobicContact CD1-CD1 4.28Å; L242-L269 HydrophobicContact CD1-CD2 4.24Å; L261-L269 HydrophobicContact CD1-CD2 3.7Å; L261-L269 HydrophobicContact CG-CD2 4.26Å; L264-L269 HydrophobicContact CB-CD2 4.07Å; L264-L269 HydrophobicContact CB-CG 3.86Å; L264-L269 HydrophobicContact CD1-CD2 4.07Å; S265-L269 PolarHBondContact O-N 2.92Å; P266-L269 PolarHBondContact O-N 3.26Å; L269-R272 WeakPolarHBondContact O-CB 3.32Å; L269-R272 PolarHBondContact O-N 3.44Å; L269-W273 WeakPolarHBondContact O-CB 3.43Å; L269-W273 PolarHBondContact O-N 3.42Å
270L95.3Very high92.3Very high0 Ų035.6 Ų35.60%017%0.173CC..Hα-helixtrans-62.5-44175-80.5177.6000112.5F237 I240 P266 E267 R272 W273 A274 F289 L364 I367 A368 F371F237-L270 HydrophobicContact CD1-CD1 4.47Å; F237-L270 HydrophobicContact CE1-CD1 3.83Å; F237-L270 HydrophobicContact CZ-CD1 4.31Å; I240-L270 HydrophobicContact CD1-CD1 3.66Å; I240-L270 HydrophobicContact CD1-CD2 3.73Å; I240-L270 HydrophobicContact CD1-CG 3.73Å; I240-L270 HydrophobicContact CG2-CD2 4.31Å; I240-L270 HydrophobicContact CG2-CG 4.07Å; P266-L270 WeakPolarHBondContact O-CB 3.34Å; P266-L270 WeakPolarHBondContact O-CG 3.35Å; P266-L270 PolarHBondContact O-N 3.11Å; E267-L270 PolarHBondContact O-N 3.37Å; L270-R272 PolarHBondContact O-N 3.42Å; L270-W273 HydrophobicContact CD2-CE3 4.32Å; L270-W273 PolarHBondContact O-N 3.18Å; L270-A274 WeakPolarHBondContact O-CB 3.44Å; L270-A274 PolarHBondContact O-N 3.41Å; L270-F289 HydrophobicContact CB-CE2 4.19Å; L270-F289 HydrophobicContact CB-CZ 4.31Å; L270-L364 HydrophobicContact CD1-CD1 3.85Å; L270-I367 HydrophobicContact CB-CG2 4.27Å; L270-I367 HydrophobicContact CD1-CG2 4.33Å; L270-I367 HydrophobicContact CD2-CG2 4.08Å; L270-I367 HydrophobicContact CG-CG2 4.46Å; L270-A368 HydrophobicContact CD1-CB 3.75Å; L270-F371 HydrophobicContact CD2-CB 3.59Å; L270-F371 HydrophobicContact CD2-CD1 4.35Å; L270-F371 HydrophobicContact CD2-CD2 4.27Å; L270-F371 HydrophobicContact CD2-CG 3.81Å
271L95.6Very high92.8Very high42 Ų4234 Ų3422%0.2217%0.169CC..Hα-helixtrans-62.5-38.3176.6-175.563.7000111.1E267 E268 N275 I286 G287 F289E267-L271 WeakPolarHBondContact O-CB 3.33Å; E267-L271 PolarHBondContact O-N 2.83Å; E268-L271 PolarHBondContact O-N 3.27Å; L271-N275 WeakPolarHBondContact O-CB 3.12Å; L271-N275 PolarHBondContact O-N 2.9Å; L271-N275 PolarHBondContact O-ND2 3.43Å; L271-I286 HydrophobicContact CD1-CD1 4.1Å; L271-I286 HydrophobicContact CD1-CG1 3.85Å; L271-G287 WeakPolarHBondContact CD2-O 3.41Å; L271-F289 HydrophobicContact CB-CE2 4.08Å; L271-F289 HydrophobicContact CB-CZ 4.19Å; L271-F289 HydrophobicContact CD1-CE1 4.36Å; L271-F289 HydrophobicContact CD1-CE2 4.21Å; L271-F289 HydrophobicContact CD1-CZ 4.02Å
272R95.9Very high93.2Very high15 Ų1537.3 Ų37.36%0.05720%0.204CC..Hα-helixtrans-68.1-42.2176.9-171172.6-174.2151.53.3112.1L251 R253 E256 E268 L269 L270 N275 Y276L251-R272 HydrophobicContact CB-CG 4.25Å; L251-R272 PolarHBondContact O-NE 2.84Å; L251-R272 PolarHBondContact O-NH2 2.97Å; R253-R272 VanDerWaalsContact CB-NH2 3.27Å; E256-R272 VanDerWaalsContact CD-NH1 3.27Å; E256-R272 IonicContact OE1-CZ 2.94Å; E256-R272 IonicContact OE1-NH1 2.81Å; E256-R272 PolarHBondContact OE1-NH1 3.38Å; E256-R272 IonicContact OE1-NH2 3.72Å; E256-R272 IonicContact OE2-CZ 3.27Å; E256-R272 IonicContact OE2-NH1 3.73Å; E256-R272 PolarHBondContact OE2-NH1 2.95Å; E256-R272 IonicContact OE2-NH2 3.38Å; E256-R272 PolarHBondContact OE2-NH2 3.3Å; E268-R272 VanDerWaalsContact O-CB 3.23Å; E268-R272 WeakPolarHBondContact O-CB 3.28Å; E268-R272 PolarHBondContact O-N 3.04Å; L269-R272 WeakPolarHBondContact O-CB 3.32Å; L269-R272 PolarHBondContact O-N 3.44Å; L270-R272 PolarHBondContact O-N 3.42Å; R272-N275 PolarHBondContact O-N 3.13Å; R272-Y276 WeakPolarHBondContact O-CB 3.43Å; R272-Y276 PolarHBondContact O-N 3.13Å
273W96.8Very high93.7Very high0 Ų036.5 Ų36.50%020%0.202CC..Hα-helixtrans-61.5-48.6173.816879.1000112.4L251 L269 L270 N275 Y276 H277 L302 V306 I367 L370 F371 P375L251-W273 HydrophobicContact CD1-CB 3.91Å; L251-W273 HydrophobicContact CD2-CB 4.38Å; L269-W273 WeakPolarHBondContact O-CB 3.43Å; L269-W273 PolarHBondContact O-N 3.42Å; L270-W273 HydrophobicContact CD2-CE3 4.32Å; L270-W273 PolarHBondContact O-N 3.18Å; W273-N275 VanDerWaalsContact C-N 3.29Å; W273-N275 PolarHBondContact O-N 3.3Å; W273-Y276 WeakPolarHBondContact O-CB 3.34Å; W273-Y276 PolarHBondContact O-N 3.38Å; W273-H277 AromaticContact CD1-CD2 3.79Å; W273-H277 AromaticContact CD1-NE2 3.81Å; W273-H277 AromaticContact CE2-CD2 3.56Å; W273-H277 AromaticContact CE2-NE2 3.86Å; W273-H277 AromaticContact NE1-CD2 3.31Å; W273-H277 PolarHBondContact NE1-CD2 3.15Å; W273-H277 VanDerWaalsContact NE1-CD2 3.31Å; W273-H277 AromaticContact NE1-NE2 3.21Å; W273-H277 PolarHBondContact NE1-NE2 3.45Å; W273-H277 PolarHBondContact O-N 2.86Å; W273-L302 HydrophobicContact CH2-CD1 4.11Å; W273-L302 HydrophobicContact CH2-CD2 4.21Å; W273-L302 HydrophobicContact CH2-CG 4.35Å; W273-L302 HydrophobicContact CZ3-CD1 4.21Å; W273-L302 HydrophobicContact CZ3-CD2 3.93Å; W273-L302 HydrophobicContact CZ3-CG 4.48Å; W273-V306 HydrophobicContact CH2-CG1 4.11Å; W273-V306 HydrophobicContact CZ2-CG1 3.6Å; W273-I367 HydrophobicContact CE3-CG2 4.35Å; W273-I367 HydrophobicContact CZ3-CG2 4Å; W273-L370 HydrophobicContact CH2-CB 4.4Å; W273-L370 HydrophobicContact CH2-CD2 4.06Å; W273-L370 HydrophobicContact CH2-CG 4.04Å; W273-F371 HydrophobicContact CB-CD2 4.45Å; W273-F371 AromaticContact CD1-CD2 3.66Å; W273-F371 AromaticContact CD1-CE2 3.81Å; W273-F371 HydrophobicContact CD2-CB 4.4Å; W273-F371 AromaticContact CD2-CD2 3.65Å; W273-F371 HydrophobicContact CD2-CD2 3.65Å; W273-F371 HydrophobicContact CD2-CE2 4.5Å; W273-F371 HydrophobicContact CD2-CG 4.49Å; W273-F371 AromaticContact CE2-CD2 3.61Å; W273-F371 HydrophobicContact CE3-CB 4.31Å; W273-F371 HydrophobicContact CE3-CD2 4.32Å; W273-F371 AromaticContact CG-CD2 3.68Å; W273-F371 HydrophobicContact CG-CD2 3.68Å; W273-F371 HydrophobicContact CG-CE2 4.08Å; W273-F371 HydrophobicContact CH2-CB 4.14Å; W273-F371 HydrophobicContact CZ2-CB 4.21Å; W273-F371 HydrophobicContact CZ2-CD2 4.22Å; W273-F371 HydrophobicContact CZ3-CB 4.2Å; W273-F371 AromaticContact NE1-CD2 3.57Å; W273-P375 PolarHBondContact NE1-O 3.15Å
274A97.4Very high94.2Very high0 Ų039.7 Ų39.70%022%0.223CC..Hα-helixtrans-59.8-43.5177.800000110.7L270 H277 L278 I286 F289 L302L270-A274 WeakPolarHBondContact O-CB 3.44Å; L270-A274 PolarHBondContact O-N 3.41Å; A274-H277 PolarHBondContact O-N 3.17Å; A274-L278 WeakPolarHBondContact O-CB 3.14Å; A274-L278 VanDerWaalsContact O-CG 3.24Å; A274-L278 WeakPolarHBondContact O-CG 3.2Å; A274-L278 PolarHBondContact O-N 3.1Å; A274-I286 HydrophobicContact CB-CD1 4.33Å; A274-F289 HydrophobicContact CB-CE1 3.94Å; A274-F289 HydrophobicContact CB-CZ 4.1Å; A274-L302 HydrophobicContact CB-CD2 4.29Å
275N97.1Very high94.5Very high9 Ų943.6 Ų43.65%0.04824%0.239CC..Hα-helixtrans-67-36.5177.2-78.8-43.7000113.7L271 R272 W273 H277 L278 E279 K285 I286L271-N275 WeakPolarHBondContact O-CB 3.12Å; L271-N275 PolarHBondContact O-N 2.9Å; L271-N275 PolarHBondContact O-ND2 3.43Å; R272-N275 PolarHBondContact O-N 3.13Å; W273-N275 VanDerWaalsContact C-N 3.29Å; W273-N275 PolarHBondContact O-N 3.3Å; N275-H277 VanDerWaalsContact C-N 3.3Å; N275-H277 PolarHBondContact O-N 3.01Å; N275-L278 PolarHBondContact O-N 2.83Å; N275-E279 VanDerWaalsContact O-CB 3.32Å; N275-E279 WeakPolarHBondContact O-CB 3.11Å; N275-E279 WeakPolarHBondContact O-CG 3.41Å; N275-E279 PolarHBondContact O-N 3.05Å; N275-K285 WeakPolarHBondContact OD1-CA 3.16Å; N275-K285 WeakPolarHBondContact OD1-CB 3.21Å; N275-I286 PolarHBondContact ND2-O 3.34Å; N275-I286 WeakPolarHBondContact OD1-CG1 3.45Å; N275-I286 PolarHBondContact OD1-N 3.31Å; N275-I286 PolarHBondContact OD1-O 3.44Å
276Y96.1Very high94.8Very high79 Ų7943.6 Ų43.631%0.3124%0.237SC..Hα-helixtrans-55-48.3173.5171.2-92.2000111.1L251 R272 W273 N280 L377L251-Y276 HydrophobicContact CD2-CD1 4.28Å; L251-Y276 HydrophobicContact CD2-CD2 4.17Å; L251-Y276 HydrophobicContact CD2-CG 3.78Å; R272-Y276 WeakPolarHBondContact O-CB 3.43Å; R272-Y276 PolarHBondContact O-N 3.13Å; W273-Y276 WeakPolarHBondContact O-CB 3.34Å; W273-Y276 PolarHBondContact O-N 3.38Å; Y276-N280 VanDerWaalsContact CE1-ND2 3.28Å; Y276-N280 WeakPolarHBondContact CE1-ND2 3.45Å; Y276-N280 VanDerWaalsContact O-CG 3.27Å; Y276-N280 PolarHBondContact O-N 2.72Å; Y276-N280 VanDerWaalsContact O-N 3.14Å; Y276-N280 PolarHBondContact O-ND2 3.35Å; Y276-L377 HydrophobicContact CD1-CD2 3.71Å; Y276-L377 HydrophobicContact CE1-CD2 3.56Å
277H96.5Very high94.9Very high6 Ų645.3 Ų45.33%0.02826%0.258CS..Hα-helixtrans-70.5-40.6178.2-74.7-53.8000113.2W273 A274 N275 E279 N280 A281 L302 Q305 P375 A376W273-H277 AromaticContact CD1-CD2 3.79Å; W273-H277 AromaticContact CD1-NE2 3.81Å; W273-H277 AromaticContact CE2-CD2 3.56Å; W273-H277 AromaticContact CE2-NE2 3.86Å; W273-H277 AromaticContact NE1-CD2 3.31Å; W273-H277 PolarHBondContact NE1-CD2 3.15Å; W273-H277 VanDerWaalsContact NE1-CD2 3.31Å; W273-H277 AromaticContact NE1-NE2 3.21Å; W273-H277 PolarHBondContact NE1-NE2 3.45Å; W273-H277 PolarHBondContact O-N 2.86Å; A274-H277 PolarHBondContact O-N 3.17Å; N275-H277 VanDerWaalsContact C-N 3.3Å; N275-H277 PolarHBondContact O-N 3.01Å; H277-E279 VanDerWaalsContact C-N 3.32Å; H277-E279 PolarHBondContact O-N 2.67Å; H277-N280 PolarHBondContact O-N 3.15Å; H277-A281 PolarHBondContact O-N 2.89Å; H277-L302 HydrophobicContact CB-CD1 3.6Å; H277-Q305 HydrophobicContact CB-CB 3.98Å; H277-Q305 HydrophobicContact CB-CG 4.35Å; H277-P375 PolarHBondContact NE2-O 3.33Å; H277-P375 VanDerWaalsContact NE2-O 3.09Å; H277-A376 PolarHBondContact CE1-O 3.46Å; H277-A376 VanDerWaalsContact CE1-O 3.22Å
278L96.9Very high94.9Very high2 Ų244.9 Ų44.91%0.0126%0.258CS..Hα-helixtrans-61.5-41.1175.7-71.6171.6000112A274 N275 A281 G282 C283 I286 A298 H301A274-L278 WeakPolarHBondContact O-CB 3.14Å; A274-L278 VanDerWaalsContact O-CG 3.24Å; A274-L278 WeakPolarHBondContact O-CG 3.2Å; A274-L278 PolarHBondContact O-N 3.1Å; N275-L278 PolarHBondContact O-N 2.83Å; L278-A281 CarbonylContact O-C 3.52Å; L278-A281 WeakPolarHBondContact O-CB 3.48Å; L278-A281 PolarHBondContact O-N 2.81Å; L278-G282 PolarHBondContact O-N 3.3Å; L278-C283 HydrophobicContact CB-CB 4.15Å; L278-C283 HydrophobicContact CD2-CB 4.13Å; L278-C283 WeakPolarHBondContact O-CA 3.32Å; L278-C283 VanDerWaalsContact O-CB 3.31Å; L278-C283 WeakPolarHBondContact O-CB 3.34Å; L278-C283 PolarHBondContact O-N 3.39Å; L278-I286 HydrophobicContact CD1-CD1 4.22Å; L278-I286 HydrophobicContact CD1-CG1 3.96Å; L278-I286 HydrophobicContact CD1-CG2 4Å; L278-A298 HydrophobicContact CD1-CB 4.28Å; L278-A298 HydrophobicContact CD2-CB 4.17Å; L278-A298 WeakPolarHBondContact CD2-O 3.41Å; L278-H301 HydrophobicContact CD2-CB 4.03Å
279E95.7Very high94.8Very high79 Ų7941.1 Ų41.137%0.36924%0.24SC..Hα-helixtrans-62.8-43.3175.8-74.3169.1-13000111.4N275 H277 A281 G282 K285N275-E279 VanDerWaalsContact O-CB 3.32Å; N275-E279 WeakPolarHBondContact O-CB 3.11Å; N275-E279 WeakPolarHBondContact O-CG 3.41Å; N275-E279 PolarHBondContact O-N 3.05Å; H277-E279 VanDerWaalsContact C-N 3.32Å; H277-E279 PolarHBondContact O-N 2.67Å; E279-A281 PolarHBondContact O-N 3.3Å; E279-G282 WeakPolarHBondContact O-CA 3.22Å; E279-G282 PolarHBondContact O-N 3.4Å; E279-K285 HydrophobicContact CG-CD 4.42Å; E279-K285 HydrophobicContact CG-CG 3.98Å; E279-K285 WeakPolarHBondContact OE1-CD 3.35Å; E279-K285 WeakPolarHBondContact OE1-CE 3.41Å; E279-K285 WeakPolarHBondContact OE1-CG 3.29Å; E279-K285 IonicContact OE1-NZ 2.68Å; E279-K285 PolarHBondContact OE1-NZ 2.94Å; E279-K285 WeakPolarHBondContact OE2-CE 3.44Å; E279-K285 IonicContact OE2-NZ 3.63Å; E279-K285 PolarHBondContact OE2-NZ 2.63Å
280N93.9Very high94.6Very high90 Ų9042.5 Ų42.548%0.48125%0.249SC..Hα-helixtrans-63-29.8174.7-69.8-17.9000112.7Y276 H277 G282Y276-N280 VanDerWaalsContact CE1-ND2 3.28Å; Y276-N280 WeakPolarHBondContact CE1-ND2 3.45Å; Y276-N280 VanDerWaalsContact O-CG 3.27Å; Y276-N280 PolarHBondContact O-N 2.72Å; Y276-N280 VanDerWaalsContact O-N 3.14Å; Y276-N280 PolarHBondContact O-ND2 3.35Å; H277-N280 PolarHBondContact O-N 3.15Å; N280-G282 PolarHBondContact O-N 3.13Å
281A94.6Very high94.3Very high31 Ų3146.9 Ų46.926%0.25628%0.276SS..THydrogen-bonded Turntrans-79.40.7171.900000113.9H277 L278 E279 C283 H301 Q305H277-A281 PolarHBondContact O-N 2.89Å; L278-A281 CarbonylContact O-C 3.52Å; L278-A281 WeakPolarHBondContact O-CB 3.48Å; L278-A281 PolarHBondContact O-N 2.81Å; E279-A281 PolarHBondContact O-N 3.3Å; A281-C283 VanDerWaalsContact C-N 3.28Å; A281-C283 PolarHBondContact O-N 2.84Å; A281-H301 HydrophobicContact CB-CB 4.24Å; A281-Q305 HydrophobicContact CB-CG 3.84Å
282G95.2Very high94.2Very high71 Ų7147.9 Ų47.973%0.73228%0.282SS*.THydrogen-bonded Turntrans70.920.4-175.600000114.1L278 E279 N280L278-G282 PolarHBondContact O-N 3.3Å; E279-G282 WeakPolarHBondContact O-CA 3.22Å; E279-G282 PolarHBondContact O-N 3.4Å; N280-G282 PolarHBondContact O-N 3.13Å
283C94.4Very high94Very high34 Ų3447.1 Ų47.123%0.2328%0.279CS..PPolyproline II helixtrans-93.7161.3180-65.10000112.3L278 A281 H301L278-C283 HydrophobicContact CB-CB 4.15Å; L278-C283 HydrophobicContact CD2-CB 4.13Å; L278-C283 WeakPolarHBondContact O-CA 3.32Å; L278-C283 VanDerWaalsContact O-CB 3.31Å; L278-C283 WeakPolarHBondContact O-CB 3.34Å; L278-C283 PolarHBondContact O-N 3.39Å; A281-C283 VanDerWaalsContact C-N 3.28Å; A281-C283 PolarHBondContact O-N 2.84Å; C283-H301 PolarHBondContact SG-CD2 3.22Å
284N92.9Very high93.8Very high149 Ų14951.2 Ų51.280%0.79730%0.297SS*.PPolyproline II helixtrans-70.7147.8172.9-67.3-41.6000111.1
285K94.6Very high93.6Very high117 Ų11753.6 Ų53.651%0.50931%0.31SS..PPolyproline II helixtrans-66.8144.7173.5-55.2-171.6-160.4-137.20111.2N275 E279N275-K285 WeakPolarHBondContact OD1-CA 3.16Å; N275-K285 WeakPolarHBondContact OD1-CB 3.21Å; E279-K285 HydrophobicContact CG-CD 4.42Å; E279-K285 HydrophobicContact CG-CG 3.98Å; E279-K285 WeakPolarHBondContact OE1-CD 3.35Å; E279-K285 WeakPolarHBondContact OE1-CE 3.41Å; E279-K285 WeakPolarHBondContact OE1-CG 3.29Å; E279-K285 IonicContact OE1-NZ 2.68Å; E279-K285 PolarHBondContact OE1-NZ 2.94Å; E279-K285 WeakPolarHBondContact OE2-CE 3.44Å; E279-K285 IonicContact OE2-NZ 3.63Å; E279-K285 PolarHBondContact OE2-NZ 2.63Å
286I95.4Very high93.6Very high17 Ų1753.2 Ų53.29%0.08731%0.307CS..PPolyproline II helixtrans-97147.2168.360.6169.8000110.4L271 A274 N275 L278 F289 D292 I293 A298L271-I286 HydrophobicContact CD1-CD1 4.1Å; L271-I286 HydrophobicContact CD1-CG1 3.85Å; A274-I286 HydrophobicContact CB-CD1 4.33Å; N275-I286 PolarHBondContact ND2-O 3.34Å; N275-I286 WeakPolarHBondContact OD1-CG1 3.45Å; N275-I286 PolarHBondContact OD1-N 3.31Å; N275-I286 PolarHBondContact OD1-O 3.44Å; L278-I286 HydrophobicContact CD1-CD1 4.22Å; L278-I286 HydrophobicContact CD1-CG1 3.96Å; L278-I286 HydrophobicContact CD1-CG2 4Å; I286-F289 HydrophobicContact CD1-CD1 3.92Å; I286-F289 HydrophobicContact CD1-CE1 3.68Å; I286-D292 HydrophobicContact CB-CB 3.86Å; I286-D292 HydrophobicContact CG2-CB 3.84Å; I286-I293 HydrophobicContact CD1-CG2 4Å; I286-A298 HydrophobicContact CG2-CB 4.11Å
287G92.5Very high93.6Very high53 Ų5354 Ų5455%0.54631%0.312SS..SBendtrans-101.5-12175.500000114L271 D292L271-G287 WeakPolarHBondContact CD2-O 3.41Å; G287-D292 WeakPolarHBondContact CA-OD2 3.48Å; G287-D292 PolarHBondContact N-OD2 3.4Å
288N90.1Very high93.6Very high47 Ų4754.3 Ų54.325%0.25132%0.316SS..  trans-160.5162.3-178.561.479.6000112S290 T291 D292N288-S290 VanDerWaalsContact C-N 3.32Å; N288-S290 PolarHBondContact O-N 3.32Å; N288-S290 WeakPolarHBondContact OD1-CA 3.33Å; N288-S290 PolarHBondContact OD1-N 3.24Å; N288-S290 PolarHBondContact OD1-OG 3.46Å; N288-T291 PolarHBondContact ND2-OG1 3.43Å; N288-T291 PolarHBondContact OD1-N 2.99Å; N288-T291 PolarHBondContact OD1-OG1 3.41Å; N288-D292 PolarHBondContact N-OD2 2.99Å; N288-D292 PolarHBondContact ND2-OD1 3.26Å; N288-D292 PolarHBondContact ND2-OD2 3.46Å; N288-D292 VanDerWaalsContact ND2-OD2 3.14Å; N288-D292 PolarHBondContact OD1-N 2.99Å
289F90Very high93.6Very high19 Ų1954.3 Ų54.38%0.08332%0.316CS..SBendtrans-95.538.3171.9-57.6-65.1000112.4L270 L271 A274 I286 I293 N363 L364 I367L270-F289 HydrophobicContact CB-CE2 4.19Å; L270-F289 HydrophobicContact CB-CZ 4.31Å; L271-F289 HydrophobicContact CB-CE2 4.08Å; L271-F289 HydrophobicContact CB-CZ 4.19Å; L271-F289 HydrophobicContact CD1-CE1 4.36Å; L271-F289 HydrophobicContact CD1-CE2 4.21Å; L271-F289 HydrophobicContact CD1-CZ 4.02Å; A274-F289 HydrophobicContact CB-CE1 3.94Å; A274-F289 HydrophobicContact CB-CZ 4.1Å; I286-F289 HydrophobicContact CD1-CD1 3.92Å; I286-F289 HydrophobicContact CD1-CE1 3.68Å; F289-I293 HydrophobicContact CD1-CG2 4.49Å; F289-N363 HydrophobicContact CB-CB 4.22Å; F289-N363 VanDerWaalsContact O-CB 3.23Å; F289-N363 WeakPolarHBondContact O-CB 3.48Å; F289-L364 HydrophobicContact CD2-CD1 3.85Å; F289-L364 HydrophobicContact CE2-CD1 4.04Å; F289-I367 HydrophobicContact CD1-CG1 3.92Å; F289-I367 HydrophobicContact CE1-CB 4.35Å; F289-I367 HydrophobicContact CE1-CD1 4.49Å; F289-I367 HydrophobicContact CE1-CG1 3.88Å; F289-I367 HydrophobicContact CE1-CG2 3.87Å; F289-I367 HydrophobicContact CE2-CG2 4.29Å; F289-I367 HydrophobicContact CZ-CG2 3.71Å
290S88.8Confident93.6Very high32 Ų3250.6 Ų50.622%0.22430%0.299CS..SBendtrans-129.3-83.7175.1580000111.7N288 D292 I293 K294 G358N288-S290 VanDerWaalsContact C-N 3.32Å; N288-S290 PolarHBondContact O-N 3.32Å; N288-S290 WeakPolarHBondContact OD1-CA 3.33Å; N288-S290 PolarHBondContact OD1-N 3.24Å; N288-S290 PolarHBondContact OD1-OG 3.46Å; S290-D292 VanDerWaalsContact C-N 3.34Å; S290-D292 PolarHBondContact O-N 2.85Å; S290-I293 WeakPolarHBondContact O-CD1 3.27Å; S290-K294 WeakPolarHBondContact O-CG 3.46Å; S290-G358 WeakPolarHBondContact CA-O 3.46Å; S290-G358 WeakPolarHBondContact CB-O 3.42Å; S290-G358 WeakPolarHBondContact O-CA 3.41Å
291T90.4Very high93.8Very high92 Ų9249 Ų4956%0.56429%0.288SS*.G310 helixtrans-67.5-34.1-176.9530000113.3N288 I293N288-T291 PolarHBondContact ND2-OG1 3.43Å; N288-T291 PolarHBondContact OD1-N 2.99Å; N288-T291 PolarHBondContact OD1-OG1 3.41Å; T291-I293 VanDerWaalsContact C-N 3.28Å; T291-I293 PolarHBondContact O-N 2.8Å
292D92.1Very high93.9Very high63 Ų6347.7 Ų47.734%0.33728%0.277SS..G310 helixtrans-84.2-8.3-168.5-56.93.2000112.5I286 G287 N288 S290I286-D292 HydrophobicContact CB-CB 3.86Å; I286-D292 HydrophobicContact CG2-CB 3.84Å; G287-D292 WeakPolarHBondContact CA-OD2 3.48Å; G287-D292 PolarHBondContact N-OD2 3.4Å; N288-D292 PolarHBondContact N-OD2 2.99Å; N288-D292 PolarHBondContact ND2-OD1 3.26Å; N288-D292 PolarHBondContact ND2-OD2 3.46Å; N288-D292 VanDerWaalsContact ND2-OD2 3.14Å; N288-D292 PolarHBondContact OD1-N 2.99Å; S290-D292 VanDerWaalsContact C-N 3.34Å; S290-D292 PolarHBondContact O-N 2.85Å
293I92Very high93.9Very high0 Ų044.4 Ų44.40%024%0.242CC..G310 helixtrans-112.7-4.1-178.258.872.5000113.5I286 F289 S290 T291 D295 S296 A298 Y299 V355 N363I286-I293 HydrophobicContact CD1-CG2 4Å; F289-I293 HydrophobicContact CD1-CG2 4.49Å; S290-I293 WeakPolarHBondContact O-CD1 3.27Å; T291-I293 VanDerWaalsContact C-N 3.28Å; T291-I293 PolarHBondContact O-N 2.8Å; I293-D295 PolarHBondContact O-N 2.7Å; I293-D295 VanDerWaalsContact O-N 3.13Å; I293-S296 PolarHBondContact O-N 3.41Å; I293-A298 HydrophobicContact CG2-CB 4.39Å; I293-Y299 HydrophobicContact CB-CD2 4.42Å; I293-Y299 HydrophobicContact CB-CE1 4.41Å; I293-Y299 HydrophobicContact CB-CE2 3.91Å; I293-Y299 HydrophobicContact CD1-CE2 3.91Å; I293-Y299 HydrophobicContact CG1-CE2 4.14Å; I293-Y299 HydrophobicContact CG2-CE1 4.29Å; I293-V355 HydrophobicContact CD1-CG1 4.47Å; I293-N363 HydrophobicContact CD1-CB 4.2Å; I293-N363 VanDerWaalsContact CD1-CG 3.47Å; I293-N363 WeakPolarHBondContact CD1-OD1 3.27Å
294K93.3Very high94Very high86 Ų8646.3 Ų46.337%0.37425%0.248SC..THydrogen-bonded Turntrans-58.3-33-171.8-62.2-179.368.9-174.70113.3S290 S296 V355 V356S290-K294 WeakPolarHBondContact O-CG 3.46Å; K294-S296 PolarHBondContact O-N 3.22Å; K294-V355 WeakPolarHBondContact CA-O 3.47Å; K294-V356 WeakPolarHBondContact CE-O 3.28Å
295D93.8Very high94.1Very high50 Ų5041.6 Ų41.627%0.26722%0.221SC..THydrogen-bonded Turntrans-83.82.6-177.484-13.3000112.8I293 K297 R333I293-D295 PolarHBondContact O-N 2.7Å; I293-D295 VanDerWaalsContact O-N 3.13Å; D295-K297 PolarHBondContact O-N 3.15Å; D295-K297 WeakPolarHBondContact OD1-CB 3.37Å; D295-K297 PolarHBondContact OD1-N 3.22Å; D295-K297 WeakPolarHBondContact OD2-CD 3.44Å; D295-K297 VanDerWaalsContact OD2-CE 3.28Å; D295-K297 WeakPolarHBondContact OD2-CE 3.44Å; D295-K297 WeakPolarHBondContact OD2-CG 3.18Å; D295-K297 IonicContact OD2-NZ 3.26Å; D295-K297 PolarHBondContact OD2-NZ 2.88Å; D295-K297 VanDerWaalsContact OD2-NZ 3.07Å; D295-R333 VanDerWaalsContact O-CZ 3.27Å; D295-R333 PolarHBondContact O-NE 3.1Å; D295-R333 PolarHBondContact O-NH2 3.45Å
296S96.8Very high94.1Very high0 Ų036.2 Ų36.20%020%0.198CC..SBendtrans60.10.2-179.4-56.50000116.2I293 K294 Y299 Y300 A334 V355I293-S296 PolarHBondContact O-N 3.41Å; K294-S296 PolarHBondContact O-N 3.22Å; S296-Y299 PolarHBondContact O-N 3.37Å; S296-Y300 WeakPolarHBondContact O-CD2 3.44Å; S296-Y300 PolarHBondContact O-N 3.4Å; S296-A334 VanDerWaalsContact OG-CA 3.29Å; S296-A334 WeakPolarHBondContact OG-CA 3.46Å; S296-A334 VanDerWaalsContact OG-CB 3.28Å; S296-A334 WeakPolarHBondContact OG-CB 3.4Å; S296-V355 WeakPolarHBondContact OG-CG1 3.48Å
297K95.6Very high94.1Very high95 Ų9535.8 Ų35.841%0.41320%0.197SC..Hα-helixtrans-69.1-44.7-175.9-64.8-176.3-168.6143.20111.8D295 Y299 Y300 H301 L325D295-K297 PolarHBondContact O-N 3.15Å; D295-K297 WeakPolarHBondContact OD1-CB 3.37Å; D295-K297 PolarHBondContact OD1-N 3.22Å; D295-K297 WeakPolarHBondContact OD2-CD 3.44Å; D295-K297 VanDerWaalsContact OD2-CE 3.28Å; D295-K297 WeakPolarHBondContact OD2-CE 3.44Å; D295-K297 WeakPolarHBondContact OD2-CG 3.18Å; D295-K297 IonicContact OD2-NZ 3.26Å; D295-K297 PolarHBondContact OD2-NZ 2.88Å; D295-K297 VanDerWaalsContact OD2-NZ 3.07Å; K297-Y299 PolarHBondContact O-N 3.49Å; K297-Y300 PolarHBondContact O-N 3.32Å; K297-H301 PolarHBondContact O-CD2 3.36Å; K297-H301 PolarHBondContact O-N 2.9Å; K297-L325 HydrophobicContact CB-CD2 4.22Å; K297-L325 HydrophobicContact CG-CD2 3.91Å
298A96.2Very high94Very high13 Ų1334.3 Ų34.311%0.10718%0.178CC..Hα-helixtrans-56.4-39.6173.500000111.1L278 I286 I293 H301 L302L278-A298 HydrophobicContact CD1-CB 4.28Å; L278-A298 HydrophobicContact CD2-CB 4.17Å; L278-A298 WeakPolarHBondContact CD2-O 3.41Å; I286-A298 HydrophobicContact CG2-CB 4.11Å; I293-A298 HydrophobicContact CG2-CB 4.39Å; A298-H301 PolarHBondContact O-N 3.44Å; A298-L302 VanDerWaalsContact O-CB 3.28Å; A298-L302 WeakPolarHBondContact O-CB 3.27Å; A298-L302 PolarHBondContact O-N 3.2Å
299Y96.7Very high93.9Very high3 Ų339 Ų391%0.01220%0.196CC..Hα-helixtrans-66.3-42.7177.3-73.4-36.9000113.7I293 S296 K297 H301 L302 L303 M337 V355 N363 F366 I367I293-Y299 HydrophobicContact CB-CD2 4.42Å; I293-Y299 HydrophobicContact CB-CE1 4.41Å; I293-Y299 HydrophobicContact CB-CE2 3.91Å; I293-Y299 HydrophobicContact CD1-CE2 3.91Å; I293-Y299 HydrophobicContact CG1-CE2 4.14Å; I293-Y299 HydrophobicContact CG2-CE1 4.29Å; S296-Y299 PolarHBondContact O-N 3.37Å; K297-Y299 PolarHBondContact O-N 3.49Å; Y299-H301 VanDerWaalsContact C-N 3.35Å; Y299-H301 PolarHBondContact O-N 3.32Å; Y299-L302 PolarHBondContact O-N 3.11Å; Y299-L303 WeakPolarHBondContact O-CB 3.41Å; Y299-L303 WeakPolarHBondContact O-CG 3.2Å; Y299-L303 PolarHBondContact O-N 2.99Å; Y299-M337 HydrophobicContact CD2-CE 3.59Å; Y299-M337 HydrophobicContact CD2-SD 4.31Å; Y299-M337 HydrophobicContact CE2-CE 4.36Å; Y299-M337 HydrophobicContact CG-CE 4.13Å; Y299-M337 HydrophobicContact CG-SD 4.25Å; Y299-V355 HydrophobicContact CD2-CG1 4.02Å; Y299-V355 HydrophobicContact CE2-CG1 3.9Å; Y299-V355 HydrophobicContact CE2-CG2 4.28Å; Y299-N363 WeakPolarHBondContact CE2-OD1 3.44Å; Y299-N363 VanDerWaalsContact OH-CB 3.26Å; Y299-N363 WeakPolarHBondContact OH-CB 3.4Å; Y299-N363 PolarHBondContact OH-OD1 3.42Å; Y299-F366 HydrophobicContact CD1-CE1 4.07Å; Y299-F366 HydrophobicContact CE1-CD1 4.08Å; Y299-F366 HydrophobicContact CE1-CE1 4.09Å; Y299-F366 HydrophobicContact CE2-CD1 4.49Å; Y299-F366 HydrophobicContact CG-CE1 4.33Å; Y299-I367 HydrophobicContact CD1-CD1 3.91Å; Y299-I367 HydrophobicContact CE1-CD1 3.34Å; Y299-I367 HydrophobicContact CE1-CG1 3.69Å
300Y96.9Very high93.6Very high1 Ų140 Ų400%0.00421%0.212CC..Hα-helixtrans-56.3-49.6174.5-89.7-77.3000112.2S296 K297 L302 L303 E304 D321 M322 G324 L325 R333 C336 M337 Q340S296-Y300 WeakPolarHBondContact O-CD2 3.44Å; S296-Y300 PolarHBondContact O-N 3.4Å; K297-Y300 PolarHBondContact O-N 3.32Å; Y300-L302 VanDerWaalsContact C-N 3.33Å; Y300-L302 PolarHBondContact O-N 3.4Å; Y300-L303 PolarHBondContact O-N 2.88Å; Y300-E304 WeakPolarHBondContact O-CB 3.43Å; Y300-E304 PolarHBondContact O-N 3.05Å; Y300-D321 WeakPolarHBondContact CE1-O 3.08Å; Y300-M322 HydrophobicContact CD1-SD 3.76Å; Y300-M322 HydrophobicContact CG-SD 4.28Å; Y300-G324 WeakPolarHBondContact OH-CA 3.36Å; Y300-L325 HydrophobicContact CD1-CG 4.33Å; Y300-L325 HydrophobicContact CD2-CD2 3.47Å; Y300-L325 VanDerWaalsContact CD2-CD2 3.47Å; Y300-L325 HydrophobicContact CD2-CG 3.91Å; Y300-L325 HydrophobicContact CE2-CD2 4.19Å; Y300-L325 HydrophobicContact CE2-CG 4.43Å; Y300-L325 HydrophobicContact CG-CD1 4.5Å; Y300-L325 HydrophobicContact CG-CD2 3.77Å; Y300-L325 HydrophobicContact CG-CG 3.86Å; Y300-R333 HydrophobicContact CE2-CG 3.83Å; Y300-R333 PolarHBondContact OH-O 3.25Å; Y300-C336 WeakPolarHBondContact OH-CB 3.43Å; Y300-M337 HydrophobicContact CD2-CB 4.06Å; Y300-M337 HydrophobicContact CD2-CG 4.18Å; Y300-M337 HydrophobicContact CE1-CB 4.37Å; Y300-M337 HydrophobicContact CE2-CB 3.56Å; Y300-M337 HydrophobicContact CE2-CG 4.19Å; Y300-M337 HydrophobicContact CG-CG 4.5Å; Y300-M337 PolarHBondContact OH-N 2.88Å; Y300-Q340 HydrophobicContact CE1-CG 4.31Å
301H96.8Very high93.1Very high56 Ų5645.2 Ų45.226%0.25924%0.237SC..Hα-helixtrans-66-37.7-179.9-69.1-65.1000112.3L278 A281 C283 K297 A298 Y299 E304 Q305L278-H301 HydrophobicContact CD2-CB 4.03Å; A281-H301 HydrophobicContact CB-CB 4.24Å; C283-H301 PolarHBondContact SG-CD2 3.22Å; K297-H301 PolarHBondContact O-CD2 3.36Å; K297-H301 PolarHBondContact O-N 2.9Å; A298-H301 PolarHBondContact O-N 3.44Å; Y299-H301 VanDerWaalsContact C-N 3.35Å; Y299-H301 PolarHBondContact O-N 3.32Å; H301-E304 PolarHBondContact O-N 3.48Å; H301-Q305 VanDerWaalsContact O-CG 3.29Å; H301-Q305 WeakPolarHBondContact O-CG 3.42Å; H301-Q305 PolarHBondContact O-N 3.08Å; H301-Q305 VanDerWaalsContact O-N 3.08Å
302L96.6Very high92.4Very high4 Ų446.8 Ų46.82%0.02124%0.238CC..Hα-helixtrans-64.3-47.3175-175.962.1000111.5W273 A274 H277 A298 Y299 Y300 E304 Q305 V306 I367 L370W273-L302 HydrophobicContact CH2-CD1 4.11Å; W273-L302 HydrophobicContact CH2-CD2 4.21Å; W273-L302 HydrophobicContact CH2-CG 4.35Å; W273-L302 HydrophobicContact CZ3-CD1 4.21Å; W273-L302 HydrophobicContact CZ3-CD2 3.93Å; W273-L302 HydrophobicContact CZ3-CG 4.48Å; A274-L302 HydrophobicContact CB-CD2 4.29Å; H277-L302 HydrophobicContact CB-CD1 3.6Å; A298-L302 VanDerWaalsContact O-CB 3.28Å; A298-L302 WeakPolarHBondContact O-CB 3.27Å; A298-L302 PolarHBondContact O-N 3.2Å; Y299-L302 PolarHBondContact O-N 3.11Å; Y300-L302 VanDerWaalsContact C-N 3.33Å; Y300-L302 PolarHBondContact O-N 3.4Å; L302-E304 VanDerWaalsContact C-N 3.31Å; L302-E304 PolarHBondContact O-N 3.15Å; L302-Q305 PolarHBondContact O-N 2.88Å; L302-V306 HydrophobicContact CD1-CG1 4.06Å; L302-V306 WeakPolarHBondContact O-CG1 3.32Å; L302-V306 WeakPolarHBondContact O-CG2 3.32Å; L302-V306 PolarHBondContact O-N 3.46Å; L302-I367 HydrophobicContact CD2-CD1 3.44Å; L302-I367 VanDerWaalsContact CD2-CD1 3.44Å; L302-L370 HydrophobicContact CD2-CD2 4.06Å; L302-L370 HydrophobicContact CG-CD2 4.14Å
303L96.7Very high91.5Very high1 Ų153.5 Ų53.51%0.00527%0.267CS..Hα-helixtrans-58.2-43.5177.1-70.1171.3000111.5Y299 Y300 Q305 V306 A307 I320 M337 Q340 A341 L344 L370Y299-L303 WeakPolarHBondContact O-CB 3.41Å; Y299-L303 WeakPolarHBondContact O-CG 3.2Å; Y299-L303 PolarHBondContact O-N 2.99Å; Y300-L303 PolarHBondContact O-N 2.88Å; L303-Q305 VanDerWaalsContact C-N 3.34Å; L303-Q305 PolarHBondContact O-N 3.44Å; L303-V306 PolarHBondContact O-N 2.99Å; L303-A307 VanDerWaalsContact O-CB 3.23Å; L303-A307 WeakPolarHBondContact O-CB 3.49Å; L303-A307 PolarHBondContact O-N 3.35Å; L303-I320 HydrophobicContact CB-CD1 4.42Å; L303-I320 HydrophobicContact CB-CG1 4.36Å; L303-I320 HydrophobicContact CB-CG2 4.41Å; L303-M337 HydrophobicContact CD1-CG 3.77Å; L303-M337 HydrophobicContact CD1-SD 3.73Å; L303-Q340 HydrophobicContact CD1-CB 4.26Å; L303-A341 HydrophobicContact CD1-CB 4.34Å; L303-A341 HydrophobicContact CD2-CB 4.15Å; L303-L344 HydrophobicContact CD2-CD1 3.75Å; L303-L370 HydrophobicContact CD2-CD1 3.93Å; L303-L370 HydrophobicContact CD2-CD2 3.91Å
304E95.8Very high90.6Very high75 Ų7557.3 Ų57.335%0.3531%0.307SS..Hα-helixtrans-60.1-42.4176.2-175.377.9-146.700112Y300 H301 L302 I320 M322Y300-E304 WeakPolarHBondContact O-CB 3.43Å; Y300-E304 PolarHBondContact O-N 3.05Å; H301-E304 PolarHBondContact O-N 3.48Å; L302-E304 VanDerWaalsContact C-N 3.31Å; L302-E304 PolarHBondContact O-N 3.15Å; E304-I320 WeakPolarHBondContact OE2-CB 3.38Å; E304-M322 HydrophobicContact CB-CE 4.42Å; E304-M322 HydrophobicContact CB-SD 4.32Å; E304-M322 VanDerWaalsContact OE2-CG 3.22Å; E304-M322 WeakPolarHBondContact OE2-CG 3.46Å
305Q95Very high89.9Confident50 Ų5055.7 Ų55.723%0.23430%0.304CS..Hα-helixtrans-70.1-37.7-178.5-72.1-64.6-53.400113.1H277 A281 H301 L302 L303H277-Q305 HydrophobicContact CB-CB 3.98Å; H277-Q305 HydrophobicContact CB-CG 4.35Å; A281-Q305 HydrophobicContact CB-CG 3.84Å; H301-Q305 VanDerWaalsContact O-CG 3.29Å; H301-Q305 WeakPolarHBondContact O-CG 3.42Å; H301-Q305 PolarHBondContact O-N 3.08Å; H301-Q305 VanDerWaalsContact O-N 3.08Å; L302-Q305 PolarHBondContact O-N 2.88Å; L303-Q305 VanDerWaalsContact C-N 3.34Å; L303-Q305 PolarHBondContact O-N 3.44Å
306V94.9Very high89.4Confident4 Ų458.1 Ų58.12%0.02432%0.322CS..Hα-helixtrans-90.6-15.5-174.8-53.70000113.1W273 L302 L303 L370 Y374 A376W273-V306 HydrophobicContact CH2-CG1 4.11Å; W273-V306 HydrophobicContact CZ2-CG1 3.6Å; L302-V306 HydrophobicContact CD1-CG1 4.06Å; L302-V306 WeakPolarHBondContact O-CG1 3.32Å; L302-V306 WeakPolarHBondContact O-CG2 3.32Å; L302-V306 PolarHBondContact O-N 3.46Å; L303-V306 PolarHBondContact O-N 2.99Å; V306-L370 HydrophobicContact CG2-CD1 3.87Å; V306-L370 HydrophobicContact CG2-CD2 4.09Å; V306-L370 HydrophobicContact CG2-CG 4.05Å; V306-Y374 WeakPolarHBondContact O-CB 3.37Å; V306-A376 HydrophobicContact CB-CB 4.14Å; V306-A376 HydrophobicContact CG1-CB 4.26Å
307A94.3Very high89Confident8 Ų860.9 Ų60.97%0.06635%0.345CS..SBendtrans-61.2137.7179.500000111L303 K309 V318 I320 L344L303-A307 VanDerWaalsContact O-CB 3.23Å; L303-A307 WeakPolarHBondContact O-CB 3.49Å; L303-A307 PolarHBondContact O-N 3.35Å; A307-K309 PolarHBondContact O-N 3.41Å; A307-V318 WeakPolarHBondContact CB-O 3.43Å; A307-I320 HydrophobicContact CB-CD1 4.04Å; A307-I320 HydrophobicContact CB-CG1 3.77Å; A307-L344 HydrophobicContact CB-CD2 4.03Å
308P91.2Very high88.9Confident21 Ų2157.6 Ų57.614%0.13633%0.333CS..  trans-62.2130.8-179.825.3-34.1000110.4V315 A317 V318 Y374P308-V315 HydrophobicContact CB-CG1 3.61Å; P308-V315 HydrophobicContact CG-CG1 4.16Å; P308-A317 CarbonylContact O-C 3.59Å; P308-A317 VanDerWaalsContact O-CA 3.29Å; P308-A317 WeakPolarHBondContact O-CA 3.23Å; P308-V318 HydrophobicContact CG-CB 4.05Å; P308-V318 HydrophobicContact CG-CG2 3.83Å; P308-V318 PolarHBondContact O-N 3.44Å; P308-Y374 HydrophobicContact CG-CE1 4.17Å
309K88.4Confident88.7Confident146 Ų14662 Ų6264%0.63536%0.359SS*.  trans-86.5-9.5-177.6-63.9178.7-176171.10113.6A307 D311 A317A307-K309 PolarHBondContact O-N 3.41Å; K309-D311 WeakPolarHBondContact CB-OD2 3.47Å; K309-A317 WeakPolarHBondContact O-CB 3.34Å
310G82.9Confident88.6Confident40 Ų4062.2 Ų62.241%0.41236%0.36SS..SBendtrans85.712.5-175.300000114.2E312G310-E312 VanDerWaalsContact C-N 3.34Å
311D79.2Confident88.6Confident141 Ų14165.9 Ų65.975%0.75438%0.379SS*.  trans-81.5-16.6178.9-56.5-35.7000112.3K309K309-D311 WeakPolarHBondContact CB-OD2 3.47Å
312E75.5Confident88.5Confident126 Ų12665.6 Ų65.659%0.58938%0.379SS*.SBendtrans-96.8135-179.9-66.9-178.8-175.300111.6G310 G314 V315G310-E312 VanDerWaalsContact C-N 3.34Å; E312-G314 PolarHBondContact O-N 2.85Å; E312-V315 HydrophobicContact CB-CB 4.25Å; E312-V315 HydrophobicContact CB-CG2 4.15Å; E312-V315 PolarHBondContact O-N 3.34Å
313E72.9Confident88.4Confident203 Ų20367.6 Ų67.695%0.94939%0.393SS*.THydrogen-bonded Turntrans-62.3121.3-177.4-166.9172.9-169.900111.1
314G73.9Confident88.3Confident81 Ų8167.7 Ų67.784%0.83539%0.394SS*.THydrogen-bonded Turntrans86.2-2179.100000115.7E312E312-G314 PolarHBondContact O-N 2.85Å
315V78.3Confident88.2Confident52 Ų5266.3 Ų66.332%0.31539%0.389SS..  trans-105.3110.6176.8-1730000110P308 E312P308-V315 HydrophobicContact CB-CG1 3.61Å; P308-V315 HydrophobicContact CG-CG1 4.16Å; E312-V315 HydrophobicContact CB-CB 4.25Å; E312-V315 HydrophobicContact CB-CG2 4.15Å; E312-V315 PolarHBondContact O-N 3.34Å
316P82.8Confident88.2Confident100 Ų10073.5 Ų73.565%0.64941%0.414SS*.  trans-68.1143.6-179.828.1-33.5000111.2V318P316-V318 PolarHBondContact O-N 3.07Å
317A89.6Confident88.3Confident58 Ų5877 Ų7748%0.47943%0.43SS..  trans-63.1135.4173.800000111.1P308 K309P308-A317 CarbonylContact O-C 3.59Å; P308-A317 VanDerWaalsContact O-CA 3.29Å; P308-A317 WeakPolarHBondContact O-CA 3.23Å; K309-A317 WeakPolarHBondContact O-CB 3.34Å
318V92.2Very high88.3Confident26 Ų2685.9 Ų85.916%0.15847%0.467CS..  trans-118.6105.8173.9-178.50000108.9A307 P308 P316 I320 R343 L344A307-V318 WeakPolarHBondContact CB-O 3.43Å; P308-V318 HydrophobicContact CG-CB 4.05Å; P308-V318 HydrophobicContact CG-CG2 3.83Å; P308-V318 PolarHBondContact O-N 3.44Å; P316-V318 PolarHBondContact O-N 3.07Å; V318-I320 HydrophobicContact CG1-CD1 4.36Å; V318-R343 HydrophobicContact CG1-CB 4.24Å; V318-L344 HydrophobicContact CB-CD2 3.89Å; V318-L344 HydrophobicContact CG1-CD2 3.72Å; V318-L344 HydrophobicContact CG1-CG 4.45Å; V318-L344 HydrophobicContact CG2-CD2 4.28Å
319V92.8Very high88.5Confident106 Ų10688.3 Ų88.364%0.64248%0.479SS*.  trans-83.2121.9177.4-178.70000109.9R343V319-R343 PolarHBondContact O-NH1 3.48Å; V319-R343 PolarHBondContact O-NH2 3.25Å
320I95.1Very high88.8Confident7 Ų784.3 Ų84.34%0.03647%0.465CS..  trans-79.6130.8177.2-58-57.6000109.6L303 E304 A307 V318 M322 Q340 L344L303-I320 HydrophobicContact CB-CD1 4.42Å; L303-I320 HydrophobicContact CB-CG1 4.36Å; L303-I320 HydrophobicContact CB-CG2 4.41Å; E304-I320 WeakPolarHBondContact OE2-CB 3.38Å; A307-I320 HydrophobicContact CB-CD1 4.04Å; A307-I320 HydrophobicContact CB-CG1 3.77Å; V318-I320 HydrophobicContact CG1-CD1 4.36Å; I320-M322 HydrophobicContact CG2-SD 4.09Å; I320-M322 PolarHBondContact O-N 3.2Å; I320-Q340 HydrophobicContact CD1-CB 4.2Å; I320-Q340 HydrophobicContact CG2-CB 3.99Å; I320-Q340 HydrophobicContact CG2-CG 3.95Å; I320-L344 HydrophobicContact CD1-CD1 4.1Å; I320-L344 HydrophobicContact CD1-CD2 4.47Å; I320-L344 HydrophobicContact CD1-CG 4.18Å
321D95.1Very high89.5Confident78 Ų7886.2 Ų86.242%0.41746%0.464SS..  trans-82.1107.1173.7-179.315.7000110.6Y300 S323Y300-D321 WeakPolarHBondContact CE1-O 3.08Å; D321-S323 VanDerWaalsContact C-N 3.27Å; D321-S323 PolarHBondContact O-N 3.01Å; D321-S323 WeakPolarHBondContact OD1-CB 3.4Å; D321-S323 PolarHBondContact OD1-N 3.25Å; D321-S323 PolarHBondContact OD1-OG 3.36Å; D321-S323 PolarHBondContact OD2-OG 2.93Å
322M95.6Very high90.3Very high51 Ų5184.8 Ų84.825%0.25145%0.453SS..G310 helixtrans-81.7-1.2178.9-63.2-65.1-90.600113.5Y300 E304 I320 G324 L325Y300-M322 HydrophobicContact CD1-SD 3.76Å; Y300-M322 HydrophobicContact CG-SD 4.28Å; E304-M322 HydrophobicContact CB-CE 4.42Å; E304-M322 HydrophobicContact CB-SD 4.32Å; E304-M322 VanDerWaalsContact OE2-CG 3.22Å; E304-M322 WeakPolarHBondContact OE2-CG 3.46Å; I320-M322 HydrophobicContact CG2-SD 4.09Å; I320-M322 PolarHBondContact O-N 3.2Å; M322-G324 PolarHBondContact O-N 3.34Å; M322-L325 HydrophobicContact CB-CD1 4.44Å; M322-L325 HydrophobicContact CE-CD1 3.62Å; M322-L325 WeakPolarHBondContact O-CB 3.35Å; M322-L325 PolarHBondContact O-N 3.4Å; M322-L325 VanDerWaalsContact O-N 3.12Å; M322-L325 HydrophobicContact SD-CD1 4.33Å
323S95Very high91.4Very high46 Ų4679.4 Ų79.432%0.32243%0.427SS..G310 helixtrans-59-32.6-177.974.90000112.9D321 L325 R326D321-S323 VanDerWaalsContact C-N 3.27Å; D321-S323 PolarHBondContact O-N 3.01Å; D321-S323 WeakPolarHBondContact OD1-CB 3.4Å; D321-S323 PolarHBondContact OD1-N 3.25Å; D321-S323 PolarHBondContact OD1-OG 3.36Å; D321-S323 PolarHBondContact OD2-OG 2.93Å; S323-L325 PolarHBondContact O-N 3.46Å; S323-L325 VanDerWaalsContact O-N 3.16Å; S323-R326 WeakPolarHBondContact O-CB 3.41Å; S323-R326 PolarHBondContact O-N 2.95Å
324G93.3Very high92.5Very high2 Ų269.7 Ų69.72%0.02138%0.382CS..G310 helixtrans-63-17178.400000114.3Y300 M322 R326 E327 R333Y300-G324 WeakPolarHBondContact OH-CA 3.36Å; M322-G324 PolarHBondContact O-N 3.34Å; G324-R326 PolarHBondContact O-N 3.16Å; G324-R326 VanDerWaalsContact O-N 3.15Å; G324-E327 VanDerWaalsContact O-CB 3.29Å; G324-E327 WeakPolarHBondContact O-CB 3.45Å; G324-E327 WeakPolarHBondContact O-CG 3.48Å; G324-E327 PolarHBondContact O-N 3.08Å; G324-R333 WeakPolarHBondContact O-CG 3.24Å
325L94.2Very high93.6Very high46 Ų4668.6 Ų68.624%0.24136%0.355CS..G310 helixtrans-61.5-20.4170.9-75.9174.3000113.4K297 Y300 M322 S323 E327K297-L325 HydrophobicContact CB-CD2 4.22Å; K297-L325 HydrophobicContact CG-CD2 3.91Å; Y300-L325 HydrophobicContact CD1-CG 4.33Å; Y300-L325 HydrophobicContact CD2-CD2 3.47Å; Y300-L325 VanDerWaalsContact CD2-CD2 3.47Å; Y300-L325 HydrophobicContact CD2-CG 3.91Å; Y300-L325 HydrophobicContact CE2-CD2 4.19Å; Y300-L325 HydrophobicContact CE2-CG 4.43Å; Y300-L325 HydrophobicContact CG-CD1 4.5Å; Y300-L325 HydrophobicContact CG-CD2 3.77Å; Y300-L325 HydrophobicContact CG-CG 3.86Å; M322-L325 HydrophobicContact CB-CD1 4.44Å; M322-L325 HydrophobicContact CE-CD1 3.62Å; M322-L325 WeakPolarHBondContact O-CB 3.35Å; M322-L325 PolarHBondContact O-N 3.4Å; M322-L325 VanDerWaalsContact O-N 3.12Å; M322-L325 HydrophobicContact SD-CD1 4.33Å; S323-L325 PolarHBondContact O-N 3.46Å; S323-L325 VanDerWaalsContact O-N 3.16Å; L325-E327 VanDerWaalsContact C-N 3.28Å
326R95.1Very high94.5Very high202 Ų20267.7 Ų67.776%0.76235%0.351SS*.G310 helixtrans-79.5-12.1176.8-67.1-177.9-90.2-144.8-4.6113.1S323 G324 K328S323-R326 WeakPolarHBondContact O-CB 3.41Å; S323-R326 PolarHBondContact O-N 2.95Å; G324-R326 PolarHBondContact O-N 3.16Å; G324-R326 VanDerWaalsContact O-N 3.15Å; R326-K328 PolarHBondContact O-N 3.01Å
327E96.4Very high95.2Very high76 Ų7662.9 Ų62.936%0.35532%0.32SS..  trans-63.8130.3177.3-67.9-54.7150.100110.7G324 L325 R333G324-E327 VanDerWaalsContact O-CB 3.29Å; G324-E327 WeakPolarHBondContact O-CB 3.45Å; G324-E327 WeakPolarHBondContact O-CG 3.48Å; G324-E327 PolarHBondContact O-N 3.08Å; L325-E327 VanDerWaalsContact C-N 3.28Å; E327-R333 HydrophobicContact CB-CB 3.89Å; E327-R333 HydrophobicContact CB-CG 4.41Å; E327-R333 PolarHBondContact O-NH1 3.37Å
328K94.2Very high95.6Very high195 Ų19560.1 Ų60.185%0.84830%0.297SS*.SBendtrans-82-33.2-179.3-67.1-176.8-179.7178.10112R326R326-K328 PolarHBondContact O-N 3.01Å
329D96.4Very high95.8Very high72 Ų7263 Ų6339%0.38531%0.309SS..SBendtrans-80.7123.7178-178.8-97.8000110I331 Q332 R333D329-I331 VanDerWaalsContact C-N 3.28Å; D329-I331 PolarHBondContact O-N 2.82Å; D329-I331 WeakPolarHBondContact OD1-CB 3.34Å; D329-I331 PolarHBondContact OD1-N 3.19Å; D329-I331 VanDerWaalsContact OD1-N 3.14Å; D329-Q332 HydrophobicContact CB-CB 4.11Å; D329-Q332 HydrophobicContact CB-CG 4.15Å; D329-Q332 PolarHBondContact O-N 2.86Å; D329-Q332 WeakPolarHBondContact OD1-CG 3.33Å; D329-Q332 PolarHBondContact OD1-N 2.96Å; D329-R333 WeakPolarHBondContact O-CB 3.34Å; D329-R333 PolarHBondContact O-N 2.93Å
330D95.3Very high96Very high63 Ų6358.7 Ų58.734%0.33728%0.281SS..Hα-helixtrans-65-33.6-174.8-70.7-5.9000111.9R333 A334 V356D330-R333 IonicContact OD1-CZ 2.8Å; D330-R333 VanDerWaalsContact OD1-CZ 3.3Å; D330-R333 IonicContact OD1-NH1 3.91Å; D330-R333 PolarHBondContact OD1-NH1 3.21Å; D330-R333 IonicContact OD1-NH2 3.91Å; D330-R333 PolarHBondContact OD1-NH2 2.93Å; D330-A334 VanDerWaalsContact O-CB 3.3Å; D330-A334 WeakPolarHBondContact O-CB 3.43Å; D330-A334 PolarHBondContact O-N 2.94Å; D330-V356 HydrophobicContact CB-CG1 4.05Å; D330-V356 HydrophobicContact CB-CG2 3.87Å; D330-V356 WeakPolarHBondContact O-CG2 3.45Å
331I95.9Very high96Very high79 Ų7958.3 Ų58.341%0.40528%0.28SS..Hα-helixtrans-71.7-46-179.8-61176.9000109.9D329 R333 A334 E335 A352 V356D329-I331 VanDerWaalsContact C-N 3.28Å; D329-I331 PolarHBondContact O-N 2.82Å; D329-I331 WeakPolarHBondContact OD1-CB 3.34Å; D329-I331 PolarHBondContact OD1-N 3.19Å; D329-I331 VanDerWaalsContact OD1-N 3.14Å; I331-R333 VanDerWaalsContact C-N 3.33Å; I331-R333 PolarHBondContact O-N 3.23Å; I331-A334 PolarHBondContact O-N 3.33Å; I331-E335 PolarHBondContact O-N 3.31Å; I331-A352 HydrophobicContact CG2-CB 4.08Å; I331-V356 HydrophobicContact CG1-CB 4.31Å; I331-V356 HydrophobicContact CG1-CG1 4.29Å; I331-V356 HydrophobicContact CG1-CG2 4Å
332Q96.9Very high95.9Very high111 Ų11160.1 Ų60.152%0.51929%0.285SS..Hα-helixtrans-61.7-42.4174.4-69.3175.834.400111.3D329 A334 E335 C336D329-Q332 HydrophobicContact CB-CB 4.11Å; D329-Q332 HydrophobicContact CB-CG 4.15Å; D329-Q332 PolarHBondContact O-N 2.86Å; D329-Q332 WeakPolarHBondContact OD1-CG 3.33Å; D329-Q332 PolarHBondContact OD1-N 2.96Å; Q332-A334 VanDerWaalsContact C-N 3.33Å; Q332-A334 PolarHBondContact O-N 3.44Å; Q332-E335 PolarHBondContact O-N 3.05Å; Q332-C336 PolarHBondContact O-N 2.99Å; Q332-C336 PolarHBondContact O-SG 2.97Å; Q332-C336 VanDerWaalsContact O-SG 3.42Å
333R97.8Very high95.8Very high13 Ų1363.8 Ų63.85%0.04930%0.296CS..Hα-helixtrans-60.5-42.9176-171.2158.768.8-110.7-7.6112.1D295 Y300 G324 E327 D329 D330 I331 M337D295-R333 VanDerWaalsContact O-CZ 3.27Å; D295-R333 PolarHBondContact O-NE 3.1Å; D295-R333 PolarHBondContact O-NH2 3.45Å; Y300-R333 HydrophobicContact CE2-CG 3.83Å; Y300-R333 PolarHBondContact OH-O 3.25Å; G324-R333 WeakPolarHBondContact O-CG 3.24Å; E327-R333 HydrophobicContact CB-CB 3.89Å; E327-R333 HydrophobicContact CB-CG 4.41Å; E327-R333 PolarHBondContact O-NH1 3.37Å; D329-R333 WeakPolarHBondContact O-CB 3.34Å; D329-R333 PolarHBondContact O-N 2.93Å; D330-R333 IonicContact OD1-CZ 2.8Å; D330-R333 VanDerWaalsContact OD1-CZ 3.3Å; D330-R333 IonicContact OD1-NH1 3.91Å; D330-R333 PolarHBondContact OD1-NH1 3.21Å; D330-R333 IonicContact OD1-NH2 3.91Å; D330-R333 PolarHBondContact OD1-NH2 2.93Å; I331-R333 VanDerWaalsContact C-N 3.33Å; I331-R333 PolarHBondContact O-N 3.23Å; R333-M337 PolarHBondContact O-N 3.42Å
334A97.1Very high95.6Very high0 Ų061.6 Ų61.60%028%0.281CS..Hα-helixtrans-64.6-40.7175.500000111.9S296 D330 I331 Q332 M337 L338 A352 V355 V356S296-A334 VanDerWaalsContact OG-CA 3.29Å; S296-A334 WeakPolarHBondContact OG-CA 3.46Å; S296-A334 VanDerWaalsContact OG-CB 3.28Å; S296-A334 WeakPolarHBondContact OG-CB 3.4Å; D330-A334 VanDerWaalsContact O-CB 3.3Å; D330-A334 WeakPolarHBondContact O-CB 3.43Å; D330-A334 PolarHBondContact O-N 2.94Å; I331-A334 PolarHBondContact O-N 3.33Å; Q332-A334 VanDerWaalsContact C-N 3.33Å; Q332-A334 PolarHBondContact O-N 3.44Å; A334-M337 WeakPolarHBondContact O-CB 3.37Å; A334-M337 PolarHBondContact O-N 3.3Å; A334-L338 WeakPolarHBondContact O-CG 3.3Å; A334-L338 PolarHBondContact O-N 3.21Å; A334-A352 HydrophobicContact CB-CB 3.91Å; A334-V355 HydrophobicContact CB-CB 4.18Å; A334-V355 HydrophobicContact CB-CG1 4.18Å; A334-V356 HydrophobicContact CB-CG2 4Å
335E97.3Very high95.5Very high57 Ų5762.5 Ų62.527%0.26629%0.29SS..Hα-helixtrans-64.7-44.4176.6-177.352.9-140.400111.8I331 Q332 M337 L338 Q339 R347 A352I331-E335 PolarHBondContact O-N 3.31Å; Q332-E335 PolarHBondContact O-N 3.05Å; E335-M337 PolarHBondContact O-N 2.82Å; E335-L338 PolarHBondContact O-N 2.98Å; E335-L338 VanDerWaalsContact O-N 3.15Å; E335-Q339 WeakPolarHBondContact O-CG 3.37Å; E335-Q339 PolarHBondContact O-N 3.4Å; E335-R347 IonicContact OE1-CZ 3.87Å; E335-R347 IonicContact OE1-NH1 3.31Å; E335-R347 PolarHBondContact OE1-NH1 2.8Å; E335-R347 IonicContact OE1-NH2 2.79Å; E335-R347 PolarHBondContact OE1-NH2 3.1Å; E335-R347 IonicContact OE2-CZ 2.6Å; E335-R347 IonicContact OE2-NH1 2.85Å; E335-R347 IonicContact OE2-NH2 2.63Å; E335-R347 PolarHBondContact OE2-NH2 3.33Å; E335-A352 HydrophobicContact CB-CB 3.97Å
336C97.4Very high95.3Very high33 Ų3360.3 Ų60.322%0.22328%0.279CS..Hα-helixtrans-59.1-37.6173.2-69.50000111.8Y300 Q332 Q339 Q340Y300-C336 WeakPolarHBondContact OH-CB 3.43Å; Q332-C336 PolarHBondContact O-N 2.99Å; Q332-C336 PolarHBondContact O-SG 2.97Å; Q332-C336 VanDerWaalsContact O-SG 3.42Å; C336-Q339 WeakPolarHBondContact O-CB 3.5Å; C336-Q339 PolarHBondContact O-N 2.88Å; C336-Q340 WeakPolarHBondContact O-CG 3.18Å; C336-Q340 PolarHBondContact O-N 3.47Å
337M97.4Very high95.2Very high0 Ų053.6 Ų53.60%025%0.253CS..Hα-helixtrans-64.4-44.2175.5-179.3-81.2-6300111.1Y299 Y300 L303 R333 A334 E335 Q339 Q340 A341 V355 F366Y299-M337 HydrophobicContact CD2-CE 3.59Å; Y299-M337 HydrophobicContact CD2-SD 4.31Å; Y299-M337 HydrophobicContact CE2-CE 4.36Å; Y299-M337 HydrophobicContact CG-CE 4.13Å; Y299-M337 HydrophobicContact CG-SD 4.25Å; Y300-M337 HydrophobicContact CD2-CB 4.06Å; Y300-M337 HydrophobicContact CD2-CG 4.18Å; Y300-M337 HydrophobicContact CE1-CB 4.37Å; Y300-M337 HydrophobicContact CE2-CB 3.56Å; Y300-M337 HydrophobicContact CE2-CG 4.19Å; Y300-M337 HydrophobicContact CG-CG 4.5Å; Y300-M337 PolarHBondContact OH-N 2.88Å; L303-M337 HydrophobicContact CD1-CG 3.77Å; L303-M337 HydrophobicContact CD1-SD 3.73Å; R333-M337 PolarHBondContact O-N 3.42Å; A334-M337 WeakPolarHBondContact O-CB 3.37Å; A334-M337 PolarHBondContact O-N 3.3Å; E335-M337 PolarHBondContact O-N 2.82Å; M337-Q339 VanDerWaalsContact C-N 3.31Å; M337-Q339 PolarHBondContact O-N 3.15Å; M337-Q340 WeakPolarHBondContact O-CA 3.41Å; M337-Q340 WeakPolarHBondContact O-CB 3.1Å; M337-Q340 PolarHBondContact O-N 3.49Å; M337-A341 PolarHBondContact O-N 3.14Å; M337-V355 HydrophobicContact CE-CG1 4.34Å; M337-V355 HydrophobicContact CE-CG2 4Å; M337-F366 HydrophobicContact SD-CE1 4.37Å; M337-F366 HydrophobicContact SD-CZ 4.1Å
338L96.6Very high94.8Very high0 Ų052.5 Ų52.50%025%0.248CC..Hα-helixtrans-67.4-29.7178.3-67.9176.1000113.1A334 E335 Q340 A341 E342 R347 V350 T351 A352 F366A334-L338 WeakPolarHBondContact O-CG 3.3Å; A334-L338 PolarHBondContact O-N 3.21Å; E335-L338 PolarHBondContact O-N 2.98Å; E335-L338 VanDerWaalsContact O-N 3.15Å; L338-Q340 VanDerWaalsContact C-N 3.3Å; L338-A341 PolarHBondContact O-N 3.46Å; L338-E342 PolarHBondContact O-N 3.22Å; L338-R347 HydrophobicContact CB-CG 4.46Å; L338-V350 HydrophobicContact CD2-CG2 3.61Å; L338-T351 VanDerWaalsContact CD1-C 3.45Å; L338-A352 HydrophobicContact CD1-CB 4.32Å; L338-A352 VanDerWaalsContact CD1-N 3.26Å; L338-F366 HydrophobicContact CD2-CE2 4.16Å; L338-F366 HydrophobicContact CD2-CZ 4.35Å
339Q96.5Very high94.5Very high86 Ų8643.5 Ų43.540%0.40221%0.209SC..Hα-helixtrans-64-36.5169.4-69.3169.54.500111.5E335 C336 M337 E342 R343E335-Q339 WeakPolarHBondContact O-CG 3.37Å; E335-Q339 PolarHBondContact O-N 3.4Å; C336-Q339 WeakPolarHBondContact O-CB 3.5Å; C336-Q339 PolarHBondContact O-N 2.88Å; M337-Q339 VanDerWaalsContact C-N 3.31Å; M337-Q339 PolarHBondContact O-N 3.15Å; Q339-E342 WeakPolarHBondContact O-CB 3.47Å; Q339-E342 PolarHBondContact O-N 2.64Å; Q339-R343 WeakPolarHBondContact O-CG 3.3Å; Q339-R343 PolarHBondContact O-N 3.02Å
340Q96.6Very high94.2Very high15 Ų1540.5 Ų40.57%0.0719%0.194CC..Hα-helixtrans-69.4-40.4173-54.3-44.6-57.200111.7Y300 L303 I320 C336 M337 L338 E342 R343 L344Y300-Q340 HydrophobicContact CE1-CG 4.31Å; L303-Q340 HydrophobicContact CD1-CB 4.26Å; I320-Q340 HydrophobicContact CD1-CB 4.2Å; I320-Q340 HydrophobicContact CG2-CB 3.99Å; I320-Q340 HydrophobicContact CG2-CG 3.95Å; C336-Q340 WeakPolarHBondContact O-CG 3.18Å; C336-Q340 PolarHBondContact O-N 3.47Å; M337-Q340 WeakPolarHBondContact O-CA 3.41Å; M337-Q340 WeakPolarHBondContact O-CB 3.1Å; M337-Q340 PolarHBondContact O-N 3.49Å; L338-Q340 VanDerWaalsContact C-N 3.3Å; Q340-E342 VanDerWaalsContact C-N 3.25Å; Q340-E342 PolarHBondContact O-N 3.27Å; Q340-R343 WeakPolarHBondContact O-CB 3.18Å; Q340-R343 PolarHBondContact O-N 3.14Å; Q340-R343 VanDerWaalsContact O-N 3.16Å; Q340-L344 PolarHBondContact O-N 3.15Å
341A95.7Very high94Very high0 Ų039.2 Ų39.20%019%0.188CC..Hα-helixtrans-62.3-32.3173.600000112.6L303 M337 L338 R343 L344 G345 C346 F366L303-A341 HydrophobicContact CD1-CB 4.34Å; L303-A341 HydrophobicContact CD2-CB 4.15Å; M337-A341 PolarHBondContact O-N 3.14Å; L338-A341 PolarHBondContact O-N 3.46Å; A341-R343 VanDerWaalsContact C-N 3.34Å; A341-L344 CarbonylContact O-C 3.55Å; A341-L344 WeakPolarHBondContact O-CB 3.26Å; A341-L344 PolarHBondContact O-N 2.84Å; A341-G345 PolarHBondContact O-N 3.08Å; A341-G345 VanDerWaalsContact O-N 3.08Å; A341-C346 PolarHBondContact O-N 2.99Å; A341-F366 HydrophobicContact CB-CE2 3.8Å; A341-F366 HydrophobicContact CB-CZ 3.8Å
342E94.3Very high93.9Very high115 Ų11535.8 Ų35.854%0.53717%0.172SC..Hα-helixtrans-64.6-37.2174.3-173.7168-144.600112.5L338 Q339 Q340 L344 G345 R347L338-E342 PolarHBondContact O-N 3.22Å; Q339-E342 WeakPolarHBondContact O-CB 3.47Å; Q339-E342 PolarHBondContact O-N 2.64Å; Q340-E342 VanDerWaalsContact C-N 3.25Å; Q340-E342 PolarHBondContact O-N 3.27Å; E342-L344 PolarHBondContact O-N 3.36Å; E342-G345 WeakPolarHBondContact O-CA 3.47Å; E342-G345 PolarHBondContact O-N 2.97Å; E342-R347 HydrophobicContact CB-CB 4.02Å
343R92.8Very high93.6Very high128 Ų12833.2 Ų33.248%0.48316%0.163SC..Hα-helixtrans-64-29.4174.5-64.2171.865.2-156.8-6.5112.4V318 V319 Q339 Q340 A341 G345V318-R343 HydrophobicContact CG1-CB 4.24Å; V319-R343 PolarHBondContact O-NH1 3.48Å; V319-R343 PolarHBondContact O-NH2 3.25Å; Q339-R343 WeakPolarHBondContact O-CG 3.3Å; Q339-R343 PolarHBondContact O-N 3.02Å; Q340-R343 WeakPolarHBondContact O-CB 3.18Å; Q340-R343 PolarHBondContact O-N 3.14Å; Q340-R343 VanDerWaalsContact O-N 3.16Å; A341-R343 VanDerWaalsContact C-N 3.34Å; R343-G345 VanDerWaalsContact C-N 3.3Å
344L91.3Very high93.1Very high1 Ų132.7 Ų32.71%0.00516%0.162CC..THydrogen-bonded Turntrans-81.5-10.8170.3-65.6179.9000112.9L303 A307 V318 I320 Q340 A341 E342 C346 L370 R373 Y374L303-L344 HydrophobicContact CD2-CD1 3.75Å; A307-L344 HydrophobicContact CB-CD2 4.03Å; V318-L344 HydrophobicContact CB-CD2 3.89Å; V318-L344 HydrophobicContact CG1-CD2 3.72Å; V318-L344 HydrophobicContact CG1-CG 4.45Å; V318-L344 HydrophobicContact CG2-CD2 4.28Å; I320-L344 HydrophobicContact CD1-CD1 4.1Å; I320-L344 HydrophobicContact CD1-CD2 4.47Å; I320-L344 HydrophobicContact CD1-CG 4.18Å; Q340-L344 PolarHBondContact O-N 3.15Å; A341-L344 CarbonylContact O-C 3.55Å; A341-L344 WeakPolarHBondContact O-CB 3.26Å; A341-L344 PolarHBondContact O-N 2.84Å; E342-L344 PolarHBondContact O-N 3.36Å; L344-C346 HydrophobicContact CB-CB 4.47Å; L344-L370 HydrophobicContact CD1-CD1 4.21Å; L344-R373 VanDerWaalsContact O-CZ 3.32Å; L344-R373 PolarHBondContact O-NE 3.23Å; L344-Y374 HydrophobicContact CB-CD2 4.44Å; L344-Y374 HydrophobicContact CB-CE2 3.73Å; L344-Y374 HydrophobicContact CD2-CE2 4.15Å; L344-Y374 HydrophobicContact CG-CE2 4.39Å; L344-Y374 VanDerWaalsContact O-CE2 3.28Å; L344-Y374 WeakPolarHBondContact O-CE2 3.49Å; L344-Y374 PolarHBondContact O-OH 2.88Å
345G89.8Confident92.9Very high20 Ų2032.7 Ų32.721%0.20616%0.162CC..THydrogen-bonded Turntrans72.526.8-173.900000113.7A341 E342 R343 Q348 R373A341-G345 PolarHBondContact O-N 3.08Å; A341-G345 VanDerWaalsContact O-N 3.08Å; E342-G345 WeakPolarHBondContact O-CA 3.47Å; E342-G345 PolarHBondContact O-N 2.97Å; R343-G345 VanDerWaalsContact C-N 3.3Å; G345-Q348 PolarHBondContact O-OE1 3.47Å; G345-R373 PolarHBondContact O-NH1 3.5Å
346C91.4Very high92.7Very high0 Ų031.3 Ų31.30%016%0.157CC..  trans-115.18.2-174.8-69.30000114.5A341 L344 Q348 F366 N369 L370 R373A341-C346 PolarHBondContact O-N 2.99Å; L344-C346 HydrophobicContact CB-CB 4.47Å; C346-Q348 VanDerWaalsContact C-OE1 3.3Å; C346-Q348 PolarHBondContact O-N 3.15Å; C346-F366 WeakPolarHBondContact O-CD2 3.38Å; C346-F366 VanDerWaalsContact O-CE2 3.23Å; C346-F366 WeakPolarHBondContact O-CE2 3.45Å; C346-N369 WeakPolarHBondContact CA-ND2 3.28Å; C346-N369 PolarHBondContact O-ND2 2.81Å; C346-L370 HydrophobicContact CB-CD1 4.03Å; C346-R373 VanDerWaalsContact SG-CD 3.56Å
347R91.5Very high92.2Very high61 Ų6135.8 Ų35.823%0.2317%0.169CC..  trans-58.4-15.5-175.3178.3170.8179.5115.48115.4E335 L338 E342E335-R347 IonicContact OE1-CZ 3.87Å; E335-R347 IonicContact OE1-NH1 3.31Å; E335-R347 PolarHBondContact OE1-NH1 2.8Å; E335-R347 IonicContact OE1-NH2 2.79Å; E335-R347 PolarHBondContact OE1-NH2 3.1Å; E335-R347 IonicContact OE2-CZ 2.6Å; E335-R347 IonicContact OE2-NH1 2.85Å; E335-R347 IonicContact OE2-NH2 2.63Å; E335-R347 PolarHBondContact OE2-NH2 3.33Å; L338-R347 HydrophobicContact CB-CG 4.46Å; E342-R347 HydrophobicContact CB-CB 4.02Å
348Q88.1Confident91.6Very high54 Ų5436.1 Ų36.125%0.25217%0.173SC..THydrogen-bonded Turntrans-60.1162.3-169.4-61.57434.100113.3G345 C346 V350 N369G345-Q348 PolarHBondContact O-OE1 3.47Å; C346-Q348 VanDerWaalsContact C-OE1 3.3Å; C346-Q348 PolarHBondContact O-N 3.15Å; Q348-V350 VanDerWaalsContact C-N 3.32Å; Q348-V350 PolarHBondContact O-N 3.11Å; Q348-N369 PolarHBondContact OE1-ND2 2.82Å
349F88.3Confident91Very high6 Ų637.6 Ų37.63%0.02618%0.18CC..THydrogen-bonded Turntrans75.8-29.9176.8-55.3-76.2000118.5A125 W129 I232 L236 A365 N369A125-F349 WeakPolarHBondContact CB-O 3.45Å; W129-F349 HydrophobicContact CB-CE1 4.02Å; W129-F349 HydrophobicContact CB-CZ 4.37Å; W129-F349 AromaticContact CD1-CE1 3.78Å; W129-F349 AromaticContact CD1-CE2 3.8Å; W129-F349 AromaticContact CD1-CZ 3.25Å; W129-F349 HydrophobicContact CD2-CE1 4.07Å; W129-F349 HydrophobicContact CD2-CZ 4.01Å; W129-F349 AromaticContact CE2-CZ 3.9Å; W129-F349 AromaticContact CG-CE1 3.67Å; W129-F349 HydrophobicContact CG-CE1 3.67Å; W129-F349 HydrophobicContact CG-CE2 4.49Å; W129-F349 AromaticContact CG-CZ 3.64Å; W129-F349 HydrophobicContact CG-CZ 3.64Å; W129-F349 AromaticContact NE1-CZ 3.42Å; I232-F349 HydrophobicContact CG2-CE1 3.73Å; I232-F349 HydrophobicContact CG2-CZ 4.08Å; L236-F349 HydrophobicContact CD1-CE1 4.35Å; L236-F349 HydrophobicContact CD1-CE2 4.11Å; L236-F349 HydrophobicContact CD1-CZ 3.84Å; L236-F349 HydrophobicContact CD2-CE2 4.03Å; L236-F349 HydrophobicContact CD2-CZ 4.07Å; L236-F349 HydrophobicContact CG-CZ 4.36Å; F349-A365 HydrophobicContact CB-CB 3.87Å; F349-A365 HydrophobicContact CD1-CB 3.79Å; F349-A365 HydrophobicContact CD2-CB 3.97Å; F349-A365 HydrophobicContact CE1-CB 4.3Å; F349-A365 HydrophobicContact CE2-CB 4.46Å; F349-A365 HydrophobicContact CG-CB 3.6Å; F349-N369 HydrophobicContact CD2-CB 4.21Å; F349-N369 HydrophobicContact CE2-CB 4.03Å
350V90.9Very high90.5Very high9 Ų937.3 Ų37.36%0.05519%0.186CC..  trans-122.6142.6-175.8-71.60000112.7L338 Q348 D354 V355 L362 F366L338-V350 HydrophobicContact CD2-CG2 3.61Å; Q348-V350 VanDerWaalsContact C-N 3.32Å; Q348-V350 PolarHBondContact O-N 3.11Å; V350-D354 HydrophobicContact CB-CB 4.39Å; V350-D354 HydrophobicContact CG1-CB 4.44Å; V350-V355 HydrophobicContact CB-CG2 4.15Å; V350-V355 HydrophobicContact CG2-CG2 4.25Å; V350-L362 HydrophobicContact CG1-CB 3.65Å; V350-L362 WeakPolarHBondContact CG1-O 3.33Å; V350-F366 HydrophobicContact CG1-CB 3.92Å; V350-F366 HydrophobicContact CG2-CB 3.77Å; V350-F366 HydrophobicContact CG2-CD1 4.29Å; V350-F366 HydrophobicContact CG2-CD2 3.52Å; V350-F366 HydrophobicContact CG2-CE2 4.16Å; V350-F366 HydrophobicContact CG2-CG 3.59Å
351T91.2Very high89.9Confident36 Ų3638.5 Ų38.522%0.22119%0.191CC..  trans-98.2166.1161.1710000110.6Y124 L338 T353 D354 V355Y124-T351 HydrophobicContact CD1-CG2 3.79Å; Y124-T351 HydrophobicContact CE1-CG2 3.59Å; L338-T351 VanDerWaalsContact CD1-C 3.45Å; T351-T353 PolarHBondContact O-N 3.36Å; T351-T353 PolarHBondContact OG1-N 3.26Å; T351-D354 VanDerWaalsContact CB-OD2 3.3Å; T351-D354 WeakPolarHBondContact CB-OD2 3.27Å; T351-D354 WeakPolarHBondContact CG2-OD2 3.27Å; T351-D354 PolarHBondContact N-OD2 3.12Å; T351-D354 WeakPolarHBondContact O-CB 3.49Å; T351-D354 PolarHBondContact O-N 3.38Å; T351-D354 PolarHBondContact OG1-N 2.86Å; T351-D354 PolarHBondContact OG1-OD2 3.44Å; T351-V355 PolarHBondContact O-N 3.01Å; T351-V355 VanDerWaalsContact O-N 3.14Å
352A92.9Very high89.6Confident7 Ų738.5 Ų38.56%0.05819%0.191CC..Hα-helixtrans-55.3-37.3174.800000112I331 A334 E335 L338 V355 V356I331-A352 HydrophobicContact CG2-CB 4.08Å; A334-A352 HydrophobicContact CB-CB 3.91Å; E335-A352 HydrophobicContact CB-CB 3.97Å; L338-A352 HydrophobicContact CD1-CB 4.32Å; L338-A352 VanDerWaalsContact CD1-N 3.26Å; A352-V355 PolarHBondContact O-N 2.89Å; A352-V356 WeakPolarHBondContact O-CG2 3.42Å; A352-V356 PolarHBondContact O-N 3.31Å; A352-V356 VanDerWaalsContact O-N 3.09Å
353T90.4Very high89.5Confident56 Ų5633 Ų3334%0.34417%0.165SC..Hα-helixtrans-66.6-38.2176.8-56.30000111.8T351 V356 R357T351-T353 PolarHBondContact O-N 3.36Å; T351-T353 PolarHBondContact OG1-N 3.26Å; T353-V356 PolarHBondContact O-N 3.09Å; T353-R357 HydrophobicContact CG2-CG 4.23Å; T353-R357 VanDerWaalsContact O-CB 3.27Å; T353-R357 WeakPolarHBondContact O-CB 3.36Å; T353-R357 VanDerWaalsContact O-CG 3.27Å; T353-R357 WeakPolarHBondContact O-CG 2.94Å; T353-R357 PolarHBondContact O-N 3.47Å
354D88.6Confident89.5Confident3 Ų327.9 Ų27.92%0.01615%0.147CC..Hα-helixtrans-67.1-37.2179-59.6-45.4000112.6E121 V350 T351 G358 N359 L362 N363E121-D354 VanDerWaalsContact CB-OD1 3.26Å; E121-D354 WeakPolarHBondContact CB-OD1 3.32Å; E121-D354 WeakPolarHBondContact CG-OD1 3.25Å; V350-D354 HydrophobicContact CB-CB 4.39Å; V350-D354 HydrophobicContact CG1-CB 4.44Å; T351-D354 VanDerWaalsContact CB-OD2 3.3Å; T351-D354 WeakPolarHBondContact CB-OD2 3.27Å; T351-D354 WeakPolarHBondContact CG2-OD2 3.27Å; T351-D354 PolarHBondContact N-OD2 3.12Å; T351-D354 WeakPolarHBondContact O-CB 3.49Å; T351-D354 PolarHBondContact O-N 3.38Å; T351-D354 PolarHBondContact OG1-N 2.86Å; T351-D354 PolarHBondContact OG1-OD2 3.44Å; D354-G358 PolarHBondContact O-N 3.43Å; D354-N359 HydrophobicContact CB-CB 4.44Å; D354-N359 PolarHBondContact O-N 2.85Å; D354-L362 HydrophobicContact CB-CD1 4.11Å; D354-N363 PolarHBondContact O-ND2 3.03Å
355V92.4Very high89.5Confident0 Ų027.9 Ų27.90%015%0.147CC..Hα-helixtrans-63.3-54173.7175.40000109.6I293 K294 S296 Y299 A334 M337 V350 T351 A352 R357 G358I293-V355 HydrophobicContact CD1-CG1 4.47Å; K294-V355 WeakPolarHBondContact CA-O 3.47Å; S296-V355 WeakPolarHBondContact OG-CG1 3.48Å; Y299-V355 HydrophobicContact CD2-CG1 4.02Å; Y299-V355 HydrophobicContact CE2-CG1 3.9Å; Y299-V355 HydrophobicContact CE2-CG2 4.28Å; A334-V355 HydrophobicContact CB-CB 4.18Å; A334-V355 HydrophobicContact CB-CG1 4.18Å; M337-V355 HydrophobicContact CE-CG1 4.34Å; M337-V355 HydrophobicContact CE-CG2 4Å; V350-V355 HydrophobicContact CB-CG2 4.15Å; V350-V355 HydrophobicContact CG2-CG2 4.25Å; T351-V355 PolarHBondContact O-N 3.01Å; T351-V355 VanDerWaalsContact O-N 3.14Å; A352-V355 PolarHBondContact O-N 2.89Å; V355-R357 VanDerWaalsContact C-N 3.29Å; V355-R357 PolarHBondContact O-N 3.39Å; V355-G358 WeakPolarHBondContact O-CA 3.42Å; V355-G358 PolarHBondContact O-N 3.01Å
356V92.2Very high89.8Confident27 Ų2726.9 Ų26.916%0.16414%0.137CC..Hα-helixtrans-66.7-29.4-178.3178.10000112.2K294 D330 I331 A334 A352 T353 G358K294-V356 WeakPolarHBondContact CE-O 3.28Å; D330-V356 HydrophobicContact CB-CG1 4.05Å; D330-V356 HydrophobicContact CB-CG2 3.87Å; D330-V356 WeakPolarHBondContact O-CG2 3.45Å; I331-V356 HydrophobicContact CG1-CB 4.31Å; I331-V356 HydrophobicContact CG1-CG1 4.29Å; I331-V356 HydrophobicContact CG1-CG2 4Å; A334-V356 HydrophobicContact CB-CG2 4Å; A352-V356 WeakPolarHBondContact O-CG2 3.42Å; A352-V356 PolarHBondContact O-N 3.31Å; A352-V356 VanDerWaalsContact O-N 3.09Å; T353-V356 PolarHBondContact O-N 3.09Å; V356-G358 VanDerWaalsContact C-N 3.27Å
357R87.2Confident90Very high128 Ų12826.9 Ų26.948%0.48314%0.137SC..Hα-helixtrans-74.8-19.1171.5-74.7-179173.2-178.7-3.7112.7E121 T353 V355E121-R357 IonicContact OE1-NH1 2.62Å; E121-R357 PolarHBondContact OE1-NH1 3.34Å; T353-R357 HydrophobicContact CG2-CG 4.23Å; T353-R357 VanDerWaalsContact O-CB 3.27Å; T353-R357 WeakPolarHBondContact O-CB 3.36Å; T353-R357 VanDerWaalsContact O-CG 3.27Å; T353-R357 WeakPolarHBondContact O-CG 2.94Å; T353-R357 PolarHBondContact O-N 3.47Å; V355-R357 VanDerWaalsContact C-N 3.29Å; V355-R357 PolarHBondContact O-N 3.39Å
358G84.4Confident90.1Very high7 Ų724 Ų247%0.07213%0.126CC..THydrogen-bonded Turntrans7041.7-178.100000112.1S290 D354 V355 V356 P360S290-G358 WeakPolarHBondContact CA-O 3.46Å; S290-G358 WeakPolarHBondContact CB-O 3.42Å; S290-G358 WeakPolarHBondContact O-CA 3.41Å; D354-G358 PolarHBondContact O-N 3.43Å; V355-G358 WeakPolarHBondContact O-CA 3.42Å; V355-G358 PolarHBondContact O-N 3.01Å; V356-G358 VanDerWaalsContact C-N 3.27Å; G358-P360 WeakPolarHBondContact O-CD 3.36Å; G358-P360 VanDerWaalsContact O-N 3.1Å
359N85.4Confident90.4Very high30 Ų3022.8 Ų22.816%0.1612%0.122CC..  trans-63.6108.5177.9-176.8-40.7000109.9D354 K361 L362 N363D354-N359 HydrophobicContact CB-CB 4.44Å; D354-N359 PolarHBondContact O-N 2.85Å; N359-K361 VanDerWaalsContact C-N 3.28Å; N359-K361 PolarHBondContact O-N 3.48Å; N359-K361 PolarHBondContact OD1-N 3.37Å; N359-K361 VanDerWaalsContact OD1-N 3.11Å; N359-L362 HydrophobicContact CB-CB 4.37Å; N359-L362 PolarHBondContact O-N 3.5Å; N359-L362 PolarHBondContact OD1-N 3.27Å; N359-N363 PolarHBondContact N-ND2 3.04Å; N359-N363 VanDerWaalsContact O-CB 3.31Å; N359-N363 WeakPolarHBondContact O-CB 3.21Å; N359-N363 PolarHBondContact O-N 3.29Å; N359-N363 VanDerWaalsContact O-N 3.07Å; N359-N363 PolarHBondContact O-ND2 3.11Å
360P84.5Confident90.7Very high81 Ų8122.5 Ų22.553%0.52612%0.121SC..Hα-helixtrans-64.8-32.6-170.125.2-33.8000112.8G358 L364G358-P360 WeakPolarHBondContact O-CD 3.36Å; G358-P360 VanDerWaalsContact O-N 3.1Å; P360-L364 WeakPolarHBondContact O-CB 3.49Å; P360-L364 PolarHBondContact O-N 3.31Å; P360-L364 VanDerWaalsContact O-N 3.09Å
361K84.6Confident91Very high40 Ų4022.1 Ų22.117%0.17412%0.118CC..Hα-helixtrans-70.8-51.4-176.8-172.2-166.1-90.4-179.90110.8E122 F126 W229 N359 L364 A365E122-K361 HydrophobicContact CG-CD 4.2Å; E122-K361 WeakPolarHBondContact OE1-CD 3.33Å; E122-K361 WeakPolarHBondContact OE1-CE 3.4Å; E122-K361 IonicContact OE1-NZ 2.63Å; E122-K361 PolarHBondContact OE1-NZ 2.87Å; E122-K361 IonicContact OE2-NZ 2.72Å; E122-K361 PolarHBondContact OE2-NZ 3.5Å; F126-K361 HydrophobicContact CZ-CD 4.25Å; W229-K361 HydrophobicContact CB-CD 4.49Å; W229-K361 HydrophobicContact CD2-CD 3.32Å; W229-K361 VanDerWaalsContact CD2-CE 3.45Å; W229-K361 HydrophobicContact CD2-CG 3.62Å; W229-K361 HydrophobicContact CE3-CD 3.56Å; W229-K361 HydrophobicContact CE3-CG 3.72Å; W229-K361 HydrophobicContact CG-CD 3.72Å; W229-K361 HydrophobicContact CG-CG 4.44Å; W229-K361 HydrophobicContact CH2-CD 4.19Å; W229-K361 HydrophobicContact CH2-CG 3.38Å; W229-K361 HydrophobicContact CZ2-CD 4.01Å; W229-K361 HydrophobicContact CZ2-CG 3.29Å; W229-K361 HydrophobicContact CZ3-CD 3.98Å; W229-K361 HydrophobicContact CZ3-CG 3.59Å; N359-K361 VanDerWaalsContact C-N 3.28Å; N359-K361 PolarHBondContact O-N 3.48Å; N359-K361 PolarHBondContact OD1-N 3.37Å; N359-K361 VanDerWaalsContact OD1-N 3.11Å; K361-L364 PolarHBondContact O-N 2.96Å; K361-A365 PolarHBondContact O-N 3.2Å
362L89.9Confident91Very high0 Ų023.1 Ų23.10%012%0.122CC..Hα-helixtrans-69.1-41.2-176.9-61-176000111.4E121 E122 A125 F126 V350 D354 N359 L364 A365 F366E121-L362 HydrophobicContact CB-CD1 3.96Å; E122-L362 HydrophobicContact CG-CD2 4.36Å; A125-L362 HydrophobicContact CB-CD1 4.25Å; A125-L362 HydrophobicContact CB-CD2 3.63Å; F126-L362 HydrophobicContact CE1-CD2 4.36Å; V350-L362 HydrophobicContact CG1-CB 3.65Å; V350-L362 WeakPolarHBondContact CG1-O 3.33Å; D354-L362 HydrophobicContact CB-CD1 4.11Å; N359-L362 HydrophobicContact CB-CB 4.37Å; N359-L362 PolarHBondContact O-N 3.5Å; N359-L362 PolarHBondContact OD1-N 3.27Å; L362-L364 PolarHBondContact O-N 3.09Å; L362-A365 PolarHBondContact O-N 3.19Å; L362-F366 WeakPolarHBondContact O-CB 3.19Å; L362-F366 PolarHBondContact O-N 3.48Å
363N92.9Very high90.9Very high0 Ų029.1 Ų29.10%014%0.143CC..Hα-helixtrans-64.7-38.4176.2-77.4-66.5000112.4F289 I293 Y299 D354 N359 F366 I367F289-N363 HydrophobicContact CB-CB 4.22Å; F289-N363 VanDerWaalsContact O-CB 3.23Å; F289-N363 WeakPolarHBondContact O-CB 3.48Å; I293-N363 HydrophobicContact CD1-CB 4.2Å; I293-N363 VanDerWaalsContact CD1-CG 3.47Å; I293-N363 WeakPolarHBondContact CD1-OD1 3.27Å; Y299-N363 WeakPolarHBondContact CE2-OD1 3.44Å; Y299-N363 VanDerWaalsContact OH-CB 3.26Å; Y299-N363 WeakPolarHBondContact OH-CB 3.4Å; Y299-N363 PolarHBondContact OH-OD1 3.42Å; D354-N363 PolarHBondContact O-ND2 3.03Å; N359-N363 PolarHBondContact N-ND2 3.04Å; N359-N363 VanDerWaalsContact O-CB 3.31Å; N359-N363 WeakPolarHBondContact O-CB 3.21Å; N359-N363 PolarHBondContact O-N 3.29Å; N359-N363 VanDerWaalsContact O-N 3.07Å; N359-N363 PolarHBondContact O-ND2 3.11Å; N363-F366 PolarHBondContact O-N 3.35Å; N363-I367 WeakPolarHBondContact O-CB 3.31Å; N363-I367 WeakPolarHBondContact O-CG1 3.48Å; N363-I367 PolarHBondContact O-N 3.4Å
364L91.4Very high91Very high20 Ų2028.5 Ų28.511%0.10514%0.135CC..Hα-helixtrans-63.8-41.2172.7178.963.6000111.8F237 E267 L270 F289 P360 K361 L362 I367 A368F237-L364 HydrophobicContact CE1-CG 4.35Å; F237-L364 HydrophobicContact CZ-CD1 4.02Å; F237-L364 HydrophobicContact CZ-CD2 3.82Å; F237-L364 HydrophobicContact CZ-CG 3.81Å; E267-L364 HydrophobicContact CG-CD1 4.19Å; E267-L364 HydrophobicContact CG-CD2 3.79Å; L270-L364 HydrophobicContact CD1-CD1 3.85Å; F289-L364 HydrophobicContact CD2-CD1 3.85Å; F289-L364 HydrophobicContact CE2-CD1 4.04Å; P360-L364 WeakPolarHBondContact O-CB 3.49Å; P360-L364 PolarHBondContact O-N 3.31Å; P360-L364 VanDerWaalsContact O-N 3.09Å; K361-L364 PolarHBondContact O-N 2.96Å; L362-L364 PolarHBondContact O-N 3.09Å; L364-I367 PolarHBondContact O-N 3.03Å; L364-A368 WeakPolarHBondContact O-CB 3.42Å; L364-A368 PolarHBondContact O-N 2.92Å
365A91.9Very high91.2Very high0 Ų030 Ų300%015%0.145CC..Hα-helixtrans-65.5-41.7176.600000112.4W229 L236 F349 K361 L362 A368 N369W229-A365 HydrophobicContact CH2-CB 4.17Å; W229-A365 HydrophobicContact CZ3-CB 3.96Å; L236-A365 HydrophobicContact CD1-CB 3.74Å; F349-A365 HydrophobicContact CB-CB 3.87Å; F349-A365 HydrophobicContact CD1-CB 3.79Å; F349-A365 HydrophobicContact CD2-CB 3.97Å; F349-A365 HydrophobicContact CE1-CB 4.3Å; F349-A365 HydrophobicContact CE2-CB 4.46Å; F349-A365 HydrophobicContact CG-CB 3.6Å; K361-A365 PolarHBondContact O-N 3.2Å; L362-A365 PolarHBondContact O-N 3.19Å; A365-A368 PolarHBondContact O-N 3.01Å; A365-N369 WeakPolarHBondContact O-CB 3.44Å; A365-N369 PolarHBondContact O-N 3.07Å
366F95.2Very high91.1Very high0 Ų031.8 Ų31.80%016%0.159CC..Hα-helixtrans-58.9-46.1173.7173.5-107.8000111.8Y299 M337 L338 A341 C346 V350 L362 N363 N369 L370Y299-F366 HydrophobicContact CD1-CE1 4.07Å; Y299-F366 HydrophobicContact CE1-CD1 4.08Å; Y299-F366 HydrophobicContact CE1-CE1 4.09Å; Y299-F366 HydrophobicContact CE2-CD1 4.49Å; Y299-F366 HydrophobicContact CG-CE1 4.33Å; M337-F366 HydrophobicContact SD-CE1 4.37Å; M337-F366 HydrophobicContact SD-CZ 4.1Å; L338-F366 HydrophobicContact CD2-CE2 4.16Å; L338-F366 HydrophobicContact CD2-CZ 4.35Å; A341-F366 HydrophobicContact CB-CE2 3.8Å; A341-F366 HydrophobicContact CB-CZ 3.8Å; C346-F366 WeakPolarHBondContact O-CD2 3.38Å; C346-F366 VanDerWaalsContact O-CE2 3.23Å; C346-F366 WeakPolarHBondContact O-CE2 3.45Å; V350-F366 HydrophobicContact CG1-CB 3.92Å; V350-F366 HydrophobicContact CG2-CB 3.77Å; V350-F366 HydrophobicContact CG2-CD1 4.29Å; V350-F366 HydrophobicContact CG2-CD2 3.52Å; V350-F366 HydrophobicContact CG2-CE2 4.16Å; V350-F366 HydrophobicContact CG2-CG 3.59Å; L362-F366 WeakPolarHBondContact O-CB 3.19Å; L362-F366 PolarHBondContact O-N 3.48Å; N363-F366 PolarHBondContact O-N 3.35Å; F366-N369 WeakPolarHBondContact O-CB 3.33Å; F366-N369 PolarHBondContact O-N 3.5Å; F366-L370 PolarHBondContact O-N 3.24Å
367I95.6Very high91Very high0 Ų031.3 Ų31.30%016%0.156CC..Hα-helixtrans-66.4-41.1178.2-75.7-59.2000112.4L270 W273 F289 Y299 L302 N363 L364 N369 L370 F371L270-I367 HydrophobicContact CB-CG2 4.27Å; L270-I367 HydrophobicContact CD1-CG2 4.33Å; L270-I367 HydrophobicContact CD2-CG2 4.08Å; L270-I367 HydrophobicContact CG-CG2 4.46Å; W273-I367 HydrophobicContact CE3-CG2 4.35Å; W273-I367 HydrophobicContact CZ3-CG2 4Å; F289-I367 HydrophobicContact CD1-CG1 3.92Å; F289-I367 HydrophobicContact CE1-CB 4.35Å; F289-I367 HydrophobicContact CE1-CD1 4.49Å; F289-I367 HydrophobicContact CE1-CG1 3.88Å; F289-I367 HydrophobicContact CE1-CG2 3.87Å; F289-I367 HydrophobicContact CE2-CG2 4.29Å; F289-I367 HydrophobicContact CZ-CG2 3.71Å; Y299-I367 HydrophobicContact CD1-CD1 3.91Å; Y299-I367 HydrophobicContact CE1-CD1 3.34Å; Y299-I367 HydrophobicContact CE1-CG1 3.69Å; L302-I367 HydrophobicContact CD2-CD1 3.44Å; L302-I367 VanDerWaalsContact CD2-CD1 3.44Å; N363-I367 WeakPolarHBondContact O-CB 3.31Å; N363-I367 WeakPolarHBondContact O-CG1 3.48Å; N363-I367 PolarHBondContact O-N 3.4Å; L364-I367 PolarHBondContact O-N 3.03Å; I367-N369 VanDerWaalsContact C-N 3.34Å; I367-L370 HydrophobicContact CD1-CD2 4.46Å; I367-L370 PolarHBondContact O-N 2.85Å; I367-F371 PolarHBondContact O-N 3.16Å
368A95.1Very high90.8Very high0 Ų032.1 Ų32.10%017%0.165CC..Hα-helixtrans-62.6-42.4175.100000111.8L236 F237 I240 L270 L364 A365 L370 F371 N372L236-A368 HydrophobicContact CB-CB 4.04Å; L236-A368 HydrophobicContact CD1-CB 4.43Å; F237-A368 HydrophobicContact CD1-CB 4.07Å; F237-A368 HydrophobicContact CE1-CB 3.74Å; I240-A368 HydrophobicContact CD1-CB 4.04Å; L270-A368 HydrophobicContact CD1-CB 3.75Å; L364-A368 WeakPolarHBondContact O-CB 3.42Å; L364-A368 PolarHBondContact O-N 2.92Å; A365-A368 PolarHBondContact O-N 3.01Å; A368-L370 VanDerWaalsContact C-N 3.31Å; A368-L370 PolarHBondContact O-N 3.13Å; A368-F371 PolarHBondContact O-N 2.88Å; A368-N372 WeakPolarHBondContact O-CB 3.3Å; A368-N372 VanDerWaalsContact O-CG 3.24Å; A368-N372 PolarHBondContact O-N 3.48Å; A368-N372 PolarHBondContact O-ND2 3Å
369N94.2Very high90.3Very high28 Ų2836.6 Ų36.615%0.1518%0.182CC..Hα-helixtrans-61.9-38.7174.6-174.253000112.2L236 C346 Q348 F349 A365 F366 I367 R373L236-N369 HydrophobicContact CD2-CB 4.47Å; C346-N369 WeakPolarHBondContact CA-ND2 3.28Å; C346-N369 PolarHBondContact O-ND2 2.81Å; Q348-N369 PolarHBondContact OE1-ND2 2.82Å; F349-N369 HydrophobicContact CD2-CB 4.21Å; F349-N369 HydrophobicContact CE2-CB 4.03Å; A365-N369 WeakPolarHBondContact O-CB 3.44Å; A365-N369 PolarHBondContact O-N 3.07Å; F366-N369 WeakPolarHBondContact O-CB 3.33Å; F366-N369 PolarHBondContact O-N 3.5Å; I367-N369 VanDerWaalsContact C-N 3.34Å; N369-R373 PolarHBondContact O-N 3.07Å
370L94.9Very high89.8Confident1 Ų136.9 Ų36.91%0.00519%0.186CC..Hα-helixtrans-66-47.2174.9-173.963.2000111.5W273 L302 L303 V306 L344 C346 F366 I367 A368 R373 Y374W273-L370 HydrophobicContact CH2-CB 4.4Å; W273-L370 HydrophobicContact CH2-CD2 4.06Å; W273-L370 HydrophobicContact CH2-CG 4.04Å; L302-L370 HydrophobicContact CD2-CD2 4.06Å; L302-L370 HydrophobicContact CG-CD2 4.14Å; L303-L370 HydrophobicContact CD2-CD1 3.93Å; L303-L370 HydrophobicContact CD2-CD2 3.91Å; V306-L370 HydrophobicContact CG2-CD1 3.87Å; V306-L370 HydrophobicContact CG2-CD2 4.09Å; V306-L370 HydrophobicContact CG2-CG 4.05Å; L344-L370 HydrophobicContact CD1-CD1 4.21Å; C346-L370 HydrophobicContact CB-CD1 4.03Å; F366-L370 PolarHBondContact O-N 3.24Å; I367-L370 HydrophobicContact CD1-CD2 4.46Å; I367-L370 PolarHBondContact O-N 2.85Å; A368-L370 VanDerWaalsContact C-N 3.31Å; A368-L370 PolarHBondContact O-N 3.13Å; L370-R373 PolarHBondContact O-N 3.44Å; L370-Y374 HydrophobicContact CD1-CD2 4.27Å; L370-Y374 PolarHBondContact O-N 3.31Å
371F95.3Very high89Confident1 Ų142.1 Ų42.10%0.00420%0.204CC..Hα-helixtrans-58.6-49.7176.7172.7-91.3000111.8I240 N245 L248 L270 W273 I367 A368 R373 Y374 P375I240-F371 HydrophobicContact CB-CE1 4.34Å; I240-F371 HydrophobicContact CD1-CD1 4.1Å; I240-F371 HydrophobicContact CG1-CD1 3.71Å; I240-F371 HydrophobicContact CG1-CE1 3.82Å; I240-F371 HydrophobicContact CG2-CE1 4.37Å; N245-F371 WeakPolarHBondContact ND2-CZ 3.22Å; L248-F371 HydrophobicContact CD1-CZ 4.29Å; L248-F371 HydrophobicContact CD2-CE2 3.64Å; L248-F371 HydrophobicContact CD2-CZ 3.52Å; L248-F371 HydrophobicContact CG-CZ 4.01Å; L270-F371 HydrophobicContact CD2-CB 3.59Å; L270-F371 HydrophobicContact CD2-CD1 4.35Å; L270-F371 HydrophobicContact CD2-CD2 4.27Å; L270-F371 HydrophobicContact CD2-CG 3.81Å; W273-F371 HydrophobicContact CB-CD2 4.45Å; W273-F371 AromaticContact CD1-CD2 3.66Å; W273-F371 AromaticContact CD1-CE2 3.81Å; W273-F371 HydrophobicContact CD2-CB 4.4Å; W273-F371 AromaticContact CD2-CD2 3.65Å; W273-F371 HydrophobicContact CD2-CD2 3.65Å; W273-F371 HydrophobicContact CD2-CE2 4.5Å; W273-F371 HydrophobicContact CD2-CG 4.49Å; W273-F371 AromaticContact CE2-CD2 3.61Å; W273-F371 HydrophobicContact CE3-CB 4.31Å; W273-F371 HydrophobicContact CE3-CD2 4.32Å; W273-F371 AromaticContact CG-CD2 3.68Å; W273-F371 HydrophobicContact CG-CD2 3.68Å; W273-F371 HydrophobicContact CG-CE2 4.08Å; W273-F371 HydrophobicContact CH2-CB 4.14Å; W273-F371 HydrophobicContact CZ2-CB 4.21Å; W273-F371 HydrophobicContact CZ2-CD2 4.22Å; W273-F371 HydrophobicContact CZ3-CB 4.2Å; W273-F371 AromaticContact NE1-CD2 3.57Å; I367-F371 PolarHBondContact O-N 3.16Å; A368-F371 PolarHBondContact O-N 2.88Å; F371-R373 PolarHBondContact O-N 2.76Å; F371-R373 VanDerWaalsContact O-N 3.14Å; F371-Y374 CarbonylContact O-C 3.4Å; F371-Y374 PolarHBondContact O-N 3.13Å; F371-P375 HydrophobicContact CD2-CB 4.41Å; F371-P375 HydrophobicContact CE2-CB 4.07Å; F371-P375 HydrophobicContact CZ-CB 4.39Å; F371-P375 WeakPolarHBondContact O-CD 3.29Å; F371-P375 WeakPolarHBondContact O-CG 3.39Å
372N92.5Very high87.9Confident57 Ų5745.3 Ų45.331%0.30522%0.223SC..Hα-helixtrans-61-27.7-177.4-70.9-17.1000112.6L236 A368L236-N372 PolarHBondContact O-ND2 3.26Å; A368-N372 WeakPolarHBondContact O-CB 3.3Å; A368-N372 VanDerWaalsContact O-CG 3.24Å; A368-N372 PolarHBondContact O-N 3.48Å; A368-N372 PolarHBondContact O-ND2 3Å
373R90.9Very high86.3Confident133 Ų13354.2 Ų54.250%0.50226%0.264SS..Hα-helixtrans-92.2-38.8179.6-162.5170.3-177.6154.41.4113.3L344 G345 C346 N369 L370 F371L344-R373 VanDerWaalsContact O-CZ 3.32Å; L344-R373 PolarHBondContact O-NE 3.23Å; G345-R373 PolarHBondContact O-NH1 3.5Å; C346-R373 VanDerWaalsContact SG-CD 3.56Å; N369-R373 PolarHBondContact O-N 3.07Å; L370-R373 PolarHBondContact O-N 3.44Å; F371-R373 PolarHBondContact O-N 2.76Å; F371-R373 VanDerWaalsContact O-N 3.14Å
374Y92.1Very high84.9Confident42 Ų4261.9 Ų61.917%0.16531%0.305CS..  trans-137.878.1-178.4-53.7-76.5000110.4V306 P308 L344 L370 F371 A376V306-Y374 WeakPolarHBondContact O-CB 3.37Å; P308-Y374 HydrophobicContact CG-CE1 4.17Å; L344-Y374 HydrophobicContact CB-CD2 4.44Å; L344-Y374 HydrophobicContact CB-CE2 3.73Å; L344-Y374 HydrophobicContact CD2-CE2 4.15Å; L344-Y374 HydrophobicContact CG-CE2 4.39Å; L344-Y374 VanDerWaalsContact O-CE2 3.28Å; L344-Y374 WeakPolarHBondContact O-CE2 3.49Å; L344-Y374 PolarHBondContact O-OH 2.88Å; L370-Y374 HydrophobicContact CD1-CD2 4.27Å; L370-Y374 PolarHBondContact O-N 3.31Å; F371-Y374 CarbonylContact O-C 3.4Å; F371-Y374 PolarHBondContact O-N 3.13Å; Y374-A376 PolarHBondContact O-N 2.71Å
375P91.9Very high83.7Confident34 Ų3462.3 Ų62.322%0.22131%0.307CS..  trans-60.8-36.1174.3-20.430000111.6W273 H277 F371 L377W273-P375 PolarHBondContact NE1-O 3.15Å; H277-P375 PolarHBondContact NE2-O 3.33Å; H277-P375 VanDerWaalsContact NE2-O 3.09Å; F371-P375 HydrophobicContact CD2-CB 4.41Å; F371-P375 HydrophobicContact CE2-CB 4.07Å; F371-P375 HydrophobicContact CZ-CB 4.39Å; F371-P375 WeakPolarHBondContact O-CD 3.29Å; F371-P375 WeakPolarHBondContact O-CG 3.39Å; P375-L377 PolarHBondContact O-N 2.94Å
376A91.6Very high82.5Confident38 Ų3867.7 Ų67.731%0.31434%0.336SS..  trans50.736.4-17700000113H277 V306 Y374H277-A376 PolarHBondContact CE1-O 3.46Å; H277-A376 VanDerWaalsContact CE1-O 3.22Å; V306-A376 HydrophobicContact CB-CB 4.14Å; V306-A376 HydrophobicContact CG1-CB 4.26Å; Y374-A376 PolarHBondContact O-N 2.71Å
377L89.5Confident81.1Confident17 Ų1771.8 Ų71.89%0.08935%0.352CS..  trans-110.6138.4175.3-64.1179.4000109A247 L248 A250 L251 Y276 P375A247-L377 HydrophobicContact CB-CB 3.74Å; A247-L377 WeakPolarHBondContact O-CD1 3.48Å; L248-L377 HydrophobicContact CD2-CD1 4.11Å; A250-L377 HydrophobicContact CB-CB 4.44Å; A250-L377 HydrophobicContact CB-CD2 4.3Å; L251-L377 HydrophobicContact CD1-CD1 4.35Å; L251-L377 HydrophobicContact CD2-CD1 4.14Å; L251-L377 HydrophobicContact CD2-CD2 4Å; L251-L377 HydrophobicContact CG-CD1 4.06Å; Y276-L377 HydrophobicContact CD1-CD2 3.71Å; Y276-L377 HydrophobicContact CE1-CD2 3.56Å; P375-L377 PolarHBondContact O-N 2.94Å
378H82.1Confident79.4Confident145 Ų14574.3 Ų74.367%0.67138%0.377SS*.  trans-104.2135172-61.3-66.5000109.4P380H378-P380 WeakPolarHBondContact O-CD 3.49Å
379K75.2Confident77.8Confident101 Ų10176.6 Ų76.644%0.43940%0.396SS..  trans-58.6123.8174.7-176.1175.7-177.6167.40108.6E246 E381 W387E246-K379 WeakPolarHBondContact OE2-CE 3.42Å; E246-K379 IonicContact OE2-NZ 3.96Å; E246-K379 PolarHBondContact OE2-NZ 3.39Å; K379-E381 PolarHBondContact O-N 3.22Å; K379-W387 HydrophobicContact CD-CH2 4.24Å; K379-W387 VanDerWaalsContact CE-CZ2 3.49Å; K379-W387 HydrophobicContact CG-CH2 4.26Å
380P74.5Confident76.3Confident36 Ų3676.2 Ų76.223%0.23439%0.394CS..  trans-64.4136176.223.4-29.9000110I249 H378 N382 I385I249-P380 HydrophobicContact CB-CG 4.38Å; I249-P380 HydrophobicContact CG2-CG 3.95Å; H378-P380 WeakPolarHBondContact O-CD 3.49Å; P380-N382 PolarHBondContact O-N 2.91Å; P380-I385 HydrophobicContact CG-CD1 4.07Å
381E67.6Low75Confident192 Ų19282.5 Ų82.590%0.89742%0.423SS*.  trans-72.16.7179.5-63.5-175.4170.300113.7K379 Q383K379-E381 PolarHBondContact O-N 3.22Å; E381-Q383 PolarHBondContact O-N 3.29Å
382N61.5Low73.8Confident107 Ų10784 Ų8457%0.57244%0.439SS*.  trans-62128.3-171.3-90.1-8.6000113P380 D384 I385P380-N382 PolarHBondContact O-N 2.91Å; N382-D384 VanDerWaalsContact C-N 3.34Å; N382-I385 HydrophobicContact CB-CD1 3.99Å; N382-I385 HydrophobicContact CB-CG1 4.3Å
383Q56Low73.3Confident187 Ų18784.2 Ų84.287%0.87444%0.438SS*.THydrogen-bonded Turntrans-79.3-11.9-179.7-66.8178.56.400113.9E381E381-Q383 PolarHBondContact O-N 3.29Å
384D63.2Low73.2Confident160 Ų16080.5 Ų80.586%0.85643%0.431SS*.THydrogen-bonded Turntrans-96.96.5-174.4-64.1-35.8000114.4N382N382-D384 VanDerWaalsContact C-N 3.34Å
385I67Low72.9Confident30 Ų3082.7 Ų82.715%0.15444%0.439CS..  trans-81.4121.4175.6-62.6162000108.5I249 P380 N382 W387I249-I385 HydrophobicContact CG2-CD1 3.81Å; P380-I385 HydrophobicContact CG-CD1 4.07Å; N382-I385 HydrophobicContact CB-CD1 3.99Å; N382-I385 HydrophobicContact CB-CG1 4.3Å; I385-W387 VanDerWaalsContact C-N 3.34Å; I385-W387 HydrophobicContact CB-CH2 4.43Å; I385-W387 HydrophobicContact CB-CZ2 3.82Å; I385-W387 HydrophobicContact CD1-CH2 4.02Å; I385-W387 HydrophobicContact CD1-CZ2 3.78Å; I385-W387 HydrophobicContact CG1-CZ2 4.41Å; I385-W387 HydrophobicContact CG2-CD2 4.14Å; I385-W387 HydrophobicContact CG2-CE3 4.45Å; I385-W387 HydrophobicContact CG2-CH2 4.08Å; I385-W387 HydrophobicContact CG2-CZ2 3.89Å; I385-W387 HydrophobicContact CG2-CZ3 4.41Å; I385-W387 PolarHBondContact O-N 3.37Å; I385-W387 PolarHBondContact O-NE1 3.48Å
386D66.7Low72.8Confident113 Ų11383.3 Ų83.360%0.60444%0.439SS*.  trans-72.889.2171.5-176.38.4000110.2G388 A389D386-G388 PolarHBondContact O-N 3.47Å; D386-G388 PolarHBondContact OD1-N 3.25Å; D386-A389 HydrophobicContact CB-CB 4.43Å; D386-A389 WeakPolarHBondContact O-CB 3.48Å; D386-A389 PolarHBondContact O-N 2.87Å
387W66.6Low72.8Confident86 Ų8682 Ų8233%0.32643%0.426SS..G310 helixtrans-61.4-20.6176.7-58.797.3000112.7E246 I249 K379 I385 A389 L390E246-W387 HydrophobicContact CB-CZ3 4.47Å; I249-W387 HydrophobicContact CD1-CE3 4.36Å; I249-W387 HydrophobicContact CD1-CH2 3.56Å; I249-W387 HydrophobicContact CD1-CZ3 3.32Å; K379-W387 HydrophobicContact CD-CH2 4.24Å; K379-W387 VanDerWaalsContact CE-CZ2 3.49Å; K379-W387 HydrophobicContact CG-CH2 4.26Å; I385-W387 VanDerWaalsContact C-N 3.34Å; I385-W387 HydrophobicContact CB-CH2 4.43Å; I385-W387 HydrophobicContact CB-CZ2 3.82Å; I385-W387 HydrophobicContact CD1-CH2 4.02Å; I385-W387 HydrophobicContact CD1-CZ2 3.78Å; I385-W387 HydrophobicContact CG1-CZ2 4.41Å; I385-W387 HydrophobicContact CG2-CD2 4.14Å; I385-W387 HydrophobicContact CG2-CE3 4.45Å; I385-W387 HydrophobicContact CG2-CH2 4.08Å; I385-W387 HydrophobicContact CG2-CZ2 3.89Å; I385-W387 HydrophobicContact CG2-CZ3 4.41Å; I385-W387 PolarHBondContact O-N 3.37Å; I385-W387 PolarHBondContact O-NE1 3.48Å; W387-A389 PolarHBondContact O-N 2.97Å; W387-L390 HydrophobicContact CD2-CD1 4.31Å; W387-L390 HydrophobicContact CE3-CD1 3.3Å; W387-L390 HydrophobicContact CZ3-CD1 3.67Å; W387-L390 WeakPolarHBondContact O-CB 3.36Å; W387-L390 PolarHBondContact O-N 3.01Å
388G59.4Low72.8Confident52 Ų5285 Ų8554%0.53644%0.436SS..G310 helixtrans-68.1-21.6174.100000113.3D386 L390D386-G388 PolarHBondContact O-N 3.47Å; D386-G388 PolarHBondContact OD1-N 3.25Å; G388-L390 VanDerWaalsContact C-N 3.28Å; G388-L390 PolarHBondContact O-N 3.43Å
389A60.8Low73.3Confident48 Ų4878.3 Ų78.340%0.39741%0.405SS..G310 helixtrans-78.1-8.617600000113.8L258 D386 W387 E391L258-A389 HydrophobicContact CD2-CB 4.23Å; D386-A389 HydrophobicContact CB-CB 4.43Å; D386-A389 WeakPolarHBondContact O-CB 3.48Å; D386-A389 PolarHBondContact O-N 2.87Å; W387-A389 PolarHBondContact O-N 2.97Å; A389-E391 PolarHBondContact O-N 3.08Å
390L63.3Low74.2Confident20 Ų2073.5 Ų73.511%0.10538%0.384CS..G310 helixtrans-84.313.8177.9-68.7166.1000113.6L242 I249 L258 W387 G388 G392L242-L390 HydrophobicContact CB-CD2 4.13Å; L242-L390 HydrophobicContact CD2-CD2 4.38Å; I249-L390 HydrophobicContact CD1-CD1 4.02Å; I249-L390 HydrophobicContact CD1-CD2 4.41Å; L258-L390 HydrophobicContact CD1-CD2 4.23Å; L258-L390 HydrophobicContact CD2-CD2 3.8Å; L258-L390 HydrophobicContact CD2-CG 3.96Å; L258-L390 HydrophobicContact CG-CD2 4.38Å; W387-L390 HydrophobicContact CD2-CD1 4.31Å; W387-L390 HydrophobicContact CE3-CD1 3.3Å; W387-L390 HydrophobicContact CZ3-CD1 3.67Å; W387-L390 WeakPolarHBondContact O-CB 3.36Å; W387-L390 PolarHBondContact O-N 3.01Å; G388-L390 VanDerWaalsContact C-N 3.28Å; G388-L390 PolarHBondContact O-N 3.43Å; L390-G392 PolarHBondContact O-N 2.68Å
391E67Low75.2Confident133 Ų13373.9 Ų73.962%0.62138%0.381SS*.  trans-51.4111.8171.9-81.8-171.9170.400109.6A389 R488A389-E391 PolarHBondContact O-N 3.08Å; E391-R488 IonicContact OE2-NH1 2.8Å; E391-R488 PolarHBondContact OE2-NH1 2.85Å
392G69.6Low76.5Confident33 Ų3365.7 Ų65.734%0.3434%0.343SS..PPolyproline II helixtrans-64.3171.6178.700000112.2L390 T394L390-G392 PolarHBondContact O-N 2.68Å; G392-T394 PolarHBondContact O-N 3.26Å
393E82.8Confident78.1Confident61 Ų6160.7 Ų60.729%0.28532%0.316SS..PPolyproline II helixtrans-56.2127.2176.5-171.5-177.5-137.700111.1E397 R398 R401E393-E397 WeakPolarHBondContact CA-OE2 3.28Å; E393-E397 HydrophobicContact CG-CB 3.46Å; E393-E397 VanDerWaalsContact CG-CB 3.46Å; E393-R398 HydrophobicContact CG-CB 4.13Å; E393-R398 WeakPolarHBondContact OE1-CA 3.34Å; E393-R398 PolarHBondContact OE1-N 2.82Å; E393-R398 VanDerWaalsContact OE2-CA 3.29Å; E393-R398 WeakPolarHBondContact OE2-CA 3.01Å; E393-R398 WeakPolarHBondContact OE2-CB 3.38Å; E393-R398 WeakPolarHBondContact OE2-CG 3.46Å; E393-R401 WeakPolarHBondContact OE1-CD 3.49Å; E393-R401 IonicContact OE1-CZ 2.8Å; E393-R401 IonicContact OE1-NE 2.98Å; E393-R401 PolarHBondContact OE1-NE 3.33Å; E393-R401 IonicContact OE1-NH2 2.7Å; E393-R401 IonicContact OE2-CZ 3.84Å; E393-R401 IonicContact OE2-NE 2.94Å; E393-R401 PolarHBondContact OE2-NE 3.01Å; E393-R401 IonicContact OE2-NH2 3.72Å; E393-R401 PolarHBondContact OE2-NH2 3.03Å
394T88.2Confident79.9Confident56 Ų5651.8 Ų51.834%0.34428%0.275SS..PPolyproline II helixtrans-70.2161.7174.871.10000110.9G392 E396 E397 R398G392-T394 PolarHBondContact O-N 3.26Å; T394-E396 VanDerWaalsContact C-N 3.28Å; T394-E396 PolarHBondContact O-N 3Å; T394-E397 PolarHBondContact N-OE2 3.48Å; T394-E397 PolarHBondContact O-N 3.16Å; T394-E397 VanDerWaalsContact OG1-CG 3.24Å; T394-E397 WeakPolarHBondContact OG1-CG 3.48Å; T394-E397 PolarHBondContact OG1-N 3.32Å; T394-E397 PolarHBondContact OG1-OE2 3.26Å; T394-R398 PolarHBondContact O-N 2.84Å
395R86.6Confident81.3Confident88 Ų8844.3 Ų44.333%0.33224%0.235SC..Hα-helixtrans-58.7-37.9177.2-67.2-176.8-58.2-171.94.4113.4T399 L600 E606R395-T399 PolarHBondContact O-N 3.22Å; R395-T399 PolarHBondContact O-OG1 3.42Å; R395-L600 HydrophobicContact CB-CD1 3.96Å; R395-L600 HydrophobicContact CG-CD1 4.07Å; R395-E606 IonicContact CZ-OE1 3.58Å; R395-E606 VanDerWaalsContact CZ-OE1 3.27Å; R395-E606 IonicContact CZ-OE2 3.07Å; R395-E606 IonicContact NH1-OE1 2.81Å; R395-E606 PolarHBondContact NH1-OE1 2.83Å; R395-E606 IonicContact NH1-OE2 2.89Å; R395-E606 IonicContact NH2-OE1 3.65Å; R395-E606 PolarHBondContact NH2-OE1 3.35Å; R395-E606 IonicContact NH2-OE2 2.79Å; R395-E606 PolarHBondContact NH2-OE2 2.89Å
396E88.8Confident82.4Confident47 Ų4742.9 Ų42.922%0.2223%0.228CC..Hα-helixtrans-67.7-46177.9-172176.5-140.900110.6T394 R398 T399 F400 K610T394-E396 VanDerWaalsContact C-N 3.28Å; T394-E396 PolarHBondContact O-N 3Å; E396-R398 PolarHBondContact O-N 3.08Å; E396-T399 PolarHBondContact O-N 2.87Å; E396-F400 HydrophobicContact CG-CD2 4.12Å; E396-F400 HydrophobicContact CG-CE1 4.42Å; E396-F400 HydrophobicContact CG-CE2 3.53Å; E396-F400 HydrophobicContact CG-CZ 3.69Å; E396-F400 WeakPolarHBondContact O-CG 3.23Å; E396-F400 PolarHBondContact O-N 2.8Å; E396-K610 IonicContact OE1-NZ 3.33Å; E396-K610 PolarHBondContact OE1-NZ 2.89Å
397E91.5Very high83.4Confident9 Ų937.9 Ų37.94%0.04220%0.201CC..Hα-helixtrans-57-48.6175.5-71.7160.6-169.300111.3E393 T394 T399 F400 R401 L416 Y417 R488 L492E393-E397 WeakPolarHBondContact CA-OE2 3.28Å; E393-E397 HydrophobicContact CG-CB 3.46Å; E393-E397 VanDerWaalsContact CG-CB 3.46Å; T394-E397 PolarHBondContact N-OE2 3.48Å; T394-E397 PolarHBondContact O-N 3.16Å; T394-E397 VanDerWaalsContact OG1-CG 3.24Å; T394-E397 WeakPolarHBondContact OG1-CG 3.48Å; T394-E397 PolarHBondContact OG1-N 3.32Å; T394-E397 PolarHBondContact OG1-OE2 3.26Å; E397-T399 VanDerWaalsContact C-N 3.33Å; E397-T399 PolarHBondContact O-N 3.2Å; E397-F400 PolarHBondContact O-N 3.35Å; E397-R401 WeakPolarHBondContact O-CB 3.37Å; E397-R401 PolarHBondContact O-N 3.39Å; E397-L416 HydrophobicContact CB-CD2 4.26Å; E397-L416 HydrophobicContact CG-CD2 4.04Å; E397-Y417 HydrophobicContact CG-CE2 4.38Å; E397-Y417 WeakPolarHBondContact CG-OH 3.49Å; E397-Y417 PolarHBondContact OE1-OH 2.88Å; E397-R488 IonicContact OE1-CZ 2.78Å; E397-R488 IonicContact OE1-NE 3.98Å; E397-R488 PolarHBondContact OE1-NE 3.38Å; E397-R488 IonicContact OE1-NH2 2.72Å; E397-R488 PolarHBondContact OE1-NH2 3.04Å; E397-R488 IonicContact OE2-NH2 2.93Å; E397-L492 HydrophobicContact CG-CD1 4.37Å; E397-L492 HydrophobicContact CG-CD2 3.93Å
398R90Very high84.3Confident82 Ų8235.2 Ų35.231%0.30920%0.2SC..Hα-helixtrans-58.3-44.2177.8-173.617070.3-170.93.7112.7E393 T394 E396 R401 N402 L600E393-R398 HydrophobicContact CG-CB 4.13Å; E393-R398 WeakPolarHBondContact OE1-CA 3.34Å; E393-R398 PolarHBondContact OE1-N 2.82Å; E393-R398 VanDerWaalsContact OE2-CA 3.29Å; E393-R398 WeakPolarHBondContact OE2-CA 3.01Å; E393-R398 WeakPolarHBondContact OE2-CB 3.38Å; E393-R398 WeakPolarHBondContact OE2-CG 3.46Å; T394-R398 PolarHBondContact O-N 2.84Å; E396-R398 PolarHBondContact O-N 3.08Å; R398-R401 PolarHBondContact O-N 3.21Å; R398-N402 WeakPolarHBondContact O-CB 3.28Å; R398-N402 VanDerWaalsContact O-CG 3.25Å; R398-N402 PolarHBondContact O-N 3.33Å; R398-L600 VanDerWaalsContact NH2-CD1 3.26Å
399T92.5Very high85.6Confident4 Ų433.3 Ų33.33%0.02518%0.178CC..Hα-helixtrans-62.6-47178.8-57.80000110.6R395 E396 E397 N402 W403 M611R395-T399 PolarHBondContact O-N 3.22Å; R395-T399 PolarHBondContact O-OG1 3.42Å; E396-T399 PolarHBondContact O-N 2.87Å; E397-T399 VanDerWaalsContact C-N 3.33Å; E397-T399 PolarHBondContact O-N 3.2Å; T399-N402 PolarHBondContact O-N 3.21Å; T399-W403 VanDerWaalsContact O-CB 3.32Å; T399-W403 WeakPolarHBondContact O-CB 3.3Å; T399-W403 PolarHBondContact O-N 3.33Å; T399-M611 HydrophobicContact CG2-CE 3.14Å; T399-M611 HydrophobicContact CG2-SD 4.24Å
400F95.5Very high86.7Confident0 Ų037 Ų370%019%0.191CC..Hα-helixtrans-64.6-42.1178.7-71.1-16000112.5E396 E397 W403 M404 L492 I495 W496 M499E396-F400 HydrophobicContact CG-CD2 4.12Å; E396-F400 HydrophobicContact CG-CE1 4.42Å; E396-F400 HydrophobicContact CG-CE2 3.53Å; E396-F400 HydrophobicContact CG-CZ 3.69Å; E396-F400 WeakPolarHBondContact O-CG 3.23Å; E396-F400 PolarHBondContact O-N 2.8Å; E397-F400 PolarHBondContact O-N 3.35Å; F400-W403 PolarHBondContact O-N 2.98Å; F400-M404 VanDerWaalsContact O-CG 3.29Å; F400-M404 WeakPolarHBondContact O-CG 3.4Å; F400-M404 PolarHBondContact O-N 3.39Å; F400-L492 HydrophobicContact CD2-CD2 3.53Å; F400-L492 HydrophobicContact CE2-CB 4.38Å; F400-L492 HydrophobicContact CE2-CD2 3.79Å; F400-I495 HydrophobicContact CB-CG2 3.74Å; F400-I495 HydrophobicContact CD1-CG2 4.13Å; F400-I495 HydrophobicContact CD2-CB 4.04Å; F400-I495 HydrophobicContact CD2-CD1 4.5Å; F400-I495 HydrophobicContact CD2-CG2 3.76Å; F400-I495 HydrophobicContact CE2-CB 4.43Å; F400-I495 HydrophobicContact CE2-CG2 4.41Å; F400-I495 HydrophobicContact CG-CB 4.4Å; F400-I495 HydrophobicContact CG-CG2 3.61Å; F400-W496 HydrophobicContact CE1-CE3 4.24Å; F400-W496 HydrophobicContact CE2-CB 4.35Å; F400-W496 HydrophobicContact CZ-CB 3.84Å; F400-W496 HydrophobicContact CZ-CE3 4.22Å; F400-M499 HydrophobicContact CD1-SD 3.77Å; F400-M499 HydrophobicContact CE1-SD 3.72Å
401R94.8Very high87.7Confident44 Ų4439.2 Ų39.217%0.16621%0.207CC..Hα-helixtrans-58.7-49.9174.1-179.9175.859.287.3-2.5111.6E393 E397 R398 W403 M404 N405 V413 N414E393-R401 WeakPolarHBondContact OE1-CD 3.49Å; E393-R401 IonicContact OE1-CZ 2.8Å; E393-R401 IonicContact OE1-NE 2.98Å; E393-R401 PolarHBondContact OE1-NE 3.33Å; E393-R401 IonicContact OE1-NH2 2.7Å; E393-R401 IonicContact OE2-CZ 3.84Å; E393-R401 IonicContact OE2-NE 2.94Å; E393-R401 PolarHBondContact OE2-NE 3.01Å; E393-R401 IonicContact OE2-NH2 3.72Å; E393-R401 PolarHBondContact OE2-NH2 3.03Å; E397-R401 WeakPolarHBondContact O-CB 3.37Å; E397-R401 PolarHBondContact O-N 3.39Å; R398-R401 PolarHBondContact O-N 3.21Å; R401-W403 PolarHBondContact O-N 2.93Å; R401-M404 PolarHBondContact O-N 2.95Å; R401-N405 WeakPolarHBondContact O-CB 3.29Å; R401-N405 PolarHBondContact O-N 3.41Å; R401-N405 PolarHBondContact O-ND2 2.95Å; R401-V413 WeakPolarHBondContact CD-O 3.42Å; R401-V413 HydrophobicContact CG-CB 4.27Å; R401-V413 HydrophobicContact CG-CG1 4.05Å; R401-V413 VanDerWaalsContact CG-O 3.31Å; R401-V413 WeakPolarHBondContact CG-O 3.48Å; R401-N414 WeakPolarHBondContact CD-O 3.37Å
402N94Very high88.7Confident19 Ų1936.7 Ų36.710%0.10219%0.192CC..Hα-helixtrans-63.1-41.8178.8-71.8-6.7000111.9A203 I204 G205 R398 T399 N405 S406A203-N402 VanDerWaalsContact O-CB 3.28Å; A203-N402 WeakPolarHBondContact O-CB 3.34Å; A203-N402 PolarHBondContact O-ND2 3.15Å; I204-N402 PolarHBondContact O-OD1 3.29Å; G205-N402 WeakPolarHBondContact CA-O 3.37Å; R398-N402 WeakPolarHBondContact O-CB 3.28Å; R398-N402 VanDerWaalsContact O-CG 3.25Å; R398-N402 PolarHBondContact O-N 3.33Å; T399-N402 PolarHBondContact O-N 3.21Å; N402-N405 PolarHBondContact O-N 2.94Å; N402-S406 WeakPolarHBondContact O-CB 3.4Å; N402-S406 PolarHBondContact O-N 3.35Å
403W95.1Very high89.7Confident2 Ų235.1 Ų35.11%0.00818%0.175CC..Hα-helixtrans-57.8-52.8174.4168.565.5000111.3T399 F400 R401 N405 S406 L407 L429 I495 L498 M499 Y502 Y598T399-W403 VanDerWaalsContact O-CB 3.32Å; T399-W403 WeakPolarHBondContact O-CB 3.3Å; T399-W403 PolarHBondContact O-N 3.33Å; F400-W403 PolarHBondContact O-N 2.98Å; R401-W403 PolarHBondContact O-N 2.93Å; W403-N405 PolarHBondContact O-N 3.24Å; W403-S406 PolarHBondContact O-N 3.39Å; W403-S406 PolarHBondContact O-OG 2.71Å; W403-L407 HydrophobicContact CD2-CD1 4.48Å; W403-L407 HydrophobicContact CH2-CD1 4.47Å; W403-L407 HydrophobicContact CZ2-CD1 3.71Å; W403-L407 WeakPolarHBondContact O-CG 3.4Å; W403-L407 PolarHBondContact O-N 2.68Å; W403-L429 HydrophobicContact CH2-CD1 4.45Å; W403-L429 HydrophobicContact CH2-CD2 4.15Å; W403-L429 HydrophobicContact CZ3-CD1 4.26Å; W403-L429 HydrophobicContact CZ3-CD2 4.4Å; W403-I495 HydrophobicContact CE3-CG2 4.23Å; W403-I495 HydrophobicContact CZ3-CG2 3.91Å; W403-L498 HydrophobicContact CH2-CB 3.87Å; W403-L498 HydrophobicContact CZ3-CB 4.34Å; W403-M499 HydrophobicContact CB-CE 4.46Å; W403-M499 HydrophobicContact CD2-CB 4.03Å; W403-M499 HydrophobicContact CD2-CG 3.82Å; W403-M499 HydrophobicContact CD2-SD 4.29Å; W403-M499 HydrophobicContact CE3-CB 3.94Å; W403-M499 HydrophobicContact CE3-CG 4.19Å; W403-M499 HydrophobicContact CG-CE 4.28Å; W403-M499 HydrophobicContact CG-CG 4.19Å; W403-M499 HydrophobicContact CG-SD 4.26Å; W403-M499 HydrophobicContact CH2-CB 3.9Å; W403-M499 HydrophobicContact CZ2-CB 3.97Å; W403-M499 HydrophobicContact CZ2-CG 4.25Å; W403-M499 HydrophobicContact CZ3-CB 3.88Å; W403-Y502 HydrophobicContact CZ2-CD1 4.28Å; W403-Y502 HydrophobicContact CZ2-CG 4.04Å; W403-Y502 AromaticContact NE1-CD1 3.52Å; W403-Y502 AromaticContact NE1-CE1 3.83Å; W403-Y598 HydrophobicContact CB-CD1 4.15Å; W403-Y598 HydrophobicContact CB-CE1 4.33Å; W403-Y598 HydrophobicContact CB-CG 4.36Å; W403-Y598 AromaticContact CD1-CE2 3.85Å
404M95.3Very high90Very high0 Ų034.1 Ų34.10%017%0.172CC..Hα-helixtrans-60.6-46.1179-65.9-176.9-64.700112.1F400 R401 S406 L407 V409 V413 L416 L420 V425 L429 I495F400-M404 VanDerWaalsContact O-CG 3.29Å; F400-M404 WeakPolarHBondContact O-CG 3.4Å; F400-M404 PolarHBondContact O-N 3.39Å; R401-M404 PolarHBondContact O-N 2.95Å; M404-S406 VanDerWaalsContact C-N 3.29Å; M404-S406 PolarHBondContact O-N 2.83Å; M404-L407 WeakPolarHBondContact O-CB 3.47Å; M404-L407 PolarHBondContact O-N 2.94Å; M404-L407 VanDerWaalsContact O-N 3.09Å; M404-V409 HydrophobicContact CB-CG2 4.27Å; M404-V413 HydrophobicContact CE-CB 4.32Å; M404-V413 HydrophobicContact CE-CG1 3.96Å; M404-V413 HydrophobicContact CE-CG2 4.08Å; M404-L416 HydrophobicContact CE-CD1 3.19Å; M404-L420 HydrophobicContact CE-CD1 4.35Å; M404-L420 HydrophobicContact SD-CD1 4.36Å; M404-L420 HydrophobicContact SD-CD2 4.29Å; M404-V425 HydrophobicContact SD-CG1 4.26Å; M404-L429 HydrophobicContact CB-CD2 4.4Å; M404-L429 HydrophobicContact CG-CD1 3.72Å; M404-L429 HydrophobicContact CG-CD2 4.08Å; M404-L429 HydrophobicContact SD-CD1 3.58Å; M404-L429 VanDerWaalsContact SD-CD1 3.58Å; M404-I495 HydrophobicContact SD-CG2 4.43Å
405N92.3Very high90Very high3 Ų333.9 Ų33.92%0.01617%0.167CC..Hα-helixtrans-62.5-36.1179.4-76-29.7000112.5R401 N402 W403 L407 G408 R412 V413R401-N405 WeakPolarHBondContact O-CB 3.29Å; R401-N405 PolarHBondContact O-N 3.41Å; R401-N405 PolarHBondContact O-ND2 2.95Å; N402-N405 PolarHBondContact O-N 2.94Å; W403-N405 PolarHBondContact O-N 3.24Å; N405-L407 PolarHBondContact O-N 3.24Å; N405-G408 PolarHBondContact O-N 3.48Å; N405-R412 WeakPolarHBondContact OD1-CG 3.36Å; N405-V413 PolarHBondContact ND2-O 3.43Å; N405-V413 PolarHBondContact OD1-N 3.45Å
406S89.9Confident90.2Very high1 Ų130 Ų301%0.00715%0.153CC..Hα-helixtrans-63.1-29.5175.878.80000113.1S202 C206 H207 N402 W403 M404 G408 Y598S202-S406 WeakPolarHBondContact O-CB 3.49Å; S202-S406 WeakPolarHBondContact OG-CB 3.38Å; C206-S406 WeakPolarHBondContact O-CA 3.32Å; H207-S406 PolarHBondContact ND1-O 2.81Å; N402-S406 WeakPolarHBondContact O-CB 3.4Å; N402-S406 PolarHBondContact O-N 3.35Å; W403-S406 PolarHBondContact O-N 3.39Å; W403-S406 PolarHBondContact O-OG 2.71Å; M404-S406 VanDerWaalsContact C-N 3.29Å; M404-S406 PolarHBondContact O-N 2.83Å; S406-G408 PolarHBondContact O-N 3.47Å; S406-Y598 PolarHBondContact OG-OH 3.3Å
407L87.9Confident90.4Very high7 Ų729.9 Ų29.94%0.03715%0.151CC..THydrogen-bonded Turntrans-76-5.1175.6-60-179.4000113.3W403 M404 N405 L429 K432 Y502W403-L407 HydrophobicContact CD2-CD1 4.48Å; W403-L407 HydrophobicContact CH2-CD1 4.47Å; W403-L407 HydrophobicContact CZ2-CD1 3.71Å; W403-L407 WeakPolarHBondContact O-CG 3.4Å; W403-L407 PolarHBondContact O-N 2.68Å; M404-L407 WeakPolarHBondContact O-CB 3.47Å; M404-L407 PolarHBondContact O-N 2.94Å; M404-L407 VanDerWaalsContact O-N 3.09Å; N405-L407 PolarHBondContact O-N 3.24Å; L407-L429 HydrophobicContact CD1-CD2 3.79Å; L407-K432 HydrophobicContact CD1-CG 4.45Å; L407-Y502 HydrophobicContact CD1-CE2 4.43Å; L407-Y502 HydrophobicContact CD2-CE1 4.26Å; L407-Y502 HydrophobicContact CD2-CE2 3.88Å; L407-Y502 WeakPolarHBondContact CD2-OH 3.4Å
408G85.3Confident90.3Very high31 Ų3130.7 Ų30.732%0.3216%0.158SC..THydrogen-bonded Turntrans76.337.417600000113.5H207 N405 S406H207-G408 VanDerWaalsContact ND1-CA 3.27Å; H207-G408 WeakPolarHBondContact ND1-CA 3.15Å; H207-G408 PolarHBondContact ND1-N 2.89Å; N405-G408 PolarHBondContact O-N 3.48Å; S406-G408 PolarHBondContact O-N 3.47Å
409V87Confident90.4Very high12 Ų1228.5 Ų28.57%0.07315%0.152CC..  trans-65.4147.8173.5-61.20000111.1M404 P411 V413 V425 Q428 L429M404-V409 HydrophobicContact CB-CG2 4.27Å; V409-P411 CarbonylContact C-O 3.44Å; V409-V413 HydrophobicContact CG2-CG2 4.05Å; V409-V425 HydrophobicContact CB-CG1 3.97Å; V409-V425 HydrophobicContact CG1-CG1 4.02Å; V409-V425 HydrophobicContact CG2-CG1 3.98Å; V409-Q428 HydrophobicContact CG1-CB 4.43Å; V409-L429 HydrophobicContact CG1-CD2 3.84Å; V409-L429 HydrophobicContact CG1-CG 4.29Å
410N83.3Confident90.6Very high124 Ų12428.5 Ų28.566%0.66315%0.152SC*.SBendtrans-132.7121.7179.4-17833.3000110.7Q428N410-Q428 PolarHBondContact O-NE2 3.48Å
411P85.4Confident90.6Very high67 Ų6729.3 Ų29.344%0.43516%0.157SC..SBendcis-67.1162.52.829.8-35.9000113.4V409V409-P411 CarbonylContact C-O 3.44Å
412R86.9Confident90.7Very high80 Ų8028.3 Ų28.330%0.30216%0.155SC..  trans-63.3135.8171.2-174.9179-176.581.8-1.2108.4G205 N405 N414G205-R412 PolarHBondContact O-NH1 2.92Å; G205-R412 PolarHBondContact O-NH2 3.21Å; G205-R412 VanDerWaalsContact O-NH2 3.12Å; N405-R412 WeakPolarHBondContact OD1-CG 3.36Å; R412-N414 PolarHBondContact O-N 3.42Å
413V91.7Very high90.9Very high0 Ų027.4 Ų27.40%015%0.15CC..  trans-82.1114.3176.3-177.20000108.5R401 M404 N405 V409 L416 D419 L420 V425R401-V413 WeakPolarHBondContact CD-O 3.42Å; R401-V413 HydrophobicContact CG-CB 4.27Å; R401-V413 HydrophobicContact CG-CG1 4.05Å; R401-V413 VanDerWaalsContact CG-O 3.31Å; R401-V413 WeakPolarHBondContact CG-O 3.48Å; M404-V413 HydrophobicContact CE-CB 4.32Å; M404-V413 HydrophobicContact CE-CG1 3.96Å; M404-V413 HydrophobicContact CE-CG2 4.08Å; N405-V413 PolarHBondContact ND2-O 3.43Å; N405-V413 PolarHBondContact OD1-N 3.45Å; V409-V413 HydrophobicContact CG2-CG2 4.05Å; V413-L416 HydrophobicContact CG1-CD1 4.31Å; V413-D419 HydrophobicContact CG1-CB 4.24Å; V413-L420 HydrophobicContact CG2-CD2 4.46Å; V413-V425 HydrophobicContact CG2-CG1 3.92Å; V413-V425 HydrophobicContact CG2-CG2 4.16Å
414N87.8Confident91Very high41 Ų4128 Ų2822%0.21915%0.154CC..SBendtrans-98.8-44170.2-56.9-57.7000109.6R401 R412 D419R401-N414 WeakPolarHBondContact CD-O 3.37Å; R412-N414 PolarHBondContact O-N 3.42Å; N414-D419 PolarHBondContact N-OD2 3Å
415H88.5Confident91Very high51 Ų5128.1 Ų28.124%0.23615%0.154CC..SBendtrans-127.5111-174.2-63.6-62.9000110.1M262 L264 Y417 S418 D419M262-H415 PolarHBondContact O-CD2 2.91Å; M262-H415 PolarHBondContact O-CE1 2.93Å; M262-H415 PolarHBondContact O-ND1 3.36Å; M262-H415 PolarHBondContact O-NE2 3.4Å; L264-H415 PolarHBondContact O-NE2 3.07Å; H415-Y417 VanDerWaalsContact C-N 3.3Å; H415-Y417 PolarHBondContact O-N 2.83Å; H415-Y417 VanDerWaalsContact O-N 3.16Å; H415-S418 WeakPolarHBondContact CB-OG 3.33Å; H415-S418 PolarHBondContact O-N 2.89Å; H415-S418 PolarHBondContact O-OG 3.29Å; H415-D419 PolarHBondContact N-OD2 3.45Å; H415-D419 VanDerWaalsContact O-CB 3.24Å; H415-D419 WeakPolarHBondContact O-CB 3.49Å; H415-D419 PolarHBondContact O-N 2.92Å
416L91.7Very high91.3Very high7 Ų728.1 Ų28.14%0.03715%0.154CC..Hα-helixtrans-55.8-42.5-165.4-168.363000113.7E397 M404 V413 L420 L492 I495E397-L416 HydrophobicContact CB-CD2 4.26Å; E397-L416 HydrophobicContact CG-CD2 4.04Å; M404-L416 HydrophobicContact CE-CD1 3.19Å; V413-L416 HydrophobicContact CG1-CD1 4.31Å; L416-L420 HydrophobicContact CD1-CD1 3.65Å; L416-L420 HydrophobicContact CD1-CG 4.4Å; L416-L420 HydrophobicContact CG-CD1 4.14Å; L416-L420 VanDerWaalsContact O-CB 3.31Å; L416-L420 WeakPolarHBondContact O-CB 3.42Å; L416-L420 WeakPolarHBondContact O-CD1 3.26Å; L416-L420 WeakPolarHBondContact O-CG 3.09Å; L416-L420 PolarHBondContact O-N 2.88Å; L416-L492 HydrophobicContact CD2-CD2 3.53Å; L416-I495 HydrophobicContact CD1-CD1 3.67Å; L416-I495 HydrophobicContact CD2-CD1 3.75Å; L416-I495 HydrophobicContact CG-CD1 3.88Å
417Y91.8Very high91.7Very high43 Ų4328 Ų2817%0.16915%0.154CC..Hα-helixtrans-85.5-30.3-170.4-54-57.5000113.3E397 H415 R488 T491 L492E397-Y417 HydrophobicContact CG-CE2 4.38Å; E397-Y417 WeakPolarHBondContact CG-OH 3.49Å; E397-Y417 PolarHBondContact OE1-OH 2.88Å; H415-Y417 VanDerWaalsContact C-N 3.3Å; H415-Y417 PolarHBondContact O-N 2.83Å; H415-Y417 VanDerWaalsContact O-N 3.16Å; Y417-R488 HydrophobicContact CD2-CG 4.08Å; Y417-R488 VanDerWaalsContact CE1-CA 3.43Å; Y417-R488 HydrophobicContact CE1-CB 4.04Å; Y417-R488 HydrophobicContact CE1-CG 4.14Å; Y417-R488 HydrophobicContact CE2-CB 4.24Å; Y417-R488 HydrophobicContact CE2-CG 3.61Å; Y417-R488 HydrophobicContact CG-CG 4.48Å; Y417-R488 WeakPolarHBondContact OH-CB 3.23Å; Y417-T491 HydrophobicContact CD1-CG2 3.99Å; Y417-T491 HydrophobicContact CE1-CG2 4.17Å; Y417-L492 HydrophobicContact CE1-CG 4.4Å; Y417-L492 WeakPolarHBondContact OH-CD1 3.31Å
418S89.9Confident92.1Very high27 Ų2729.5 Ų29.519%0.18916%0.16CC..Hα-helixtrans-80.4-42.7174.856.80000111.9H415 L420 S421H415-S418 WeakPolarHBondContact CB-OG 3.33Å; H415-S418 PolarHBondContact O-N 2.89Å; H415-S418 PolarHBondContact O-OG 3.29Å; S418-L420 VanDerWaalsContact C-N 3.27Å; S418-L420 PolarHBondContact O-N 3.4Å; S418-S421 VanDerWaalsContact O-CB 3.24Å; S418-S421 WeakPolarHBondContact O-CB 3.4Å; S418-S421 PolarHBondContact O-N 3.26Å; S418-S421 PolarHBondContact O-OG 3.15Å
419D92.6Very high92.7Very high36 Ų3628 Ų2819%0.19315%0.146CC..Hα-helixtrans-77.5-18.1-170.7-60.8-8.6000112.1V413 N414 H415V413-D419 HydrophobicContact CG1-CB 4.24Å; N414-D419 PolarHBondContact N-OD2 3Å; H415-D419 PolarHBondContact N-OD2 3.45Å; H415-D419 VanDerWaalsContact O-CB 3.24Å; H415-D419 WeakPolarHBondContact O-CB 3.49Å; H415-D419 PolarHBondContact O-N 2.92Å
420L96.3Very high93.2Very high3 Ų327.5 Ų27.52%0.01614%0.142CC..THydrogen-bonded Turntrans-94.9-3.4174.1-59.8-175.7000113.5M404 V413 L416 S418 D422 A423 V425 I426 T491 I495M404-L420 HydrophobicContact CE-CD1 4.35Å; M404-L420 HydrophobicContact SD-CD1 4.36Å; M404-L420 HydrophobicContact SD-CD2 4.29Å; V413-L420 HydrophobicContact CG2-CD2 4.46Å; L416-L420 HydrophobicContact CD1-CD1 3.65Å; L416-L420 HydrophobicContact CD1-CG 4.4Å; L416-L420 HydrophobicContact CG-CD1 4.14Å; L416-L420 VanDerWaalsContact O-CB 3.31Å; L416-L420 WeakPolarHBondContact O-CB 3.42Å; L416-L420 WeakPolarHBondContact O-CD1 3.26Å; L416-L420 WeakPolarHBondContact O-CG 3.09Å; L416-L420 PolarHBondContact O-N 2.88Å; S418-L420 VanDerWaalsContact C-N 3.27Å; S418-L420 PolarHBondContact O-N 3.4Å; L420-D422 PolarHBondContact O-N 3.28Å; L420-D422 VanDerWaalsContact O-N 3.11Å; L420-A423 PolarHBondContact O-N 3.43Å; L420-V425 HydrophobicContact CD2-CB 3.5Å; L420-V425 VanDerWaalsContact CD2-CB 3.5Å; L420-V425 HydrophobicContact CD2-CG1 3.5Å; L420-V425 VanDerWaalsContact CD2-CG1 3.5Å; L420-V425 HydrophobicContact CD2-CG2 4.26Å; L420-I426 HydrophobicContact CB-CD1 4.41Å; L420-I426 HydrophobicContact CD2-CG1 4.24Å; L420-T491 HydrophobicContact CD1-CG2 3.97Å; L420-I495 HydrophobicContact CD1-CD1 3.64Å; L420-I495 HydrophobicContact CD1-CG1 4.06Å
421S95.7Very high93.7Very high17 Ų1726 Ų2612%0.11913%0.131CC..THydrogen-bonded Turntrans-66.6-12.8-172.167.50000115S418 C460 N484S418-S421 VanDerWaalsContact O-CB 3.24Å; S418-S421 WeakPolarHBondContact O-CB 3.4Å; S418-S421 PolarHBondContact O-N 3.26Å; S418-S421 PolarHBondContact O-OG 3.15Å; S421-C460 PolarHBondContact O-SG 3.34Å; S421-N484 PolarHBondContact O-ND2 3.13Å
422D96.1Very high94Very high23 Ų2327.9 Ų27.912%0.12313%0.132CC..THydrogen-bonded Turntrans-110.43.4174.371.710.7000113.8L420 L424 Y447 K456 N459L420-D422 PolarHBondContact O-N 3.28Å; L420-D422 VanDerWaalsContact O-N 3.11Å; D422-L424 PolarHBondContact O-N 3.08Å; D422-L424 VanDerWaalsContact O-N 3.1Å; D422-L424 WeakPolarHBondContact OD1-CB 3.37Å; D422-L424 WeakPolarHBondContact OD1-CG 3.4Å; D422-L424 PolarHBondContact OD1-N 3.14Å; D422-L424 WeakPolarHBondContact OD2-CD1 3.18Å; D422-Y447 HydrophobicContact CB-CE2 4.15Å; D422-K456 HydrophobicContact CB-CB 4.15Å; D422-K456 HydrophobicContact CB-CD 4.06Å; D422-K456 HydrophobicContact CB-CG 3.74Å; D422-N459 WeakPolarHBondContact O-CB 3.28Å; D422-N459 PolarHBondContact O-ND2 2.92Å
423A98Very high94.2Very high0 Ų024.3 Ų24.30%012%0.119CC..SBendtrans57.88.7-178.600000117L420 V425 I426 F427 N459 A463L420-A423 PolarHBondContact O-N 3.43Å; A423-V425 VanDerWaalsContact C-N 3.34Å; A423-V425 PolarHBondContact O-N 3.37Å; A423-I426 HydrophobicContact CB-CB 4.28Å; A423-I426 HydrophobicContact CB-CD1 4.16Å; A423-I426 WeakPolarHBondContact O-CB 3.33Å; A423-I426 PolarHBondContact O-N 3.47Å; A423-I426 VanDerWaalsContact O-N 3.09Å; A423-F427 HydrophobicContact CB-CE2 4.11Å; A423-F427 HydrophobicContact CB-CZ 4.27Å; A423-F427 WeakPolarHBondContact O-CD2 3.2Å; A423-F427 WeakPolarHBondContact O-CG 3.42Å; A423-F427 PolarHBondContact O-N 2.93Å; A423-N459 HydrophobicContact CB-CB 4.24Å; A423-A463 HydrophobicContact CB-CB 3.8Å
424L96.9Very high94.2Very high16 Ų1630.8 Ų30.88%0.08415%0.147CC..Hα-helixtrans-63.4-39.1-178.5-69.3-179.2000113.2D422 F427 Q428 W439 V442 P445D422-L424 PolarHBondContact O-N 3.08Å; D422-L424 VanDerWaalsContact O-N 3.1Å; D422-L424 WeakPolarHBondContact OD1-CB 3.37Å; D422-L424 WeakPolarHBondContact OD1-CG 3.4Å; D422-L424 PolarHBondContact OD1-N 3.14Å; D422-L424 WeakPolarHBondContact OD2-CD1 3.18Å; L424-F427 HydrophobicContact CD2-CD2 4.38Å; L424-Q428 PolarHBondContact O-N 3.28Å; L424-Q428 PolarHBondContact O-NE2 3.02Å; L424-Q428 VanDerWaalsContact O-NE2 3.09Å; L424-W439 HydrophobicContact CD2-CZ3 4.49Å; L424-V442 HydrophobicContact CD2-CG1 3.48Å; L424-V442 VanDerWaalsContact CD2-CG1 3.48Å; L424-P445 HydrophobicContact CD1-CG 4.21Å
425V96.7Very high94.6Very high1 Ų129.4 Ų29.41%0.00614%0.14CC..Hα-helixtrans-67.1-40.4173.3171.60000110.4M404 V409 V413 L420 A423 F427 Q428 L429M404-V425 HydrophobicContact SD-CG1 4.26Å; V409-V425 HydrophobicContact CB-CG1 3.97Å; V409-V425 HydrophobicContact CG1-CG1 4.02Å; V409-V425 HydrophobicContact CG2-CG1 3.98Å; V413-V425 HydrophobicContact CG2-CG1 3.92Å; V413-V425 HydrophobicContact CG2-CG2 4.16Å; L420-V425 HydrophobicContact CD2-CB 3.5Å; L420-V425 VanDerWaalsContact CD2-CB 3.5Å; L420-V425 HydrophobicContact CD2-CG1 3.5Å; L420-V425 VanDerWaalsContact CD2-CG1 3.5Å; L420-V425 HydrophobicContact CD2-CG2 4.26Å; A423-V425 VanDerWaalsContact C-N 3.34Å; A423-V425 PolarHBondContact O-N 3.37Å; V425-F427 VanDerWaalsContact C-N 3.31Å; V425-F427 PolarHBondContact O-N 3.09Å; V425-Q428 WeakPolarHBondContact O-CB 3.47Å; V425-Q428 PolarHBondContact O-N 3.41Å; V425-Q428 VanDerWaalsContact O-N 3.15Å; V425-L429 HydrophobicContact CG1-CD1 4.26Å; V425-L429 HydrophobicContact CG1-CG 4.47Å; V425-L429 WeakPolarHBondContact O-CG 3.29Å; V425-L429 PolarHBondContact O-N 3.43Å
426I98.3Very high94.9Very high3 Ų331.6 Ų31.62%0.01516%0.159CC..Hα-helixtrans-60.7-41.3178.5-59176000110.9L420 A423 Q428 L429 Y430 A463 L483 L494 L498L420-I426 HydrophobicContact CB-CD1 4.41Å; L420-I426 HydrophobicContact CD2-CG1 4.24Å; A423-I426 HydrophobicContact CB-CB 4.28Å; A423-I426 HydrophobicContact CB-CD1 4.16Å; A423-I426 WeakPolarHBondContact O-CB 3.33Å; A423-I426 PolarHBondContact O-N 3.47Å; A423-I426 VanDerWaalsContact O-N 3.09Å; I426-Q428 PolarHBondContact O-N 2.91Å; I426-L429 WeakPolarHBondContact O-CB 3.13Å; I426-L429 PolarHBondContact O-N 3.09Å; I426-Y430 HydrophobicContact CG2-CD2 3.93Å; I426-Y430 HydrophobicContact CG2-CE2 3.55Å; I426-Y430 WeakPolarHBondContact O-CD2 3.42Å; I426-Y430 PolarHBondContact O-N 3.33Å; I426-A463 HydrophobicContact CG2-CB 4.08Å; I426-L483 HydrophobicContact CD1-CD1 4.2Å; I426-L494 HydrophobicContact CD1-CD2 4.09Å; I426-L494 HydrophobicContact CG2-CD2 4.4Å; I426-L498 HydrophobicContact CG2-CD1 4.2Å
427F98.4Very high95.1Very high0 Ų032.1 Ų32.10%016%0.163CC..Hα-helixtrans-61.1-43174.7-66.4-46.5000112.9A423 L424 V425 L429 Y430 E431 V437 W439 V442 N459 Y462 A463 L466A423-F427 HydrophobicContact CB-CE2 4.11Å; A423-F427 HydrophobicContact CB-CZ 4.27Å; A423-F427 WeakPolarHBondContact O-CD2 3.2Å; A423-F427 WeakPolarHBondContact O-CG 3.42Å; A423-F427 PolarHBondContact O-N 2.93Å; L424-F427 HydrophobicContact CD2-CD2 4.38Å; V425-F427 VanDerWaalsContact C-N 3.31Å; V425-F427 PolarHBondContact O-N 3.09Å; F427-L429 VanDerWaalsContact C-N 3.29Å; F427-L429 PolarHBondContact O-N 2.72Å; F427-Y430 HydrophobicContact CD1-CD2 4.36Å; F427-Y430 WeakPolarHBondContact O-CB 3.47Å; F427-Y430 PolarHBondContact O-N 2.77Å; F427-E431 PolarHBondContact O-N 3.37Å; F427-E431 VanDerWaalsContact O-N 3.16Å; F427-V437 HydrophobicContact CB-CG1 4.06Å; F427-V437 HydrophobicContact CB-CG2 4.23Å; F427-V437 HydrophobicContact CD1-CG1 3.77Å; F427-V437 HydrophobicContact CD1-CG2 4.28Å; F427-V437 HydrophobicContact CE1-CG1 4.46Å; F427-V437 HydrophobicContact CG-CG1 3.99Å; F427-V437 WeakPolarHBondContact O-CG2 2.69Å; F427-W439 HydrophobicContact CB-CH2 3.73Å; F427-W439 HydrophobicContact CB-CZ2 4.17Å; F427-W439 HydrophobicContact CB-CZ3 4.23Å; F427-V442 HydrophobicContact CD2-CG1 3.79Å; F427-V442 HydrophobicContact CD2-CG2 3.84Å; F427-V442 HydrophobicContact CE2-CB 4.31Å; F427-V442 HydrophobicContact CE2-CG1 3.71Å; F427-V442 HydrophobicContact CE2-CG2 3.7Å; F427-V442 HydrophobicContact CG-CG2 4.34Å; F427-V442 HydrophobicContact CZ-CG2 4.07Å; F427-N459 HydrophobicContact CE2-CB 3.85Å; F427-N459 HydrophobicContact CZ-CB 4.12Å; F427-N459 VanDerWaalsContact CZ-O 3.27Å; F427-N459 WeakPolarHBondContact CZ-O 3.13Å; F427-Y462 AromaticContact CE1-CD1 3.56Å; F427-Y462 HydrophobicContact CE1-CD1 3.56Å; F427-Y462 HydrophobicContact CE1-CE1 4.06Å; F427-Y462 HydrophobicContact CE1-CG 4.18Å; F427-Y462 AromaticContact CZ-CD1 3.63Å; F427-Y462 HydrophobicContact CZ-CD1 3.63Å; F427-Y462 HydrophobicContact CZ-CE1 4.43Å; F427-Y462 HydrophobicContact CZ-CG 4.29Å; F427-A463 HydrophobicContact CD1-CB 4.47Å; F427-A463 HydrophobicContact CE1-CB 3.8Å; F427-A463 HydrophobicContact CZ-CB 4.16Å; F427-L466 HydrophobicContact CD1-CD1 4.06Å; F427-L466 HydrophobicContact CE1-CD1 4.05Å
428Q96.3Very high95.3Very high37 Ų3733.2 Ų33.217%0.17317%0.171CC..Hα-helixtrans-61.2-40.5174.5-70.2166.67100111.4V409 N410 L424 V425 I426 Y430 E431 K432 W439V409-Q428 HydrophobicContact CG1-CB 4.43Å; N410-Q428 PolarHBondContact O-NE2 3.48Å; L424-Q428 PolarHBondContact O-N 3.28Å; L424-Q428 PolarHBondContact O-NE2 3.02Å; L424-Q428 VanDerWaalsContact O-NE2 3.09Å; V425-Q428 WeakPolarHBondContact O-CB 3.47Å; V425-Q428 PolarHBondContact O-N 3.41Å; V425-Q428 VanDerWaalsContact O-N 3.15Å; I426-Q428 PolarHBondContact O-N 2.91Å; Q428-Y430 VanDerWaalsContact C-N 3.35Å; Q428-Y430 PolarHBondContact O-N 3.31Å; Q428-E431 PolarHBondContact O-N 3.07Å; Q428-K432 WeakPolarHBondContact O-CG 3.29Å; Q428-K432 PolarHBondContact O-N 3.2Å; Q428-K432 VanDerWaalsContact O-N 3.07Å; Q428-W439 HydrophobicContact CG-CH2 4.21Å; Q428-W439 HydrophobicContact CG-CZ2 4.49Å
429L96.9Very high95.6Very high1 Ų135.4 Ų35.41%0.00518%0.176CC..Hα-helixtrans-64-39175.8-64.2172.8000112W403 M404 L407 V409 V425 I426 F427 E431 K432 I433 L498W403-L429 HydrophobicContact CH2-CD1 4.45Å; W403-L429 HydrophobicContact CH2-CD2 4.15Å; W403-L429 HydrophobicContact CZ3-CD1 4.26Å; W403-L429 HydrophobicContact CZ3-CD2 4.4Å; M404-L429 HydrophobicContact CB-CD2 4.4Å; M404-L429 HydrophobicContact CG-CD1 3.72Å; M404-L429 HydrophobicContact CG-CD2 4.08Å; M404-L429 HydrophobicContact SD-CD1 3.58Å; M404-L429 VanDerWaalsContact SD-CD1 3.58Å; L407-L429 HydrophobicContact CD1-CD2 3.79Å; V409-L429 HydrophobicContact CG1-CD2 3.84Å; V409-L429 HydrophobicContact CG1-CG 4.29Å; V425-L429 HydrophobicContact CG1-CD1 4.26Å; V425-L429 HydrophobicContact CG1-CG 4.47Å; V425-L429 WeakPolarHBondContact O-CG 3.29Å; V425-L429 PolarHBondContact O-N 3.43Å; I426-L429 WeakPolarHBondContact O-CB 3.13Å; I426-L429 PolarHBondContact O-N 3.09Å; F427-L429 VanDerWaalsContact C-N 3.29Å; F427-L429 PolarHBondContact O-N 2.72Å; L429-E431 VanDerWaalsContact C-N 3.31Å; L429-E431 PolarHBondContact O-N 3.18Å; L429-K432 WeakPolarHBondContact O-CB 3.18Å; L429-K432 PolarHBondContact O-N 2.76Å; L429-K432 VanDerWaalsContact O-N 3.11Å; L429-I433 WeakPolarHBondContact O-CG1 3.38Å; L429-I433 PolarHBondContact O-N 2.92Å; L429-L498 HydrophobicContact CB-CD1 4.34Å; L429-L498 HydrophobicContact CD1-CD1 4.09Å
430Y97.8Very high95.7Very high0 Ų041 Ų410%021%0.206CC..Hα-helixtrans-56.1-44.8172.7-82.3-55000111.8I426 F427 Q428 K432 I433 K434 V435 A463 L466 G467 A471 F473 L498I426-Y430 HydrophobicContact CG2-CD2 3.93Å; I426-Y430 HydrophobicContact CG2-CE2 3.55Å; I426-Y430 WeakPolarHBondContact O-CD2 3.42Å; I426-Y430 PolarHBondContact O-N 3.33Å; F427-Y430 HydrophobicContact CD1-CD2 4.36Å; F427-Y430 WeakPolarHBondContact O-CB 3.47Å; F427-Y430 PolarHBondContact O-N 2.77Å; Q428-Y430 VanDerWaalsContact C-N 3.35Å; Q428-Y430 PolarHBondContact O-N 3.31Å; Y430-K432 VanDerWaalsContact C-N 3.34Å; Y430-K432 PolarHBondContact O-N 3.45Å; Y430-I433 HydrophobicContact CD1-CD1 3.99Å; Y430-I433 HydrophobicContact CD1-CG1 4.39Å; Y430-I433 HydrophobicContact CE1-CD1 4.46Å; Y430-I433 CarbonylContact O-C 3.35Å; Y430-I433 WeakPolarHBondContact O-CG1 3.31Å; Y430-I433 PolarHBondContact O-N 2.94Å; Y430-I433 VanDerWaalsContact O-N 3.13Å; Y430-K434 PolarHBondContact O-N 2.85Å; Y430-V435 CarbonylContact C-O 3.56Å; Y430-V435 HydrophobicContact CD1-CB 3.79Å; Y430-V435 HydrophobicContact CD1-CG1 3.77Å; Y430-V435 HydrophobicContact CD1-CG2 4.12Å; Y430-V435 HydrophobicContact CE1-CG1 4.48Å; Y430-V435 HydrophobicContact CG-CB 4.29Å; Y430-V435 HydrophobicContact CG-CG1 4.21Å; Y430-V435 PolarHBondContact O-N 3.25Å; Y430-A463 HydrophobicContact CE2-CB 4.23Å; Y430-A463 WeakPolarHBondContact CE2-O 3.34Å; Y430-A463 PolarHBondContact OH-O 3.45Å; Y430-L466 HydrophobicContact CD2-CB 4.37Å; Y430-L466 HydrophobicContact CD2-CD1 4.1Å; Y430-L466 HydrophobicContact CE1-CB 4.49Å; Y430-L466 HydrophobicContact CE2-CB 4.02Å; Y430-L466 HydrophobicContact CE2-CD1 4.4Å; Y430-G467 WeakPolarHBondContact OH-CA 3.24Å; Y430-G467 PolarHBondContact OH-N 2.67Å; Y430-G467 VanDerWaalsContact OH-N 3.12Å; Y430-A471 HydrophobicContact CE1-CB 4.17Å; Y430-F473 HydrophobicContact CE1-CD2 4.46Å; Y430-F473 AromaticContact CE1-CE2 3.89Å; Y430-F473 HydrophobicContact CE1-CE2 3.89Å; Y430-L498 HydrophobicContact CD1-CD2 3.88Å; Y430-L498 HydrophobicContact CE1-CD2 3.71Å; Y430-L498 HydrophobicContact CG-CD2 4.49Å
431E93.9Very high95.7Very high93 Ų9346.5 Ų46.544%0.43523%0.226SC..Hα-helixtrans-62.2-41.1175.2-64.1-175.9134.400112F427 Q428 L429 I433 K434 V437 W439F427-E431 PolarHBondContact O-N 3.37Å; F427-E431 VanDerWaalsContact O-N 3.16Å; Q428-E431 PolarHBondContact O-N 3.07Å; L429-E431 VanDerWaalsContact C-N 3.31Å; L429-E431 PolarHBondContact O-N 3.18Å; E431-I433 PolarHBondContact O-N 3.27Å; E431-K434 PolarHBondContact O-N 3.2Å; E431-V437 HydrophobicContact CG-CB 4.48Å; E431-V437 HydrophobicContact CG-CG2 4.08Å; E431-W439 PolarHBondContact OE1-NE1 3.06Å
432K91.1Very high95.8Very high106 Ų10646.3 Ų46.346%0.46122%0.224SC..Hα-helixtrans-61.9-27.3175.8-61.2-51.1-177-170.70113.1L407 Q428 L429 Y430L407-K432 HydrophobicContact CD1-CG 4.45Å; Q428-K432 WeakPolarHBondContact O-CG 3.29Å; Q428-K432 PolarHBondContact O-N 3.2Å; Q428-K432 VanDerWaalsContact O-N 3.07Å; L429-K432 WeakPolarHBondContact O-CB 3.18Å; L429-K432 PolarHBondContact O-N 2.76Å; L429-K432 VanDerWaalsContact O-N 3.11Å; Y430-K432 VanDerWaalsContact C-N 3.34Å; Y430-K432 PolarHBondContact O-N 3.45Å
433I92.4Very high95.8Very high5 Ų546.9 Ų46.93%0.02623%0.227CC..THydrogen-bonded Turntrans-9918.6175.166161.5000113.5L429 Y430 E431 V435 F473 L498 R501 Y502 N505L429-I433 WeakPolarHBondContact O-CG1 3.38Å; L429-I433 PolarHBondContact O-N 2.92Å; Y430-I433 HydrophobicContact CD1-CD1 3.99Å; Y430-I433 HydrophobicContact CD1-CG1 4.39Å; Y430-I433 HydrophobicContact CE1-CD1 4.46Å; Y430-I433 CarbonylContact O-C 3.35Å; Y430-I433 WeakPolarHBondContact O-CG1 3.31Å; Y430-I433 PolarHBondContact O-N 2.94Å; Y430-I433 VanDerWaalsContact O-N 3.13Å; E431-I433 PolarHBondContact O-N 3.27Å; I433-V435 VanDerWaalsContact C-N 3.28Å; I433-V435 HydrophobicContact CD1-CG2 3.94Å; I433-V435 HydrophobicContact CG1-CB 4.43Å; I433-V435 HydrophobicContact CG1-CG2 3.96Å; I433-V435 PolarHBondContact O-N 3.35Å; I433-F473 HydrophobicContact CD1-CE2 4.42Å; I433-F473 HydrophobicContact CD1-CZ 3.75Å; I433-L498 HydrophobicContact CD1-CD2 3.61Å; I433-L498 HydrophobicContact CG1-CD2 4.46Å; I433-R501 HydrophobicContact CB-CG 4.07Å; I433-R501 HydrophobicContact CD1-CB 4.2Å; I433-R501 HydrophobicContact CD1-CG 3.83Å; I433-R501 HydrophobicContact CG1-CG 4.5Å; I433-Y502 HydrophobicContact CG2-CD2 4.17Å; I433-Y502 HydrophobicContact CG2-CG 4.4Å; I433-N505 PolarHBondContact O-ND2 3.1Å
434K91.3Very high95.5Very high136 Ų13653 Ų5359%0.59125%0.254SS*.THydrogen-bonded Turntrans61.431176.7-51.5-179.2-179.3178.70114.1Y430 E431 E509Y430-K434 PolarHBondContact O-N 2.85Å; E431-K434 PolarHBondContact O-N 3.2Å; K434-E509 WeakPolarHBondContact CE-OE1 3.44Å; K434-E509 IonicContact NZ-OE1 2.64Å; K434-E509 PolarHBondContact NZ-OE1 3.01Å
435V95Very high95.1Very high12 Ų1255.8 Ų55.87%0.07327%0.273CS..  trans-99.4112.7169.9176.30000107.9Y430 I433 V437 Q470 A471Y430-V435 CarbonylContact C-O 3.56Å; Y430-V435 HydrophobicContact CD1-CB 3.79Å; Y430-V435 HydrophobicContact CD1-CG1 3.77Å; Y430-V435 HydrophobicContact CD1-CG2 4.12Å; Y430-V435 HydrophobicContact CE1-CG1 4.48Å; Y430-V435 HydrophobicContact CG-CB 4.29Å; Y430-V435 HydrophobicContact CG-CG1 4.21Å; Y430-V435 PolarHBondContact O-N 3.25Å; I433-V435 VanDerWaalsContact C-N 3.28Å; I433-V435 HydrophobicContact CD1-CG2 3.94Å; I433-V435 HydrophobicContact CG1-CB 4.43Å; I433-V435 HydrophobicContact CG1-CG2 3.96Å; I433-V435 PolarHBondContact O-N 3.35Å; V435-V437 PolarHBondContact O-N 3.3Å; V435-Q470 HydrophobicContact CG1-CB 3.85Å; V435-A471 HydrophobicContact CG2-CB 3.88Å
436P94.9Very high94.8Very high98 Ų9861.9 Ų61.964%0.63631%0.313SS*.  trans-62.5136.3-178.3-23.133.8000112.5
437V96.6Very high94.4Very high17 Ų1764 Ų6410%0.10332%0.321CS..  trans-112.8128.8174.2-177.20000109.2F427 E431 V435 W439 V442 Y462 L466F427-V437 HydrophobicContact CB-CG1 4.06Å; F427-V437 HydrophobicContact CB-CG2 4.23Å; F427-V437 HydrophobicContact CD1-CG1 3.77Å; F427-V437 HydrophobicContact CD1-CG2 4.28Å; F427-V437 HydrophobicContact CE1-CG1 4.46Å; F427-V437 HydrophobicContact CG-CG1 3.99Å; F427-V437 WeakPolarHBondContact O-CG2 2.69Å; E431-V437 HydrophobicContact CG-CB 4.48Å; E431-V437 HydrophobicContact CG-CG2 4.08Å; V435-V437 PolarHBondContact O-N 3.3Å; V437-W439 HydrophobicContact CG1-CD2 4.38Å; V437-W439 PolarHBondContact O-N 3.01Å; V437-V442 HydrophobicContact CG1-CG2 4.05Å; V437-Y462 HydrophobicContact CG1-CE1 4.07Å; V437-L466 HydrophobicContact CG1-CD1 4.37Å; V437-L466 HydrophobicContact CG2-CD1 4.01Å
438D96.8Very high93.9Very high66 Ų6667.8 Ų67.835%0.35335%0.346SS..  trans-84.194.9169.8-178.67.1000109.8N440 R441 Y462D438-N440 PolarHBondContact O-N 3.04Å; D438-N440 VanDerWaalsContact O-N 3.11Å; D438-N440 VanDerWaalsContact OD1-CB 3.32Å; D438-N440 WeakPolarHBondContact OD1-CB 3.28Å; D438-N440 PolarHBondContact OD1-N 3.3Å; D438-N440 VanDerWaalsContact OD1-N 3.07Å; D438-N440 PolarHBondContact OD1-ND2 3.04Å; D438-R441 HydrophobicContact CB-CG 4.45Å; D438-R441 PolarHBondContact O-N 3.25Å; D438-Y462 WeakPolarHBondContact CB-OH 3.08Å; D438-Y462 PolarHBondContact N-OH 3.28Å
439W95.1Very high93.4Very high74 Ų7476.9 Ų76.928%0.2838%0.384SS..G310 helixtrans-63.9-12.6-179.5-71100.9000114.5L424 F427 Q428 E431 V437 R441 V442L424-W439 HydrophobicContact CD2-CZ3 4.49Å; F427-W439 HydrophobicContact CB-CH2 3.73Å; F427-W439 HydrophobicContact CB-CZ2 4.17Å; F427-W439 HydrophobicContact CB-CZ3 4.23Å; Q428-W439 HydrophobicContact CG-CH2 4.21Å; Q428-W439 HydrophobicContact CG-CZ2 4.49Å; E431-W439 PolarHBondContact OE1-NE1 3.06Å; V437-W439 HydrophobicContact CG1-CD2 4.38Å; V437-W439 PolarHBondContact O-N 3.01Å; W439-R441 VanDerWaalsContact C-N 3.28Å; W439-V442 HydrophobicContact CE3-CB 3.94Å; W439-V442 HydrophobicContact CE3-CG1 3.94Å; W439-V442 HydrophobicContact CE3-CG2 3.95Å; W439-V442 HydrophobicContact CZ3-CB 4.45Å; W439-V442 HydrophobicContact CZ3-CG1 3.97Å; W439-V442 HydrophobicContact CZ3-CG2 4.45Å; W439-V442 PolarHBondContact O-N 2.63Å
440N96Very high92.9Very high154 Ų15484.8 Ų84.882%0.82443%0.426SS*.G310 helixtrans-73.8-22.7173.3-56.5-60.7000112.1D438D438-N440 PolarHBondContact O-N 3.04Å; D438-N440 VanDerWaalsContact O-N 3.11Å; D438-N440 VanDerWaalsContact OD1-CB 3.32Å; D438-N440 WeakPolarHBondContact OD1-CB 3.28Å; D438-N440 PolarHBondContact OD1-N 3.3Å; D438-N440 VanDerWaalsContact OD1-N 3.07Å; D438-N440 PolarHBondContact OD1-ND2 3.04Å
441R95.8Very high92.4Very high118 Ų11886.8 Ų86.845%0.44545%0.446SS..G310 helixtrans-85.6-9.5174-66.9178.863-173-5.9113D438 W439 Y462 E465D438-R441 HydrophobicContact CB-CG 4.45Å; D438-R441 PolarHBondContact O-N 3.25Å; W439-R441 VanDerWaalsContact C-N 3.28Å; R441-Y462 HydrophobicContact CB-CD1 4.25Å; R441-Y462 HydrophobicContact CB-CE1 4.08Å; R441-E465 IonicContact CZ-OE2 3.74Å; R441-E465 IonicContact NH1-OE1 2.89Å; R441-E465 PolarHBondContact NH1-OE1 2.65Å; R441-E465 IonicContact NH1-OE2 3.12Å; R441-E465 IonicContact NH2-OE1 3.36Å; R441-E465 IonicContact NH2-OE2 2.63Å; R441-E465 PolarHBondContact NH2-OE2 3.38Å
442V97.1Very high92.3Very high12 Ų1282.6 Ų82.67%0.07343%0.428CS..  trans-92.2122-172.7178.50000111L424 F427 V437 W439 Y462L424-V442 HydrophobicContact CD2-CG1 3.48Å; L424-V442 VanDerWaalsContact CD2-CG1 3.48Å; F427-V442 HydrophobicContact CD2-CG1 3.79Å; F427-V442 HydrophobicContact CD2-CG2 3.84Å; F427-V442 HydrophobicContact CE2-CB 4.31Å; F427-V442 HydrophobicContact CE2-CG1 3.71Å; F427-V442 HydrophobicContact CE2-CG2 3.7Å; F427-V442 HydrophobicContact CG-CG2 4.34Å; F427-V442 HydrophobicContact CZ-CG2 4.07Å; V437-V442 HydrophobicContact CG1-CG2 4.05Å; W439-V442 HydrophobicContact CE3-CB 3.94Å; W439-V442 HydrophobicContact CE3-CG1 3.94Å; W439-V442 HydrophobicContact CE3-CG2 3.95Å; W439-V442 HydrophobicContact CZ3-CB 4.45Å; W439-V442 HydrophobicContact CZ3-CG1 3.97Å; W439-V442 HydrophobicContact CZ3-CG2 4.45Å; W439-V442 PolarHBondContact O-N 2.63Å; V442-Y462 HydrophobicContact CG2-CD1 4.22Å; V442-Y462 HydrophobicContact CG2-CE1 4.14Å
443N96.3Very high92.4Very high35 Ų3582.3 Ų82.319%0.18743%0.432CS..  trans-79.7129173.6-60.9-76.9000110.7Y447 K455 E458 N459N443-Y447 HydrophobicContact CB-CE1 4.18Å; N443-Y447 PolarHBondContact O-OH 2.93Å; N443-K455 HydrophobicContact CB-CB 3.92Å; N443-K455 HydrophobicContact CB-CD 4.49Å; N443-K455 PolarHBondContact ND2-O 2.88Å; N443-K455 WeakPolarHBondContact OD1-CD 3.42Å; N443-K455 PolarHBondContact OD1-NZ 3.28Å; N443-E458 PolarHBondContact ND2-OE2 2.89Å; N443-N459 WeakPolarHBondContact CB-OD1 3.41Å; N443-N459 PolarHBondContact N-OD1 3.49Å; N443-N459 PolarHBondContact ND2-OD1 3.36Å; N443-N459 PolarHBondContact O-ND2 2.82Å
444K92.3Very high92.6Very high128 Ų12887.4 Ų87.456%0.55746%0.457SS*.  trans-112.4151-176.6-62.7178.7-176.7178.30111.9
445P88.3Confident92.9Very high75 Ų7584 Ų8449%0.48744%0.442SS..SBendtrans-65.2160.7172.727.8-36.5000112L424 Y447L424-P445 HydrophobicContact CD1-CG 4.21Å; P445-Y447 HydrophobicContact CB-CD2 4.11Å; P445-Y447 HydrophobicContact CB-CE2 3.95Å; P445-Y447 HydrophobicContact CG-CE2 4.45Å
446P90.6Very high93Very high130 Ų13086.1 Ų86.184%0.84445%0.45SS*.SBendcis-73.4132.90.529.8-34.4000112.3
447Y89.8Confident93.1Very high47 Ų4783.8 Ų83.818%0.18443%0.432CS..PPolyproline II helixtrans-80137.7177.5-61.5-66.4000110.6D422 N443 P445 K455 K456D422-Y447 HydrophobicContact CB-CE2 4.15Å; N443-Y447 HydrophobicContact CB-CE1 4.18Å; N443-Y447 PolarHBondContact O-OH 2.93Å; P445-Y447 HydrophobicContact CB-CD2 4.11Å; P445-Y447 HydrophobicContact CB-CE2 3.95Å; P445-Y447 HydrophobicContact CG-CE2 4.45Å; Y447-K455 HydrophobicContact CD1-CB 3.99Å; Y447-K455 HydrophobicContact CE1-CB 4.21Å; Y447-K456 HydrophobicContact CD2-CG 4.25Å; Y447-K456 HydrophobicContact CE2-CG 4.08Å
448P88.7Confident93.2Very high80 Ų8086.4 Ų86.452%0.51944%0.443SS..PPolyproline II helixtrans-60.3143.6174.4-23.233.6000111.8L450 G452P448-L450 WeakPolarHBondContact CB-O 3.33Å; P448-L450 PolarHBondContact O-N 3.35Å; P448-G452 WeakPolarHBondContact O-CA 3.47Å; P448-G452 PolarHBondContact O-N 2.93Å
449K85.4Confident93.3Very high227 Ų22783.3 Ų83.399%0.98743%0.426SS*.THydrogen-bonded Turntrans-55.4-41.9176.1-71.3-172.1177.2-175.10111.9
450L85.8Confident93.5Very high168 Ų16879.8 Ų79.888%0.8841%0.413SS*.THydrogen-bonded Turntrans-96120.6174.5-158.199.9000109.3P448 G452P448-L450 WeakPolarHBondContact CB-O 3.33Å; P448-L450 PolarHBondContact O-N 3.35Å; L450-G452 VanDerWaalsContact C-N 3.34Å; L450-G452 PolarHBondContact O-N 2.74Å
451G87.8Confident93.6Very high41 Ų4176.2 Ų76.242%0.42339%0.394SS..THydrogen-bonded Turntrans84.7-3.6178.700000115.5N453 M454 K455G451-N453 VanDerWaalsContact C-N 3.28Å; G451-N453 PolarHBondContact O-N 2.91Å; G451-M454 WeakPolarHBondContact O-CB 3.47Å; G451-M454 PolarHBondContact O-N 3.37Å; G451-M454 VanDerWaalsContact O-N 3.11Å; G451-K455 PolarHBondContact O-N 3.02Å
452G91.8Very high93.7Very high6 Ų671.2 Ų71.26%0.06238%0.375CS..Hα-helixtrans-56.7-39.9174.700000113.2P448 L450 M454 K455 K456P448-G452 WeakPolarHBondContact O-CA 3.47Å; P448-G452 PolarHBondContact O-N 2.93Å; L450-G452 VanDerWaalsContact C-N 3.34Å; L450-G452 PolarHBondContact O-N 2.74Å; G452-M454 VanDerWaalsContact C-N 3.31Å; G452-M454 PolarHBondContact O-N 3.4Å; G452-K455 WeakPolarHBondContact O-CB 3.45Å; G452-K455 PolarHBondContact O-N 3.09Å; G452-K455 VanDerWaalsContact O-N 3.13Å; G452-K456 PolarHBondContact O-N 3.31Å; G452-K456 VanDerWaalsContact O-N 3.11Å
453N93.7Very high93.8Very high100 Ų10070.7 Ų70.754%0.53537%0.372SS..Hα-helixtrans-64.5-35.8177.1-161.856.8000112.8G451 K455 K456 L457 N484G451-N453 VanDerWaalsContact C-N 3.28Å; G451-N453 PolarHBondContact O-N 2.91Å; N453-K455 VanDerWaalsContact C-N 3.27Å; N453-K455 PolarHBondContact O-N 3.47Å; N453-K456 PolarHBondContact O-N 3.23Å; N453-L457 WeakPolarHBondContact O-CB 3.38Å; N453-L457 PolarHBondContact O-N 3.17Å; N453-N484 PolarHBondContact ND2-OD1 3.32Å; N453-N484 VanDerWaalsContact ND2-OD1 3.14Å; N453-N484 PolarHBondContact OD1-ND2 2.88Å; N453-N484 PolarHBondContact OD1-OD1 3.29Å
454M96.1Very high93.9Very high111 Ų11169.3 Ų69.355%0.54737%0.365SS..Hα-helixtrans-63-37175.2-169177.475.300111.2G451 G452 L457 E458G451-M454 WeakPolarHBondContact O-CB 3.47Å; G451-M454 PolarHBondContact O-N 3.37Å; G451-M454 VanDerWaalsContact O-N 3.11Å; G452-M454 VanDerWaalsContact C-N 3.31Å; G452-M454 PolarHBondContact O-N 3.4Å; M454-L457 PolarHBondContact O-N 3.39Å; M454-E458 WeakPolarHBondContact O-CG 3.34Å; M454-E458 PolarHBondContact O-N 3.02Å
455K96.9Very high94.1Very high65 Ų6566.7 Ų66.728%0.28336%0.355SS..Hα-helixtrans-66.7-39.2175.4-64.3-46.4-162.4169.40113.3N443 Y447 G451 G452 N453 E458 N459N443-K455 HydrophobicContact CB-CB 3.92Å; N443-K455 HydrophobicContact CB-CD 4.49Å; N443-K455 PolarHBondContact ND2-O 2.88Å; N443-K455 WeakPolarHBondContact OD1-CD 3.42Å; N443-K455 PolarHBondContact OD1-NZ 3.28Å; Y447-K455 HydrophobicContact CD1-CB 3.99Å; Y447-K455 HydrophobicContact CE1-CB 4.21Å; G451-K455 PolarHBondContact O-N 3.02Å; G452-K455 WeakPolarHBondContact O-CB 3.45Å; G452-K455 PolarHBondContact O-N 3.09Å; G452-K455 VanDerWaalsContact O-N 3.13Å; N453-K455 VanDerWaalsContact C-N 3.27Å; N453-K455 PolarHBondContact O-N 3.47Å; K455-E458 VanDerWaalsContact CD-OE2 3.29Å; K455-E458 WeakPolarHBondContact CD-OE2 3.34Å; K455-E458 IonicContact NZ-OE1 3.86Å; K455-E458 PolarHBondContact NZ-OE1 2.98Å; K455-E458 IonicContact NZ-OE2 2.58Å; K455-E458 PolarHBondContact NZ-OE2 3.41Å; K455-N459 PolarHBondContact O-N 3.2Å
456K97.1Very high94.6Very high57 Ų5763.4 Ų63.425%0.24833%0.333CS..Hα-helixtrans-64.3-44.6172-63.3-174.6176.9-169.80111.3D422 Y447 G452 N453 E458 N459 C460 N484D422-K456 HydrophobicContact CB-CB 4.15Å; D422-K456 HydrophobicContact CB-CD 4.06Å; D422-K456 HydrophobicContact CB-CG 3.74Å; Y447-K456 HydrophobicContact CD2-CG 4.25Å; Y447-K456 HydrophobicContact CE2-CG 4.08Å; G452-K456 PolarHBondContact O-N 3.31Å; G452-K456 VanDerWaalsContact O-N 3.11Å; N453-K456 PolarHBondContact O-N 3.23Å; K456-E458 PolarHBondContact O-N 2.76Å; K456-N459 VanDerWaalsContact O-CB 3.32Å; K456-N459 WeakPolarHBondContact O-CB 3.5Å; K456-N459 PolarHBondContact O-N 3.09Å; K456-N459 VanDerWaalsContact O-N 3.13Å; K456-C460 PolarHBondContact O-N 3.03Å; K456-C460 PolarHBondContact O-SG 3.33Å; K456-C460 VanDerWaalsContact O-SG 3.36Å; K456-N484 VanDerWaalsContact CB-ND2 3.3Å; K456-N484 WeakPolarHBondContact CB-ND2 3.21Å
457L97.9Very high94.9Very high48 Ų4857.2 Ų57.225%0.25129%0.293SS..Hα-helixtrans-62.2-41.5177.2-178.960.9000112.7N453 M454 N459 C460 N461 Q481 N484N453-L457 WeakPolarHBondContact O-CB 3.38Å; N453-L457 PolarHBondContact O-N 3.17Å; M454-L457 PolarHBondContact O-N 3.39Å; L457-N459 VanDerWaalsContact C-N 3.3Å; L457-N459 PolarHBondContact O-N 3.15Å; L457-C460 PolarHBondContact O-N 3.38Å; L457-N461 WeakPolarHBondContact O-CB 3.36Å; L457-N461 PolarHBondContact O-N 3.19Å; L457-N461 PolarHBondContact O-ND2 3.09Å; L457-Q481 HydrophobicContact CD1-CB 4.09Å; L457-N484 HydrophobicContact CD1-CB 4.18Å
458E98.2Very high95.2Very high73 Ų7359 Ų5934%0.34130%0.302SS..Hα-helixtrans-55.3-45171.9-77169.1-163.100111.3N443 M454 K455 K456 N461 Y462N443-E458 PolarHBondContact ND2-OE2 2.89Å; M454-E458 WeakPolarHBondContact O-CG 3.34Å; M454-E458 PolarHBondContact O-N 3.02Å; K455-E458 VanDerWaalsContact CD-OE2 3.29Å; K455-E458 WeakPolarHBondContact CD-OE2 3.34Å; K455-E458 IonicContact NZ-OE1 3.86Å; K455-E458 PolarHBondContact NZ-OE1 2.98Å; K455-E458 IonicContact NZ-OE2 2.58Å; K455-E458 PolarHBondContact NZ-OE2 3.41Å; K456-E458 PolarHBondContact O-N 2.76Å; E458-N461 PolarHBondContact O-N 2.95Å; E458-Y462 PolarHBondContact O-N 3.09Å; E458-Y462 VanDerWaalsContact O-N 3.08Å
459N98.5Very high95.4Very high0 Ų059.4 Ų59.40%030%0.299CS..Hα-helixtrans-62.7-49175.3-72-2.2000111.8D422 A423 F427 N443 K455 K456 L457 N461 Y462 A463D422-N459 WeakPolarHBondContact O-CB 3.28Å; D422-N459 PolarHBondContact O-ND2 2.92Å; A423-N459 HydrophobicContact CB-CB 4.24Å; F427-N459 HydrophobicContact CE2-CB 3.85Å; F427-N459 HydrophobicContact CZ-CB 4.12Å; F427-N459 VanDerWaalsContact CZ-O 3.27Å; F427-N459 WeakPolarHBondContact CZ-O 3.13Å; N443-N459 WeakPolarHBondContact CB-OD1 3.41Å; N443-N459 PolarHBondContact N-OD1 3.49Å; N443-N459 PolarHBondContact ND2-OD1 3.36Å; N443-N459 PolarHBondContact O-ND2 2.82Å; K455-N459 PolarHBondContact O-N 3.2Å; K456-N459 VanDerWaalsContact O-CB 3.32Å; K456-N459 WeakPolarHBondContact O-CB 3.5Å; K456-N459 PolarHBondContact O-N 3.09Å; K456-N459 VanDerWaalsContact O-N 3.13Å; L457-N459 VanDerWaalsContact C-N 3.3Å; L457-N459 PolarHBondContact O-N 3.15Å; N459-N461 VanDerWaalsContact C-N 3.3Å; N459-N461 PolarHBondContact O-N 3.12Å; N459-Y462 PolarHBondContact O-N 3.38Å; N459-Y462 VanDerWaalsContact O-N 3.1Å; N459-A463 PolarHBondContact O-N 3.46Å
460C98.6Very high95.8Very high0 Ų054.5 Ų54.50%028%0.28CS..Hα-helixtrans-60.7-39.6179.8-65.80000112S421 K456 L457 Y462 A463 V464 G480 L483 N484S421-C460 PolarHBondContact O-SG 3.34Å; K456-C460 PolarHBondContact O-N 3.03Å; K456-C460 PolarHBondContact O-SG 3.33Å; K456-C460 VanDerWaalsContact O-SG 3.36Å; L457-C460 PolarHBondContact O-N 3.38Å; C460-Y462 VanDerWaalsContact C-N 3.34Å; C460-Y462 PolarHBondContact O-N 2.73Å; C460-A463 PolarHBondContact O-N 2.92Å; C460-V464 WeakPolarHBondContact O-CG2 3.34Å; C460-V464 PolarHBondContact O-N 2.95Å; C460-G480 WeakPolarHBondContact CB-O 3.21Å; C460-L483 HydrophobicContact CB-CB 4.07Å; C460-L483 HydrophobicContact CB-CD1 4.5Å; C460-N484 HydrophobicContact CB-CB 4.38Å
461N98.4Very high96.2Very high79 Ų7946.6 Ų46.642%0.42224%0.239SC..Hα-helixtrans-60.6-44.1173.5-76.3-35.7000111.6L457 E458 N459 V464 E465 G480L457-N461 WeakPolarHBondContact O-CB 3.36Å; L457-N461 PolarHBondContact O-N 3.19Å; L457-N461 PolarHBondContact O-ND2 3.09Å; E458-N461 PolarHBondContact O-N 2.95Å; N459-N461 VanDerWaalsContact C-N 3.3Å; N459-N461 PolarHBondContact O-N 3.12Å; N461-V464 PolarHBondContact O-N 2.74Å; N461-E465 PolarHBondContact O-N 3.04Å; N461-G480 VanDerWaalsContact OD1-CA 3.26Å; N461-G480 WeakPolarHBondContact OD1-CA 3.46Å; N461-G480 PolarHBondContact OD1-N 2.75Å
462Y98.5Very high96.4Very high14 Ų1451.9 Ų51.96%0.05525%0.25CS..Hα-helixtrans-65.4-39.1176.3-179.7-140.2000112.3F427 V437 D438 R441 V442 E458 N459 C460 V464 E465 L466F427-Y462 AromaticContact CE1-CD1 3.56Å; F427-Y462 HydrophobicContact CE1-CD1 3.56Å; F427-Y462 HydrophobicContact CE1-CE1 4.06Å; F427-Y462 HydrophobicContact CE1-CG 4.18Å; F427-Y462 AromaticContact CZ-CD1 3.63Å; F427-Y462 HydrophobicContact CZ-CD1 3.63Å; F427-Y462 HydrophobicContact CZ-CE1 4.43Å; F427-Y462 HydrophobicContact CZ-CG 4.29Å; V437-Y462 HydrophobicContact CG1-CE1 4.07Å; D438-Y462 WeakPolarHBondContact CB-OH 3.08Å; D438-Y462 PolarHBondContact N-OH 3.28Å; R441-Y462 HydrophobicContact CB-CD1 4.25Å; R441-Y462 HydrophobicContact CB-CE1 4.08Å; V442-Y462 HydrophobicContact CG2-CD1 4.22Å; V442-Y462 HydrophobicContact CG2-CE1 4.14Å; E458-Y462 PolarHBondContact O-N 3.09Å; E458-Y462 VanDerWaalsContact O-N 3.08Å; N459-Y462 PolarHBondContact O-N 3.38Å; N459-Y462 VanDerWaalsContact O-N 3.1Å; C460-Y462 VanDerWaalsContact C-N 3.34Å; C460-Y462 PolarHBondContact O-N 2.73Å; Y462-V464 VanDerWaalsContact C-N 3.33Å; Y462-V464 PolarHBondContact O-N 2.86Å; Y462-E465 HydrophobicContact CD2-CB 4.46Å; Y462-E465 WeakPolarHBondContact O-CB 3.43Å; Y462-E465 PolarHBondContact O-N 3.4Å; Y462-L466 HydrophobicContact CD2-CD1 4.47Å; Y462-L466 HydrophobicContact CD2-CG 4.08Å; Y462-L466 HydrophobicContact CE1-CD1 4.06Å; Y462-L466 HydrophobicContact CE2-CD1 3.99Å; Y462-L466 HydrophobicContact CE2-CD2 3.71Å; Y462-L466 HydrophobicContact CE2-CG 3.62Å; Y462-L466 WeakPolarHBondContact O-CG 3.45Å; Y462-L466 PolarHBondContact O-N 3.44Å
463A98.4Very high96.6Very high0 Ų052.6 Ų52.60%025%0.252CS..Hα-helixtrans-61.6-39.7175.100000112.3A423 I426 F427 Y430 N459 C460 G467A423-A463 HydrophobicContact CB-CB 3.8Å; I426-A463 HydrophobicContact CG2-CB 4.08Å; F427-A463 HydrophobicContact CD1-CB 4.47Å; F427-A463 HydrophobicContact CE1-CB 3.8Å; F427-A463 HydrophobicContact CZ-CB 4.16Å; Y430-A463 HydrophobicContact CE2-CB 4.23Å; Y430-A463 WeakPolarHBondContact CE2-O 3.34Å; Y430-A463 PolarHBondContact OH-O 3.45Å; N459-A463 PolarHBondContact O-N 3.46Å; C460-A463 PolarHBondContact O-N 2.92Å; A463-G467 PolarHBondContact O-N 3.26Å; A463-G467 VanDerWaalsContact O-N 3.09Å
464V98.1Very high96.6Very high7 Ų751.9 Ų51.94%0.04225%0.254CS..Hα-helixtrans-68.9-39.2174.3173.70000111.5C460 N461 Y462 G467 K468 L475 I478 L483C460-V464 WeakPolarHBondContact O-CG2 3.34Å; C460-V464 PolarHBondContact O-N 2.95Å; N461-V464 PolarHBondContact O-N 2.74Å; Y462-V464 VanDerWaalsContact C-N 3.33Å; Y462-V464 PolarHBondContact O-N 2.86Å; V464-G467 PolarHBondContact O-N 2.98Å; V464-K468 HydrophobicContact CG1-CD 4.03Å; V464-K468 HydrophobicContact CG1-CG 4.46Å; V464-K468 WeakPolarHBondContact O-CG 3.42Å; V464-K468 PolarHBondContact O-N 3.31Å; V464-L475 HydrophobicContact CG1-CD1 4.31Å; V464-I478 WeakPolarHBondContact CG1-O 3.4Å; V464-I478 HydrophobicContact CG2-CG2 4.29Å; V464-L483 HydrophobicContact CG2-CD1 3.65Å; V464-L483 HydrophobicContact CG2-CG 4.42Å
465E97.7Very high96.4Very high73 Ų7346.8 Ų46.834%0.34123%0.229SC..Hα-helixtrans-57.6-49174.1-174.5-163.7145.900111.1R441 N461 Y462 G467 K468 N469R441-E465 IonicContact CZ-OE2 3.74Å; R441-E465 IonicContact NH1-OE1 2.89Å; R441-E465 PolarHBondContact NH1-OE1 2.65Å; R441-E465 IonicContact NH1-OE2 3.12Å; R441-E465 IonicContact NH2-OE1 3.36Å; R441-E465 IonicContact NH2-OE2 2.63Å; R441-E465 PolarHBondContact NH2-OE2 3.38Å; N461-E465 PolarHBondContact O-N 3.04Å; Y462-E465 HydrophobicContact CD2-CB 4.46Å; Y462-E465 WeakPolarHBondContact O-CB 3.43Å; Y462-E465 PolarHBondContact O-N 3.4Å; E465-G467 VanDerWaalsContact C-N 3.34Å; E465-G467 PolarHBondContact O-N 2.87Å; E465-K468 PolarHBondContact O-N 3.03Å; E465-N469 WeakPolarHBondContact CG-ND2 3.46Å; E465-N469 VanDerWaalsContact O-CB 3.24Å; E465-N469 WeakPolarHBondContact O-CB 3.2Å; E465-N469 PolarHBondContact O-N 3.27Å
466L97.9Very high96Very high5 Ų549.9 Ų49.93%0.02625%0.253CS..Hα-helixtrans-59.6-44.4176-71.7177000111.8F427 Y430 V437 Y462 Q470 A471F427-L466 HydrophobicContact CD1-CD1 4.06Å; F427-L466 HydrophobicContact CE1-CD1 4.05Å; Y430-L466 HydrophobicContact CD2-CB 4.37Å; Y430-L466 HydrophobicContact CD2-CD1 4.1Å; Y430-L466 HydrophobicContact CE1-CB 4.49Å; Y430-L466 HydrophobicContact CE2-CB 4.02Å; Y430-L466 HydrophobicContact CE2-CD1 4.4Å; V437-L466 HydrophobicContact CG1-CD1 4.37Å; V437-L466 HydrophobicContact CG2-CD1 4.01Å; Y462-L466 HydrophobicContact CD2-CD1 4.47Å; Y462-L466 HydrophobicContact CD2-CG 4.08Å; Y462-L466 HydrophobicContact CE1-CD1 4.06Å; Y462-L466 HydrophobicContact CE2-CD1 3.99Å; Y462-L466 HydrophobicContact CE2-CD2 3.71Å; Y462-L466 HydrophobicContact CE2-CG 3.62Å; Y462-L466 WeakPolarHBondContact O-CG 3.45Å; Y462-L466 PolarHBondContact O-N 3.44Å; L466-Q470 HydrophobicContact CD2-CG 3.83Å; L466-Q470 WeakPolarHBondContact O-CA 3.3Å; L466-Q470 WeakPolarHBondContact O-CB 3.36Å; L466-Q470 PolarHBondContact O-N 3.49Å; L466-A471 PolarHBondContact O-N 2.89Å
467G97Very high95.6Very high0 Ų050.2 Ų50.20%027%0.273CS..Hα-helixtrans-57.6-51.7177.300000112.1Y430 A463 V464 E465 A471 K472 F473Y430-G467 WeakPolarHBondContact OH-CA 3.24Å; Y430-G467 PolarHBondContact OH-N 2.67Å; Y430-G467 VanDerWaalsContact OH-N 3.12Å; A463-G467 PolarHBondContact O-N 3.26Å; A463-G467 VanDerWaalsContact O-N 3.09Å; V464-G467 PolarHBondContact O-N 2.98Å; E465-G467 VanDerWaalsContact C-N 3.34Å; E465-G467 PolarHBondContact O-N 2.87Å; G467-A471 CarbonylContact O-C 3.56Å; G467-K472 PolarHBondContact O-N 2.85Å; G467-F473 WeakPolarHBondContact O-CB 3.46Å; G467-F473 PolarHBondContact O-N 2.97Å
468K95.6Very high95.5Very high85 Ų8548.3 Ų48.337%0.3726%0.263SS..Hα-helixtrans-67.2-50-179.5-70.5177.2-177.2169.30112V464 E465 L475 I478V464-K468 HydrophobicContact CG1-CD 4.03Å; V464-K468 HydrophobicContact CG1-CG 4.46Å; V464-K468 WeakPolarHBondContact O-CG 3.42Å; V464-K468 PolarHBondContact O-N 3.31Å; E465-K468 PolarHBondContact O-N 3.03Å; K468-L475 HydrophobicContact CD-CB 4.41Å; K468-L475 WeakPolarHBondContact CE-O 3.46Å; K468-L475 HydrophobicContact CG-CB 3.9Å; K468-L475 HydrophobicContact CG-CD1 4.12Å; K468-L475 HydrophobicContact CG-CG 4.36Å; K468-L475 PolarHBondContact NZ-O 3.22Å; K468-I478 PolarHBondContact NZ-O 3.18Å
469N94.7Very high95.4Very high88 Ų8846 Ų4647%0.47126%0.26SS..Hα-helixtrans-89.9-40.1-164.5-63.7-20000113E465 K472E465-N469 WeakPolarHBondContact CG-ND2 3.46Å; E465-N469 VanDerWaalsContact O-CB 3.24Å; E465-N469 WeakPolarHBondContact O-CB 3.2Å; E465-N469 PolarHBondContact O-N 3.27Å; N469-K472 VanDerWaalsContact O-CE 3.24Å; N469-K472 WeakPolarHBondContact O-CE 3.32Å; N469-K472 PolarHBondContact O-NZ 2.74Å
470Q93.6Very high95.3Very high124 Ų12446.1 Ų46.158%0.57926%0.26SS*.THydrogen-bonded Turntrans-96.5-53.7-176.4-58.4-66.6-10.800111V435 L466 K472V435-Q470 HydrophobicContact CG1-CB 3.85Å; L466-Q470 HydrophobicContact CD2-CG 3.83Å; L466-Q470 WeakPolarHBondContact O-CA 3.3Å; L466-Q470 WeakPolarHBondContact O-CB 3.36Å; L466-Q470 PolarHBondContact O-N 3.49Å; Q470-K472 VanDerWaalsContact C-N 3.3Å; Q470-K472 PolarHBondContact O-N 3.35Å
471A92.7Very high95.3Very high3 Ų351.3 Ų51.33%0.02528%0.284CS..SBendtrans-77.2-15.8-175.900000113.9Y430 V435 L466 G467 F473 R501Y430-A471 HydrophobicContact CE1-CB 4.17Å; V435-A471 HydrophobicContact CG2-CB 3.88Å; L466-A471 PolarHBondContact O-N 2.89Å; G467-A471 CarbonylContact O-C 3.56Å; A471-F473 VanDerWaalsContact C-N 3.32Å; A471-F473 HydrophobicContact CB-CD1 3.81Å; A471-F473 HydrophobicContact CB-CD2 4.01Å; A471-F473 HydrophobicContact CB-CE1 3.74Å; A471-F473 HydrophobicContact CB-CE2 3.93Å; A471-F473 HydrophobicContact CB-CG 3.95Å; A471-F473 HydrophobicContact CB-CZ 3.8Å; A471-R501 PolarHBondContact O-NH2 3.25Å
472K93.5Very high95.2Very high152 Ų15249.4 Ų49.466%0.66127%0.274SS*.  trans58.939.7-176.7-52.8-55.6-171.5-171.10113.2G467 N469 Q470G467-K472 PolarHBondContact O-N 2.85Å; N469-K472 VanDerWaalsContact O-CE 3.24Å; N469-K472 WeakPolarHBondContact O-CE 3.32Å; N469-K472 PolarHBondContact O-NZ 2.74Å; Q470-K472 VanDerWaalsContact C-N 3.3Å; Q470-K472 PolarHBondContact O-N 3.35Å
473F94.9Very high95.1Very high21 Ų2148.9 Ų48.99%0.09227%0.272CS..  trans-74.1147.4175.7-73.4-6.8000112.1Y430 I433 G467 A471 L475 L494 Q497 L498 R501Y430-F473 HydrophobicContact CE1-CD2 4.46Å; Y430-F473 AromaticContact CE1-CE2 3.89Å; Y430-F473 HydrophobicContact CE1-CE2 3.89Å; I433-F473 HydrophobicContact CD1-CE2 4.42Å; I433-F473 HydrophobicContact CD1-CZ 3.75Å; G467-F473 WeakPolarHBondContact O-CB 3.46Å; G467-F473 PolarHBondContact O-N 2.97Å; A471-F473 VanDerWaalsContact C-N 3.32Å; A471-F473 HydrophobicContact CB-CD1 3.81Å; A471-F473 HydrophobicContact CB-CD2 4.01Å; A471-F473 HydrophobicContact CB-CE1 3.74Å; A471-F473 HydrophobicContact CB-CE2 3.93Å; A471-F473 HydrophobicContact CB-CG 3.95Å; A471-F473 HydrophobicContact CB-CZ 3.8Å; F473-L475 HydrophobicContact CB-CD1 4.11Å; F473-L475 HydrophobicContact CB-CD2 4.04Å; F473-L475 HydrophobicContact CB-CG 3.74Å; F473-L475 PolarHBondContact O-N 3.22Å; F473-L494 HydrophobicContact CD2-CD1 3.98Å; F473-L494 HydrophobicContact CE2-CD1 4.32Å; F473-Q497 VanDerWaalsContact CA-OE1 3.25Å; F473-Q497 HydrophobicContact CD1-CB 4.15Å; F473-Q497 HydrophobicContact CD2-CB 4.13Å; F473-Q497 HydrophobicContact CE1-CB 4.24Å; F473-Q497 HydrophobicContact CE2-CB 4.23Å; F473-Q497 HydrophobicContact CG-CB 4.09Å; F473-Q497 HydrophobicContact CZ-CB 4.28Å; F473-L498 HydrophobicContact CE2-CD2 3.61Å; F473-L498 HydrophobicContact CE2-CG 3.94Å; F473-L498 HydrophobicContact CZ-CD2 3.98Å; F473-L498 HydrophobicContact CZ-CG 4.4Å; F473-R501 HydrophobicContact CE1-CB 3.93Å; F473-R501 HydrophobicContact CE1-CG 4.35Å; F473-R501 HydrophobicContact CZ-CB 4.08Å
474S93.3Very high95Very high84 Ų8449.6 Ų49.659%0.58728%0.276SS*.  trans-85.890.5172.4-173.40000108.6Q497S474-Q497 PolarHBondContact O-NE2 3.45Å
475L92.8Very high94.9Very high4 Ų455.5 Ų55.52%0.02130%0.303CS..  trans-112.241-177.7-57.8-176.5000111.2V464 K468 F473 G477 I478 L494V464-L475 HydrophobicContact CG1-CD1 4.31Å; K468-L475 HydrophobicContact CD-CB 4.41Å; K468-L475 WeakPolarHBondContact CE-O 3.46Å; K468-L475 HydrophobicContact CG-CB 3.9Å; K468-L475 HydrophobicContact CG-CD1 4.12Å; K468-L475 HydrophobicContact CG-CG 4.36Å; K468-L475 PolarHBondContact NZ-O 3.22Å; F473-L475 HydrophobicContact CB-CD1 4.11Å; F473-L475 HydrophobicContact CB-CD2 4.04Å; F473-L475 HydrophobicContact CB-CG 3.74Å; F473-L475 PolarHBondContact O-N 3.22Å; L475-G477 PolarHBondContact O-N 3.07Å; L475-I478 HydrophobicContact CB-CB 4.19Å; L475-I478 HydrophobicContact CB-CD1 4.39Å; L475-I478 HydrophobicContact CD2-CD1 3.81Å; L475-I478 PolarHBondContact O-N 2.96Å; L475-L494 HydrophobicContact CD1-CD1 4.03Å; L475-L494 HydrophobicContact CD2-CD1 3.8Å
476V88.1Confident94.6Very high130 Ų13052.7 Ų52.779%0.78829%0.294SS*.THydrogen-bonded Turntrans-64.3125.3177.8-178.10000108.7I478V476-I478 VanDerWaalsContact C-N 3.26Å; V476-I478 PolarHBondContact O-N 3.5Å
477G89.5Confident94.4Very high65 Ų6555.3 Ų55.367%0.6731%0.308SS*.THydrogen-bonded Turntrans76.54.1-177.800000115.4L475L475-G477 PolarHBondContact O-N 3.07Å
478I94.6Very high94.2Very high8 Ų859.8 Ų59.84%0.04133%0.325CS..  trans-101.4121.7174.7-55.3175.2000109.2V464 K468 L475 V476 L490 A493V464-I478 WeakPolarHBondContact CG1-O 3.4Å; V464-I478 HydrophobicContact CG2-CG2 4.29Å; K468-I478 PolarHBondContact NZ-O 3.18Å; L475-I478 HydrophobicContact CB-CB 4.19Å; L475-I478 HydrophobicContact CB-CD1 4.39Å; L475-I478 HydrophobicContact CD2-CD1 3.81Å; L475-I478 PolarHBondContact O-N 2.96Å; V476-I478 VanDerWaalsContact C-N 3.26Å; V476-I478 PolarHBondContact O-N 3.5Å; I478-L490 HydrophobicContact CD1-CB 4.46Å; I478-L490 HydrophobicContact CD1-CD2 4.46Å; I478-L490 HydrophobicContact CG1-CB 4.14Å; I478-L490 HydrophobicContact CG1-CD2 3.91Å; I478-L490 HydrophobicContact CG1-CG 4.39Å; I478-A493 HydrophobicContact CD1-CB 4.2Å
479G96.4Very high94.1Very high25 Ų2560.6 Ų60.626%0.25834%0.337SS..  trans-114.4172.5171.700000112.5Q481 D482G479-Q481 PolarHBondContact O-N 2.82Å; G479-D482 WeakPolarHBondContact CA-OD2 3.49Å; G479-D482 PolarHBondContact N-OD2 2.72Å; G479-D482 PolarHBondContact O-N 2.9Å
480G97.3Very high94.2Very high1 Ų158.3 Ų58.31%0.0132%0.324CS..Hα-helixtrans-67.9-27.3177.200000113C460 N461 L483 N484C460-G480 WeakPolarHBondContact CB-O 3.21Å; N461-G480 VanDerWaalsContact OD1-CA 3.26Å; N461-G480 WeakPolarHBondContact OD1-CA 3.46Å; N461-G480 PolarHBondContact OD1-N 2.75Å; G480-L483 PolarHBondContact O-N 3Å; G480-N484 WeakPolarHBondContact O-CB 3.4Å; G480-N484 PolarHBondContact O-N 3.22Å
481Q97.4Very high94.3Very high110 Ų11052.5 Ų52.551%0.51430%0.297SS..Hα-helixtrans-62.4-43.4176-175.9171.7-1.600111.5L457 G479 L483 N484 E485L457-Q481 HydrophobicContact CD1-CB 4.09Å; G479-Q481 PolarHBondContact O-N 2.82Å; Q481-L483 VanDerWaalsContact C-N 3.27Å; Q481-L483 PolarHBondContact O-N 3.45Å; Q481-N484 PolarHBondContact O-N 3.18Å; Q481-N484 VanDerWaalsContact O-N 3.13Å; Q481-E485 HydrophobicContact CG-CG 4.17Å; Q481-E485 VanDerWaalsContact CG-OE1 3.25Å; Q481-E485 WeakPolarHBondContact CG-OE1 3.24Å; Q481-E485 PolarHBondContact NE2-OE1 2.91Å; Q481-E485 WeakPolarHBondContact O-CB 3.1Å; Q481-E485 WeakPolarHBondContact O-CG 3.1Å; Q481-E485 PolarHBondContact O-N 3.14Å
482D97.2Very high94.4Very high38 Ų3853.3 Ų53.320%0.20330%0.301CS..Hα-helixtrans-59.7-38.4179.1-55.8-67.6000112.4G479 G486 N487 L490G479-D482 WeakPolarHBondContact CA-OD2 3.49Å; G479-D482 PolarHBondContact N-OD2 2.72Å; G479-D482 PolarHBondContact O-N 2.9Å; D482-G486 PolarHBondContact O-N 3.19Å; D482-N487 HydrophobicContact CB-CB 4.11Å; D482-N487 VanDerWaalsContact O-CB 3.25Å; D482-N487 WeakPolarHBondContact O-CB 3.35Å; D482-N487 PolarHBondContact O-N 3.03Å; D482-L490 HydrophobicContact CB-CB 4.28Å; D482-L490 HydrophobicContact CB-CD1 3.66Å; D482-L490 VanDerWaalsContact CG-CD1 3.4Å; D482-L490 WeakPolarHBondContact OD1-CD1 3.29Å
483L96.4Very high94.5Very high3 Ų347.6 Ų47.62%0.01628%0.283CS..Hα-helixtrans-73.1-41.9176.2-59.7-180000111.6I426 C460 V464 G480 Q481 E485 G486 L494I426-L483 HydrophobicContact CD1-CD1 4.2Å; C460-L483 HydrophobicContact CB-CB 4.07Å; C460-L483 HydrophobicContact CB-CD1 4.5Å; V464-L483 HydrophobicContact CG2-CD1 3.65Å; V464-L483 HydrophobicContact CG2-CG 4.42Å; G480-L483 PolarHBondContact O-N 3Å; Q481-L483 VanDerWaalsContact C-N 3.27Å; Q481-L483 PolarHBondContact O-N 3.45Å; L483-E485 VanDerWaalsContact C-N 3.33Å; L483-E485 PolarHBondContact O-N 2.83Å; L483-G486 PolarHBondContact O-N 3.36Å; L483-L494 HydrophobicContact CD1-CD2 3.68Å; L483-L494 HydrophobicContact CD2-CD2 3.89Å; L483-L494 HydrophobicContact CG-CD2 4.45Å
484N97Very high94.6Very high16 Ų1646.7 Ų46.79%0.08628%0.279CS..Hα-helixtrans-67.4-34.1-178.7179.1-125.1000112.5S421 N453 K456 L457 C460 G480 Q481 G486S421-N484 PolarHBondContact O-ND2 3.13Å; N453-N484 PolarHBondContact ND2-OD1 3.32Å; N453-N484 VanDerWaalsContact ND2-OD1 3.14Å; N453-N484 PolarHBondContact OD1-ND2 2.88Å; N453-N484 PolarHBondContact OD1-OD1 3.29Å; K456-N484 VanDerWaalsContact CB-ND2 3.3Å; K456-N484 WeakPolarHBondContact CB-ND2 3.21Å; L457-N484 HydrophobicContact CD1-CB 4.18Å; C460-N484 HydrophobicContact CB-CB 4.38Å; G480-N484 WeakPolarHBondContact O-CB 3.4Å; G480-N484 PolarHBondContact O-N 3.22Å; Q481-N484 PolarHBondContact O-N 3.18Å; Q481-N484 VanDerWaalsContact O-N 3.13Å; N484-G486 VanDerWaalsContact C-N 3.31Å
485E94.6Very high94.7Very high131 Ų13142.8 Ų42.861%0.61225%0.251SS*.THydrogen-bonded Turntrans-83.6-4.5175.2-67.3175.7176.500113Q481 L483Q481-E485 HydrophobicContact CG-CG 4.17Å; Q481-E485 VanDerWaalsContact CG-OE1 3.25Å; Q481-E485 WeakPolarHBondContact CG-OE1 3.24Å; Q481-E485 PolarHBondContact NE2-OE1 2.91Å; Q481-E485 WeakPolarHBondContact O-CB 3.1Å; Q481-E485 WeakPolarHBondContact O-CG 3.1Å; Q481-E485 PolarHBondContact O-N 3.14Å; L483-E485 VanDerWaalsContact C-N 3.33Å; L483-E485 PolarHBondContact O-N 2.83Å
486G92.5Very high94.8Very high13 Ų1344 Ų4413%0.13426%0.255CS..THydrogen-bonded Turntrans73.233.4177.100000114.2D482 L483 N484 R488D482-G486 PolarHBondContact O-N 3.19Å; L483-G486 PolarHBondContact O-N 3.36Å; N484-G486 VanDerWaalsContact C-N 3.31Å; G486-R488 PolarHBondContact O-N 3.41Å; G486-R488 VanDerWaalsContact O-N 3.08Å
487N94.5Very high95.1Very high61 Ų6139.8 Ų39.833%0.32623%0.227SC..  trans-57.7116.1177.9-176.2-59.9000110.8D482 T489 L490 T491D482-N487 HydrophobicContact CB-CB 4.11Å; D482-N487 VanDerWaalsContact O-CB 3.25Å; D482-N487 WeakPolarHBondContact O-CB 3.35Å; D482-N487 PolarHBondContact O-N 3.03Å; N487-T489 PolarHBondContact O-N 3.23Å; N487-T489 PolarHBondContact OD1-N 2.91Å; N487-L490 HydrophobicContact CB-CB 4.33Å; N487-L490 PolarHBondContact O-N 2.77Å; N487-L490 WeakPolarHBondContact OD1-CG 3.36Å; N487-L490 PolarHBondContact OD1-N 3.15Å; N487-L490 VanDerWaalsContact OD1-N 3.15Å; N487-T491 WeakPolarHBondContact O-CB 3.32Å; N487-T491 PolarHBondContact O-N 3.28Å; N487-T491 PolarHBondContact O-OG1 2.78Å
488R92.3Very high95.4Very high94 Ų9436.7 Ų36.736%0.35520%0.195SC..Hα-helixtrans-55.4-56.1-171.3-63-176.173.3172.43.1112.6E391 E397 Y417 G486 L490 L492E391-R488 IonicContact OE2-NH1 2.8Å; E391-R488 PolarHBondContact OE2-NH1 2.85Å; E397-R488 IonicContact OE1-CZ 2.78Å; E397-R488 IonicContact OE1-NE 3.98Å; E397-R488 PolarHBondContact OE1-NE 3.38Å; E397-R488 IonicContact OE1-NH2 2.72Å; E397-R488 PolarHBondContact OE1-NH2 3.04Å; E397-R488 IonicContact OE2-NH2 2.93Å; Y417-R488 HydrophobicContact CD2-CG 4.08Å; Y417-R488 VanDerWaalsContact CE1-CA 3.43Å; Y417-R488 HydrophobicContact CE1-CB 4.04Å; Y417-R488 HydrophobicContact CE1-CG 4.14Å; Y417-R488 HydrophobicContact CE2-CB 4.24Å; Y417-R488 HydrophobicContact CE2-CG 3.61Å; Y417-R488 HydrophobicContact CG-CG 4.48Å; Y417-R488 WeakPolarHBondContact OH-CB 3.23Å; G486-R488 PolarHBondContact O-N 3.41Å; G486-R488 VanDerWaalsContact O-N 3.08Å; R488-L490 PolarHBondContact O-N 3.06Å; R488-L492 WeakPolarHBondContact O-CB 3.34Å; R488-L492 VanDerWaalsContact O-CG 3.23Å; R488-L492 WeakPolarHBondContact O-CG 3.46Å; R488-L492 PolarHBondContact O-N 2.64Å
489T93.1Very high95.4Very high102 Ų10236.5 Ų36.563%0.62619%0.194SC*.Hα-helixtrans-64.1-45.4-174.6-55.50000112.2N487 A493N487-T489 PolarHBondContact O-N 3.23Å; N487-T489 PolarHBondContact OD1-N 2.91Å; T489-A493 WeakPolarHBondContact O-CB 3.43Å; T489-A493 PolarHBondContact O-N 3.2Å
490L96.1Very high95.2Very high39 Ų3939.3 Ų39.320%0.20420%0.197CC..Hα-helixtrans-75.5-34.7-174.6-58.7-178.2000111.8I478 D482 N487 R488 A493 L494I478-L490 HydrophobicContact CD1-CB 4.46Å; I478-L490 HydrophobicContact CD1-CD2 4.46Å; I478-L490 HydrophobicContact CG1-CB 4.14Å; I478-L490 HydrophobicContact CG1-CD2 3.91Å; I478-L490 HydrophobicContact CG1-CG 4.39Å; D482-L490 HydrophobicContact CB-CB 4.28Å; D482-L490 HydrophobicContact CB-CD1 3.66Å; D482-L490 VanDerWaalsContact CG-CD1 3.4Å; D482-L490 WeakPolarHBondContact OD1-CD1 3.29Å; N487-L490 HydrophobicContact CB-CB 4.33Å; N487-L490 PolarHBondContact O-N 2.77Å; N487-L490 WeakPolarHBondContact OD1-CG 3.36Å; N487-L490 PolarHBondContact OD1-N 3.15Å; N487-L490 VanDerWaalsContact OD1-N 3.15Å; R488-L490 PolarHBondContact O-N 3.06Å; L490-A493 PolarHBondContact O-N 3.21Å; L490-L494 PolarHBondContact O-N 3.4Å; L490-L494 VanDerWaalsContact O-N 3.15Å
491T95.9Very high94.9Very high3 Ų342.8 Ų42.82%0.01821%0.21CC..Hα-helixtrans-64-48.6172.9-58.80000110.8Y417 L420 N487 A493 L494 I495Y417-T491 HydrophobicContact CD1-CG2 3.99Å; Y417-T491 HydrophobicContact CE1-CG2 4.17Å; L420-T491 HydrophobicContact CD1-CG2 3.97Å; N487-T491 WeakPolarHBondContact O-CB 3.32Å; N487-T491 PolarHBondContact O-N 3.28Å; N487-T491 PolarHBondContact O-OG1 2.78Å; T491-A493 VanDerWaalsContact C-N 3.3Å; T491-A493 PolarHBondContact O-N 2.76Å; T491-L494 PolarHBondContact O-N 2.95Å; T491-I495 HydrophobicContact CG2-CD1 3.72Å; T491-I495 HydrophobicContact CG2-CG1 4.47Å; T491-I495 WeakPolarHBondContact O-CD1 3.33Å; T491-I495 VanDerWaalsContact O-CG1 3.28Å; T491-I495 WeakPolarHBondContact O-CG1 3.47Å; T491-I495 PolarHBondContact O-N 2.9Å
492L95.1Very high94.5Very high19 Ų1939.2 Ų39.210%0.09919%0.192CC..Hα-helixtrans-59.9-39175.8-70.7174.9000112.4E397 F400 L416 Y417 R488 L494 I495 W496E397-L492 HydrophobicContact CG-CD1 4.37Å; E397-L492 HydrophobicContact CG-CD2 3.93Å; F400-L492 HydrophobicContact CD2-CD2 3.53Å; F400-L492 HydrophobicContact CE2-CB 4.38Å; F400-L492 HydrophobicContact CE2-CD2 3.79Å; L416-L492 HydrophobicContact CD2-CD2 3.53Å; Y417-L492 HydrophobicContact CE1-CG 4.4Å; Y417-L492 WeakPolarHBondContact OH-CD1 3.31Å; R488-L492 WeakPolarHBondContact O-CB 3.34Å; R488-L492 VanDerWaalsContact O-CG 3.23Å; R488-L492 WeakPolarHBondContact O-CG 3.46Å; R488-L492 PolarHBondContact O-N 2.64Å; L492-L494 PolarHBondContact O-N 2.88Å; L492-I495 PolarHBondContact O-N 3.43Å; L492-W496 WeakPolarHBondContact O-CB 3.36Å; L492-W496 PolarHBondContact O-N 2.77Å
493A95.1Very high94Very high33 Ų3337.9 Ų37.927%0.27319%0.185SC..Hα-helixtrans-62-41.6177.100000112.5I478 T489 L490 T491 Q497I478-A493 HydrophobicContact CD1-CB 4.2Å; T489-A493 WeakPolarHBondContact O-CB 3.43Å; T489-A493 PolarHBondContact O-N 3.2Å; L490-A493 PolarHBondContact O-N 3.21Å; T491-A493 VanDerWaalsContact C-N 3.3Å; T491-A493 PolarHBondContact O-N 2.76Å; A493-Q497 WeakPolarHBondContact O-CG 3.46Å; A493-Q497 PolarHBondContact O-N 2.81Å
494L96.8Very high93.4Very high2 Ų238.6 Ų38.61%0.0119%0.189CC..Hα-helixtrans-66.8-47.1175.5176.160.8000111.6I426 F473 L475 L483 L490 T491 L492 W496 Q497 L498I426-L494 HydrophobicContact CD1-CD2 4.09Å; I426-L494 HydrophobicContact CG2-CD2 4.4Å; F473-L494 HydrophobicContact CD2-CD1 3.98Å; F473-L494 HydrophobicContact CE2-CD1 4.32Å; L475-L494 HydrophobicContact CD1-CD1 4.03Å; L475-L494 HydrophobicContact CD2-CD1 3.8Å; L483-L494 HydrophobicContact CD1-CD2 3.68Å; L483-L494 HydrophobicContact CD2-CD2 3.89Å; L483-L494 HydrophobicContact CG-CD2 4.45Å; L490-L494 PolarHBondContact O-N 3.4Å; L490-L494 VanDerWaalsContact O-N 3.15Å; T491-L494 PolarHBondContact O-N 2.95Å; L492-L494 PolarHBondContact O-N 2.88Å; L494-W496 VanDerWaalsContact C-N 3.31Å; L494-W496 PolarHBondContact O-N 3.35Å; L494-Q497 PolarHBondContact O-N 3.13Å; L494-Q497 VanDerWaalsContact O-N 3.09Å; L494-L498 HydrophobicContact CG-CD1 4.26Å; L494-L498 PolarHBondContact O-N 3.18Å
495I96.6Very high92.8Very high2 Ų238.7 Ų38.71%0.0119%0.189CC..Hα-helixtrans-61.9-41.2-179-61.1156.5000111.2F400 W403 M404 L416 L420 T491 L492 Q497 L498 M499F400-I495 HydrophobicContact CB-CG2 3.74Å; F400-I495 HydrophobicContact CD1-CG2 4.13Å; F400-I495 HydrophobicContact CD2-CB 4.04Å; F400-I495 HydrophobicContact CD2-CD1 4.5Å; F400-I495 HydrophobicContact CD2-CG2 3.76Å; F400-I495 HydrophobicContact CE2-CB 4.43Å; F400-I495 HydrophobicContact CE2-CG2 4.41Å; F400-I495 HydrophobicContact CG-CB 4.4Å; F400-I495 HydrophobicContact CG-CG2 3.61Å; W403-I495 HydrophobicContact CE3-CG2 4.23Å; W403-I495 HydrophobicContact CZ3-CG2 3.91Å; M404-I495 HydrophobicContact SD-CG2 4.43Å; L416-I495 HydrophobicContact CD1-CD1 3.67Å; L416-I495 HydrophobicContact CD2-CD1 3.75Å; L416-I495 HydrophobicContact CG-CD1 3.88Å; L420-I495 HydrophobicContact CD1-CD1 3.64Å; L420-I495 HydrophobicContact CD1-CG1 4.06Å; T491-I495 HydrophobicContact CG2-CD1 3.72Å; T491-I495 HydrophobicContact CG2-CG1 4.47Å; T491-I495 WeakPolarHBondContact O-CD1 3.33Å; T491-I495 VanDerWaalsContact O-CG1 3.28Å; T491-I495 WeakPolarHBondContact O-CG1 3.47Å; T491-I495 PolarHBondContact O-N 2.9Å; L492-I495 PolarHBondContact O-N 3.43Å; I495-Q497 VanDerWaalsContact C-N 3.3Å; I495-Q497 PolarHBondContact O-N 3.43Å; I495-L498 WeakPolarHBondContact O-CB 3.42Å; I495-L498 PolarHBondContact O-N 2.74Å; I495-L498 VanDerWaalsContact O-N 3.17Å; I495-M499 PolarHBondContact O-N 2.9Å
496W95Very high92.1Very high29 Ų2935.1 Ų35.111%0.1117%0.174CC..Hα-helixtrans-56.2-44.2173.5167-118000112.2F400 L492 L494 L498 M499 R500 K610 M613 T614F400-W496 HydrophobicContact CE1-CE3 4.24Å; F400-W496 HydrophobicContact CE2-CB 4.35Å; F400-W496 HydrophobicContact CZ-CB 3.84Å; F400-W496 HydrophobicContact CZ-CE3 4.22Å; L492-W496 WeakPolarHBondContact O-CB 3.36Å; L492-W496 PolarHBondContact O-N 2.77Å; L494-W496 VanDerWaalsContact C-N 3.31Å; L494-W496 PolarHBondContact O-N 3.35Å; W496-L498 VanDerWaalsContact C-N 3.34Å; W496-L498 PolarHBondContact O-N 3.4Å; W496-M499 PolarHBondContact O-N 3.47Å; W496-R500 HydrophobicContact CH2-CB 4.5Å; W496-R500 HydrophobicContact CZ2-CB 4.32Å; W496-R500 VanDerWaalsContact O-CB 3.28Å; W496-R500 WeakPolarHBondContact O-CB 3.42Å; W496-R500 PolarHBondContact O-N 3.32Å; W496-K610 HydrophobicContact CD2-CB 4.3Å; W496-K610 HydrophobicContact CD2-CD 3.66Å; W496-K610 HydrophobicContact CD2-CG 4.02Å; W496-K610 HydrophobicContact CE3-CB 4.03Å; W496-K610 HydrophobicContact CE3-CD 3.96Å; W496-K610 HydrophobicContact CE3-CG 4.26Å; W496-K610 HydrophobicContact CG-CD 4.01Å; W496-K610 VanDerWaalsContact CH2-CA 3.44Å; W496-K610 HydrophobicContact CH2-CB 3.43Å; W496-K610 VanDerWaalsContact CH2-CB 3.43Å; W496-K610 HydrophobicContact CH2-CG 3.91Å; W496-K610 VanDerWaalsContact CH2-O 3.25Å; W496-K610 WeakPolarHBondContact CH2-O 3.42Å; W496-K610 HydrophobicContact CZ2-CB 3.71Å; W496-K610 HydrophobicContact CZ2-CD 4.23Å; W496-K610 HydrophobicContact CZ2-CG 3.61Å; W496-K610 HydrophobicContact CZ3-CB 3.61Å; W496-K610 HydrophobicContact CZ3-CD 4.38Å; W496-K610 HydrophobicContact CZ3-CG 4.22Å; W496-M613 HydrophobicContact CH2-CE 3.52Å; W496-M613 HydrophobicContact CZ2-CE 3.79Å; W496-T614 HydrophobicContact CH2-CG2 4.23Å; W496-T614 HydrophobicContact CZ3-CG2 4.03Å
497Q94.7Very high91.4Very high41 Ų4134.6 Ų34.619%0.19217%0.168CC..Hα-helixtrans-67.8-35.3178.7-68.3-169.320.300112.3F473 S474 A493 L494 I495 R501F473-Q497 VanDerWaalsContact CA-OE1 3.25Å; F473-Q497 HydrophobicContact CD1-CB 4.15Å; F473-Q497 HydrophobicContact CD2-CB 4.13Å; F473-Q497 HydrophobicContact CE1-CB 4.24Å; F473-Q497 HydrophobicContact CE2-CB 4.23Å; F473-Q497 HydrophobicContact CG-CB 4.09Å; F473-Q497 HydrophobicContact CZ-CB 4.28Å; S474-Q497 PolarHBondContact O-NE2 3.45Å; A493-Q497 WeakPolarHBondContact O-CG 3.46Å; A493-Q497 PolarHBondContact O-N 2.81Å; L494-Q497 PolarHBondContact O-N 3.13Å; L494-Q497 VanDerWaalsContact O-N 3.09Å; I495-Q497 VanDerWaalsContact C-N 3.3Å; I495-Q497 PolarHBondContact O-N 3.43Å; Q497-R501 WeakPolarHBondContact O-CB 3.24Å; Q497-R501 PolarHBondContact O-N 2.89Å
498L96.1Very high90.5Very high1 Ų133.8 Ų33.81%0.00516%0.162CC..Hα-helixtrans-61.9-50.3171.4-68.7166.2000111.3W403 I426 L429 Y430 I433 F473 L494 I495 W496 R500 R501 Y502W403-L498 HydrophobicContact CH2-CB 3.87Å; W403-L498 HydrophobicContact CZ3-CB 4.34Å; I426-L498 HydrophobicContact CG2-CD1 4.2Å; L429-L498 HydrophobicContact CB-CD1 4.34Å; L429-L498 HydrophobicContact CD1-CD1 4.09Å; Y430-L498 HydrophobicContact CD1-CD2 3.88Å; Y430-L498 HydrophobicContact CE1-CD2 3.71Å; Y430-L498 HydrophobicContact CG-CD2 4.49Å; I433-L498 HydrophobicContact CD1-CD2 3.61Å; I433-L498 HydrophobicContact CG1-CD2 4.46Å; F473-L498 HydrophobicContact CE2-CD2 3.61Å; F473-L498 HydrophobicContact CE2-CG 3.94Å; F473-L498 HydrophobicContact CZ-CD2 3.98Å; F473-L498 HydrophobicContact CZ-CG 4.4Å; L494-L498 HydrophobicContact CG-CD1 4.26Å; L494-L498 PolarHBondContact O-N 3.18Å; I495-L498 WeakPolarHBondContact O-CB 3.42Å; I495-L498 PolarHBondContact O-N 2.74Å; I495-L498 VanDerWaalsContact O-N 3.17Å; W496-L498 VanDerWaalsContact C-N 3.34Å; W496-L498 PolarHBondContact O-N 3.4Å; L498-R500 PolarHBondContact O-N 3.21Å; L498-R501 PolarHBondContact O-N 2.74Å; L498-Y502 WeakPolarHBondContact O-CB 3.4Å; L498-Y502 PolarHBondContact O-N 3.4Å
499M94.1Very high89.3Confident3 Ų335.2 Ų35.22%0.01517%0.173CC..Hα-helixtrans-63.3-41.5179.5-173.4-178.8-178.400112.2F400 W403 I495 W496 Y502 T503 Y598 T614F400-M499 HydrophobicContact CD1-SD 3.77Å; F400-M499 HydrophobicContact CE1-SD 3.72Å; W403-M499 HydrophobicContact CB-CE 4.46Å; W403-M499 HydrophobicContact CD2-CB 4.03Å; W403-M499 HydrophobicContact CD2-CG 3.82Å; W403-M499 HydrophobicContact CD2-SD 4.29Å; W403-M499 HydrophobicContact CE3-CB 3.94Å; W403-M499 HydrophobicContact CE3-CG 4.19Å; W403-M499 HydrophobicContact CG-CE 4.28Å; W403-M499 HydrophobicContact CG-CG 4.19Å; W403-M499 HydrophobicContact CG-SD 4.26Å; W403-M499 HydrophobicContact CH2-CB 3.9Å; W403-M499 HydrophobicContact CZ2-CB 3.97Å; W403-M499 HydrophobicContact CZ2-CG 4.25Å; W403-M499 HydrophobicContact CZ3-CB 3.88Å; I495-M499 PolarHBondContact O-N 2.9Å; W496-M499 PolarHBondContact O-N 3.47Å; M499-Y502 WeakPolarHBondContact O-CB 3.39Å; M499-Y502 PolarHBondContact O-N 2.96Å; M499-T503 PolarHBondContact O-N 3.16Å; M499-T503 PolarHBondContact O-OG1 3.37Å; M499-Y598 HydrophobicContact CE-CD2 4.15Å; M499-Y598 HydrophobicContact CE-CG 4.35Å; M499-T614 HydrophobicContact CE-CG2 4.36Å
500R91.3Very high88.1Confident84 Ų8432.4 Ų32.432%0.31715%0.154SC..Hα-helixtrans-60.6-49.7174.8179.2173.8-172.6173.19.2111W496 L498 Y502 T503 L504 D518 M613W496-R500 HydrophobicContact CH2-CB 4.5Å; W496-R500 HydrophobicContact CZ2-CB 4.32Å; W496-R500 VanDerWaalsContact O-CB 3.28Å; W496-R500 WeakPolarHBondContact O-CB 3.42Å; W496-R500 PolarHBondContact O-N 3.32Å; L498-R500 PolarHBondContact O-N 3.21Å; R500-Y502 VanDerWaalsContact C-N 3.34Å; R500-Y502 PolarHBondContact O-N 2.69Å; R500-T503 PolarHBondContact O-N 2.95Å; R500-L504 HydrophobicContact CG-CD1 4.12Å; R500-L504 WeakPolarHBondContact O-CG 3.42Å; R500-L504 PolarHBondContact O-N 3.38Å; R500-D518 IonicContact CZ-OD1 3.35Å; R500-D518 IonicContact CZ-OD2 3.47Å; R500-D518 IonicContact NH2-OD1 3.3Å; R500-D518 PolarHBondContact NH2-OD1 3.23Å; R500-D518 IonicContact NH2-OD2 2.74Å; R500-D518 PolarHBondContact NH2-OD2 2.94Å; R500-M613 HydrophobicContact CB-CE 4.42Å; R500-M613 HydrophobicContact CG-CE 3.75Å
501R90.8Very high86.4Confident75 Ų7531.7 Ų31.728%0.28316%0.156SC..Hα-helixtrans-61.6-42.7178.3176.865.381.5173.36.8111.5I433 A471 F473 Q497 L498 T503 L504 N505I433-R501 HydrophobicContact CB-CG 4.07Å; I433-R501 HydrophobicContact CD1-CB 4.2Å; I433-R501 HydrophobicContact CD1-CG 3.83Å; I433-R501 HydrophobicContact CG1-CG 4.5Å; A471-R501 PolarHBondContact O-NH2 3.25Å; F473-R501 HydrophobicContact CE1-CB 3.93Å; F473-R501 HydrophobicContact CE1-CG 4.35Å; F473-R501 HydrophobicContact CZ-CB 4.08Å; Q497-R501 WeakPolarHBondContact O-CB 3.24Å; Q497-R501 PolarHBondContact O-N 2.89Å; L498-R501 PolarHBondContact O-N 2.74Å; R501-T503 VanDerWaalsContact C-N 3.32Å; R501-T503 PolarHBondContact O-N 3.06Å; R501-L504 PolarHBondContact O-N 3.21Å; R501-N505 VanDerWaalsContact CD-OD1 3.27Å; R501-N505 WeakPolarHBondContact CD-OD1 3.15Å; R501-N505 WeakPolarHBondContact O-CB 3.42Å; R501-N505 PolarHBondContact O-N 3.36Å; R501-N505 PolarHBondContact O-OD1 3.43Å
502Y90.6Very high84.7Confident35 Ų3535.2 Ų35.214%0.13719%0.192CC..Hα-helixtrans-54.9-49174.9176.3-101.3000111.7W403 L407 I433 L498 M499 R500 L504 N505 I506W403-Y502 HydrophobicContact CZ2-CD1 4.28Å; W403-Y502 HydrophobicContact CZ2-CG 4.04Å; W403-Y502 AromaticContact NE1-CD1 3.52Å; W403-Y502 AromaticContact NE1-CE1 3.83Å; L407-Y502 HydrophobicContact CD1-CE2 4.43Å; L407-Y502 HydrophobicContact CD2-CE1 4.26Å; L407-Y502 HydrophobicContact CD2-CE2 3.88Å; L407-Y502 WeakPolarHBondContact CD2-OH 3.4Å; I433-Y502 HydrophobicContact CG2-CD2 4.17Å; I433-Y502 HydrophobicContact CG2-CG 4.4Å; L498-Y502 WeakPolarHBondContact O-CB 3.4Å; L498-Y502 PolarHBondContact O-N 3.4Å; M499-Y502 WeakPolarHBondContact O-CB 3.39Å; M499-Y502 PolarHBondContact O-N 2.96Å; R500-Y502 VanDerWaalsContact C-N 3.34Å; R500-Y502 PolarHBondContact O-N 2.69Å; Y502-L504 PolarHBondContact O-N 3.15Å; Y502-N505 PolarHBondContact O-N 3.41Å; Y502-I506 HydrophobicContact CD1-CD1 4.04Å; Y502-I506 HydrophobicContact CE1-CD1 3.49Å; Y502-I506 VanDerWaalsContact CE1-CD1 3.49Å; Y502-I506 HydrophobicContact CE2-CD1 4.34Å; Y502-I506 WeakPolarHBondContact O-CG1 3.48Å; Y502-I506 PolarHBondContact O-N 3.22Å
503T86.6Confident83.2Confident9 Ų937 Ų376%0.05522%0.215CC..Hα-helixtrans-62.8-44-180-54.40000111.7M499 R500 R501 I506 L507 A617M499-T503 PolarHBondContact O-N 3.16Å; M499-T503 PolarHBondContact O-OG1 3.37Å; R500-T503 PolarHBondContact O-N 2.95Å; R501-T503 VanDerWaalsContact C-N 3.32Å; R501-T503 PolarHBondContact O-N 3.06Å; T503-I506 PolarHBondContact O-N 3Å; T503-L507 PolarHBondContact O-N 3.48Å; T503-A617 HydrophobicContact CG2-CB 3.52Å
504L83.7Confident81.7Confident18 Ų1842.5 Ų42.59%0.09424%0.235CC..Hα-helixtrans-67.9-38.2178.4-66.5177.2000112.5R500 R501 Y502 I506 L507 E508 V516 I521R500-L504 HydrophobicContact CG-CD1 4.12Å; R500-L504 WeakPolarHBondContact O-CG 3.42Å; R500-L504 PolarHBondContact O-N 3.38Å; R501-L504 PolarHBondContact O-N 3.21Å; Y502-L504 PolarHBondContact O-N 3.15Å; L504-I506 VanDerWaalsContact C-N 3.26Å; L504-I506 PolarHBondContact O-N 2.85Å; L504-L507 HydrophobicContact CD2-CD1 4.5Å; L504-L507 CarbonylContact O-C 3.42Å; L504-L507 WeakPolarHBondContact O-CA 3.43Å; L504-L507 WeakPolarHBondContact O-CB 3.23Å; L504-L507 PolarHBondContact O-N 3.29Å; L504-E508 WeakPolarHBondContact O-CG 3.26Å; L504-E508 PolarHBondContact O-N 3.33Å; L504-V516 HydrophobicContact CD2-CB 4.37Å; L504-V516 HydrophobicContact CD2-CG1 4.33Å; L504-I521 HydrophobicContact CD2-CD1 4.33Å
505N84.1Confident80.4Confident19 Ų1950.7 Ų50.710%0.10227%0.271CS..Hα-helixtrans-59.7-38176.2-74.51.9000111.8I433 R501 Y502 L507 E508 E509I433-N505 PolarHBondContact O-ND2 3.1Å; R501-N505 VanDerWaalsContact CD-OD1 3.27Å; R501-N505 WeakPolarHBondContact CD-OD1 3.15Å; R501-N505 WeakPolarHBondContact O-CB 3.42Å; R501-N505 PolarHBondContact O-N 3.36Å; R501-N505 PolarHBondContact O-OD1 3.43Å; Y502-N505 PolarHBondContact O-N 3.41Å; N505-L507 VanDerWaalsContact C-N 3.27Å; N505-L507 PolarHBondContact O-N 2.93Å; N505-E508 PolarHBondContact O-N 3.38Å; N505-E509 WeakPolarHBondContact O-CG 3.24Å; N505-E509 PolarHBondContact O-N 2.95Å; N505-E509 VanDerWaalsContact O-N 3.16Å
506I78.8Confident79.4Confident56 Ų5651.4 Ų51.429%0.28728%0.275SS..Hα-helixtrans-61.8-38.5174.6-66.9168000110.5Y502 T503 L504 I510Y502-I506 HydrophobicContact CD1-CD1 4.04Å; Y502-I506 HydrophobicContact CE1-CD1 3.49Å; Y502-I506 VanDerWaalsContact CE1-CD1 3.49Å; Y502-I506 HydrophobicContact CE2-CD1 4.34Å; Y502-I506 WeakPolarHBondContact O-CG1 3.48Å; Y502-I506 PolarHBondContact O-N 3.22Å; T503-I506 PolarHBondContact O-N 3Å; L504-I506 VanDerWaalsContact C-N 3.26Å; L504-I506 PolarHBondContact O-N 2.85Å; I506-I510 HydrophobicContact CG2-CD1 4.09Å; I506-I510 VanDerWaalsContact O-CD1 3.23Å; I506-I510 WeakPolarHBondContact O-CD1 3.09Å; I506-I510 VanDerWaalsContact O-CG1 3.27Å; I506-I510 WeakPolarHBondContact O-CG1 3.4Å
507L78.4Confident78.7Confident2 Ų253.6 Ų53.61%0.0129%0.289CS..Hα-helixtrans-73-39.9177.9-67.9-179.3000112.9T503 L504 N505 E509 I510 G511 V516 I521 A617 M620T503-L507 PolarHBondContact O-N 3.48Å; L504-L507 HydrophobicContact CD2-CD1 4.5Å; L504-L507 CarbonylContact O-C 3.42Å; L504-L507 WeakPolarHBondContact O-CA 3.43Å; L504-L507 WeakPolarHBondContact O-CB 3.23Å; L504-L507 PolarHBondContact O-N 3.29Å; N505-L507 VanDerWaalsContact C-N 3.27Å; N505-L507 PolarHBondContact O-N 2.93Å; L507-E509 VanDerWaalsContact C-N 3.29Å; L507-E509 PolarHBondContact O-N 3.21Å; L507-I510 PolarHBondContact O-N 3.42Å; L507-I510 VanDerWaalsContact O-N 3.07Å; L507-G511 PolarHBondContact O-N 3.37Å; L507-V516 HydrophobicContact CB-CB 4.28Å; L507-V516 HydrophobicContact CB-CG1 4.48Å; L507-V516 HydrophobicContact CB-CG2 3.95Å; L507-V516 HydrophobicContact CD1-CG1 3.92Å; L507-I521 HydrophobicContact CD1-CD1 4.18Å; L507-I521 HydrophobicContact CD1-CG1 4.3Å; L507-A617 HydrophobicContact CD1-CB 3.88Å; L507-A617 WeakPolarHBondContact CD2-O 3.38Å; L507-M620 HydrophobicContact CD1-SD 4.37Å; L507-M620 HydrophobicContact CD2-CB 4.23Å; L507-M620 HydrophobicContact CD2-CG 4.15Å
508E74.8Confident78.3Confident44 Ų4454 Ų5421%0.20629%0.293CS..Hα-helixtrans-60.8-38.2177.1-70.3-174.5171.800111.8L504 N505 I510 G513L504-E508 WeakPolarHBondContact O-CG 3.26Å; L504-E508 PolarHBondContact O-N 3.33Å; N505-E508 PolarHBondContact O-N 3.38Å; E508-I510 VanDerWaalsContact C-N 3.26Å; E508-I510 PolarHBondContact O-N 2.96Å; E508-G513 WeakPolarHBondContact O-CA 3.4Å; E508-G513 PolarHBondContact O-N 2.93Å
509E68Low77.9Confident123 Ų12359.3 Ų59.358%0.57532%0.321SS*.Hα-helixtrans-61.4-34.3174.2-74.6177.9179.900112.6K434 N505 L507K434-E509 WeakPolarHBondContact CE-OE1 3.44Å; K434-E509 IonicContact NZ-OE1 2.64Å; K434-E509 PolarHBondContact NZ-OE1 3.01Å; N505-E509 WeakPolarHBondContact O-CG 3.24Å; N505-E509 PolarHBondContact O-N 2.95Å; N505-E509 VanDerWaalsContact O-N 3.16Å; L507-E509 VanDerWaalsContact C-N 3.29Å; L507-E509 PolarHBondContact O-N 3.21Å
510I66.9Low77.7Confident44 Ų4462.2 Ų62.223%0.22634%0.336CS..Hα-helixtrans-85.4-35.7-177.4-60.2163.2000110.9I506 L507 E508 G512 G621 M624 K625I506-I510 HydrophobicContact CG2-CD1 4.09Å; I506-I510 VanDerWaalsContact O-CD1 3.23Å; I506-I510 WeakPolarHBondContact O-CD1 3.09Å; I506-I510 VanDerWaalsContact O-CG1 3.27Å; I506-I510 WeakPolarHBondContact O-CG1 3.4Å; L507-I510 PolarHBondContact O-N 3.42Å; L507-I510 VanDerWaalsContact O-N 3.07Å; E508-I510 VanDerWaalsContact C-N 3.26Å; E508-I510 PolarHBondContact O-N 2.96Å; I510-G512 VanDerWaalsContact C-N 3.25Å; I510-G512 PolarHBondContact O-N 3.39Å; I510-G621 WeakPolarHBondContact CD1-O 3.49Å; I510-M624 HydrophobicContact CG2-CB 3.53Å; I510-K625 HydrophobicContact CD1-CD 4.45Å; I510-K625 HydrophobicContact CD1-CG 4.22Å; I510-K625 HydrophobicContact CG1-CG 4.37Å; I510-K625 HydrophobicContact CG2-CG 4.27Å
511G61.1Low77.7Confident24 Ų2458.2 Ų58.225%0.24732%0.321CS..THydrogen-bonded Turntrans-83.719.8-179.600000115.2L507 G513 Q514L507-G511 PolarHBondContact O-N 3.37Å; G511-G513 VanDerWaalsContact C-N 3.29Å; G511-G513 PolarHBondContact O-N 2.92Å; G511-Q514 PolarHBondContact O-N 2.94Å
512G61.4Low77.8Confident76 Ų7655.4 Ų55.478%0.78431%0.312SS*.THydrogen-bonded Turntrans64.927.317800000114.6I510I510-G512 VanDerWaalsContact C-N 3.25Å; I510-G512 PolarHBondContact O-N 3.39Å
513G61.9Low78Confident57 Ų5758 Ų5859%0.58833%0.329SS*.THydrogen-bonded Turntrans88.17.3176.900000115.7E508 G511E508-G513 WeakPolarHBondContact O-CA 3.4Å; E508-G513 PolarHBondContact O-N 2.93Å; G511-G513 VanDerWaalsContact C-N 3.29Å; G511-G513 PolarHBondContact O-N 2.92Å
514Q65Low78.4Confident148 Ų14859.5 Ų59.569%0.69233%0.333SS*.  trans-72.7132.1170.7-68.7-169.8-1.300111G511 V516G511-Q514 PolarHBondContact O-N 2.94Å; Q514-V516 PolarHBondContact O-N 3.14Å
515K69.3Low78.9Confident175 Ų17558.7 Ų58.776%0.76133%0.329SS*.  trans-63.9115.5175.7-72.1-175.3178.3177.10110.1I520K515-I520 WeakPolarHBondContact O-CD1 3.42Å
516V75.1Confident79.6Confident16 Ų1659.8 Ų59.810%0.09734%0.335CS..  trans-87.8132.4177.3-176.60000109.9L504 L507 Q514 I520 I521L504-V516 HydrophobicContact CD2-CB 4.37Å; L504-V516 HydrophobicContact CD2-CG1 4.33Å; L507-V516 HydrophobicContact CB-CB 4.28Å; L507-V516 HydrophobicContact CB-CG1 4.48Å; L507-V516 HydrophobicContact CB-CG2 3.95Å; L507-V516 HydrophobicContact CD1-CG1 3.92Å; Q514-V516 PolarHBondContact O-N 3.14Å; V516-I520 HydrophobicContact CG1-CB 4.31Å; V516-I520 HydrophobicContact CG1-CG2 4.05Å; V516-I521 HydrophobicContact CG1-CD1 4.13Å; V516-I521 HydrophobicContact CG1-CG1 3.7Å
517N80.9Confident80.4Confident75 Ų7561.5 Ų61.540%0.40134%0.342SS..  trans-124.7176.6173.270.114.4000110.4D519 I520 I521N517-D519 VanDerWaalsContact C-N 3.29Å; N517-D519 PolarHBondContact O-N 3.03Å; N517-D519 PolarHBondContact OD1-N 3.33Å; N517-I520 PolarHBondContact O-N 3.11Å; N517-I520 VanDerWaalsContact OD1-CG1 3.26Å; N517-I520 WeakPolarHBondContact OD1-CG1 3.31Å; N517-I520 PolarHBondContact OD1-N 2.87Å; N517-I521 PolarHBondContact O-N 3.34Å
518D85.4Confident81.3Confident51 Ų5162.5 Ų62.527%0.27335%0.348SS..Hα-helixtrans-59.5-39.6-175.2-63.90.4000112.1R500 I521 V522 F541R500-D518 IonicContact CZ-OD1 3.35Å; R500-D518 IonicContact CZ-OD2 3.47Å; R500-D518 IonicContact NH2-OD1 3.3Å; R500-D518 PolarHBondContact NH2-OD1 3.23Å; R500-D518 IonicContact NH2-OD2 2.74Å; R500-D518 PolarHBondContact NH2-OD2 2.94Å; D518-I521 PolarHBondContact O-N 3.3Å; D518-V522 WeakPolarHBondContact O-CG2 3.4Å; D518-V522 PolarHBondContact O-N 3.05Å; D518-F541 HydrophobicContact CB-CD2 4.41Å; D518-F541 HydrophobicContact CB-CE2 3.69Å
519D88.1Confident82.3Confident112 Ų11260.4 Ų60.460%0.59934%0.338SS*.Hα-helixtrans-66.3-39.5179.7-61.1-38.1000112.1N517 I521 V522 N523N517-D519 VanDerWaalsContact C-N 3.29Å; N517-D519 PolarHBondContact O-N 3.03Å; N517-D519 PolarHBondContact OD1-N 3.33Å; D519-I521 VanDerWaalsContact C-N 3.31Å; D519-I521 PolarHBondContact O-N 2.97Å; D519-V522 PolarHBondContact O-N 3.48Å; D519-N523 WeakPolarHBondContact O-CB 3.17Å; D519-N523 PolarHBondContact O-N 3.35Å; D519-N523 PolarHBondContact O-ND2 3.16Å
520I88.9Confident83.7Confident64 Ų6462.8 Ų62.833%0.32834%0.342SS..Hα-helixtrans-61.1-42.6176.4-70.6166.1000110.4K515 V516 N517 W524 M620K515-I520 WeakPolarHBondContact O-CD1 3.42Å; V516-I520 HydrophobicContact CG1-CB 4.31Å; V516-I520 HydrophobicContact CG1-CG2 4.05Å; N517-I520 PolarHBondContact O-N 3.11Å; N517-I520 VanDerWaalsContact OD1-CG1 3.26Å; N517-I520 WeakPolarHBondContact OD1-CG1 3.31Å; N517-I520 PolarHBondContact OD1-N 2.87Å; I520-W524 WeakPolarHBondContact O-CB 3.45Å; I520-W524 PolarHBondContact O-N 3.12Å; I520-M620 HydrophobicContact CG2-CE 4.19Å
521I91.3Very high85.1Confident0 Ų067.7 Ų67.70%036%0.364CS..Hα-helixtrans-65.4-47.6178.9-61.4164.5000110.1L504 L507 V516 N517 D518 D519 N523 W524 V525 F541 F616 A617 M620L504-I521 HydrophobicContact CD2-CD1 4.33Å; L507-I521 HydrophobicContact CD1-CD1 4.18Å; L507-I521 HydrophobicContact CD1-CG1 4.3Å; V516-I521 HydrophobicContact CG1-CD1 4.13Å; V516-I521 HydrophobicContact CG1-CG1 3.7Å; N517-I521 PolarHBondContact O-N 3.34Å; D518-I521 PolarHBondContact O-N 3.3Å; D519-I521 VanDerWaalsContact C-N 3.31Å; D519-I521 PolarHBondContact O-N 2.97Å; I521-N523 VanDerWaalsContact C-N 3.35Å; I521-N523 PolarHBondContact O-N 3.47Å; I521-W524 PolarHBondContact O-N 3.06Å; I521-V525 HydrophobicContact CG2-CG2 4.45Å; I521-V525 VanDerWaalsContact O-CG2 3.28Å; I521-V525 WeakPolarHBondContact O-CG2 3.49Å; I521-V525 PolarHBondContact O-N 2.98Å; I521-F541 HydrophobicContact CB-CZ 3.92Å; I521-F541 HydrophobicContact CD1-CZ 4.41Å; I521-F541 HydrophobicContact CG2-CE1 4.02Å; I521-F541 HydrophobicContact CG2-CZ 3.74Å; I521-F616 HydrophobicContact CG2-CB 3.91Å; I521-A617 HydrophobicContact CD1-CB 4.1Å; I521-M620 HydrophobicContact CB-SD 4.35Å; I521-M620 HydrophobicContact CG1-SD 3.95Å; I521-M620 HydrophobicContact CG2-SD 4.46Å
522V94.5Very high86.7Confident15 Ų1568.5 Ų68.59%0.09137%0.368CS..Hα-helixtrans-61.7-42.9179.7171.90000111.5D518 D519 V525 N526 I538 F541D518-V522 WeakPolarHBondContact O-CG2 3.4Å; D518-V522 PolarHBondContact O-N 3.05Å; D519-V522 PolarHBondContact O-N 3.48Å; V522-V525 PolarHBondContact O-N 3.41Å; V522-N526 PolarHBondContact O-N 2.91Å; V522-N526 VanDerWaalsContact O-N 3.09Å; V522-N526 PolarHBondContact O-ND2 3.46Å; V522-N526 VanDerWaalsContact O-ND2 3.16Å; V522-I538 HydrophobicContact CG1-CG1 4.36Å; V522-I538 HydrophobicContact CG2-CD1 4.43Å; V522-F541 HydrophobicContact CG2-CD1 4.27Å; V522-F541 HydrophobicContact CG2-CE1 3.8Å; V522-F541 HydrophobicContact CG2-CE2 4.3Å; V522-F541 HydrophobicContact CG2-CZ 3.83Å
523N94.1Very high88.4Confident91 Ų9173.4 Ų73.449%0.48737%0.371SS..Hα-helixtrans-62.3-47.8176.4-71.3-25000111.3D519 I521 V525 N526 E527D519-N523 WeakPolarHBondContact O-CB 3.17Å; D519-N523 PolarHBondContact O-N 3.35Å; D519-N523 PolarHBondContact O-ND2 3.16Å; I521-N523 VanDerWaalsContact C-N 3.35Å; I521-N523 PolarHBondContact O-N 3.47Å; N523-V525 VanDerWaalsContact C-N 3.32Å; N523-V525 PolarHBondContact O-N 3.47Å; N523-N526 PolarHBondContact O-N 3.08Å; N523-E527 WeakPolarHBondContact O-CB 3.43Å; N523-E527 WeakPolarHBondContact O-CG 3.4Å; N523-E527 PolarHBondContact O-N 3.17Å
524W93.8Very high90Very high40 Ų4073 Ų7315%0.15235%0.353CS..Hα-helixtrans-58.7-42.7177.517783.5000112.3I520 I521 N526 E527 T528 L555 I559 M620I520-W524 WeakPolarHBondContact O-CB 3.45Å; I520-W524 PolarHBondContact O-N 3.12Å; I521-W524 PolarHBondContact O-N 3.06Å; W524-N526 PolarHBondContact O-N 3.43Å; W524-E527 PolarHBondContact O-N 3.48Å; W524-T528 VanDerWaalsContact CE2-OG1 3.27Å; W524-T528 HydrophobicContact CH2-CG2 4.38Å; W524-T528 HydrophobicContact CZ2-CG2 4.33Å; W524-T528 WeakPolarHBondContact CZ2-OG1 3.27Å; W524-T528 VanDerWaalsContact O-CB 3.3Å; W524-T528 WeakPolarHBondContact O-CB 3.38Å; W524-T528 PolarHBondContact O-N 2.84Å; W524-T528 PolarHBondContact O-OG1 3.21Å; W524-L555 HydrophobicContact CH2-CD1 4.15Å; W524-L555 HydrophobicContact CZ3-CD1 3.96Å; W524-L555 HydrophobicContact CZ3-CD2 4.19Å; W524-I559 HydrophobicContact CH2-CD1 4Å; W524-I559 HydrophobicContact CH2-CG1 4.11Å; W524-M620 HydrophobicContact CB-CE 3.81Å; W524-M620 HydrophobicContact CB-SD 4.1Å; W524-M620 HydrophobicContact CD2-CB 4.06Å; W524-M620 HydrophobicContact CD2-CE 4.25Å; W524-M620 HydrophobicContact CD2-CG 3.58Å; W524-M620 HydrophobicContact CD2-SD 4.06Å; W524-M620 HydrophobicContact CE3-CB 3.57Å; W524-M620 HydrophobicContact CE3-CG 3.63Å; W524-M620 HydrophobicContact CE3-SD 4.16Å; W524-M620 HydrophobicContact CG-CE 3.7Å; W524-M620 HydrophobicContact CG-CG 4.06Å; W524-M620 HydrophobicContact CG-SD 4.01Å; W524-M620 VanDerWaalsContact CH2-CA 3.46Å; W524-M620 HydrophobicContact CH2-CB 4.1Å; W524-M620 HydrophobicContact CH2-CG 4.44Å; W524-M620 HydrophobicContact CZ2-CB 4.5Å; W524-M620 HydrophobicContact CZ2-CG 4.36Å; W524-M620 VanDerWaalsContact CZ3-CA 3.41Å; W524-M620 HydrophobicContact CZ3-CB 3.6Å; W524-M620 HydrophobicContact CZ3-CG 4.08Å
525V96Very high91.2Very high0 Ų071.8 Ų71.80%036%0.36CS..Hα-helixtrans-58.5-50.4176.41680000110.6I521 V522 N523 T528 L529 I538 L555 F616I521-V525 HydrophobicContact CG2-CG2 4.45Å; I521-V525 VanDerWaalsContact O-CG2 3.28Å; I521-V525 WeakPolarHBondContact O-CG2 3.49Å; I521-V525 PolarHBondContact O-N 2.98Å; V522-V525 PolarHBondContact O-N 3.41Å; N523-V525 VanDerWaalsContact C-N 3.32Å; N523-V525 PolarHBondContact O-N 3.47Å; V525-T528 PolarHBondContact O-N 3.29Å; V525-L529 HydrophobicContact CG1-CD1 3.8Å; V525-L529 HydrophobicContact CG1-CG 4.48Å; V525-L529 WeakPolarHBondContact O-CB 3.24Å; V525-L529 VanDerWaalsContact O-CG 3.29Å; V525-L529 WeakPolarHBondContact O-CG 3.44Å; V525-L529 PolarHBondContact O-N 3.31Å; V525-I538 HydrophobicContact CB-CD1 4.29Å; V525-I538 HydrophobicContact CG1-CD1 3.88Å; V525-I538 HydrophobicContact CG1-CG1 3.95Å; V525-L555 HydrophobicContact CG1-CD1 4.46Å; V525-L555 HydrophobicContact CG1-CD2 4.1Å; V525-L555 HydrophobicContact CG2-CD2 3.88Å; V525-F616 HydrophobicContact CB-CD1 4.48Å; V525-F616 HydrophobicContact CG1-CD1 4.11Å; V525-F616 HydrophobicContact CG1-CE1 3.94Å; V525-F616 HydrophobicContact CG2-CB 4.18Å; V525-F616 HydrophobicContact CG2-CD1 3.52Å; V525-F616 HydrophobicContact CG2-CE1 4.22Å; V525-F616 HydrophobicContact CG2-CG 4.11Å
526N97.5Very high92.3Very high42 Ų4264.4 Ų64.423%0.22533%0.331CS..Hα-helixtrans-68.1-36.5-177.7-71.7-39.6000112.7V522 N523 W524 R530 S537 I538V522-N526 PolarHBondContact O-N 2.91Å; V522-N526 VanDerWaalsContact O-N 3.09Å; V522-N526 PolarHBondContact O-ND2 3.46Å; V522-N526 VanDerWaalsContact O-ND2 3.16Å; N523-N526 PolarHBondContact O-N 3.08Å; W524-N526 PolarHBondContact O-N 3.43Å; N526-R530 VanDerWaalsContact O-CB 3.27Å; N526-R530 WeakPolarHBondContact O-CB 3.29Å; N526-R530 PolarHBondContact O-N 3.09Å; N526-S537 WeakPolarHBondContact OD1-CA 3.23Å; N526-S537 WeakPolarHBondContact OD1-CB 3.11Å; N526-I538 PolarHBondContact ND2-O 3.2Å; N526-I538 PolarHBondContact OD1-N 2.86Å; N526-I538 PolarHBondContact OD1-O 3.36Å
527E96.1Very high93.3Very high93 Ų9366.1 Ų66.144%0.43534%0.344SS..Hα-helixtrans-63.7-47.3173.7-74.1178.2166.300111.1N523 W524 L529 R530 E531N523-E527 WeakPolarHBondContact O-CB 3.43Å; N523-E527 WeakPolarHBondContact O-CG 3.4Å; N523-E527 PolarHBondContact O-N 3.17Å; W524-E527 PolarHBondContact O-N 3.48Å; E527-L529 PolarHBondContact O-N 2.77Å; E527-R530 PolarHBondContact O-N 3.22Å; E527-E531 WeakPolarHBondContact O-CG 3.37Å; E527-E531 PolarHBondContact O-N 3.07Å
528T96.3Very high94.1Very high22 Ų2262.7 Ų62.714%0.13533%0.325CS..Hα-helixtrans-60.7-45.2178.5-57.10000111.6W524 V525 E531 A532 L555 A558W524-T528 VanDerWaalsContact CE2-OG1 3.27Å; W524-T528 HydrophobicContact CH2-CG2 4.38Å; W524-T528 HydrophobicContact CZ2-CG2 4.33Å; W524-T528 WeakPolarHBondContact CZ2-OG1 3.27Å; W524-T528 VanDerWaalsContact O-CB 3.3Å; W524-T528 WeakPolarHBondContact O-CB 3.38Å; W524-T528 PolarHBondContact O-N 2.84Å; W524-T528 PolarHBondContact O-OG1 3.21Å; V525-T528 PolarHBondContact O-N 3.29Å; T528-E531 PolarHBondContact O-N 3.09Å; T528-A532 WeakPolarHBondContact O-CB 3.09Å; T528-A532 PolarHBondContact O-N 2.94Å; T528-A532 VanDerWaalsContact O-N 3.09Å; T528-L555 HydrophobicContact CG2-CD1 3.78Å; T528-A558 HydrophobicContact CG2-CB 3.98Å
529L97.1Very high94.6Very high1 Ų164.6 Ų64.61%0.00534%0.343CS..Hα-helixtrans-62.6-42.9176.5-73169.9000111.8V525 E527 A532 Q533 K534 S536 D554 L555V525-L529 HydrophobicContact CG1-CD1 3.8Å; V525-L529 HydrophobicContact CG1-CG 4.48Å; V525-L529 WeakPolarHBondContact O-CB 3.24Å; V525-L529 VanDerWaalsContact O-CG 3.29Å; V525-L529 WeakPolarHBondContact O-CG 3.44Å; V525-L529 PolarHBondContact O-N 3.31Å; E527-L529 PolarHBondContact O-N 2.77Å; L529-A532 CarbonylContact O-C 3.6Å; L529-A532 PolarHBondContact O-N 3.28Å; L529-Q533 PolarHBondContact O-N 3.04Å; L529-K534 HydrophobicContact CB-CB 4.27Å; L529-K534 HydrophobicContact CD2-CB 3.89Å; L529-K534 HydrophobicContact CD2-CG 4.06Å; L529-K534 WeakPolarHBondContact O-CB 3.22Å; L529-K534 PolarHBondContact O-N 3.31Å; L529-S536 WeakPolarHBondContact CD1-O 3.46Å; L529-D554 HydrophobicContact CD2-CB 3.72Å; L529-L555 HydrophobicContact CD2-CB 4.08Å; L529-L555 HydrophobicContact CG-CD1 4.4Å
530R97Very high95Very high172 Ų17261.4 Ų61.465%0.64933%0.329SS*.Hα-helixtrans-64.5-44.1178.6-177.6-175.865.7-168.7-4.2112N526 E527 A532 Q533N526-R530 VanDerWaalsContact O-CB 3.27Å; N526-R530 WeakPolarHBondContact O-CB 3.29Å; N526-R530 PolarHBondContact O-N 3.09Å; E527-R530 PolarHBondContact O-N 3.22Å; R530-A532 VanDerWaalsContact C-N 3.29Å; R530-A532 PolarHBondContact O-N 3.16Å; R530-Q533 PolarHBondContact O-N 3Å
531E95.9Very high95.3Very high148 Ų14859.1 Ų59.169%0.69232%0.317SS*.Hα-helixtrans-63-37.2177.8-74.6176.8-175.600112E527 T528 Q533E527-E531 WeakPolarHBondContact O-CG 3.37Å; E527-E531 PolarHBondContact O-N 3.07Å; T528-E531 PolarHBondContact O-N 3.09Å; E531-Q533 PolarHBondContact O-N 3.24Å
532A95.6Very high95.5Very high41 Ų4166.3 Ų66.334%0.33935%0.348SS..THydrogen-bonded Turntrans-79.56.9173.400000114.1T528 L529 R530 K534 A558T528-A532 WeakPolarHBondContact O-CB 3.09Å; T528-A532 PolarHBondContact O-N 2.94Å; T528-A532 VanDerWaalsContact O-N 3.09Å; L529-A532 CarbonylContact O-C 3.6Å; L529-A532 PolarHBondContact O-N 3.28Å; R530-A532 VanDerWaalsContact C-N 3.29Å; R530-A532 PolarHBondContact O-N 3.16Å; A532-K534 HydrophobicContact CB-CG 4.16Å; A532-K534 PolarHBondContact O-N 3.14Å; A532-A558 HydrophobicContact CB-CB 3.42Å; A532-A558 VanDerWaalsContact CB-CB 3.42Å
533Q96.2Very high95.7Very high179 Ų17966.2 Ų66.284%0.83635%0.347SS*.THydrogen-bonded Turntrans56.630.9-180-55.9-179.1-17.900113.9L529 R530 E531L529-Q533 PolarHBondContact O-N 3.04Å; R530-Q533 PolarHBondContact O-N 3Å; E531-Q533 PolarHBondContact O-N 3.24Å
534K95Very high95.8Very high49 Ų4966.6 Ų66.621%0.21335%0.354CS..  trans-80146.5172.4-59.3-65.5-176.9172.60110L529 A532 D554 D557 Y566L529-K534 HydrophobicContact CB-CB 4.27Å; L529-K534 HydrophobicContact CD2-CB 3.89Å; L529-K534 HydrophobicContact CD2-CG 4.06Å; L529-K534 WeakPolarHBondContact O-CB 3.22Å; L529-K534 PolarHBondContact O-N 3.31Å; A532-K534 HydrophobicContact CB-CG 4.16Å; A532-K534 PolarHBondContact O-N 3.14Å; K534-D554 HydrophobicContact CB-CB 4.24Å; K534-D554 HydrophobicContact CD-CB 4.09Å; K534-D554 HydrophobicContact CG-CB 4.07Å; K534-D557 WeakPolarHBondContact CE-OD2 3.23Å; K534-D557 IonicContact NZ-OD2 3.82Å; K534-D557 PolarHBondContact NZ-OD2 3.49Å; K534-Y566 PolarHBondContact NZ-OH 3.43Å
535S90.1Very high95.9Very high122 Ų12269.9 Ų69.985%0.85337%0.37SS*.SBendtrans-86.4-17.1-178.556.90000113.5
536S93.5Very high95.9Very high20 Ų2069.9 Ų69.914%0.1437%0.37CS..  trans-78.4151-179.444.50000111.7L529 D554L529-S536 WeakPolarHBondContact CD1-O 3.46Å; S536-D554 WeakPolarHBondContact CB-OD2 3.47Å; S536-D554 VanDerWaalsContact OG-CB 3.28Å; S536-D554 WeakPolarHBondContact OG-CB 3.44Å; S536-D554 VanDerWaalsContact OG-CG 3.29Å; S536-D554 PolarHBondContact OG-OD2 3.08Å
537S95.8Very high95.9Very high52 Ų5269 Ų6936%0.36437%0.366SS..  trans-158.5157.6177.660.60000109.4N526N526-S537 WeakPolarHBondContact OD1-CA 3.23Å; N526-S537 WeakPolarHBondContact OD1-CB 3.11Å
538I97.3Very high96Very high3 Ų365.9 Ų65.92%0.01535%0.354CS..  trans-123.5138.1177.759166.1000110.9V522 V525 N526 D543 I546 P551 F616V522-I538 HydrophobicContact CG1-CG1 4.36Å; V522-I538 HydrophobicContact CG2-CD1 4.43Å; V525-I538 HydrophobicContact CB-CD1 4.29Å; V525-I538 HydrophobicContact CG1-CD1 3.88Å; V525-I538 HydrophobicContact CG1-CG1 3.95Å; N526-I538 PolarHBondContact ND2-O 3.2Å; N526-I538 PolarHBondContact OD1-N 2.86Å; N526-I538 PolarHBondContact OD1-O 3.36Å; I538-D543 HydrophobicContact CB-CB 4.3Å; I538-D543 HydrophobicContact CG2-CB 4.46Å; I538-I546 HydrophobicContact CG2-CD1 4.08Å; I538-I546 HydrophobicContact CG2-CG1 3.86Å; I538-P551 HydrophobicContact CG2-CB 3.88Å; I538-P551 HydrophobicContact CG2-CG 4.26Å; I538-F616 HydrophobicContact CD1-CD2 4.26Å; I538-F616 HydrophobicContact CD1-CE1 4.23Å; I538-F616 HydrophobicContact CD1-CE2 3.95Å; I538-F616 HydrophobicContact CD1-CZ 3.94Å; I538-F616 HydrophobicContact CG2-CZ 4.41Å
539S95.9Very high96Very high91 Ų9164.9 Ų64.964%0.63635%0.348SS*.SBendtrans-85.8-29.1174.855.50000112.9D543S539-D543 WeakPolarHBondContact CB-OD2 3.39Å; S539-D543 PolarHBondContact N-OD2 3.31Å; S539-D543 PolarHBondContact OG-OD2 3.07Å
540S96.2Very high96Very high45 Ų4566.4 Ų66.432%0.31536%0.356SS..SBendtrans-167177177.667.20000109.8K542 D543S540-K542 PolarHBondContact O-N 3.3Å; S540-K542 VanDerWaalsContact O-N 3.1Å; S540-K542 PolarHBondContact OG-N 2.9Å; S540-K542 VanDerWaalsContact OG-N 3.15Å; S540-D543 VanDerWaalsContact O-CB 3.31Å; S540-D543 WeakPolarHBondContact O-CB 3.38Å; S540-D543 PolarHBondContact O-N 3.35Å; S540-D543 VanDerWaalsContact O-N 3.11Å
541F95.6Very high96Very high16 Ų1658.3 Ų58.37%0.0733%0.326CS..THydrogen-bonded Turntrans-69.70.6170.5-54.5-50.1000114.5D518 I521 V522 V612 M613 F616D518-F541 HydrophobicContact CB-CD2 4.41Å; D518-F541 HydrophobicContact CB-CE2 3.69Å; I521-F541 HydrophobicContact CB-CZ 3.92Å; I521-F541 HydrophobicContact CD1-CZ 4.41Å; I521-F541 HydrophobicContact CG2-CE1 4.02Å; I521-F541 HydrophobicContact CG2-CZ 3.74Å; V522-F541 HydrophobicContact CG2-CD1 4.27Å; V522-F541 HydrophobicContact CG2-CE1 3.8Å; V522-F541 HydrophobicContact CG2-CE2 4.3Å; V522-F541 HydrophobicContact CG2-CZ 3.83Å; F541-V612 HydrophobicContact CB-CB 4.49Å; F541-V612 HydrophobicContact CB-CG1 3.97Å; F541-V612 HydrophobicContact CD1-CG1 4.14Å; F541-V612 HydrophobicContact CG-CG1 4.48Å; F541-M613 HydrophobicContact CD1-CB 4.26Å; F541-M613 HydrophobicContact CD2-CB 3.55Å; F541-M613 HydrophobicContact CD2-CG 3.73Å; F541-M613 HydrophobicContact CE1-CB 4.36Å; F541-M613 HydrophobicContact CE1-CG 4.4Å; F541-M613 HydrophobicContact CE2-CB 3.65Å; F541-M613 HydrophobicContact CE2-CG 3.28Å; F541-M613 HydrophobicContact CG-CB 3.86Å; F541-M613 HydrophobicContact CG-CG 4.43Å; F541-M613 HydrophobicContact CZ-CB 4.07Å; F541-M613 HydrophobicContact CZ-CG 3.67Å; F541-F616 AromaticContact CD1-CD2 3.96Å; F541-F616 HydrophobicContact CD1-CD2 3.96Å; F541-F616 HydrophobicContact CE1-CB 4.04Å; F541-F616 HydrophobicContact CE1-CD2 4.03Å; F541-F616 HydrophobicContact CE1-CG 4.33Å
542K96.8Very high96.1Very high151 Ų15151.3 Ų51.366%0.65729%0.293SS*.THydrogen-bonded Turntrans-104.65.9173-63.6179.9178.8-177.20112.4S540 P544 P609S540-K542 PolarHBondContact O-N 3.3Å; S540-K542 VanDerWaalsContact O-N 3.1Å; S540-K542 PolarHBondContact OG-N 2.9Å; S540-K542 VanDerWaalsContact OG-N 3.15Å; K542-P544 WeakPolarHBondContact O-CD 3.48Å; K542-P609 HydrophobicContact CD-CG 4.36Å; K542-P609 HydrophobicContact CG-CB 3.93Å; K542-P609 HydrophobicContact CG-CG 3.61Å
543D97.1Very high96.2Very high13 Ų1349.3 Ų49.37%0.0728%0.277CS..  trans-63.8121.1-175.9-165.1-51.4000110.8I538 S539 S540 K545 I546I538-D543 HydrophobicContact CB-CB 4.3Å; I538-D543 HydrophobicContact CG2-CB 4.46Å; S539-D543 WeakPolarHBondContact CB-OD2 3.39Å; S539-D543 PolarHBondContact N-OD2 3.31Å; S539-D543 PolarHBondContact OG-OD2 3.07Å; S540-D543 VanDerWaalsContact O-CB 3.31Å; S540-D543 WeakPolarHBondContact O-CB 3.38Å; S540-D543 PolarHBondContact O-N 3.35Å; S540-D543 VanDerWaalsContact O-N 3.11Å; D543-K545 PolarHBondContact O-N 3.07Å; D543-K545 WeakPolarHBondContact OD1-CB 3.29Å; D543-K545 WeakPolarHBondContact OD1-CG 3.35Å; D543-K545 PolarHBondContact OD1-N 3.39Å; D543-I546 HydrophobicContact CB-CD1 3.94Å; D543-I546 HydrophobicContact CB-CG1 4.24Å; D543-I546 VanDerWaalsContact O-CB 3.31Å; D543-I546 WeakPolarHBondContact O-CB 3.41Å; D543-I546 WeakPolarHBondContact O-CG1 3.48Å; D543-I546 PolarHBondContact O-N 3.41Å
544P96.3Very high96.3Very high98 Ų9841.7 Ų41.764%0.63624%0.241SC*.G310 helixtrans-58.2-23.6-177.6-26.435.3000114.4K542 I546 S547K542-P544 WeakPolarHBondContact O-CD 3.48Å; P544-I546 PolarHBondContact O-N 2.94Å; P544-S547 WeakPolarHBondContact O-CB 3.47Å; P544-S547 PolarHBondContact O-N 2.9Å; P544-S547 VanDerWaalsContact O-N 3.14Å; P544-S547 PolarHBondContact O-OG 3.47Å
545K96Very high96.4Very high110 Ų11039.3 Ų39.348%0.47823%0.231SC..G310 helixtrans-61.4-25.4177.5-64.8176.3-171.6174.20112.4D543 S547 T548 P551D543-K545 PolarHBondContact O-N 3.07Å; D543-K545 WeakPolarHBondContact OD1-CB 3.29Å; D543-K545 WeakPolarHBondContact OD1-CG 3.35Å; D543-K545 PolarHBondContact OD1-N 3.39Å; K545-S547 PolarHBondContact O-N 2.97Å; K545-T548 PolarHBondContact O-N 2.94Å; K545-T548 VanDerWaalsContact O-N 3.17Å; K545-T548 PolarHBondContact O-OG1 3.03Å; K545-P551 HydrophobicContact CB-CG 4.17Å
546I97.6Very high96.8Very high0 Ų033.5 Ų33.50%019%0.191CC..G310 helixtrans-62.5-28.5179-61.8167.4000111.1I538 D543 P544 T548 S549 L604 V607 V612 F616I538-I546 HydrophobicContact CG2-CD1 4.08Å; I538-I546 HydrophobicContact CG2-CG1 3.86Å; D543-I546 HydrophobicContact CB-CD1 3.94Å; D543-I546 HydrophobicContact CB-CG1 4.24Å; D543-I546 VanDerWaalsContact O-CB 3.31Å; D543-I546 WeakPolarHBondContact O-CB 3.41Å; D543-I546 WeakPolarHBondContact O-CG1 3.48Å; D543-I546 PolarHBondContact O-N 3.41Å; P544-I546 PolarHBondContact O-N 2.94Å; I546-T548 PolarHBondContact O-N 3.25Å; I546-S549 WeakPolarHBondContact O-CA 3.3Å; I546-S549 PolarHBondContact O-N 3.05Å; I546-L604 HydrophobicContact CG2-CD2 4.24Å; I546-V607 HydrophobicContact CB-CG1 4.23Å; I546-V607 HydrophobicContact CB-CG2 4.42Å; I546-V607 HydrophobicContact CD1-CG1 4.43Å; I546-V612 HydrophobicContact CD1-CG1 3.75Å; I546-V612 HydrophobicContact CG2-CG1 4.08Å; I546-V612 HydrophobicContact CG2-CG2 3.98Å; I546-F616 HydrophobicContact CD1-CE2 4.05Å; I546-F616 HydrophobicContact CG1-CE2 4.4Å
547S97.2Very high96.9Very high22 Ų2233.5 Ų33.515%0.15419%0.189CC..G310 helixtrans-56.7-24.2176.166.50000113.9P544 K545 S549 K579 L604 V605P544-S547 WeakPolarHBondContact O-CB 3.47Å; P544-S547 PolarHBondContact O-N 2.9Å; P544-S547 VanDerWaalsContact O-N 3.14Å; P544-S547 PolarHBondContact O-OG 3.47Å; K545-S547 PolarHBondContact O-N 2.97Å; S547-S549 VanDerWaalsContact C-N 3.33Å; S547-K579 WeakPolarHBondContact O-CB 3.44Å; S547-K579 WeakPolarHBondContact O-CG 3.43Å; S547-L604 WeakPolarHBondContact CA-O 3.27Å; S547-V605 WeakPolarHBondContact CB-O 3.3Å
548T96.7Very high97Very high29 Ų2932 Ų3218%0.17818%0.179CC..G310 helixtrans-82.6-11.9177.469.60000113.6K545 I546 L550 L574 N582K545-T548 PolarHBondContact O-N 2.94Å; K545-T548 VanDerWaalsContact O-N 3.17Å; K545-T548 PolarHBondContact O-OG1 3.03Å; I546-T548 PolarHBondContact O-N 3.25Å; T548-L550 PolarHBondContact O-N 3.48Å; T548-L550 WeakPolarHBondContact OG1-CB 3.42Å; T548-L550 WeakPolarHBondContact OG1-CG 3.32Å; T548-L550 PolarHBondContact OG1-N 3.18Å; T548-L574 HydrophobicContact CG2-CD1 3.77Å; T548-N582 PolarHBondContact O-ND2 3.1Å
549S97.7Very high96.9Very high0 Ų032.2 Ų32.20%018%0.181CC..SBendtrans58.7-1.2-167.3-580000115.9I546 S547 V552 L553 A583I546-S549 WeakPolarHBondContact O-CA 3.3Å; I546-S549 PolarHBondContact O-N 3.05Å; S547-S549 VanDerWaalsContact C-N 3.33Å; S549-V552 WeakPolarHBondContact O-CB 3.44Å; S549-V552 PolarHBondContact O-N 2.78Å; S549-V552 VanDerWaalsContact O-N 3.09Å; S549-L553 WeakPolarHBondContact O-CD1 3.46Å; S549-L553 VanDerWaalsContact O-CG 3.29Å; S549-L553 WeakPolarHBondContact O-CG 3.17Å; S549-L553 PolarHBondContact O-N 2.97Å; S549-A583 VanDerWaalsContact OG-CA 3.23Å; S549-A583 WeakPolarHBondContact OG-CA 3.28Å; S549-A583 WeakPolarHBondContact OG-CB 3.28Å; S549-A583 PolarHBondContact OG-N 3.2Å
550L96.6Very high96.8Very high33 Ų3328.8 Ų28.817%0.17315%0.154CC..Hα-helixtrans-60.2-44.1-179.2-60.8176.1000113.2T548 V552 L553 D554 T571T548-L550 PolarHBondContact O-N 3.48Å; T548-L550 WeakPolarHBondContact OG1-CB 3.42Å; T548-L550 WeakPolarHBondContact OG1-CG 3.32Å; T548-L550 PolarHBondContact OG1-N 3.18Å; L550-V552 PolarHBondContact O-N 3.4Å; L550-L553 HydrophobicContact CD2-CD1 4.41Å; L550-L553 PolarHBondContact O-N 3.45Å; L550-D554 WeakPolarHBondContact O-CB 3.46Å; L550-D554 VanDerWaalsContact O-CG 3.29Å; L550-D554 PolarHBondContact O-N 3.14Å; L550-T571 HydrophobicContact CD2-CG2 4.08Å
551P97.6Very high96.7Very high3 Ų331.3 Ų31.32%0.01917%0.17CC..Hα-helixtrans-61-32.4175.1-23.434.5000113.4I538 K545 L555I538-P551 HydrophobicContact CG2-CB 3.88Å; I538-P551 HydrophobicContact CG2-CG 4.26Å; K545-P551 HydrophobicContact CB-CG 4.17Å; P551-L555 VanDerWaalsContact O-CB 3.25Å; P551-L555 WeakPolarHBondContact O-CB 3.28Å; P551-L555 PolarHBondContact O-N 3.31Å; P551-L555 VanDerWaalsContact O-N 3.11Å
552V98Very high96.5Very high0 Ų033.9 Ų33.90%020%0.2CC..Hα-helixtrans-71.5-44.6177.3-179.60000110.1S549 L550 L555 I556 A586 L604 V615 F616 L619S549-V552 WeakPolarHBondContact O-CB 3.44Å; S549-V552 PolarHBondContact O-N 2.78Å; S549-V552 VanDerWaalsContact O-N 3.09Å; L550-V552 PolarHBondContact O-N 3.4Å; V552-L555 PolarHBondContact O-N 3.44Å; V552-I556 HydrophobicContact CG1-CD1 4.05Å; V552-I556 VanDerWaalsContact O-CG1 3.28Å; V552-I556 WeakPolarHBondContact O-CG1 3.45Å; V552-I556 PolarHBondContact O-N 3.04Å; V552-A586 HydrophobicContact CG1-CB 4.14Å; V552-L604 HydrophobicContact CG2-CD1 4.44Å; V552-L604 HydrophobicContact CG2-CD2 4.28Å; V552-V615 HydrophobicContact CG1-CG1 4.11Å; V552-F616 HydrophobicContact CG2-CE1 4.29Å; V552-F616 HydrophobicContact CG2-CE2 4.39Å; V552-F616 HydrophobicContact CG2-CZ 3.82Å; V552-L619 HydrophobicContact CG1-CD1 4.01Å
553L97.6Very high96.3Very high0 Ų027.5 Ų27.50%018%0.175CC..Hα-helixtrans-64.7-46.4178.6-68.4161.1000111.6S549 L550 L555 I556 D557 I564 L569 N582 Y585 A586S549-L553 WeakPolarHBondContact O-CD1 3.46Å; S549-L553 VanDerWaalsContact O-CG 3.29Å; S549-L553 WeakPolarHBondContact O-CG 3.17Å; S549-L553 PolarHBondContact O-N 2.97Å; L550-L553 HydrophobicContact CD2-CD1 4.41Å; L550-L553 PolarHBondContact O-N 3.45Å; L553-L555 VanDerWaalsContact C-N 3.26Å; L553-L555 PolarHBondContact O-N 3.5Å; L553-I556 PolarHBondContact O-N 2.74Å; L553-D557 PolarHBondContact O-N 3.17Å; L553-I564 HydrophobicContact CD2-CD1 3.86Å; L553-I564 WeakPolarHBondContact O-CG1 3.18Å; L553-L569 HydrophobicContact CD1-CD1 3.75Å; L553-L569 HydrophobicContact CD1-CD2 4.11Å; L553-L569 HydrophobicContact CD2-CD1 4.39Å; L553-L569 HydrophobicContact CG-CD1 4.47Å; L553-N582 HydrophobicContact CD1-CB 4.42Å; L553-Y585 HydrophobicContact CD2-CD1 3.61Å; L553-Y585 HydrophobicContact CD2-CE1 4.09Å; L553-A586 HydrophobicContact CD1-CB 4.44Å; L553-A586 HydrophobicContact CD2-CB 3.66Å; L553-A586 HydrophobicContact CG-CB 3.84Å
554D97.6Very high96.2Very high18 Ų1827.5 Ų27.510%0.09618%0.175CC..Hα-helixtrans-61.6-36.4176.2-71.5-24000112L529 K534 S536 L550 D557 A558 Y566L529-D554 HydrophobicContact CD2-CB 3.72Å; K534-D554 HydrophobicContact CB-CB 4.24Å; K534-D554 HydrophobicContact CD-CB 4.09Å; K534-D554 HydrophobicContact CG-CB 4.07Å; S536-D554 WeakPolarHBondContact CB-OD2 3.47Å; S536-D554 VanDerWaalsContact OG-CB 3.28Å; S536-D554 WeakPolarHBondContact OG-CB 3.44Å; S536-D554 VanDerWaalsContact OG-CG 3.29Å; S536-D554 PolarHBondContact OG-OD2 3.08Å; L550-D554 WeakPolarHBondContact O-CB 3.46Å; L550-D554 VanDerWaalsContact O-CG 3.29Å; L550-D554 PolarHBondContact O-N 3.14Å; D554-D557 PolarHBondContact O-N 2.64Å; D554-A558 WeakPolarHBondContact O-CB 3.36Å; D554-A558 PolarHBondContact O-N 2.81Å; D554-Y566 WeakPolarHBondContact OD1-CE1 3.48Å; D554-Y566 PolarHBondContact OD1-OH 2.77Å
555L98Very high96.1Very high0 Ų026.3 Ų26.30%016%0.163CC..Hα-helixtrans-69.3-40.4175.4-179.664.7000111.8W524 V525 T528 L529 P551 V552 L553 D557 A558 I559 F616 L619W524-L555 HydrophobicContact CH2-CD1 4.15Å; W524-L555 HydrophobicContact CZ3-CD1 3.96Å; W524-L555 HydrophobicContact CZ3-CD2 4.19Å; V525-L555 HydrophobicContact CG1-CD1 4.46Å; V525-L555 HydrophobicContact CG1-CD2 4.1Å; V525-L555 HydrophobicContact CG2-CD2 3.88Å; T528-L555 HydrophobicContact CG2-CD1 3.78Å; L529-L555 HydrophobicContact CD2-CB 4.08Å; L529-L555 HydrophobicContact CG-CD1 4.4Å; P551-L555 VanDerWaalsContact O-CB 3.25Å; P551-L555 WeakPolarHBondContact O-CB 3.28Å; P551-L555 PolarHBondContact O-N 3.31Å; P551-L555 VanDerWaalsContact O-N 3.11Å; V552-L555 PolarHBondContact O-N 3.44Å; L553-L555 VanDerWaalsContact C-N 3.26Å; L553-L555 PolarHBondContact O-N 3.5Å; L555-D557 VanDerWaalsContact C-N 3.31Å; L555-D557 PolarHBondContact O-N 3.21Å; L555-A558 PolarHBondContact O-N 2.77Å; L555-I559 HydrophobicContact CD1-CD1 4.31Å; L555-I559 HydrophobicContact CD1-CG1 4.43Å; L555-I559 HydrophobicContact CG-CD1 3.97Å; L555-I559 WeakPolarHBondContact O-CD1 3.47Å; L555-I559 VanDerWaalsContact O-CG1 3.24Å; L555-I559 WeakPolarHBondContact O-CG1 3.44Å; L555-I559 PolarHBondContact O-N 2.96Å; L555-F616 HydrophobicContact CD2-CD1 3.46Å; L555-F616 VanDerWaalsContact CD2-CD1 3.46Å; L555-F616 HydrophobicContact CD2-CE1 3.69Å; L555-L619 HydrophobicContact CD2-CB 4.14Å; L555-L619 HydrophobicContact CD2-CD1 3.89Å; L555-L619 HydrophobicContact CG-CD1 4.48Å
556I97.3Very high96Very high0 Ų024.4 Ų24.40%015%0.153CC..Hα-helixtrans-60.2-45174.4-69.9160.8000110.2V552 L553 A558 I559 Q560 I564 A586 M589 A590 I593 L619V552-I556 HydrophobicContact CG1-CD1 4.05Å; V552-I556 VanDerWaalsContact O-CG1 3.28Å; V552-I556 WeakPolarHBondContact O-CG1 3.45Å; V552-I556 PolarHBondContact O-N 3.04Å; L553-I556 PolarHBondContact O-N 2.74Å; I556-A558 VanDerWaalsContact C-N 3.35Å; I556-I559 PolarHBondContact O-N 3.15Å; I556-Q560 PolarHBondContact O-N 2.98Å; I556-I564 HydrophobicContact CB-CD1 4.14Å; I556-I564 HydrophobicContact CB-CG1 4.37Å; I556-I564 HydrophobicContact CG2-CD1 3.72Å; I556-I564 HydrophobicContact CG2-CG1 4.13Å; I556-A586 WeakPolarHBondContact CD1-O 3.31Å; I556-M589 HydrophobicContact CD1-CB 4.13Å; I556-M589 HydrophobicContact CG2-CB 4.33Å; I556-A590 HydrophobicContact CD1-CB 4.02Å; I556-I593 HydrophobicContact CG1-CD1 4.46Å; I556-I593 HydrophobicContact CG2-CD1 4.11Å; I556-I593 HydrophobicContact CG2-CG2 4.07Å; I556-L619 HydrophobicContact CD1-CD2 4.49Å; I556-L619 HydrophobicContact CG1-CD1 4.19Å; I556-L619 HydrophobicContact CG1-CD2 3.7Å
557D96.8Very high95.7Very high20 Ų2031.7 Ų31.711%0.10719%0.192CC..Hα-helixtrans-66.7-35.9176.5-165.657.9000112K534 L553 D554 L555 Q560 P561 G562 S563 I564 Y566K534-D557 WeakPolarHBondContact CE-OD2 3.23Å; K534-D557 IonicContact NZ-OD2 3.82Å; K534-D557 PolarHBondContact NZ-OD2 3.49Å; L553-D557 PolarHBondContact O-N 3.17Å; D554-D557 PolarHBondContact O-N 2.64Å; L555-D557 VanDerWaalsContact C-N 3.31Å; L555-D557 PolarHBondContact O-N 3.21Å; D557-Q560 CarbonylContact O-C 3.06Å; D557-Q560 PolarHBondContact O-N 3.18Å; D557-P561 WeakPolarHBondContact O-CA 3.43Å; D557-G562 WeakPolarHBondContact OD1-CA 3.24Å; D557-G562 PolarHBondContact OD1-N 2.92Å; D557-S563 PolarHBondContact OD1-N 3.36Å; D557-I564 HydrophobicContact CB-CB 4.15Å; D557-I564 HydrophobicContact CB-CG1 3.81Å; D557-Y566 HydrophobicContact CB-CE2 4.46Å
558A96.8Very high95.3Very high19 Ų1933.8 Ų33.816%0.15720%0.202CC..Hα-helixtrans-63.7-40.9172.900000112.1T528 A532 D554 L555 I556T528-A558 HydrophobicContact CG2-CB 3.98Å; A532-A558 HydrophobicContact CB-CB 3.42Å; A532-A558 VanDerWaalsContact CB-CB 3.42Å; D554-A558 WeakPolarHBondContact O-CB 3.36Å; D554-A558 PolarHBondContact O-N 2.81Å; L555-A558 PolarHBondContact O-N 2.77Å; I556-A558 VanDerWaalsContact C-N 3.35Å
559I95.3Very high95.1Very high9 Ų933.2 Ų33.25%0.04620%0.197CC..Hα-helixtrans-68.5-42.9177.1-68.8161.9000110.9W524 L555 I556 I593 L619 K622 R626W524-I559 HydrophobicContact CH2-CD1 4Å; W524-I559 HydrophobicContact CH2-CG1 4.11Å; L555-I559 HydrophobicContact CD1-CD1 4.31Å; L555-I559 HydrophobicContact CD1-CG1 4.43Å; L555-I559 HydrophobicContact CG-CD1 3.97Å; L555-I559 WeakPolarHBondContact O-CD1 3.47Å; L555-I559 VanDerWaalsContact O-CG1 3.24Å; L555-I559 WeakPolarHBondContact O-CG1 3.44Å; L555-I559 PolarHBondContact O-N 2.96Å; I556-I559 PolarHBondContact O-N 3.15Å; I559-I593 HydrophobicContact CB-CD1 4.46Å; I559-I593 HydrophobicContact CG2-CD1 4.04Å; I559-L619 HydrophobicContact CD1-CB 3.88Å; I559-L619 HydrophobicContact CD1-CD2 4.21Å; I559-L619 WeakPolarHBondContact CD1-O 3.44Å; I559-K622 HydrophobicContact CG2-CG 4.36Å; I559-R626 VanDerWaalsContact O-CZ 3.23Å; I559-R626 PolarHBondContact O-NH1 3.48Å
560Q94.4Very high94.7Very high18 Ų1837 Ų378%0.08421%0.214CC..SBendtrans-133.290.6179.5-174174.7-57.600109.9E192 I556 D557 G562 S563 I593E192-Q560 PolarHBondContact OE1-NE2 2.95Å; I556-Q560 PolarHBondContact O-N 2.98Å; D557-Q560 CarbonylContact O-C 3.06Å; D557-Q560 PolarHBondContact O-N 3.18Å; Q560-G562 PolarHBondContact O-N 3.25Å; Q560-S563 WeakPolarHBondContact O-CB 3.16Å; Q560-S563 PolarHBondContact O-N 3.28Å; Q560-S563 VanDerWaalsContact O-N 3.15Å; Q560-S563 PolarHBondContact O-OG 3.11Å; Q560-I593 HydrophobicContact CB-CG2 4.2Å
561P94.3Very high94.2Very high99 Ų9939 Ų3964%0.64323%0.227SC*.THydrogen-bonded Turntrans-57133.5-176.2-29.536.6000113.5D557 S563D557-P561 WeakPolarHBondContact O-CA 3.43Å; P561-S563 VanDerWaalsContact C-N 3.29Å
562G90.8Very high93.7Very high69 Ų6945.7 Ų45.771%0.71126%0.259SS*.THydrogen-bonded Turntrans78.610.2-179.900000114.1D557 Q560D557-G562 WeakPolarHBondContact OD1-CA 3.24Å; D557-G562 PolarHBondContact OD1-N 2.92Å; Q560-G562 PolarHBondContact O-N 3.25Å
563S91.9Very high93.2Very high18 Ų1852.5 Ų52.513%0.12630%0.295CS..  trans-78.4-26.7176.860.70000112.8D557 Q560 P561 M589D557-S563 PolarHBondContact OD1-N 3.36Å; Q560-S563 WeakPolarHBondContact O-CB 3.16Å; Q560-S563 PolarHBondContact O-N 3.28Å; Q560-S563 VanDerWaalsContact O-N 3.15Å; Q560-S563 PolarHBondContact O-OG 3.11Å; P561-S563 VanDerWaalsContact C-N 3.29Å; S563-M589 WeakPolarHBondContact O-CE 3.4Å
564I95.6Very high92.9Very high12 Ų1254 Ų546%0.06230%0.303CS..  trans-95.1126.4-179.7-59.9-60.1000110.1L553 I556 D557 Y566 L569 Y585 M589L553-I564 HydrophobicContact CD2-CD1 3.86Å; L553-I564 WeakPolarHBondContact O-CG1 3.18Å; I556-I564 HydrophobicContact CB-CD1 4.14Å; I556-I564 HydrophobicContact CB-CG1 4.37Å; I556-I564 HydrophobicContact CG2-CD1 3.72Å; I556-I564 HydrophobicContact CG2-CG1 4.13Å; D557-I564 HydrophobicContact CB-CB 4.15Å; D557-I564 HydrophobicContact CB-CG1 3.81Å; I564-Y566 HydrophobicContact CB-CD2 4.31Å; I564-Y566 HydrophobicContact CB-CE2 3.92Å; I564-Y566 HydrophobicContact CG2-CD1 4.13Å; I564-Y566 HydrophobicContact CG2-CD2 3.84Å; I564-Y566 HydrophobicContact CG2-CE1 4.04Å; I564-Y566 HydrophobicContact CG2-CE2 3.73Å; I564-Y566 HydrophobicContact CG2-CG 4.05Å; I564-L569 HydrophobicContact CG2-CD1 3.79Å; I564-Y585 HydrophobicContact CD1-CE1 4.03Å; I564-Y585 HydrophobicContact CG2-CE1 4.24Å; I564-M589 HydrophobicContact CD1-CB 3.84Å; I564-M589 HydrophobicContact CD1-CE 4.1Å; I564-M589 HydrophobicContact CD1-CG 3.74Å
565N93.7Very high92.7Very high73 Ų7356.7 Ų56.739%0.3932%0.317SS..  trans-93.398.3167.9-174.4-6.7000109.7D567 L568 Y585N565-D567 PolarHBondContact O-N 2.92Å; N565-D567 WeakPolarHBondContact OD1-CB 3.39Å; N565-D567 PolarHBondContact OD1-N 3.37Å; N565-D567 VanDerWaalsContact OD1-N 3.09Å; N565-L568 HydrophobicContact CB-CD1 4.01Å; N565-L568 HydrophobicContact CB-CG 4.18Å; N565-L568 PolarHBondContact O-N 3.39Å; N565-Y585 PolarHBondContact N-OH 2.89Å
566Y93.6Very high92.5Very high70 Ų7061.6 Ų61.628%0.27534%0.343SS..G310 helixtrans-66.7-19.5-178.7-70.1-88.6000114K534 D554 D557 I564 L568 L569K534-Y566 PolarHBondContact NZ-OH 3.43Å; D554-Y566 WeakPolarHBondContact OD1-CE1 3.48Å; D554-Y566 PolarHBondContact OD1-OH 2.77Å; D557-Y566 HydrophobicContact CB-CE2 4.46Å; I564-Y566 HydrophobicContact CB-CD2 4.31Å; I564-Y566 HydrophobicContact CB-CE2 3.92Å; I564-Y566 HydrophobicContact CG2-CD1 4.13Å; I564-Y566 HydrophobicContact CG2-CD2 3.84Å; I564-Y566 HydrophobicContact CG2-CE1 4.04Å; I564-Y566 HydrophobicContact CG2-CE2 3.73Å; I564-Y566 HydrophobicContact CG2-CG 4.05Å; Y566-L568 PolarHBondContact O-N 3.19Å; Y566-L569 HydrophobicContact CD1-CD1 3.92Å; Y566-L569 HydrophobicContact CE1-CD1 4.45Å; Y566-L569 HydrophobicContact CG-CD1 4.49Å; Y566-L569 WeakPolarHBondContact O-CB 3.42Å; Y566-L569 PolarHBondContact O-N 3.43Å; Y566-L569 VanDerWaalsContact O-N 3.07Å
567D92.6Very high92.3Very high153 Ų15367.6 Ų67.682%0.81838%0.376SS*.G310 helixtrans-67.2-19.6176.4-60.4-26.6000112.4N565 L569N565-D567 PolarHBondContact O-N 2.92Å; N565-D567 WeakPolarHBondContact OD1-CB 3.39Å; N565-D567 PolarHBondContact OD1-N 3.37Å; N565-D567 VanDerWaalsContact OD1-N 3.09Å; D567-L569 VanDerWaalsContact C-N 3.32Å
568L89.2Confident92.3Very high67 Ų6768.8 Ų68.835%0.35138%0.38SS..G310 helixtrans-87-5.2177-58.1179.4000112.9R178 N565 Y566 Y585R178-L568 HydrophobicContact CB-CD1 4.24Å; R178-L568 PolarHBondContact NH1-O 2.81Å; N565-L568 HydrophobicContact CB-CD1 4.01Å; N565-L568 HydrophobicContact CB-CG 4.18Å; N565-L568 PolarHBondContact O-N 3.39Å; Y566-L568 PolarHBondContact O-N 3.19Å; L568-Y585 HydrophobicContact CD1-CE2 4.1Å
569L91.1Very high92.3Very high17 Ų1769.9 Ų69.99%0.08938%0.381CS..SBendtrans-109.6142.1-171.7-60176.7000110.8L553 I564 Y566 D567 Y585L553-L569 HydrophobicContact CD1-CD1 3.75Å; L553-L569 HydrophobicContact CD1-CD2 4.11Å; L553-L569 HydrophobicContact CD2-CD1 4.39Å; L553-L569 HydrophobicContact CG-CD1 4.47Å; I564-L569 HydrophobicContact CG2-CD1 3.79Å; Y566-L569 HydrophobicContact CD1-CD1 3.92Å; Y566-L569 HydrophobicContact CE1-CD1 4.45Å; Y566-L569 HydrophobicContact CG-CD1 4.49Å; Y566-L569 WeakPolarHBondContact O-CB 3.42Å; Y566-L569 PolarHBondContact O-N 3.43Å; Y566-L569 VanDerWaalsContact O-N 3.07Å; D567-L569 VanDerWaalsContact C-N 3.32Å; L569-Y585 HydrophobicContact CD2-CD1 3.65Å; L569-Y585 HydrophobicContact CD2-CE1 4.16Å; L569-Y585 HydrophobicContact CD2-CG 4Å
570K89.8Confident92.3Very high79 Ų7971.5 Ų71.534%0.34339%0.39SS..  trans-90.5132.2164.8-159.5-179.2-178.1-162.30108.1E572 N573 L574 E578 N582K570-E572 VanDerWaalsContact CE-O 3.24Å; K570-E572 WeakPolarHBondContact CE-O 3.45Å; K570-N573 PolarHBondContact NZ-O 3.44Å; K570-L574 HydrophobicContact CB-CD2 3.64Å; K570-L574 HydrophobicContact CD-CD2 3.96Å; K570-L574 HydrophobicContact CG-CD2 3.72Å; K570-L574 VanDerWaalsContact O-CD2 3.29Å; K570-L574 WeakPolarHBondContact O-CD2 3.42Å; K570-E578 HydrophobicContact CD-CB 4.15Å; K570-E578 HydrophobicContact CD-CG 3.7Å; K570-E578 WeakPolarHBondContact CD-OE1 3.32Å; K570-E578 WeakPolarHBondContact CD-OE2 3.26Å; K570-E578 IonicContact NZ-OE1 2.98Å; K570-E578 PolarHBondContact NZ-OE1 2.92Å; K570-E578 IonicContact NZ-OE2 3.86Å; K570-E578 PolarHBondContact NZ-OE2 2.81Å; K570-N582 PolarHBondContact O-ND2 3.35Å
571T87.4Confident92.4Very high74 Ų7474 Ų7445%0.45440%0.404SS..  trans-114.6-21.4-176.354.10000113.4L550L550-T571 HydrophobicContact CD2-CG2 4.08Å
572E86.4Confident92.5Very high145 Ų14569.3 Ų69.368%0.67837%0.373SS*.SBendtrans-124.2152.5-176.9-63.5-175.3177.800111.6K570 L574K570-E572 VanDerWaalsContact CE-O 3.24Å; K570-E572 WeakPolarHBondContact CE-O 3.45Å; E572-L574 PolarHBondContact O-N 2.96Å
573N86.5Confident92.8Very high143 Ų14366 Ų6677%0.76534%0.34SS*.SBendtrans51.250.6176.9-58.4-49.8000113.1K570 N575 E578K570-N573 PolarHBondContact NZ-O 3.44Å; N573-N575 PolarHBondContact O-N 3.36Å; N573-E578 VanDerWaalsContact O-OE2 3.11Å
574L91.2Very high93.1Very high32 Ų3267.4 Ų67.417%0.16834%0.343CS..  trans-77.6116.9-175.7-57.3177.4000111.9T548 K570 E572 E578 K579T548-L574 HydrophobicContact CG2-CD1 3.77Å; K570-L574 HydrophobicContact CB-CD2 3.64Å; K570-L574 HydrophobicContact CD-CD2 3.96Å; K570-L574 HydrophobicContact CG-CD2 3.72Å; K570-L574 VanDerWaalsContact O-CD2 3.29Å; K570-L574 WeakPolarHBondContact O-CD2 3.42Å; E572-L574 PolarHBondContact O-N 2.96Å; L574-E578 VanDerWaalsContact CA-OE2 3.29Å; L574-E578 WeakPolarHBondContact CA-OE2 3.41Å; L574-E578 HydrophobicContact CD2-CB 3.99Å; L574-K579 HydrophobicContact CB-CG 4.01Å; L574-K579 HydrophobicContact CD1-CG 4.49Å
575N94Very high93.2Very high73 Ų7367.1 Ų67.139%0.3934%0.342SS..  trans-80.2176.9160.568.531.7000110.7N573 D577 E578 K579N573-N575 PolarHBondContact O-N 3.36Å; N575-D577 PolarHBondContact O-N 3.49Å; N575-D577 PolarHBondContact OD1-N 2.93Å; N575-D577 VanDerWaalsContact OD1-N 3.16Å; N575-E578 VanDerWaalsContact CG-OE2 3.28Å; N575-E578 PolarHBondContact N-OE2 3.22Å; N575-E578 PolarHBondContact ND2-OE1 3.43Å; N575-E578 PolarHBondContact ND2-OE2 3.46Å; N575-E578 PolarHBondContact O-N 3.27Å; N575-E578 WeakPolarHBondContact OD1-CB 3.13Å; N575-E578 WeakPolarHBondContact OD1-CG 3.1Å; N575-E578 PolarHBondContact OD1-N 3.1Å; N575-E578 PolarHBondContact OD1-OE2 3.25Å; N575-K579 WeakPolarHBondContact O-CG 3.45Å; N575-K579 PolarHBondContact O-N 2.89Å
576D93.3Very high93.4Very high104 Ų10463.7 Ų63.756%0.55632%0.323SS*.Hα-helixtrans-69.9-31.8-174.1-62.5-28.4000113.1E578 K579 L580D576-E578 VanDerWaalsContact C-N 3.34Å; D576-E578 PolarHBondContact O-N 3.13Å; D576-K579 PolarHBondContact O-N 3.49Å; D576-K579 IonicContact OD1-NZ 2.86Å; D576-K579 PolarHBondContact OD1-NZ 2.83Å; D576-L580 WeakPolarHBondContact O-CB 3.38Å; D576-L580 PolarHBondContact O-N 3.44Å
577D94.1Very high93.6Very high126 Ų12660.5 Ų60.567%0.67431%0.311SS*.Hα-helixtrans-65.3-38.7173.9-66.8-26.7000111.6N575 L580 N581N575-D577 PolarHBondContact O-N 3.49Å; N575-D577 PolarHBondContact OD1-N 2.93Å; N575-D577 VanDerWaalsContact OD1-N 3.16Å; D577-L580 PolarHBondContact O-N 2.87Å; D577-N581 VanDerWaalsContact O-CB 3.25Å; D577-N581 WeakPolarHBondContact O-CB 3.45Å; D577-N581 PolarHBondContact O-N 3.08Å
578E95.8Very high93.8Very high44 Ų4453.4 Ų53.421%0.20627%0.273CS..Hα-helixtrans-72-38.4179.1-68.8153.3172.700111.4K570 N573 L574 N575 D576 L580 N581 N582K570-E578 HydrophobicContact CD-CB 4.15Å; K570-E578 HydrophobicContact CD-CG 3.7Å; K570-E578 WeakPolarHBondContact CD-OE1 3.32Å; K570-E578 WeakPolarHBondContact CD-OE2 3.26Å; K570-E578 IonicContact NZ-OE1 2.98Å; K570-E578 PolarHBondContact NZ-OE1 2.92Å; K570-E578 IonicContact NZ-OE2 3.86Å; K570-E578 PolarHBondContact NZ-OE2 2.81Å; N573-E578 VanDerWaalsContact O-OE2 3.11Å; L574-E578 VanDerWaalsContact CA-OE2 3.29Å; L574-E578 WeakPolarHBondContact CA-OE2 3.41Å; L574-E578 HydrophobicContact CD2-CB 3.99Å; N575-E578 VanDerWaalsContact CG-OE2 3.28Å; N575-E578 PolarHBondContact N-OE2 3.22Å; N575-E578 PolarHBondContact ND2-OE1 3.43Å; N575-E578 PolarHBondContact ND2-OE2 3.46Å; N575-E578 PolarHBondContact O-N 3.27Å; N575-E578 WeakPolarHBondContact OD1-CB 3.13Å; N575-E578 WeakPolarHBondContact OD1-CG 3.1Å; N575-E578 PolarHBondContact OD1-N 3.1Å; N575-E578 PolarHBondContact OD1-OE2 3.25Å; D576-E578 VanDerWaalsContact C-N 3.34Å; D576-E578 PolarHBondContact O-N 3.13Å; E578-L580 VanDerWaalsContact C-N 3.35Å; E578-N581 PolarHBondContact O-N 2.79Å; E578-N582 PolarHBondContact O-N 3.18Å
579K96.8Very high94.2Very high42 Ų4250.3 Ų50.318%0.18326%0.257CS..Hα-helixtrans-60.9-45.1170-70.2175.5-163154.50111.2S547 L574 N575 D576 N581 N582 A583 V605S547-K579 WeakPolarHBondContact O-CB 3.44Å; S547-K579 WeakPolarHBondContact O-CG 3.43Å; L574-K579 HydrophobicContact CB-CG 4.01Å; L574-K579 HydrophobicContact CD1-CG 4.49Å; N575-K579 WeakPolarHBondContact O-CG 3.45Å; N575-K579 PolarHBondContact O-N 2.89Å; D576-K579 PolarHBondContact O-N 3.49Å; D576-K579 IonicContact OD1-NZ 2.86Å; D576-K579 PolarHBondContact OD1-NZ 2.83Å; K579-N581 VanDerWaalsContact C-N 3.34Å; K579-N582 PolarHBondContact O-N 3.12Å; K579-A583 WeakPolarHBondContact O-CB 3.43Å; K579-A583 PolarHBondContact O-N 3.31Å; K579-V605 HydrophobicContact CB-CG1 4.07Å; K579-V605 HydrophobicContact CB-CG2 4.04Å; K579-V605 HydrophobicContact CD-CG1 4.24Å
580L96.3Very high94.6Very high44 Ų4449.5 Ų49.523%0.2325%0.253CS..Hα-helixtrans-63.5-41.6177.9-176.563.6000111.6D576 D577 E578 A583 K584 P601 E602 V605D576-L580 WeakPolarHBondContact O-CB 3.38Å; D576-L580 PolarHBondContact O-N 3.44Å; D577-L580 PolarHBondContact O-N 2.87Å; E578-L580 VanDerWaalsContact C-N 3.35Å; L580-A583 PolarHBondContact O-N 3.39Å; L580-K584 WeakPolarHBondContact O-CG 3.36Å; L580-K584 PolarHBondContact O-N 3.4Å; L580-P601 HydrophobicContact CD1-CB 3.69Å; L580-E602 HydrophobicContact CD1-CG 3.98Å; L580-V605 HydrophobicContact CB-CG2 4.35Å; L580-V605 HydrophobicContact CD1-CG2 4.35Å
581N96.1Very high94.9Very high69 Ų6946.2 Ų46.237%0.36924%0.238SC..Hα-helixtrans-61.5-45.6175.9-173.1-50.3000111.7R178 D577 E578 K579 A583 K584 Y585R178-N581 VanDerWaalsContact CZ-OD1 3.23Å; R178-N581 PolarHBondContact NH1-OD1 2.82Å; R178-N581 PolarHBondContact NH2-O 2.89Å; R178-N581 PolarHBondContact NH2-OD1 3.05Å; D577-N581 VanDerWaalsContact O-CB 3.25Å; D577-N581 WeakPolarHBondContact O-CB 3.45Å; D577-N581 PolarHBondContact O-N 3.08Å; E578-N581 PolarHBondContact O-N 2.79Å; K579-N581 VanDerWaalsContact C-N 3.34Å; N581-A583 VanDerWaalsContact C-N 3.32Å; N581-A583 PolarHBondContact O-N 3.22Å; N581-K584 PolarHBondContact O-N 3.18Å; N581-Y585 PolarHBondContact O-N 2.67Å; N581-Y585 VanDerWaalsContact O-N 3.16Å
582N97.2Very high95.4Very high1 Ų143.3 Ų43.31%0.00522%0.219CC..Hα-helixtrans-62.5-39.3173.4-74.4-3.8000111.8T548 L553 K570 E578 K579 Y585 A586T548-N582 PolarHBondContact O-ND2 3.1Å; L553-N582 HydrophobicContact CD1-CB 4.42Å; K570-N582 PolarHBondContact O-ND2 3.35Å; E578-N582 PolarHBondContact O-N 3.18Å; K579-N582 PolarHBondContact O-N 3.12Å; N582-Y585 PolarHBondContact O-N 3.44Å; N582-A586 WeakPolarHBondContact O-CB 3.48Å; N582-A586 PolarHBondContact O-N 2.86Å
583A97.3Very high95.8Very high0 Ų036.4 Ų36.40%019%0.187CC..Hα-helixtrans-66.7-42.6178.700000112.4S549 K579 L580 N581 Y585 A586 I587 P601 L604 V605S549-A583 VanDerWaalsContact OG-CA 3.23Å; S549-A583 WeakPolarHBondContact OG-CA 3.28Å; S549-A583 WeakPolarHBondContact OG-CB 3.28Å; S549-A583 PolarHBondContact OG-N 3.2Å; K579-A583 WeakPolarHBondContact O-CB 3.43Å; K579-A583 PolarHBondContact O-N 3.31Å; L580-A583 PolarHBondContact O-N 3.39Å; N581-A583 VanDerWaalsContact C-N 3.32Å; N581-A583 PolarHBondContact O-N 3.22Å; A583-Y585 VanDerWaalsContact C-N 3.28Å; A583-Y585 PolarHBondContact O-N 3.37Å; A583-A586 PolarHBondContact O-N 3.37Å; A583-I587 WeakPolarHBondContact O-CG1 3.42Å; A583-I587 PolarHBondContact O-N 3.29Å; A583-P601 HydrophobicContact CB-CB 3.82Å; A583-P601 VanDerWaalsContact CB-O 3.32Å; A583-P601 WeakPolarHBondContact CB-O 3.25Å; A583-L604 HydrophobicContact CB-CB 4.2Å; A583-L604 HydrophobicContact CB-CD1 4.29Å; A583-V605 HydrophobicContact CB-CG2 3.99Å
584K96.9Very high96Very high47 Ų4730.7 Ų30.720%0.20416%0.162CC..Hα-helixtrans-55.8-45.1172.9-77.3-178.7173-167.40111.2D173 L580 N581 S588 P601D173-K584 IonicContact OD1-NZ 3.67Å; D173-K584 PolarHBondContact OD1-NZ 3.23Å; D173-K584 IonicContact OD2-NZ 3.21Å; D173-K584 PolarHBondContact OD2-NZ 2.87Å; L580-K584 WeakPolarHBondContact O-CG 3.36Å; L580-K584 PolarHBondContact O-N 3.4Å; N581-K584 PolarHBondContact O-N 3.18Å; K584-S588 WeakPolarHBondContact O-CB 3.25Å; K584-S588 PolarHBondContact O-N 2.94Å; K584-S588 PolarHBondContact O-OG 3.33Å; K584-P601 HydrophobicContact CB-CG 4.38Å; K584-P601 HydrophobicContact CG-CB 3.89Å; K584-P601 HydrophobicContact CG-CG 3.66Å
585Y97.8Very high96.1Very high7 Ų729.3 Ų29.33%0.02716%0.155CC..Hα-helixtrans-65.2-46.1176.3-171.2-94.3000111.8D176 R178 T179 L553 I564 N565 L568 L569 N581 N582 A583 I587 S588 M589D176-Y585 WeakPolarHBondContact OD2-CA 3.18Å; D176-Y585 PolarHBondContact OD2-N 3.26Å; R178-Y585 HydrophobicContact CB-CD2 4.41Å; R178-Y585 HydrophobicContact CB-CE2 4.32Å; T179-Y585 HydrophobicContact CG2-CD2 3.63Å; T179-Y585 HydrophobicContact CG2-CE2 3.63Å; T179-Y585 HydrophobicContact CG2-CG 4.32Å; L553-Y585 HydrophobicContact CD2-CD1 3.61Å; L553-Y585 HydrophobicContact CD2-CE1 4.09Å; I564-Y585 HydrophobicContact CD1-CE1 4.03Å; I564-Y585 HydrophobicContact CG2-CE1 4.24Å; N565-Y585 PolarHBondContact N-OH 2.89Å; L568-Y585 HydrophobicContact CD1-CE2 4.1Å; L569-Y585 HydrophobicContact CD2-CD1 3.65Å; L569-Y585 HydrophobicContact CD2-CE1 4.16Å; L569-Y585 HydrophobicContact CD2-CG 4Å; N581-Y585 PolarHBondContact O-N 2.67Å; N581-Y585 VanDerWaalsContact O-N 3.16Å; N582-Y585 PolarHBondContact O-N 3.44Å; A583-Y585 VanDerWaalsContact C-N 3.28Å; A583-Y585 PolarHBondContact O-N 3.37Å; Y585-I587 PolarHBondContact O-N 3.41Å; Y585-S588 PolarHBondContact O-N 3.21Å; Y585-M589 HydrophobicContact CD1-CG 3.82Å; Y585-M589 HydrophobicContact CE1-CG 3.48Å; Y585-M589 VanDerWaalsContact CE1-CG 3.48Å; Y585-M589 HydrophobicContact CE1-SD 4.38Å; Y585-M589 HydrophobicContact CE2-CG 4.35Å; Y585-M589 HydrophobicContact CG-CG 4.4Å; Y585-M589 WeakPolarHBondContact O-CB 3.35Å; Y585-M589 WeakPolarHBondContact O-CG 3.5Å; Y585-M589 PolarHBondContact O-N 3.21Å
586A97.9Very high95.8Very high0 Ų031.1 Ų31.10%016%0.156CC..Hα-helixtrans-60.9-46.3-179.400000113.1V552 L553 I556 N582 A583 S588 M589 A590 L604V552-A586 HydrophobicContact CG1-CB 4.14Å; L553-A586 HydrophobicContact CD1-CB 4.44Å; L553-A586 HydrophobicContact CD2-CB 3.66Å; L553-A586 HydrophobicContact CG-CB 3.84Å; I556-A586 WeakPolarHBondContact CD1-O 3.31Å; N582-A586 WeakPolarHBondContact O-CB 3.48Å; N582-A586 PolarHBondContact O-N 2.86Å; A583-A586 PolarHBondContact O-N 3.37Å; A586-S588 PolarHBondContact O-N 3.43Å; A586-M589 PolarHBondContact O-N 2.93Å; A586-A590 WeakPolarHBondContact O-CB 3.24Å; A586-A590 PolarHBondContact O-N 3.36Å; A586-L604 HydrophobicContact CB-CD1 4.37Å
587I97.8Very high95.8Very high4 Ų426.2 Ų26.22%0.02113%0.13CC..Hα-helixtrans-62.9-43.9178.2-65.7-65000110.7A583 Y585 A590 R591 V597 A599 L604 V615A583-I587 WeakPolarHBondContact O-CG1 3.42Å; A583-I587 PolarHBondContact O-N 3.29Å; Y585-I587 PolarHBondContact O-N 3.41Å; I587-A590 PolarHBondContact O-N 2.84Å; I587-R591 WeakPolarHBondContact O-CG 3.49Å; I587-R591 PolarHBondContact O-N 2.8Å; I587-V597 HydrophobicContact CD1-CG1 3.75Å; I587-A599 HydrophobicContact CD1-CB 4.27Å; I587-L604 HydrophobicContact CD1-CD1 3.87Å; I587-L604 HydrophobicContact CD1-CG 4.36Å; I587-L604 HydrophobicContact CG1-CD1 4.11Å; I587-V615 HydrophobicContact CD1-CG2 4.37Å
588S97.9Very high95.6Very high3 Ų321.1 Ų21.12%0.02110%0.102CC..Hα-helixtrans-65.2-42.4178-58.60000111.5D176 L196 K584 Y585 A586 R591 K592D176-S588 WeakPolarHBondContact CB-OG 3.35Å; D176-S588 PolarHBondContact N-OG 3.25Å; L196-S588 WeakPolarHBondContact CD1-O 3.44Å; K584-S588 WeakPolarHBondContact O-CB 3.25Å; K584-S588 PolarHBondContact O-N 2.94Å; K584-S588 PolarHBondContact O-OG 3.33Å; Y585-S588 PolarHBondContact O-N 3.21Å; A586-S588 PolarHBondContact O-N 3.43Å; S588-R591 PolarHBondContact O-N 3.33Å; S588-K592 WeakPolarHBondContact O-CB 3.38Å; S588-K592 PolarHBondContact O-N 3.06Å
589M97.8Very high95.4Very high2 Ų219 Ų191%0.019%0.092CC..Hα-helixtrans-65.1-39.5175.7-74.1-54.3-51.700112.8T179 I556 S563 I564 Y585 A586 R591 K592 I593T179-M589 HydrophobicContact CG2-CG 3.76Å; T179-M589 HydrophobicContact CG2-SD 3.55Å; T179-M589 VanDerWaalsContact CG2-SD 3.55Å; I556-M589 HydrophobicContact CD1-CB 4.13Å; I556-M589 HydrophobicContact CG2-CB 4.33Å; S563-M589 WeakPolarHBondContact O-CE 3.4Å; I564-M589 HydrophobicContact CD1-CB 3.84Å; I564-M589 HydrophobicContact CD1-CE 4.1Å; I564-M589 HydrophobicContact CD1-CG 3.74Å; Y585-M589 HydrophobicContact CD1-CG 3.82Å; Y585-M589 HydrophobicContact CE1-CG 3.48Å; Y585-M589 VanDerWaalsContact CE1-CG 3.48Å; Y585-M589 HydrophobicContact CE1-SD 4.38Å; Y585-M589 HydrophobicContact CE2-CG 4.35Å; Y585-M589 HydrophobicContact CG-CG 4.4Å; Y585-M589 WeakPolarHBondContact O-CB 3.35Å; Y585-M589 WeakPolarHBondContact O-CG 3.5Å; Y585-M589 PolarHBondContact O-N 3.21Å; A586-M589 PolarHBondContact O-N 2.93Å; M589-R591 VanDerWaalsContact C-N 3.32Å; M589-R591 PolarHBondContact O-N 3.46Å; M589-K592 HydrophobicContact CE-CD 3.95Å; M589-K592 WeakPolarHBondContact O-CB 3.23Å; M589-K592 PolarHBondContact O-N 3.05Å; M589-K592 HydrophobicContact SD-CD 3.9Å; M589-I593 PolarHBondContact O-N 2.75Å
590A97.6Very high95.2Very high0 Ų018.4 Ų18.40%09%0.09CC..Hα-helixtrans-58.4-46173.400000111.1I556 A586 I587 I593 G594 A595 V597 L619I556-A590 HydrophobicContact CD1-CB 4.02Å; A586-A590 WeakPolarHBondContact O-CB 3.24Å; A586-A590 PolarHBondContact O-N 3.36Å; I587-A590 PolarHBondContact O-N 2.84Å; A590-I593 WeakPolarHBondContact O-CG1 3.14Å; A590-G594 PolarHBondContact O-N 3.24Å; A590-A595 HydrophobicContact CB-CB 4.36Å; A590-A595 VanDerWaalsContact O-CB 3.26Å; A590-A595 WeakPolarHBondContact O-CB 3.47Å; A590-A595 PolarHBondContact O-N 2.93Å; A590-V597 HydrophobicContact CB-CG2 3.94Å; A590-L619 HydrophobicContact CB-CD2 3.96Å
591R97.3Very high95.2Very high10 Ų1017.1 Ų17.14%0.0388%0.084CC..Hα-helixtrans-64-40.3176-70.2177.1-175.7154.75.4112.3T174 L196 N199 S200 I587 S588 M589 G594 A595 V597T174-R591 PolarHBondContact O-NH1 3.41Å; L196-R591 HydrophobicContact CD1-CB 4.03Å; N199-R591 HydrophobicContact CB-CB 3.79Å; N199-R591 HydrophobicContact CB-CG 3.92Å; N199-R591 PolarHBondContact ND2-O 2.78Å; S200-R591 WeakPolarHBondContact OG-CD 3.3Å; I587-R591 WeakPolarHBondContact O-CG 3.49Å; I587-R591 PolarHBondContact O-N 2.8Å; S588-R591 PolarHBondContact O-N 3.33Å; M589-R591 VanDerWaalsContact C-N 3.32Å; M589-R591 PolarHBondContact O-N 3.46Å; R591-G594 WeakPolarHBondContact O-CA 3.2Å; R591-G594 PolarHBondContact O-N 3.35Å; R591-A595 WeakPolarHBondContact CA-O 3.32Å; R591-V597 PolarHBondContact NE-O 3.15Å; R591-V597 PolarHBondContact NH2-O 3.42Å; R591-V597 VanDerWaalsContact NH2-O 3.15Å
592K96.8Very high95.1Very high13 Ų1316.4 Ų16.46%0.0578%0.079CC..Hα-helixtrans-60.8-44.1178.4-173.4178.2179.4179.90112.7T179 N181 E192 N195 L196 S588 M589 G594T179-K592 WeakPolarHBondContact O-CD 3.35Å; T179-K592 VanDerWaalsContact O-CE 3.32Å; T179-K592 WeakPolarHBondContact O-CE 3.47Å; T179-K592 PolarHBondContact O-NZ 3.37Å; N181-K592 VanDerWaalsContact CG-NZ 3.34Å; N181-K592 VanDerWaalsContact ND2-CE 3.28Å; N181-K592 WeakPolarHBondContact ND2-CE 3.33Å; N181-K592 PolarHBondContact ND2-NZ 3.44Å; N181-K592 PolarHBondContact OD1-NZ 2.92Å; E192-K592 HydrophobicContact CB-CD 4.36Å; E192-K592 HydrophobicContact CB-CG 3.81Å; E192-K592 HydrophobicContact CG-CG 4.38Å; E192-K592 WeakPolarHBondContact OE2-CE 3.33Å; E192-K592 IonicContact OE2-NZ 2.72Å; N195-K592 WeakPolarHBondContact CB-O 3.37Å; L196-K592 HydrophobicContact CB-CB 4.17Å; L196-K592 HydrophobicContact CB-CG 4.41Å; L196-K592 HydrophobicContact CD1-CB 4.39Å; S588-K592 WeakPolarHBondContact O-CB 3.38Å; S588-K592 PolarHBondContact O-N 3.06Å; M589-K592 HydrophobicContact CE-CD 3.95Å; M589-K592 WeakPolarHBondContact O-CB 3.23Å; M589-K592 PolarHBondContact O-N 3.05Å; M589-K592 HydrophobicContact SD-CD 3.9Å; K592-G594 PolarHBondContact O-N 3.31Å
593I94.9Very high95Very high1 Ų116.5 Ų16.51%0.0058%0.079CC..Hα-helixtrans-72.7-9.6176.268.4158.2000112.8I556 I559 Q560 M589 A590 L619 K622I556-I593 HydrophobicContact CG1-CD1 4.46Å; I556-I593 HydrophobicContact CG2-CD1 4.11Å; I556-I593 HydrophobicContact CG2-CG2 4.07Å; I559-I593 HydrophobicContact CB-CD1 4.46Å; I559-I593 HydrophobicContact CG2-CD1 4.04Å; Q560-I593 HydrophobicContact CB-CG2 4.2Å; M589-I593 PolarHBondContact O-N 2.75Å; A590-I593 WeakPolarHBondContact O-CG1 3.14Å; I593-L619 HydrophobicContact CD1-CD2 3.92Å; I593-K622 HydrophobicContact CD1-CG 4.1Å; I593-K622 HydrophobicContact CG1-CG 4.41Å; I593-K622 VanDerWaalsContact O-CD 3.26Å; I593-K622 WeakPolarHBondContact O-CD 3.43Å; I593-K622 WeakPolarHBondContact O-CE 3.25Å; I593-K622 PolarHBondContact O-NZ 3.48Å
594G91.8Very high94.9Very high23 Ų2316.5 Ų16.524%0.2378%0.079CC..THydrogen-bonded Turntrans107.911.1173.900000115.3N199 A590 R591 K592N199-G594 WeakPolarHBondContact ND2-CA 3.31Å; A590-G594 PolarHBondContact O-N 3.24Å; R591-G594 WeakPolarHBondContact O-CA 3.2Å; R591-G594 PolarHBondContact O-N 3.35Å; K592-G594 PolarHBondContact O-N 3.31Å
595A92.3Very high94.9Very high2 Ų215.6 Ų15.62%0.0178%0.078CC..  trans-79.3131.2174.900000110.9A590 R591 V597 C618 L619A590-A595 HydrophobicContact CB-CB 4.36Å; A590-A595 VanDerWaalsContact O-CB 3.26Å; A590-A595 WeakPolarHBondContact O-CB 3.47Å; A590-A595 PolarHBondContact O-N 2.93Å; R591-A595 WeakPolarHBondContact CA-O 3.32Å; A595-V597 HydrophobicContact CB-CG2 4.05Å; A595-V597 PolarHBondContact O-N 3.23Å; A595-C618 HydrophobicContact CB-CB 4.24Å; A595-L619 HydrophobicContact CB-CD2 4.02Å
596R88.9Confident94.9Very high112 Ų11220.6 Ų20.642%0.42310%0.101SC..  trans-84.673.4-178.3-69.7-178.2178.2-178.3-0.7111.6N199 C618N199-R596 WeakPolarHBondContact OD1-CG 3.46Å; R596-C618 PolarHBondContact O-SG 3.31Å
597V92.1Very high94.8Very high1 Ų121.6 Ų21.61%0.00611%0.107CC..  trans-93.9120.9-175.1-179.10000112.1I587 A590 R591 A595 A599 V615 C618I587-V597 HydrophobicContact CD1-CG1 3.75Å; A590-V597 HydrophobicContact CB-CG2 3.94Å; R591-V597 PolarHBondContact NE-O 3.15Å; R591-V597 PolarHBondContact NH2-O 3.42Å; R591-V597 VanDerWaalsContact NH2-O 3.15Å; A595-V597 HydrophobicContact CB-CG2 4.05Å; A595-V597 PolarHBondContact O-N 3.23Å; V597-A599 HydrophobicContact CG1-CB 3.92Å; V597-V615 HydrophobicContact CG1-CG2 3.81Å; V597-C618 HydrophobicContact CG2-CB 4.02Å
598Y90.9Very high94.7Very high19 Ų1923.2 Ų23.28%0.07512%0.116CC..  trans-95.1-14174.3-64-86.9000113.6S202 W403 S406 M499S202-Y598 WeakPolarHBondContact O-CE1 3.33Å; S202-Y598 PolarHBondContact OG-OH 2.72Å; W403-Y598 HydrophobicContact CB-CD1 4.15Å; W403-Y598 HydrophobicContact CB-CE1 4.33Å; W403-Y598 HydrophobicContact CB-CG 4.36Å; W403-Y598 AromaticContact CD1-CE2 3.85Å; S406-Y598 PolarHBondContact OG-OH 3.3Å; M499-Y598 HydrophobicContact CE-CD2 4.15Å; M499-Y598 HydrophobicContact CE-CG 4.35Å
599A91.7Very high94.4Very high0 Ų025.4 Ų25.40%013%0.13CC..  trans-59.9146.2178.700000111.9I587 V597 D603 M611 V615I587-A599 HydrophobicContact CD1-CB 4.27Å; V597-A599 HydrophobicContact CG1-CB 3.92Å; A599-D603 HydrophobicContact CB-CB 4.43Å; A599-M611 HydrophobicContact CB-CB 4.21Å; A599-M611 HydrophobicContact CB-CE 4.15Å; A599-V615 HydrophobicContact CB-CG2 3.5Å; A599-V615 VanDerWaalsContact CB-CG2 3.5Å
600L92.6Very high94.1Very high29 Ų2928.5 Ų28.515%0.15214%0.144CC..  trans-89.3157.5174.5-59.6175000110.2R395 R398 E602 D603R395-L600 HydrophobicContact CB-CD1 3.96Å; R395-L600 HydrophobicContact CG-CD1 4.07Å; R398-L600 VanDerWaalsContact NH2-CD1 3.26Å; L600-E602 WeakPolarHBondContact CB-OE2 3.41Å; L600-E602 PolarHBondContact O-N 3.13Å; L600-D603 PolarHBondContact N-OD2 2.86Å; L600-D603 WeakPolarHBondContact O-CB 3.46Å; L600-D603 PolarHBondContact O-N 2.85Å; L600-D603 VanDerWaalsContact O-N 3.07Å
601P95Very high93.9Very high16 Ų1628.6 Ų28.610%0.10414%0.144CC..Hα-helixtrans-53-40.6175.8-28.837.7000113.1L580 A583 K584 D603 L604 V605L580-P601 HydrophobicContact CD1-CB 3.69Å; A583-P601 HydrophobicContact CB-CB 3.82Å; A583-P601 VanDerWaalsContact CB-O 3.32Å; A583-P601 WeakPolarHBondContact CB-O 3.25Å; K584-P601 HydrophobicContact CB-CG 4.38Å; K584-P601 HydrophobicContact CG-CB 3.89Å; K584-P601 HydrophobicContact CG-CG 3.66Å; P601-D603 VanDerWaalsContact C-N 3.26Å; P601-D603 PolarHBondContact O-N 3.38Å; P601-L604 WeakPolarHBondContact O-CB 3.18Å; P601-L604 PolarHBondContact O-N 3.18Å; P601-L604 VanDerWaalsContact O-N 3.12Å; P601-V605 PolarHBondContact O-N 3.14Å
602E94.8Very high93.8Very high54 Ų5428.1 Ų28.125%0.25214%0.142SC..Hα-helixtrans-65.2-29.3-179.4-57.974.8-165.900112.5L580 L600 L604 V605 E606L580-E602 HydrophobicContact CD1-CG 3.98Å; L600-E602 WeakPolarHBondContact CB-OE2 3.41Å; L600-E602 PolarHBondContact O-N 3.13Å; E602-L604 PolarHBondContact O-N 2.98Å; E602-V605 PolarHBondContact O-N 3.13Å; E602-E606 WeakPolarHBondContact O-CB 3.4Å; E602-E606 WeakPolarHBondContact O-CG 3.11Å; E602-E606 PolarHBondContact O-N 3.25Å
603D94.9Very high93.6Very high4 Ų427.7 Ų27.72%0.02114%0.14CC..Hα-helixtrans-63.3-30.1176-70.2-53000112A599 L600 P601 V607 N608 M611A599-D603 HydrophobicContact CB-CB 4.43Å; L600-D603 PolarHBondContact N-OD2 2.86Å; L600-D603 WeakPolarHBondContact O-CB 3.46Å; L600-D603 PolarHBondContact O-N 2.85Å; L600-D603 VanDerWaalsContact O-N 3.07Å; P601-D603 VanDerWaalsContact C-N 3.26Å; P601-D603 PolarHBondContact O-N 3.38Å; D603-V607 PolarHBondContact O-N 3.25Å; D603-N608 HydrophobicContact CB-CB 4.13Å; D603-N608 PolarHBondContact O-N 3.11Å; D603-N608 PolarHBondContact OD1-ND2 3.32Å; D603-N608 VanDerWaalsContact OD1-ND2 3.14Å; D603-M611 HydrophobicContact CB-CB 3.68Å; D603-M611 HydrophobicContact CB-CG 4.23Å; D603-M611 WeakPolarHBondContact OD2-CE 3.25Å
604L96.5Very high93.4Very high0 Ų027.8 Ų27.80%014%0.141CC..Hα-helixtrans-76.1-46.6173.6-65.2-177.8000110.9I546 S547 V552 A583 A586 I587 P601 E602 E606 V607 V612 V615I546-L604 HydrophobicContact CG2-CD2 4.24Å; S547-L604 WeakPolarHBondContact CA-O 3.27Å; V552-L604 HydrophobicContact CG2-CD1 4.44Å; V552-L604 HydrophobicContact CG2-CD2 4.28Å; A583-L604 HydrophobicContact CB-CB 4.2Å; A583-L604 HydrophobicContact CB-CD1 4.29Å; A586-L604 HydrophobicContact CB-CD1 4.37Å; I587-L604 HydrophobicContact CD1-CD1 3.87Å; I587-L604 HydrophobicContact CD1-CG 4.36Å; I587-L604 HydrophobicContact CG1-CD1 4.11Å; P601-L604 WeakPolarHBondContact O-CB 3.18Å; P601-L604 PolarHBondContact O-N 3.18Å; P601-L604 VanDerWaalsContact O-N 3.12Å; E602-L604 PolarHBondContact O-N 2.98Å; L604-E606 VanDerWaalsContact C-N 3.33Å; L604-E606 PolarHBondContact O-N 2.89Å; L604-V607 PolarHBondContact O-N 3.38Å; L604-V607 VanDerWaalsContact O-N 3.08Å; L604-V612 HydrophobicContact CD2-CG2 4.13Å; L604-V615 HydrophobicContact CD2-CG2 4.17Å
605V96.8Very high93.6Very high28 Ų2826.7 Ų26.717%0.1713%0.13CC..Hα-helixtrans-59.9-43.8-178.6179.80000111.3S547 K579 L580 A583 P601 E602 V607S547-V605 WeakPolarHBondContact CB-O 3.3Å; K579-V605 HydrophobicContact CB-CG1 4.07Å; K579-V605 HydrophobicContact CB-CG2 4.04Å; K579-V605 HydrophobicContact CD-CG1 4.24Å; L580-V605 HydrophobicContact CB-CG2 4.35Å; L580-V605 HydrophobicContact CD1-CG2 4.35Å; A583-V605 HydrophobicContact CB-CG2 3.99Å; P601-V605 PolarHBondContact O-N 3.14Å; E602-V605 PolarHBondContact O-N 3.13Å; V605-V607 VanDerWaalsContact C-N 3.29Å
606E96.6Very high93.8Very high111 Ų11126.6 Ų26.652%0.51913%0.129SC..THydrogen-bonded Turntrans-83-6.5178.8-64.9173.4-159.600113.3R395 E602 L604R395-E606 IonicContact CZ-OE1 3.58Å; R395-E606 VanDerWaalsContact CZ-OE1 3.27Å; R395-E606 IonicContact CZ-OE2 3.07Å; R395-E606 IonicContact NH1-OE1 2.81Å; R395-E606 PolarHBondContact NH1-OE1 2.83Å; R395-E606 IonicContact NH1-OE2 2.89Å; R395-E606 IonicContact NH2-OE1 3.65Å; R395-E606 PolarHBondContact NH2-OE1 3.35Å; R395-E606 IonicContact NH2-OE2 2.79Å; R395-E606 PolarHBondContact NH2-OE2 2.89Å; E602-E606 WeakPolarHBondContact O-CB 3.4Å; E602-E606 WeakPolarHBondContact O-CG 3.11Å; E602-E606 PolarHBondContact O-N 3.25Å; L604-E606 VanDerWaalsContact C-N 3.33Å; L604-E606 PolarHBondContact O-N 2.89Å
607V96.9Very high93.9Very high21 Ų2121.3 Ų21.313%0.12711%0.109CC..THydrogen-bonded Turntrans56.151.5-177.9-163.20000111.2I546 D603 L604 V605 P609I546-V607 HydrophobicContact CB-CG1 4.23Å; I546-V607 HydrophobicContact CB-CG2 4.42Å; I546-V607 HydrophobicContact CD1-CG1 4.43Å; D603-V607 PolarHBondContact O-N 3.25Å; L604-V607 PolarHBondContact O-N 3.38Å; L604-V607 VanDerWaalsContact O-N 3.08Å; V605-V607 VanDerWaalsContact C-N 3.29Å; V607-P609 WeakPolarHBondContact O-CD 3.32Å; V607-P609 VanDerWaalsContact O-N 3.14Å
608N94.8Very high93.9Very high39 Ų3922.6 Ų22.621%0.20912%0.118CC..  trans-66.5108175.2-179.5-22000109.5D603 K610 M611 V612D603-N608 HydrophobicContact CB-CB 4.13Å; D603-N608 PolarHBondContact O-N 3.11Å; D603-N608 PolarHBondContact OD1-ND2 3.32Å; D603-N608 VanDerWaalsContact OD1-ND2 3.14Å; N608-K610 VanDerWaalsContact C-N 3.26Å; N608-K610 PolarHBondContact O-N 3.4Å; N608-K610 VanDerWaalsContact O-N 3.15Å; N608-K610 PolarHBondContact OD1-N 3.19Å; N608-M611 HydrophobicContact CB-CB 4.18Å; N608-M611 HydrophobicContact CB-CG 4.32Å; N608-M611 WeakPolarHBondContact ND2-CG 3.29Å; N608-M611 PolarHBondContact O-N 3.36Å; N608-M611 VanDerWaalsContact O-N 3.1Å; N608-V612 VanDerWaalsContact O-CB 3.32Å; N608-V612 WeakPolarHBondContact O-CB 3.46Å; N608-V612 WeakPolarHBondContact O-CG2 3.47Å; N608-V612 PolarHBondContact O-N 3.29Å
609P92.6Very high94.1Very high49 Ų4921.7 Ų21.732%0.31811%0.114SC..Hα-helixtrans-66.1-30.5-164.8-23.536.7000113.3K542 V607 M613K542-P609 HydrophobicContact CD-CG 4.36Å; K542-P609 HydrophobicContact CG-CB 3.93Å; K542-P609 HydrophobicContact CG-CG 3.61Å; V607-P609 WeakPolarHBondContact O-CD 3.32Å; V607-P609 VanDerWaalsContact O-N 3.14Å; P609-M613 WeakPolarHBondContact O-CB 3.42Å; P609-M613 PolarHBondContact O-N 3.17Å; P609-M613 VanDerWaalsContact O-N 3.13Å
610K91.1Very high94.1Very high66 Ų6621.9 Ų21.929%0.28712%0.116SC..Hα-helixtrans-63.7-52.4176.1-69.8-175.2-174.5174.50110.1E396 W496 N608 M613 T614E396-K610 IonicContact OE1-NZ 3.33Å; E396-K610 PolarHBondContact OE1-NZ 2.89Å; W496-K610 HydrophobicContact CD2-CB 4.3Å; W496-K610 HydrophobicContact CD2-CD 3.66Å; W496-K610 HydrophobicContact CD2-CG 4.02Å; W496-K610 HydrophobicContact CE3-CB 4.03Å; W496-K610 HydrophobicContact CE3-CD 3.96Å; W496-K610 HydrophobicContact CE3-CG 4.26Å; W496-K610 HydrophobicContact CG-CD 4.01Å; W496-K610 VanDerWaalsContact CH2-CA 3.44Å; W496-K610 HydrophobicContact CH2-CB 3.43Å; W496-K610 VanDerWaalsContact CH2-CB 3.43Å; W496-K610 HydrophobicContact CH2-CG 3.91Å; W496-K610 VanDerWaalsContact CH2-O 3.25Å; W496-K610 WeakPolarHBondContact CH2-O 3.42Å; W496-K610 HydrophobicContact CZ2-CB 3.71Å; W496-K610 HydrophobicContact CZ2-CD 4.23Å; W496-K610 HydrophobicContact CZ2-CG 3.61Å; W496-K610 HydrophobicContact CZ3-CB 3.61Å; W496-K610 HydrophobicContact CZ3-CD 4.38Å; W496-K610 HydrophobicContact CZ3-CG 4.22Å; N608-K610 VanDerWaalsContact C-N 3.26Å; N608-K610 PolarHBondContact O-N 3.4Å; N608-K610 VanDerWaalsContact O-N 3.15Å; N608-K610 PolarHBondContact OD1-N 3.19Å; K610-M613 PolarHBondContact O-N 2.97Å; K610-T614 PolarHBondContact O-N 3.38Å
611M92.1Very high93.9Very high2 Ų220.9 Ų20.91%0.0111%0.112CC..Hα-helixtrans-72.6-43.4-173.9-60.7-58.5-82.100111.1T399 A599 D603 N608 M613 T614 V615T399-M611 HydrophobicContact CG2-CE 3.14Å; T399-M611 HydrophobicContact CG2-SD 4.24Å; A599-M611 HydrophobicContact CB-CB 4.21Å; A599-M611 HydrophobicContact CB-CE 4.15Å; D603-M611 HydrophobicContact CB-CB 3.68Å; D603-M611 HydrophobicContact CB-CG 4.23Å; D603-M611 WeakPolarHBondContact OD2-CE 3.25Å; N608-M611 HydrophobicContact CB-CB 4.18Å; N608-M611 HydrophobicContact CB-CG 4.32Å; N608-M611 WeakPolarHBondContact ND2-CG 3.29Å; N608-M611 PolarHBondContact O-N 3.36Å; N608-M611 VanDerWaalsContact O-N 3.1Å; M611-M613 VanDerWaalsContact C-N 3.31Å; M611-M613 PolarHBondContact O-N 3.44Å; M611-T614 PolarHBondContact O-N 3.47Å; M611-T614 PolarHBondContact O-OG1 3.07Å; M611-V615 WeakPolarHBondContact O-CG2 3.49Å; M611-V615 PolarHBondContact O-N 3.02Å
612V95.1Very high93.6Very high0 Ų022.9 Ų22.90%012%0.119CC..Hα-helixtrans-54-45.5172.9168.70000111.7F541 I546 L604 N608 T614 V615 F616F541-V612 HydrophobicContact CB-CB 4.49Å; F541-V612 HydrophobicContact CB-CG1 3.97Å; F541-V612 HydrophobicContact CD1-CG1 4.14Å; F541-V612 HydrophobicContact CG-CG1 4.48Å; I546-V612 HydrophobicContact CD1-CG1 3.75Å; I546-V612 HydrophobicContact CG2-CG1 4.08Å; I546-V612 HydrophobicContact CG2-CG2 3.98Å; L604-V612 HydrophobicContact CD2-CG2 4.13Å; N608-V612 VanDerWaalsContact O-CB 3.32Å; N608-V612 WeakPolarHBondContact O-CB 3.46Å; N608-V612 WeakPolarHBondContact O-CG2 3.47Å; N608-V612 PolarHBondContact O-N 3.29Å; V612-T614 VanDerWaalsContact C-N 3.3Å; V612-T614 PolarHBondContact O-N 3.33Å; V612-V615 PolarHBondContact O-N 3.19Å; V612-F616 HydrophobicContact CG1-CD2 3.79Å; V612-F616 HydrophobicContact CG1-CE2 3.68Å; V612-F616 WeakPolarHBondContact O-CD2 3.26Å; V612-F616 PolarHBondContact O-N 2.92Å; V612-F616 VanDerWaalsContact O-N 3.15Å
613M92.9Very high93.2Very high4 Ų421 Ų212%0.0211%0.114CC..Hα-helixtrans-57.2-44.8175.6179.3-87.2-77.700111.5W496 R500 F541 P609 K610 M611 V615 F616 A617W496-M613 HydrophobicContact CH2-CE 3.52Å; W496-M613 HydrophobicContact CZ2-CE 3.79Å; R500-M613 HydrophobicContact CB-CE 4.42Å; R500-M613 HydrophobicContact CG-CE 3.75Å; F541-M613 HydrophobicContact CD1-CB 4.26Å; F541-M613 HydrophobicContact CD2-CB 3.55Å; F541-M613 HydrophobicContact CD2-CG 3.73Å; F541-M613 HydrophobicContact CE1-CB 4.36Å; F541-M613 HydrophobicContact CE1-CG 4.4Å; F541-M613 HydrophobicContact CE2-CB 3.65Å; F541-M613 HydrophobicContact CE2-CG 3.28Å; F541-M613 HydrophobicContact CG-CB 3.86Å; F541-M613 HydrophobicContact CG-CG 4.43Å; F541-M613 HydrophobicContact CZ-CB 4.07Å; F541-M613 HydrophobicContact CZ-CG 3.67Å; P609-M613 WeakPolarHBondContact O-CB 3.42Å; P609-M613 PolarHBondContact O-N 3.17Å; P609-M613 VanDerWaalsContact O-N 3.13Å; K610-M613 PolarHBondContact O-N 2.97Å; M611-M613 VanDerWaalsContact C-N 3.31Å; M611-M613 PolarHBondContact O-N 3.44Å; M613-V615 VanDerWaalsContact C-N 3.32Å; M613-V615 PolarHBondContact O-N 3.44Å; M613-F616 PolarHBondContact O-N 3.26Å; M613-A617 VanDerWaalsContact O-CB 3.25Å; M613-A617 WeakPolarHBondContact O-CB 3.43Å; M613-A617 PolarHBondContact O-N 3.14Å; M613-A617 HydrophobicContact SD-CB 4.35Å
614T92.1Very high92.7Very high3 Ų323.7 Ų23.72%0.01813%0.127CC..Hα-helixtrans-64.2-35.5178.868.60000112.6W496 M499 K610 M611 V612 A617 C618W496-T614 HydrophobicContact CH2-CG2 4.23Å; W496-T614 HydrophobicContact CZ3-CG2 4.03Å; M499-T614 HydrophobicContact CE-CG2 4.36Å; K610-T614 PolarHBondContact O-N 3.38Å; M611-T614 PolarHBondContact O-N 3.47Å; M611-T614 PolarHBondContact O-OG1 3.07Å; V612-T614 VanDerWaalsContact C-N 3.3Å; V612-T614 PolarHBondContact O-N 3.33Å; T614-A617 PolarHBondContact O-N 2.96Å; T614-C618 WeakPolarHBondContact O-CB 2.91Å; T614-C618 PolarHBondContact O-N 2.78Å; T614-C618 PolarHBondContact O-SG 2.8Å
615V95Very high91.2Very high0 Ų030.6 Ų30.60%016%0.158CC..Hα-helixtrans-60.9-53.4175.5179.80000110.5V552 I587 V597 A599 L604 M611 V612 M613 A617 C618 L619V552-V615 HydrophobicContact CG1-CG1 4.11Å; I587-V615 HydrophobicContact CD1-CG2 4.37Å; V597-V615 HydrophobicContact CG1-CG2 3.81Å; A599-V615 HydrophobicContact CB-CG2 3.5Å; A599-V615 VanDerWaalsContact CB-CG2 3.5Å; L604-V615 HydrophobicContact CD2-CG2 4.17Å; M611-V615 WeakPolarHBondContact O-CG2 3.49Å; M611-V615 PolarHBondContact O-N 3.02Å; V612-V615 PolarHBondContact O-N 3.19Å; M613-V615 VanDerWaalsContact C-N 3.32Å; M613-V615 PolarHBondContact O-N 3.44Å; V615-A617 VanDerWaalsContact C-N 3.35Å; V615-A617 PolarHBondContact O-N 2.84Å; V615-C618 PolarHBondContact O-N 3.45Å; V615-L619 HydrophobicContact CG1-CD1 4.06Å; V615-L619 WeakPolarHBondContact O-CG 3.13Å; V615-L619 PolarHBondContact O-N 2.63Å
616F95.5Very high89Confident0 Ų035.8 Ų35.80%017%0.174CC..Hα-helixtrans-64.3-38.9179.9-75.8-67.5000112.4I521 V525 I538 F541 I546 V552 L555 V612 M613 L619 M620I521-F616 HydrophobicContact CG2-CB 3.91Å; V525-F616 HydrophobicContact CB-CD1 4.48Å; V525-F616 HydrophobicContact CG1-CD1 4.11Å; V525-F616 HydrophobicContact CG1-CE1 3.94Å; V525-F616 HydrophobicContact CG2-CB 4.18Å; V525-F616 HydrophobicContact CG2-CD1 3.52Å; V525-F616 HydrophobicContact CG2-CE1 4.22Å; V525-F616 HydrophobicContact CG2-CG 4.11Å; I538-F616 HydrophobicContact CD1-CD2 4.26Å; I538-F616 HydrophobicContact CD1-CE1 4.23Å; I538-F616 HydrophobicContact CD1-CE2 3.95Å; I538-F616 HydrophobicContact CD1-CZ 3.94Å; I538-F616 HydrophobicContact CG2-CZ 4.41Å; F541-F616 AromaticContact CD1-CD2 3.96Å; F541-F616 HydrophobicContact CD1-CD2 3.96Å; F541-F616 HydrophobicContact CE1-CB 4.04Å; F541-F616 HydrophobicContact CE1-CD2 4.03Å; F541-F616 HydrophobicContact CE1-CG 4.33Å; I546-F616 HydrophobicContact CD1-CE2 4.05Å; I546-F616 HydrophobicContact CG1-CE2 4.4Å; V552-F616 HydrophobicContact CG2-CE1 4.29Å; V552-F616 HydrophobicContact CG2-CE2 4.39Å; V552-F616 HydrophobicContact CG2-CZ 3.82Å; L555-F616 HydrophobicContact CD2-CD1 3.46Å; L555-F616 VanDerWaalsContact CD2-CD1 3.46Å; L555-F616 HydrophobicContact CD2-CE1 3.69Å; V612-F616 HydrophobicContact CG1-CD2 3.79Å; V612-F616 HydrophobicContact CG1-CE2 3.68Å; V612-F616 WeakPolarHBondContact O-CD2 3.26Å; V612-F616 PolarHBondContact O-N 2.92Å; V612-F616 VanDerWaalsContact O-N 3.15Å; M613-F616 PolarHBondContact O-N 3.26Å; F616-L619 PolarHBondContact O-N 2.58Å; F616-M620 WeakPolarHBondContact O-CB 3.4Å; F616-M620 PolarHBondContact O-N 3.13Å
617A92.3Very high86.1Confident1 Ų139.9 Ų39.91%0.00821%0.206CC..Hα-helixtrans-61.2-46.1174.300000111.8T503 L507 I521 M613 T614 V615 L619 M620 G621T503-A617 HydrophobicContact CG2-CB 3.52Å; L507-A617 HydrophobicContact CD1-CB 3.88Å; L507-A617 WeakPolarHBondContact CD2-O 3.38Å; I521-A617 HydrophobicContact CD1-CB 4.1Å; M613-A617 VanDerWaalsContact O-CB 3.25Å; M613-A617 WeakPolarHBondContact O-CB 3.43Å; M613-A617 PolarHBondContact O-N 3.14Å; M613-A617 HydrophobicContact SD-CB 4.35Å; T614-A617 PolarHBondContact O-N 2.96Å; V615-A617 VanDerWaalsContact C-N 3.35Å; V615-A617 PolarHBondContact O-N 2.84Å; A617-L619 VanDerWaalsContact C-N 3.33Å; A617-L619 PolarHBondContact O-N 3.23Å; A617-M620 WeakPolarHBondContact O-CB 3.39Å; A617-M620 PolarHBondContact O-N 3.26Å; A617-G621 PolarHBondContact O-N 2.75Å
618C91.8Very high85.5Confident28 Ų2840.8 Ų40.819%0.18921%0.21CC..Hα-helixtrans-64.8-37177.2-70.40000112.5A595 R596 V597 T614 V615 G621 K622A595-C618 HydrophobicContact CB-CB 4.24Å; R596-C618 PolarHBondContact O-SG 3.31Å; V597-C618 HydrophobicContact CG2-CB 4.02Å; T614-C618 WeakPolarHBondContact O-CB 2.91Å; T614-C618 PolarHBondContact O-N 2.78Å; T614-C618 PolarHBondContact O-SG 2.8Å; V615-C618 PolarHBondContact O-N 3.45Å; C618-G621 PolarHBondContact O-N 3.02Å; C618-K622 PolarHBondContact O-N 2.64Å; C618-K622 VanDerWaalsContact O-N 3.14Å
619L94.4Very high85Confident0 Ų040.9 Ų40.90%021%0.21CC..Hα-helixtrans-66.5-42.5174-72.1173.3000111.8V552 L555 I556 I559 A590 I593 A595 V615 F616 A617 G621 K622 G623V552-L619 HydrophobicContact CG1-CD1 4.01Å; L555-L619 HydrophobicContact CD2-CB 4.14Å; L555-L619 HydrophobicContact CD2-CD1 3.89Å; L555-L619 HydrophobicContact CG-CD1 4.48Å; I556-L619 HydrophobicContact CD1-CD2 4.49Å; I556-L619 HydrophobicContact CG1-CD1 4.19Å; I556-L619 HydrophobicContact CG1-CD2 3.7Å; I559-L619 HydrophobicContact CD1-CB 3.88Å; I559-L619 HydrophobicContact CD1-CD2 4.21Å; I559-L619 WeakPolarHBondContact CD1-O 3.44Å; A590-L619 HydrophobicContact CB-CD2 3.96Å; I593-L619 HydrophobicContact CD1-CD2 3.92Å; A595-L619 HydrophobicContact CB-CD2 4.02Å; V615-L619 HydrophobicContact CG1-CD1 4.06Å; V615-L619 WeakPolarHBondContact O-CG 3.13Å; V615-L619 PolarHBondContact O-N 2.63Å; F616-L619 PolarHBondContact O-N 2.58Å; A617-L619 VanDerWaalsContact C-N 3.33Å; A617-L619 PolarHBondContact O-N 3.23Å; L619-G621 PolarHBondContact O-N 3.28Å; L619-K622 WeakPolarHBondContact O-CB 3.44Å; L619-K622 PolarHBondContact O-N 3.03Å; L619-K622 VanDerWaalsContact O-N 3.09Å; L619-G623 PolarHBondContact O-N 3.02Å
620M92.5Very high84.6Confident5 Ų540.4 Ų40.43%0.02520%0.204CC..Hα-helixtrans-57.8-47.5172.7-178.4174.7-175.100111.7L507 I520 I521 W524 F616 A617 K622 G623 M624L507-M620 HydrophobicContact CD1-SD 4.37Å; L507-M620 HydrophobicContact CD2-CB 4.23Å; L507-M620 HydrophobicContact CD2-CG 4.15Å; I520-M620 HydrophobicContact CG2-CE 4.19Å; I521-M620 HydrophobicContact CB-SD 4.35Å; I521-M620 HydrophobicContact CG1-SD 3.95Å; I521-M620 HydrophobicContact CG2-SD 4.46Å; W524-M620 HydrophobicContact CB-CE 3.81Å; W524-M620 HydrophobicContact CB-SD 4.1Å; W524-M620 HydrophobicContact CD2-CB 4.06Å; W524-M620 HydrophobicContact CD2-CE 4.25Å; W524-M620 HydrophobicContact CD2-CG 3.58Å; W524-M620 HydrophobicContact CD2-SD 4.06Å; W524-M620 HydrophobicContact CE3-CB 3.57Å; W524-M620 HydrophobicContact CE3-CG 3.63Å; W524-M620 HydrophobicContact CE3-SD 4.16Å; W524-M620 HydrophobicContact CG-CE 3.7Å; W524-M620 HydrophobicContact CG-CG 4.06Å; W524-M620 HydrophobicContact CG-SD 4.01Å; W524-M620 VanDerWaalsContact CH2-CA 3.46Å; W524-M620 HydrophobicContact CH2-CB 4.1Å; W524-M620 HydrophobicContact CH2-CG 4.44Å; W524-M620 HydrophobicContact CZ2-CB 4.5Å; W524-M620 HydrophobicContact CZ2-CG 4.36Å; W524-M620 VanDerWaalsContact CZ3-CA 3.41Å; W524-M620 HydrophobicContact CZ3-CB 3.6Å; W524-M620 HydrophobicContact CZ3-CG 4.08Å; F616-M620 WeakPolarHBondContact O-CB 3.4Å; F616-M620 PolarHBondContact O-N 3.13Å; A617-M620 WeakPolarHBondContact O-CB 3.39Å; A617-M620 PolarHBondContact O-N 3.26Å; M620-K622 PolarHBondContact O-N 2.74Å; M620-G623 PolarHBondContact O-N 3.28Å; M620-G623 VanDerWaalsContact O-N 3.1Å; M620-M624 HydrophobicContact CE-CE 4.14Å; M620-M624 HydrophobicContact CE-SD 3.37Å; M620-M624 WeakPolarHBondContact CE-SD 3.17Å; M620-M624 HydrophobicContact CG-CG 4.1Å; M620-M624 HydrophobicContact CG-SD 3.73Å; M620-M624 WeakPolarHBondContact O-CG 3.48Å; M620-M624 PolarHBondContact O-N 3.11Å; M620-M624 HydrophobicContact SD-SD 4.36Å
621G88.6Confident84.2Confident7 Ų738.9 Ų38.97%0.07220%0.199CC..Hα-helixtrans-60.1-29.5176.300000113I510 A617 C618 L619 K625I510-G621 WeakPolarHBondContact CD1-O 3.49Å; A617-G621 PolarHBondContact O-N 2.75Å; C618-G621 PolarHBondContact O-N 3.02Å; L619-G621 PolarHBondContact O-N 3.28Å; G621-K625 WeakPolarHBondContact O-CG 3.38Å
622K89Confident83.7Confident58 Ų5841.3 Ų41.325%0.25221%0.211SC..Hα-helixtrans-78.3-42.2172.6177.762.2-161.7-157.50112.5I559 I593 C618 L619 M620I559-K622 HydrophobicContact CG2-CG 4.36Å; I593-K622 HydrophobicContact CD1-CG 4.1Å; I593-K622 HydrophobicContact CG1-CG 4.41Å; I593-K622 VanDerWaalsContact O-CD 3.26Å; I593-K622 WeakPolarHBondContact O-CD 3.43Å; I593-K622 WeakPolarHBondContact O-CE 3.25Å; I593-K622 PolarHBondContact O-NZ 3.48Å; C618-K622 PolarHBondContact O-N 2.64Å; C618-K622 VanDerWaalsContact O-N 3.14Å; L619-K622 WeakPolarHBondContact O-CB 3.44Å; L619-K622 PolarHBondContact O-N 3.03Å; L619-K622 VanDerWaalsContact O-N 3.09Å; M620-K622 PolarHBondContact O-N 2.74Å
623G86.6Confident83Confident15 Ų1544 Ų4416%0.15523%0.225CC..Hα-helixtrans-65.7-42-178.800000113.1L619 M620 K625 R626L619-G623 PolarHBondContact O-N 3.02Å; M620-G623 PolarHBondContact O-N 3.28Å; M620-G623 VanDerWaalsContact O-N 3.1Å; G623-K625 VanDerWaalsContact C-N 3.33Å; G623-K625 PolarHBondContact O-N 3.33Å; G623-R626 PolarHBondContact O-N 3.38Å
624M82.6Confident82.3Confident60 Ų6046.9 Ų46.930%0.29624%0.24SC..Hα-helixtrans-72.6-21.8-177.9-65.5-176.890.700114I510 M620 R626 V627I510-M624 HydrophobicContact CG2-CB 3.53Å; M620-M624 HydrophobicContact CE-CE 4.14Å; M620-M624 HydrophobicContact CE-SD 3.37Å; M620-M624 WeakPolarHBondContact CE-SD 3.17Å; M620-M624 HydrophobicContact CG-CG 4.1Å; M620-M624 HydrophobicContact CG-SD 3.73Å; M620-M624 WeakPolarHBondContact O-CG 3.48Å; M620-M624 PolarHBondContact O-N 3.11Å; M620-M624 HydrophobicContact SD-SD 4.36Å; M624-R626 PolarHBondContact O-N 3.11Å; M624-R626 VanDerWaalsContact O-N 3.15Å; M624-V627 PolarHBondContact O-N 3.25Å
625K66.9Low81.5Confident146 Ų14650.2 Ų50.264%0.63526%0.257SS*.THydrogen-bonded Turntrans-69-3.9174.9-78-178.7-180-173.10114.2I510 G621 G623I510-K625 HydrophobicContact CD1-CD 4.45Å; I510-K625 HydrophobicContact CD1-CG 4.22Å; I510-K625 HydrophobicContact CG1-CG 4.37Å; I510-K625 HydrophobicContact CG2-CG 4.27Å; G621-K625 WeakPolarHBondContact O-CG 3.38Å; G623-K625 VanDerWaalsContact C-N 3.33Å; G623-K625 PolarHBondContact O-N 3.33Å
626R50.6Low80.4Confident137 Ų13754.4 Ų54.452%0.51728%0.278SS..THydrogen-bonded Turntrans-87.32.1178.6-80.4-173.7162-157.7-6.9114.2I559 G623 M624I559-R626 VanDerWaalsContact O-CZ 3.23Å; I559-R626 PolarHBondContact O-NH1 3.48Å; G623-R626 PolarHBondContact O-N 3.38Å; M624-R626 PolarHBondContact O-N 3.11Å; M624-R626 VanDerWaalsContact O-N 3.15Å
627V34Very low79Confident196 Ų19659.4 Ų59.4100%1.18830%0.303SS*.  trans-94.80175.5-172.70000111.3M624M624-V627 PolarHBondContact O-N 3.25Å

Retrieved 627 of 627 residues in 188.6 ms (Link to these results)

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