A0A060Y3W9_ONCMY Loading...

D(1A) dopamine receptor

AlphaFold DB , UniProt , Accession A0A060Y3W9, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110533343, Length 443 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
1M46.1Very low60.1Low234 Ų234120.9 Ų120.9100%1.15363%0.63SS**  076.90-82.2176.5-179.400106.2L3M1-L3 PolarHBondContact O-N 3.33Å
2D49.4Very low60.9Low158 Ų158117.9 Ų117.985%0.84562%0.615SS**  trans-91.989.9176-60.2-45.3000106.6N4D2-N4 PolarHBondContact O-N 3.29Å; D2-N4 VanDerWaalsContact O-N 3.08Å
3L55.3Low61.5Low157 Ų157115.3 Ų115.382%0.82260%0.603SS**  trans-58.8112.6164.4-93.4148000106.5M1 F5M1-L3 PolarHBondContact O-N 3.33Å; L3-F5 PolarHBondContact O-N 3.01Å
4N53.8Low62.3Low104 Ų104112.8 Ų112.856%0.55659%0.59SS**  trans-45.6107.9-176.1-98-26.2000111.2D2 S6 T7 V8D2-N4 PolarHBondContact O-N 3.29Å; D2-N4 VanDerWaalsContact O-N 3.08Å; N4-S6 PolarHBondContact O-N 3.15Å; N4-S6 VanDerWaalsContact O-N 3.14Å; N4-T7 WeakPolarHBondContact CB-OG1 3.48Å; N4-T7 WeakPolarHBondContact O-CB 3.37Å; N4-T7 PolarHBondContact O-N 3.15Å; N4-V8 PolarHBondContact O-N 3.06Å
5F59Low63.1Low152 Ų152112.9 Ų112.967%0.66759%0.59SS**Hα-helixtrans-55-29.9175.2-178.3-99.3000112.3L3 R9L3-F5 PolarHBondContact O-N 3.01Å; F5-R9 VanDerWaalsContact O-CB 3.3Å; F5-R9 WeakPolarHBondContact O-CB 3.45Å; F5-R9 PolarHBondContact O-N 3.45Å
6S63.8Low63.8Low67 Ų67114.2 Ų114.247%0.46959%0.592SS.*Hα-helixtrans-63-43.1171.334.50000113N4 R9 D10N4-S6 PolarHBondContact O-N 3.15Å; N4-S6 VanDerWaalsContact O-N 3.14Å; S6-R9 PolarHBondContact O-N 3.19Å; S6-D10 WeakPolarHBondContact O-CB 3.44Å; S6-D10 PolarHBondContact O-N 3.31Å
7T65.6Low64.4Low79 Ų79115.8 Ų115.849%0.48559%0.589SS.*Hα-helixtrans-70.3-35.8-179.8-41.50000112N4 S11N4-T7 WeakPolarHBondContact CB-OG1 3.48Å; N4-T7 WeakPolarHBondContact O-CB 3.37Å; N4-T7 PolarHBondContact O-N 3.15Å; T7-S11 WeakPolarHBondContact O-CB 3.08Å; T7-S11 PolarHBondContact O-N 3.44Å; T7-S11 PolarHBondContact O-OG 3Å
8V67.9Low65.2Low71 Ų71112.9 Ų112.943%0.4358%0.575SS.*Hα-helixtrans-66.7-46.9173.5178.80000110.2N4 D10 S11 D12N4-V8 PolarHBondContact O-N 3.06Å; V8-D10 PolarHBondContact O-N 3.22Å; V8-S11 WeakPolarHBondContact O-CB 3.49Å; V8-S11 PolarHBondContact O-N 2.89Å; V8-S11 VanDerWaalsContact O-N 3.14Å; V8-D12 PolarHBondContact O-N 2.98Å
9R64.2Low66.1Low150 Ų150110.6 Ų110.657%0.56657%0.57SS**Hα-helixtrans-64-37.9179-155.8177.8-152.2168.86.8112.9F5 S6 S11 N13F5-R9 VanDerWaalsContact O-CB 3.3Å; F5-R9 WeakPolarHBondContact O-CB 3.45Å; F5-R9 PolarHBondContact O-N 3.45Å; S6-R9 PolarHBondContact O-N 3.19Å; R9-S11 VanDerWaalsContact C-N 3.35Å; R9-N13 VanDerWaalsContact O-CB 3.29Å; R9-N13 WeakPolarHBondContact O-CB 3.39Å; R9-N13 PolarHBondContact O-N 2.99Å; R9-N13 PolarHBondContact O-ND2 2.98Å
10D67.9Low67.1Low101 Ų101109 Ų10954%0.5457%0.569SS.*Hα-helixtrans-67.9-35.6174.4-77.1-23000112.1S6 V8 L14S6-D10 WeakPolarHBondContact O-CB 3.44Å; S6-D10 PolarHBondContact O-N 3.31Å; V8-D10 PolarHBondContact O-N 3.22Å; D10-L14 VanDerWaalsContact O-CB 3.3Å; D10-L14 WeakPolarHBondContact O-CB 3.31Å; D10-L14 WeakPolarHBondContact O-CD1 3.4Å; D10-L14 WeakPolarHBondContact O-CG 3.32Å; D10-L14 PolarHBondContact O-N 3.33Å
11S68.3Low68Low57 Ų57108.6 Ų108.640%0.39956%0.563SS.*Hα-helixtrans-68.4-43.5175.1-57.40000111.6T7 V8 R9 L14 L15T7-S11 WeakPolarHBondContact O-CB 3.08Å; T7-S11 PolarHBondContact O-N 3.44Å; T7-S11 PolarHBondContact O-OG 3Å; V8-S11 WeakPolarHBondContact O-CB 3.49Å; V8-S11 PolarHBondContact O-N 2.89Å; V8-S11 VanDerWaalsContact O-N 3.14Å; R9-S11 VanDerWaalsContact C-N 3.35Å; S11-L14 WeakPolarHBondContact O-CB 3.33Å; S11-L14 PolarHBondContact O-N 3.28Å; S11-L15 WeakPolarHBondContact O-CB 3.23Å; S11-L15 VanDerWaalsContact O-CG 3.3Å; S11-L15 WeakPolarHBondContact O-CG 3.38Å; S11-L15 PolarHBondContact O-N 3.39Å
12D69.2Low70Confident85 Ų85103.3 Ų103.346%0.45553%0.53SS..Hα-helixtrans-63.6-44.5175.6-68.3-23.7000111.1V8 L14 L15 E16V8-D12 PolarHBondContact O-N 2.98Å; D12-L14 VanDerWaalsContact C-N 3.32Å; D12-L14 PolarHBondContact O-N 3.16Å; D12-L15 PolarHBondContact O-N 3.1Å; D12-E16 WeakPolarHBondContact O-CB 3.29Å; D12-E16 WeakPolarHBondContact O-CG 3.5Å; D12-E16 PolarHBondContact O-N 3.24Å
13N69.4Low71.9Confident84 Ų84100.5 Ų100.545%0.44952%0.519SS..Hα-helixtrans-62.9-36.1175.1-73.3-33.1000112.4R9 R17R9-N13 VanDerWaalsContact O-CB 3.29Å; R9-N13 WeakPolarHBondContact O-CB 3.39Å; R9-N13 PolarHBondContact O-N 2.99Å; R9-N13 PolarHBondContact O-ND2 2.98Å; N13-R17 WeakPolarHBondContact O-CB 3.41Å; N13-R17 PolarHBondContact O-N 3.36Å
14L72.4Confident73.6Confident80 Ų8099.1 Ų99.142%0.41951%0.511SS..Hα-helixtrans-66.8-45.7174.9-92158.1000111.5D10 S11 D12 R17 D18D10-L14 VanDerWaalsContact O-CB 3.3Å; D10-L14 WeakPolarHBondContact O-CB 3.31Å; D10-L14 WeakPolarHBondContact O-CD1 3.4Å; D10-L14 WeakPolarHBondContact O-CG 3.32Å; D10-L14 PolarHBondContact O-N 3.33Å; S11-L14 WeakPolarHBondContact O-CB 3.33Å; S11-L14 PolarHBondContact O-N 3.28Å; D12-L14 VanDerWaalsContact C-N 3.32Å; D12-L14 PolarHBondContact O-N 3.16Å; L14-R17 VanDerWaalsContact CD2-NH2 3.31Å; L14-R17 PolarHBondContact O-N 3Å; L14-D18 WeakPolarHBondContact O-CB 3.11Å; L14-D18 PolarHBondContact O-N 3.11Å
15L73.9Confident75.3Confident115 Ų11595.8 Ų95.860%0.60250%0.495SS*.Hα-helixtrans-65.2-41.7177.7-71.8170000112.2S11 D12 S19S11-L15 WeakPolarHBondContact O-CB 3.23Å; S11-L15 VanDerWaalsContact O-CG 3.3Å; S11-L15 WeakPolarHBondContact O-CG 3.38Å; S11-L15 PolarHBondContact O-N 3.39Å; D12-L15 PolarHBondContact O-N 3.1Å; L15-S19 VanDerWaalsContact O-CB 3.28Å; L15-S19 WeakPolarHBondContact O-CB 3.48Å; L15-S19 PolarHBondContact O-N 3.13Å; L15-S19 PolarHBondContact O-OG 2.95Å
16E74.4Confident76.8Confident133 Ų13389.3 Ų89.362%0.62147%0.471SS*.Hα-helixtrans-65.9-41.2174.5-77.8-163.4154.800112D12 S19 S20D12-E16 WeakPolarHBondContact O-CB 3.29Å; D12-E16 WeakPolarHBondContact O-CG 3.5Å; D12-E16 PolarHBondContact O-N 3.24Å; E16-S19 PolarHBondContact O-N 3.31Å; E16-S20 WeakPolarHBondContact O-CB 3.26Å; E16-S20 PolarHBondContact O-N 3.48Å; E16-S20 PolarHBondContact O-OG 3.33Å
17R73.4Confident78.2Confident141 Ų14189.8 Ų89.853%0.53247%0.473SS..Hα-helixtrans-64.6-42.4177.3-176.8174.371.2167.6-0.4111.5N13 L14 S20 K21N13-R17 WeakPolarHBondContact O-CB 3.41Å; N13-R17 PolarHBondContact O-N 3.36Å; L14-R17 VanDerWaalsContact CD2-NH2 3.31Å; L14-R17 PolarHBondContact O-N 3Å; R17-S20 PolarHBondContact O-N 3.43Å; R17-K21 VanDerWaalsContact O-CG 3.25Å; R17-K21 WeakPolarHBondContact O-CG 3.45Å; R17-K21 PolarHBondContact O-N 3.43Å
18D78.9Confident79.5Confident65 Ų6591 Ų9135%0.34847%0.472SS..Hα-helixtrans-73.5-33.3179.3-72.3-13.9000112L14 K21 R22L14-D18 WeakPolarHBondContact O-CB 3.11Å; L14-D18 PolarHBondContact O-N 3.11Å; D18-K21 IonicContact OD1-NZ 3.69Å; D18-K21 PolarHBondContact OD1-NZ 2.73Å; D18-R22 VanDerWaalsContact O-CG 3.28Å; D18-R22 WeakPolarHBondContact O-CG 3.49Å; D18-R22 PolarHBondContact O-N 2.85Å
19S82.6Confident80.7Confident68 Ų6887.8 Ų87.848%0.47645%0.452SS..Hα-helixtrans-64.4-45.6170.6-60.10000111.9L15 E16 K21 R22 V23L15-S19 VanDerWaalsContact O-CB 3.28Å; L15-S19 WeakPolarHBondContact O-CB 3.48Å; L15-S19 PolarHBondContact O-N 3.13Å; L15-S19 PolarHBondContact O-OG 2.95Å; E16-S19 PolarHBondContact O-N 3.31Å; S19-K21 PolarHBondContact O-N 3.08Å; S19-R22 PolarHBondContact O-N 3.47Å; S19-V23 WeakPolarHBondContact O-CG2 3.42Å; S19-V23 PolarHBondContact O-N 3Å
20S86.6Confident82.1Confident79 Ų7987.1 Ų87.155%0.55245%0.454SS*.Hα-helixtrans-62.3-41.5178.2-60.90000112.1E16 R17 V23 L24E16-S20 WeakPolarHBondContact O-CB 3.26Å; E16-S20 PolarHBondContact O-N 3.48Å; E16-S20 PolarHBondContact O-OG 3.33Å; R17-S20 PolarHBondContact O-N 3.43Å; S20-V23 PolarHBondContact O-N 3Å; S20-L24 WeakPolarHBondContact O-CB 3.38Å; S20-L24 PolarHBondContact O-N 2.86Å
21K86.1Confident83.4Confident101 Ų10184.6 Ų84.644%0.43945%0.447SS..Hα-helixtrans-61.1-47.3173.6-73.1169.6-171.4160.70111.6R17 D18 S19 V23 L24 T25R17-K21 VanDerWaalsContact O-CG 3.25Å; R17-K21 WeakPolarHBondContact O-CG 3.45Å; R17-K21 PolarHBondContact O-N 3.43Å; D18-K21 IonicContact OD1-NZ 3.69Å; D18-K21 PolarHBondContact OD1-NZ 2.73Å; S19-K21 PolarHBondContact O-N 3.08Å; K21-V23 VanDerWaalsContact C-N 3.35Å; K21-V23 PolarHBondContact O-N 2.78Å; K21-L24 PolarHBondContact O-N 3.43Å; K21-T25 WeakPolarHBondContact O-CB 3.42Å; K21-T25 PolarHBondContact O-N 3.24Å; K21-T25 PolarHBondContact O-OG1 3.05Å; K21-T25 VanDerWaalsContact O-OG1 3.05Å
22R87.4Confident84.7Confident123 Ų12382.3 Ų82.346%0.46443%0.43SS..Hα-helixtrans-61-42.5179.3-73.8173.4-176.5-166.81.8112.1D18 S19 G26D18-R22 VanDerWaalsContact O-CG 3.28Å; D18-R22 WeakPolarHBondContact O-CG 3.49Å; D18-R22 PolarHBondContact O-N 2.85Å; S19-R22 PolarHBondContact O-N 3.47Å; R22-G26 PolarHBondContact O-N 3.25Å
23V89.2Confident85.9Confident99 Ų9979.4 Ų79.460%0.641%0.414SS*.Hα-helixtrans-63.1-46.6175.6173.20000110.9S19 S20 K21 G26 C27S19-V23 WeakPolarHBondContact O-CG2 3.42Å; S19-V23 PolarHBondContact O-N 3Å; S20-V23 PolarHBondContact O-N 3Å; K21-V23 VanDerWaalsContact C-N 3.35Å; K21-V23 PolarHBondContact O-N 2.78Å; V23-G26 PolarHBondContact O-N 2.94Å; V23-C27 WeakPolarHBondContact O-CB 3.21Å; V23-C27 PolarHBondContact O-N 3.28Å; V23-C27 PolarHBondContact O-SG 3.05Å; V23-C27 VanDerWaalsContact O-SG 3.34Å
24L90.9Very high87.2Confident128 Ų12879.1 Ų79.167%0.6741%0.412SS*.Hα-helixtrans-61.7-46178.6-176.563.8000111.9S20 K21 C27 F28S20-L24 WeakPolarHBondContact O-CB 3.38Å; S20-L24 PolarHBondContact O-N 2.86Å; K21-L24 PolarHBondContact O-N 3.43Å; L24-C27 PolarHBondContact O-N 3.4Å; L24-F28 WeakPolarHBondContact O-CB 3.31Å; L24-F28 PolarHBondContact O-N 3.25Å
25T89.4Confident88.3Confident33 Ų3378.7 Ų78.720%0.20241%0.413CS..Hα-helixtrans-59.7-47.1175.2-63.80000111.2K21 C27 F28 L29 E84 W312K21-T25 WeakPolarHBondContact O-CB 3.42Å; K21-T25 PolarHBondContact O-N 3.24Å; K21-T25 PolarHBondContact O-OG1 3.05Å; K21-T25 VanDerWaalsContact O-OG1 3.05Å; T25-C27 PolarHBondContact O-N 3.49Å; T25-F28 PolarHBondContact O-N 3.08Å; T25-L29 HydrophobicContact CG2-CD1 3.84Å; T25-L29 HydrophobicContact CG2-CG 4.26Å; T25-L29 WeakPolarHBondContact O-CB 3.19Å; T25-L29 WeakPolarHBondContact O-CG 3.34Å; T25-L29 PolarHBondContact O-N 2.91Å; T25-E84 HydrophobicContact CG2-CB 4.48Å; T25-W312 HydrophobicContact CG2-CH2 3.37Å; T25-W312 HydrophobicContact CG2-CZ2 3.73Å; T25-W312 HydrophobicContact CG2-CZ3 4.09Å
26G91.3Very high89.3Confident16 Ų1673.2 Ų73.217%0.16539%0.385CS..Hα-helixtrans-59.4-45.5177.400000112.7R22 V23 L29 F30R22-G26 PolarHBondContact O-N 3.25Å; V23-G26 PolarHBondContact O-N 2.94Å; G26-L29 PolarHBondContact O-N 3.13Å; G26-F30 VanDerWaalsContact O-CB 3.25Å; G26-F30 WeakPolarHBondContact O-CB 3.3Å; G26-F30 PolarHBondContact O-N 3.04Å
27C92.8Very high90.4Very high77 Ų7769.3 Ų69.352%0.5237%0.367SS..Hα-helixtrans-61.2-44.2175.3-73.90000112.3V23 L24 T25 A31V23-C27 WeakPolarHBondContact O-CB 3.21Å; V23-C27 PolarHBondContact O-N 3.28Å; V23-C27 PolarHBondContact O-SG 3.05Å; V23-C27 VanDerWaalsContact O-SG 3.34Å; L24-C27 PolarHBondContact O-N 3.4Å; T25-C27 PolarHBondContact O-N 3.49Å; C27-A31 WeakPolarHBondContact O-CB 3.27Å; C27-A31 PolarHBondContact O-N 3.47Å
28F93.2Very high91.5Very high104 Ų10467.9 Ų67.946%0.45637%0.37SS..Hα-helixtrans-62.7-49.9178172.2-101.5000111.8L24 T25 F30 A31 L32 W312L24-F28 WeakPolarHBondContact O-CB 3.31Å; L24-F28 PolarHBondContact O-N 3.25Å; T25-F28 PolarHBondContact O-N 3.08Å; F28-F30 VanDerWaalsContact C-N 3.35Å; F28-F30 PolarHBondContact O-N 3.47Å; F28-A31 PolarHBondContact O-N 3.06Å; F28-L32 HydrophobicContact CE1-CD1 4.02Å; F28-L32 HydrophobicContact CZ-CD1 4Å; F28-L32 WeakPolarHBondContact O-CB 3.41Å; F28-L32 PolarHBondContact O-N 2.76Å; F28-W312 HydrophobicContact CD1-CE3 4.23Å; F28-W312 HydrophobicContact CE1-CB 4.21Å; F28-W312 HydrophobicContact CE1-CE3 4.05Å
29L92.9Very high92.3Very high4 Ų465.4 Ų65.42%0.02136%0.36CS..Hα-helixtrans-63.8-40.2179.2-68.8178.1000111.7T25 G26 A31 L32 I33 A81 E84 W312 W315T25-L29 HydrophobicContact CG2-CD1 3.84Å; T25-L29 HydrophobicContact CG2-CG 4.26Å; T25-L29 WeakPolarHBondContact O-CB 3.19Å; T25-L29 WeakPolarHBondContact O-CG 3.34Å; T25-L29 PolarHBondContact O-N 2.91Å; G26-L29 PolarHBondContact O-N 3.13Å; L29-A31 PolarHBondContact O-N 3.12Å; L29-L32 PolarHBondContact O-N 2.76Å; L29-I33 VanDerWaalsContact O-CG1 3.27Å; L29-I33 WeakPolarHBondContact O-CG1 3.39Å; L29-I33 PolarHBondContact O-N 3.46Å; L29-A81 HydrophobicContact CB-CB 4.07Å; L29-A81 HydrophobicContact CD1-CB 3.78Å; L29-E84 HydrophobicContact CD1-CB 4.3Å; L29-E84 HydrophobicContact CD1-CG 4.25Å; L29-W312 HydrophobicContact CD1-CZ2 4.38Å; L29-W312 HydrophobicContact CD2-CD2 3.91Å; L29-W312 HydrophobicContact CD2-CG 3.84Å; L29-W315 HydrophobicContact CD2-CE3 4.49Å; L29-W315 HydrophobicContact CD2-CZ3 4.19Å
30F94.6Very high93Very high137 Ų13762.2 Ų62.260%0.60134%0.337SS*.Hα-helixtrans-61.4-44.6174.5-179.6-100.6000112G26 F28 L32 I33 L34G26-F30 VanDerWaalsContact O-CB 3.25Å; G26-F30 WeakPolarHBondContact O-CB 3.3Å; G26-F30 PolarHBondContact O-N 3.04Å; F28-F30 VanDerWaalsContact C-N 3.35Å; F28-F30 PolarHBondContact O-N 3.47Å; F30-L32 VanDerWaalsContact C-N 3.32Å; F30-L32 PolarHBondContact O-N 3.48Å; F30-I33 PolarHBondContact O-N 3.2Å; F30-L34 HydrophobicContact CE1-CD2 4.46Å; F30-L34 WeakPolarHBondContact O-CB 3.32Å; F30-L34 PolarHBondContact O-N 3.27Å
31A94.9Very high93.5Very high47 Ų4761.6 Ų61.639%0.38833%0.331SS..Hα-helixtrans-62.5-40175.600000111.8C27 F28 L29 L34 T35C27-A31 WeakPolarHBondContact O-CB 3.27Å; C27-A31 PolarHBondContact O-N 3.47Å; F28-A31 PolarHBondContact O-N 3.06Å; L29-A31 PolarHBondContact O-N 3.12Å; A31-L34 PolarHBondContact O-N 2.93Å; A31-T35 WeakPolarHBondContact O-CB 3.32Å; A31-T35 VanDerWaalsContact O-CG2 3.27Å; A31-T35 WeakPolarHBondContact O-CG2 3.45Å; A31-T35 PolarHBondContact O-N 3.36Å; A31-T35 PolarHBondContact O-OG1 3.07Å
32L94.3Very high93.9Very high10 Ų1058.5 Ų58.55%0.05232%0.318CS..Hα-helixtrans-62.7-45.6176.5-162.3159.7000111.2F28 L29 F30 T35 T36 M77 W315 A316F28-L32 HydrophobicContact CE1-CD1 4.02Å; F28-L32 HydrophobicContact CZ-CD1 4Å; F28-L32 WeakPolarHBondContact O-CB 3.41Å; F28-L32 PolarHBondContact O-N 2.76Å; L29-L32 PolarHBondContact O-N 2.76Å; F30-L32 VanDerWaalsContact C-N 3.32Å; F30-L32 PolarHBondContact O-N 3.48Å; L32-T35 PolarHBondContact O-OG1 2.98Å; L32-T36 WeakPolarHBondContact O-CB 3.49Å; L32-T36 PolarHBondContact O-N 3.38Å; L32-T36 PolarHBondContact O-OG1 2.67Å; L32-M77 HydrophobicContact CD2-CE 3.63Å; L32-M77 HydrophobicContact CD2-SD 3.46Å; L32-M77 WeakPolarHBondContact CD2-SD 3.48Å; L32-W315 HydrophobicContact CD2-CB 4.03Å; L32-A316 HydrophobicContact CD1-CB 4.32Å
33I96.1Very high94.3Very high24 Ų2452.6 Ų52.612%0.12330%0.296CS..Hα-helixtrans-60.4-50.8175.6-68.3164.6000110.5L29 F30 T35 T36 L37 M77 P78 A81L29-I33 VanDerWaalsContact O-CG1 3.27Å; L29-I33 WeakPolarHBondContact O-CG1 3.39Å; L29-I33 PolarHBondContact O-N 3.46Å; F30-I33 PolarHBondContact O-N 3.2Å; I33-T35 PolarHBondContact O-N 3.39Å; I33-T36 PolarHBondContact O-N 3.15Å; I33-L37 HydrophobicContact CG2-CD1 3.81Å; I33-L37 HydrophobicContact CG2-CG 4.33Å; I33-L37 WeakPolarHBondContact O-CB 3.46Å; I33-L37 WeakPolarHBondContact O-CG 3.48Å; I33-L37 PolarHBondContact O-N 2.98Å; I33-M77 HydrophobicContact CD1-CB 3.86Å; I33-M77 HydrophobicContact CG1-CB 3.53Å; I33-M77 HydrophobicContact CG1-CG 4.32Å; I33-M77 HydrophobicContact CG1-SD 3.82Å; I33-P78 HydrophobicContact CD1-CG 4.42Å; I33-A81 HydrophobicContact CD1-CB 4.42Å
34L96.3Very high94.7Very high77 Ų7749 Ų4940%0.40328%0.275SS..Hα-helixtrans-62-46.2-176.4-175.468.2000111.8F30 A31 T36 L37 L38F30-L34 HydrophobicContact CE1-CD2 4.46Å; F30-L34 WeakPolarHBondContact O-CB 3.32Å; F30-L34 PolarHBondContact O-N 3.27Å; A31-L34 PolarHBondContact O-N 2.93Å; L34-T36 VanDerWaalsContact C-N 3.34Å; L34-T36 PolarHBondContact O-N 3.24Å; L34-L37 PolarHBondContact O-N 3.02Å; L34-L38 HydrophobicContact CD1-CD1 3.92Å; L34-L38 HydrophobicContact CD1-CG 4.15Å; L34-L38 HydrophobicContact CD2-CD1 4.43Å; L34-L38 HydrophobicContact CG-CD1 3.82Å; L34-L38 HydrophobicContact CG-CG 4.35Å; L34-L38 WeakPolarHBondContact O-CB 3.24Å; L34-L38 VanDerWaalsContact O-CG 3.29Å; L34-L38 WeakPolarHBondContact O-CG 3.44Å; L34-L38 PolarHBondContact O-N 2.95Å
35T94.9Very high94.9Very high72 Ų7245.6 Ų45.644%0.44226%0.26SS..Hα-helixtrans-64.4-39.6178.151.70000111.7A31 L32 I33 G39A31-T35 WeakPolarHBondContact O-CB 3.32Å; A31-T35 VanDerWaalsContact O-CG2 3.27Å; A31-T35 WeakPolarHBondContact O-CG2 3.45Å; A31-T35 PolarHBondContact O-N 3.36Å; A31-T35 PolarHBondContact O-OG1 3.07Å; L32-T35 PolarHBondContact O-OG1 2.98Å; I33-T35 PolarHBondContact O-N 3.39Å; T35-G39 WeakPolarHBondContact O-CA 3.19Å; T35-G39 PolarHBondContact O-N 3.29Å
36T95.8Very high95.1Very high0 Ų044 Ų440%025%0.25CC..Hα-helixtrans-63.9-46175.7-54.50000111.6L32 I33 L34 N40 A73 M77 S319L32-T36 WeakPolarHBondContact O-CB 3.49Å; L32-T36 PolarHBondContact O-N 3.38Å; L32-T36 PolarHBondContact O-OG1 2.67Å; I33-T36 PolarHBondContact O-N 3.15Å; L34-T36 VanDerWaalsContact C-N 3.34Å; L34-T36 PolarHBondContact O-N 3.24Å; T36-N40 WeakPolarHBondContact O-CB 3.5Å; T36-N40 PolarHBondContact O-N 3.46Å; T36-N40 PolarHBondContact O-ND2 3.32Å; T36-A73 HydrophobicContact CG2-CB 3.76Å; T36-M77 HydrophobicContact CG2-CE 4.23Å; T36-S319 VanDerWaalsContact OG1-CB 3.32Å; T36-S319 WeakPolarHBondContact OG1-CB 3.35Å
37L97.3Very high95.3Very high50 Ų5043.4 Ų43.426%0.26224%0.243SC..Hα-helixtrans-62.9-54.2178.1-73.5173.9000111.9I33 L34 T41 L70 A73 I74I33-L37 HydrophobicContact CG2-CD1 3.81Å; I33-L37 HydrophobicContact CG2-CG 4.33Å; I33-L37 WeakPolarHBondContact O-CB 3.46Å; I33-L37 WeakPolarHBondContact O-CG 3.48Å; I33-L37 PolarHBondContact O-N 2.98Å; L34-L37 PolarHBondContact O-N 3.02Å; L37-T41 WeakPolarHBondContact O-CB 3.45Å; L37-T41 PolarHBondContact O-N 3.13Å; L37-T41 PolarHBondContact O-OG1 2.94Å; L37-L70 HydrophobicContact CD2-CD2 4.02Å; L37-A73 HydrophobicContact CD2-CB 3.76Å; L37-A73 HydrophobicContact CG-CB 3.91Å; L37-I74 HydrophobicContact CD2-CD1 4.19Å; L37-I74 HydrophobicContact CD2-CG1 3.67Å
38L96.2Very high95.3Very high112 Ų11244 Ų4459%0.58624%0.244SC*.Hα-helixtrans-64.4-45.4-177-68.4177.3000111.2L34 L42L34-L38 HydrophobicContact CD1-CD1 3.92Å; L34-L38 HydrophobicContact CD1-CG 4.15Å; L34-L38 HydrophobicContact CD2-CD1 4.43Å; L34-L38 HydrophobicContact CG-CD1 3.82Å; L34-L38 HydrophobicContact CG-CG 4.35Å; L34-L38 WeakPolarHBondContact O-CB 3.24Å; L34-L38 VanDerWaalsContact O-CG 3.29Å; L34-L38 WeakPolarHBondContact O-CG 3.44Å; L34-L38 PolarHBondContact O-N 2.95Å; L38-L42 VanDerWaalsContact O-CB 3.27Å; L38-L42 WeakPolarHBondContact O-CB 3.34Å; L38-L42 PolarHBondContact O-N 2.68Å
39G95.6Very high95.3Very high13 Ų1345.8 Ų45.813%0.13425%0.252CS..Hα-helixtrans-64.3-49.8-17800000112.5T35 L42 V43T35-G39 WeakPolarHBondContact O-CA 3.19Å; T35-G39 PolarHBondContact O-N 3.29Å; G39-L42 WeakPolarHBondContact O-CB 3.4Å; G39-L42 PolarHBondContact O-N 2.9Å; G39-V43 WeakPolarHBondContact O-CG2 3.27Å; G39-V43 PolarHBondContact O-N 3.3Å
40N96.8Very high95.3Very high0 Ų047.2 Ų47.20%026%0.258CS..Hα-helixtrans-73.9-30.7-178.6-71.1-66.9000112.5T36 L42 V43 C44 A66 L70 S318T36-N40 WeakPolarHBondContact O-CB 3.5Å; T36-N40 PolarHBondContact O-N 3.46Å; T36-N40 PolarHBondContact O-ND2 3.32Å; N40-L42 VanDerWaalsContact C-N 3.34Å; N40-V43 PolarHBondContact O-N 2.9Å; N40-C44 PolarHBondContact O-N 2.99Å; N40-C44 PolarHBondContact O-SG 3.15Å; N40-A66 HydrophobicContact CB-CB 4.16Å; N40-L70 HydrophobicContact CB-CD1 4.43Å; N40-L70 HydrophobicContact CB-CD2 3.86Å; N40-L70 HydrophobicContact CB-CG 3.75Å; N40-S318 PolarHBondContact ND2-O 2.57Å
41T96.8Very high95.1Very high67 Ų6750.3 Ų50.341%0.41127%0.265SS..Hα-helixtrans-62.3-43.8168.9-58.90000110.8L37 V43 C44 V45L37-T41 WeakPolarHBondContact O-CB 3.45Å; L37-T41 PolarHBondContact O-N 3.13Å; L37-T41 PolarHBondContact O-OG1 2.94Å; T41-V43 VanDerWaalsContact C-N 3.32Å; T41-V43 PolarHBondContact O-N 3.21Å; T41-C44 PolarHBondContact O-N 3.05Å; T41-V45 HydrophobicContact CG2-CG2 4.27Å; T41-V45 WeakPolarHBondContact O-CB 3.25Å; T41-V45 VanDerWaalsContact O-CG2 3.32Å; T41-V45 WeakPolarHBondContact O-CG2 3.43Å; T41-V45 PolarHBondContact O-N 3.29Å
42L95.8Very high94.8Very high35 Ų3552 Ų5218%0.18327%0.265CS..Hα-helixtrans-61-40.3176.7-176.268.7000111.8L38 G39 N40 V45 A46 F335 L338 L339L38-L42 VanDerWaalsContact O-CB 3.27Å; L38-L42 WeakPolarHBondContact O-CB 3.34Å; L38-L42 PolarHBondContact O-N 2.68Å; G39-L42 WeakPolarHBondContact O-CB 3.4Å; G39-L42 PolarHBondContact O-N 2.9Å; N40-L42 VanDerWaalsContact C-N 3.34Å; L42-V45 PolarHBondContact O-N 3.48Å; L42-A46 VanDerWaalsContact O-CB 3.24Å; L42-A46 WeakPolarHBondContact O-CB 3.43Å; L42-A46 PolarHBondContact O-N 3.41Å; L42-F335 HydrophobicContact CD1-CD1 4.3Å; L42-F335 HydrophobicContact CD2-CB 4.11Å; L42-F335 HydrophobicContact CD2-CD1 3.71Å; L42-F335 HydrophobicContact CD2-CD2 4.36Å; L42-F335 HydrophobicContact CD2-CE1 4.18Å; L42-F335 HydrophobicContact CD2-CG 3.82Å; L42-F335 HydrophobicContact CG-CD1 3.61Å; L42-F335 HydrophobicContact CG-CE1 3.89Å; L42-F335 HydrophobicContact CG-CG 4.25Å; L42-L338 HydrophobicContact CD1-CB 3.7Å; L42-L338 HydrophobicContact CD1-CD1 3.71Å; L42-L338 HydrophobicContact CD1-CG 4.35Å; L42-L339 HydrophobicContact CD1-CG 4.49Å; L42-L339 HydrophobicContact CD2-CD1 4.13Å; L42-L339 HydrophobicContact CD2-CD2 4.43Å; L42-L339 HydrophobicContact CD2-CG 4.3Å
43V95.8Very high94.6Very high0 Ų051.5 Ų51.50%026%0.263CS..Hα-helixtrans-59.4-51.1173.61730000110.8G39 N40 T41 V45 A46 V47 V62 A66 P322 Y325 F331 F335G39-V43 WeakPolarHBondContact O-CG2 3.27Å; G39-V43 PolarHBondContact O-N 3.3Å; N40-V43 PolarHBondContact O-N 2.9Å; T41-V43 VanDerWaalsContact C-N 3.32Å; T41-V43 PolarHBondContact O-N 3.21Å; V43-V45 PolarHBondContact O-N 2.97Å; V43-A46 PolarHBondContact O-N 3.35Å; V43-V47 WeakPolarHBondContact O-CG2 3.4Å; V43-V47 PolarHBondContact O-N 3.43Å; V43-V62 HydrophobicContact CG1-CG1 3.61Å; V43-A66 HydrophobicContact CB-CB 4.26Å; V43-A66 HydrophobicContact CG1-CB 3.96Å; V43-P322 HydrophobicContact CG2-CB 4.02Å; V43-P322 HydrophobicContact CG2-CG 4.18Å; V43-Y325 HydrophobicContact CG1-CD2 4.26Å; V43-Y325 HydrophobicContact CG1-CE2 4.38Å; V43-Y325 HydrophobicContact CG2-CD2 3.82Å; V43-Y325 HydrophobicContact CG2-CE2 4.44Å; V43-F331 HydrophobicContact CG1-CE1 4.47Å; V43-F335 HydrophobicContact CG2-CE1 4.4Å; V43-F335 HydrophobicContact CG2-CZ 3.86Å
44C96.8Very high94.4Very high23 Ų2357 Ų5716%0.15528%0.282CS..Hα-helixtrans-58.6-47.2178-72.60000112N40 T41 A46 V47 T48N40-C44 PolarHBondContact O-N 2.99Å; N40-C44 PolarHBondContact O-SG 3.15Å; T41-C44 PolarHBondContact O-N 3.05Å; C44-A46 PolarHBondContact O-N 3.4Å; C44-V47 PolarHBondContact O-N 3.1Å; C44-T48 WeakPolarHBondContact O-CB 3.28Å; C44-T48 VanDerWaalsContact O-CG2 3.26Å; C44-T48 WeakPolarHBondContact O-CG2 3.4Å; C44-T48 PolarHBondContact O-N 3.05Å; C44-T48 PolarHBondContact O-OG1 3.44Å
45V95.7Very high94Very high57 Ų5757.6 Ų57.635%0.34529%0.292SS..Hα-helixtrans-64.1-40.5178.4173.30000111.3T41 L42 V43 T48 K49 L338T41-V45 HydrophobicContact CG2-CG2 4.27Å; T41-V45 WeakPolarHBondContact O-CB 3.25Å; T41-V45 VanDerWaalsContact O-CG2 3.32Å; T41-V45 WeakPolarHBondContact O-CG2 3.43Å; T41-V45 PolarHBondContact O-N 3.29Å; L42-V45 PolarHBondContact O-N 3.48Å; V43-V45 PolarHBondContact O-N 2.97Å; V45-T48 WeakPolarHBondContact CA-OG1 3.42Å; V45-T48 PolarHBondContact O-OG1 3.35Å; V45-T48 VanDerWaalsContact O-OG1 3.13Å; V45-K49 WeakPolarHBondContact O-CB 3.38Å; V45-K49 PolarHBondContact O-N 3.24Å; V45-L338 HydrophobicContact CB-CD1 4.43Å; V45-L338 HydrophobicContact CG1-CD1 3.92Å; V45-L338 HydrophobicContact CG1-CD2 3.77Å
46A94.6Very high93.8Very high0 Ų058.3 Ų58.30%029%0.29CS..Hα-helixtrans-61.2-50.4177.900000111.7L42 V43 C44 T48 F50 L53 A334 F335 L338L42-A46 VanDerWaalsContact O-CB 3.24Å; L42-A46 WeakPolarHBondContact O-CB 3.43Å; L42-A46 PolarHBondContact O-N 3.41Å; V43-A46 PolarHBondContact O-N 3.35Å; C44-A46 PolarHBondContact O-N 3.4Å; A46-T48 PolarHBondContact O-N 3.5Å; A46-F50 HydrophobicContact CB-CD2 4.5Å; A46-F50 WeakPolarHBondContact O-CB 3.28Å; A46-F50 VanDerWaalsContact O-CD2 3.23Å; A46-F50 WeakPolarHBondContact O-CD2 3.37Å; A46-F50 PolarHBondContact O-N 2.86Å; A46-F50 VanDerWaalsContact O-N 3.1Å; A46-L53 HydrophobicContact CB-CD1 4.33Å; A46-A334 HydrophobicContact CB-CB 4Å; A46-F335 HydrophobicContact CB-CD1 3.97Å; A46-F335 HydrophobicContact CB-CE1 3.69Å; A46-L338 HydrophobicContact CB-CD1 3.86Å
47V94.9Very high93.5Very high2 Ų259.7 Ų59.71%0.01230%0.298CS..Hα-helixtrans-67.9-38.3-177.9-176.20000111.5V43 C44 L53 R54 N59 I63 F331V43-V47 WeakPolarHBondContact O-CG2 3.4Å; V43-V47 PolarHBondContact O-N 3.43Å; C44-V47 PolarHBondContact O-N 3.1Å; V47-L53 HydrophobicContact CG1-CB 4.48Å; V47-R54 WeakPolarHBondContact O-CB 3.44Å; V47-N59 HydrophobicContact CG1-CB 3.72Å; V47-N59 HydrophobicContact CG2-CB 4.32Å; V47-I63 HydrophobicContact CB-CD1 3.81Å; V47-I63 HydrophobicContact CB-CG1 3.89Å; V47-I63 HydrophobicContact CG1-CD1 3.4Å; V47-I63 VanDerWaalsContact CG1-CD1 3.4Å; V47-I63 HydrophobicContact CG1-CG1 3.9Å; V47-I63 HydrophobicContact CG2-CG1 4.27Å; V47-F331 HydrophobicContact CG2-CE1 3.61Å; V47-F331 HydrophobicContact CG2-CZ 3.78Å
48T93.4Very high93.1Very high90 Ų9058.7 Ų58.755%0.55229%0.294SS*.Hα-helixtrans-71.6-39.6-179.552.80000112.9C44 V45 A46C44-T48 WeakPolarHBondContact O-CB 3.28Å; C44-T48 VanDerWaalsContact O-CG2 3.26Å; C44-T48 WeakPolarHBondContact O-CG2 3.4Å; C44-T48 PolarHBondContact O-N 3.05Å; C44-T48 PolarHBondContact O-OG1 3.44Å; V45-T48 WeakPolarHBondContact CA-OG1 3.42Å; V45-T48 PolarHBondContact O-OG1 3.35Å; V45-T48 VanDerWaalsContact O-OG1 3.13Å; A46-T48 PolarHBondContact O-N 3.5Å
49K92.6Very high92.9Very high141 Ų14153.9 Ų53.961%0.61327%0.269SS*.Hα-helixtrans-77.6-38.6-177.3-168.4176.4-172.1170.40113.2V45 L338V45-K49 WeakPolarHBondContact O-CB 3.38Å; V45-K49 PolarHBondContact O-N 3.24Å; K49-L338 HydrophobicContact CD-CD2 3.76Å
50F93.2Very high92.9Very high34 Ų3457.1 Ų57.115%0.14928%0.279CS..  trans-94.2111.5-173.4-67.7-75.2000112.3A46 H52 L53 R54 A334 I337 L338A46-F50 HydrophobicContact CB-CD2 4.5Å; A46-F50 WeakPolarHBondContact O-CB 3.28Å; A46-F50 VanDerWaalsContact O-CD2 3.23Å; A46-F50 WeakPolarHBondContact O-CD2 3.37Å; A46-F50 PolarHBondContact O-N 2.86Å; A46-F50 VanDerWaalsContact O-N 3.1Å; F50-H52 VanDerWaalsContact C-N 3.27Å; F50-H52 PolarHBondContact O-N 3.19Å; F50-H52 VanDerWaalsContact O-N 3.16Å; F50-L53 HydrophobicContact CB-CB 4.37Å; F50-L53 HydrophobicContact CB-CD1 4.15Å; F50-L53 HydrophobicContact CB-CG 4.25Å; F50-L53 HydrophobicContact CD2-CD1 4.49Å; F50-L53 PolarHBondContact O-N 3.01Å; F50-R54 PolarHBondContact O-N 3.13Å; F50-A334 HydrophobicContact CD2-CB 3.43Å; F50-A334 VanDerWaalsContact CD2-CB 3.43Å; F50-A334 HydrophobicContact CE2-CB 3.43Å; F50-A334 VanDerWaalsContact CE2-CB 3.43Å; F50-A334 HydrophobicContact CG-CB 4.23Å; F50-A334 HydrophobicContact CZ-CB 4.21Å; F50-I337 HydrophobicContact CE1-CD1 3.97Å; F50-I337 HydrophobicContact CE1-CG2 4.34Å; F50-I337 HydrophobicContact CZ-CB 3.94Å; F50-I337 HydrophobicContact CZ-CD1 4.08Å; F50-I337 HydrophobicContact CZ-CG2 3.83Å; F50-L338 HydrophobicContact CE2-CD1 4.02Å; F50-L338 HydrophobicContact CE2-CD2 4.46Å; F50-L338 HydrophobicContact CE2-CG 3.96Å; F50-L338 HydrophobicContact CZ-CG 4.46Å
51R89.5Confident92.7Very high202 Ų20257.1 Ų57.176%0.76228%0.279SS*.Hα-helixtrans-53.9-37.8-178.1-171.7166.575.6104.7-4.9114.2L53 R54 S55R51-L53 VanDerWaalsContact C-N 3.32Å; R51-L53 PolarHBondContact O-N 3.36Å; R51-R54 PolarHBondContact O-N 2.81Å; R51-S55 WeakPolarHBondContact O-CB 3.23Å; R51-S55 PolarHBondContact O-N 3.05Å; R51-S55 PolarHBondContact O-OG 3.35Å
52H89Confident92.6Very high82 Ų8254.6 Ų54.638%0.3826%0.263SS..Hα-helixtrans-69.8-26.1179.574.7-83.7000113.7F50 S55F50-H52 VanDerWaalsContact C-N 3.27Å; F50-H52 PolarHBondContact O-N 3.19Å; F50-H52 VanDerWaalsContact O-N 3.16Å; H52-S55 PolarHBondContact O-OG 3.43Å; H52-S55 VanDerWaalsContact O-OG 3.13Å
53L90.1Very high92.6Very high1 Ų154.4 Ų54.41%0.00526%0.262CS..Hα-helixtrans-80.5-46.1171.2-68.3178.1000109.7A46 V47 F50 R51 S55 K56 N59 D330 F331 A334A46-L53 HydrophobicContact CB-CD1 4.33Å; V47-L53 HydrophobicContact CG1-CB 4.48Å; F50-L53 HydrophobicContact CB-CB 4.37Å; F50-L53 HydrophobicContact CB-CD1 4.15Å; F50-L53 HydrophobicContact CB-CG 4.25Å; F50-L53 HydrophobicContact CD2-CD1 4.49Å; F50-L53 PolarHBondContact O-N 3.01Å; R51-L53 VanDerWaalsContact C-N 3.32Å; R51-L53 PolarHBondContact O-N 3.36Å; L53-S55 PolarHBondContact O-N 3.41Å; L53-K56 PolarHBondContact O-N 3.35Å; L53-K56 VanDerWaalsContact O-N 3.12Å; L53-N59 WeakPolarHBondContact CA-ND2 3.49Å; L53-N59 PolarHBondContact O-ND2 3.05Å; L53-D330 HydrophobicContact CD2-CB 3.72Å; L53-F331 HydrophobicContact CD1-CD1 4.38Å; L53-F331 HydrophobicContact CD1-CE1 4.4Å; L53-F331 HydrophobicContact CD2-CD2 4.33Å; L53-F331 HydrophobicContact CD2-CE2 4.23Å; L53-A334 HydrophobicContact CD1-CB 3.85Å
54R92.2Very high92.6Very high139 Ų13954.7 Ų54.753%0.52526%0.264SS..Hα-helixtrans-59.5-31.8179.5-168.4174.164.2103.7-1.9113.8V47 F50 R51 K56V47-R54 WeakPolarHBondContact O-CB 3.44Å; F50-R54 PolarHBondContact O-N 3.13Å; R51-R54 PolarHBondContact O-N 2.81Å; R54-K56 PolarHBondContact O-N 3.14Å
55S87.9Confident92.5Very high89 Ų8953.6 Ų53.662%0.62226%0.257SS*.THydrogen-bonded Turntrans-70.1-16.4179.759.30000113.7R51 H52 L53R51-S55 WeakPolarHBondContact O-CB 3.23Å; R51-S55 PolarHBondContact O-N 3.05Å; R51-S55 PolarHBondContact O-OG 3.35Å; H52-S55 PolarHBondContact O-OG 3.43Å; H52-S55 VanDerWaalsContact O-OG 3.13Å; L53-S55 PolarHBondContact O-N 3.41Å
56K90.1Very high92.5Very high88 Ų8850.9 Ų50.938%0.38324%0.241SC..  trans-89115.9178.3-62.3-178.8-178.2-179.70109.6L53 R54 T58 N59 D330L53-K56 PolarHBondContact O-N 3.35Å; L53-K56 VanDerWaalsContact O-N 3.12Å; R54-K56 PolarHBondContact O-N 3.14Å; K56-T58 PolarHBondContact O-N 3.04Å; K56-T58 VanDerWaalsContact O-N 3.11Å; K56-N59 WeakPolarHBondContact O-CB 3.47Å; K56-N59 PolarHBondContact O-N 3.27Å; K56-D330 IonicContact NZ-OD2 3.98Å; K56-D330 PolarHBondContact NZ-OD2 3.39Å
57V89.8Confident92.7Very high28 Ų2854.5 Ų54.517%0.1726%0.259CS..THydrogen-bonded Turntrans-54.8-34-179.8179.70000112.1N59 F60 M134 P136 A139V57-N59 PolarHBondContact O-N 2.85Å; V57-N59 VanDerWaalsContact O-N 3.15Å; V57-F60 HydrophobicContact CG1-CD2 4.41Å; V57-F60 WeakPolarHBondContact O-CB 3.3Å; V57-F60 WeakPolarHBondContact O-CD2 3.36Å; V57-F60 PolarHBondContact O-N 2.88Å; V57-F60 VanDerWaalsContact O-N 3.07Å; V57-M134 HydrophobicContact CG1-CE 3.97Å; V57-M134 HydrophobicContact CG1-CG 4.09Å; V57-P136 HydrophobicContact CG2-CG 4.28Å; V57-A139 HydrophobicContact CG1-CB 3.61Å
58T88.5Confident92.7Very high30 Ų3054.4 Ų54.418%0.18426%0.258CS..Hα-helixtrans-56.7-30.8178.363.80000113.4K56 F60 F61 Y130K56-T58 PolarHBondContact O-N 3.04Å; K56-T58 VanDerWaalsContact O-N 3.11Å; T58-F60 PolarHBondContact O-N 3.24Å; T58-F61 PolarHBondContact O-N 3.32Å; T58-Y130 WeakPolarHBondContact CG2-OH 3.49Å
59N92.6Very high92.8Very high10 Ų1050.1 Ų50.15%0.05323%0.232CC..Hα-helixtrans-76.7-12.7-176.7-67.5-16.5000112.2V47 L53 K56 V57 F61 V62 I63V47-N59 HydrophobicContact CG1-CB 3.72Å; V47-N59 HydrophobicContact CG2-CB 4.32Å; L53-N59 WeakPolarHBondContact CA-ND2 3.49Å; L53-N59 PolarHBondContact O-ND2 3.05Å; K56-N59 WeakPolarHBondContact O-CB 3.47Å; K56-N59 PolarHBondContact O-N 3.27Å; V57-N59 PolarHBondContact O-N 2.85Å; V57-N59 VanDerWaalsContact O-N 3.15Å; N59-F61 VanDerWaalsContact C-N 3.35Å; N59-V62 PolarHBondContact O-N 3.46Å; N59-I63 WeakPolarHBondContact O-CG1 3.44Å; N59-I63 PolarHBondContact O-N 3.48Å
60F94.1Very high93Very high82 Ų8244.7 Ų44.736%0.3621%0.21SC..Hα-helixtrans-67-35.8168.4-69.8-61.8000112.1V57 T58 V62 I63 S64 I143V57-F60 HydrophobicContact CG1-CD2 4.41Å; V57-F60 WeakPolarHBondContact O-CB 3.3Å; V57-F60 WeakPolarHBondContact O-CD2 3.36Å; V57-F60 PolarHBondContact O-N 2.88Å; V57-F60 VanDerWaalsContact O-N 3.07Å; T58-F60 PolarHBondContact O-N 3.24Å; F60-V62 VanDerWaalsContact C-N 3.33Å; F60-I63 HydrophobicContact CD1-CD1 4.44Å; F60-I63 PolarHBondContact O-N 3.01Å; F60-S64 PolarHBondContact O-N 3.42Å; F60-I143 HydrophobicContact CB-CD1 4.19Å
61F94.5Very high93.2Very high0 Ų045.3 Ų45.30%022%0.215CC..Hα-helixtrans-66.8-38173.4-57.7-58.3000111.9T58 N59 S64 L65 V115 I116 D119 M134 A139 M142 I143T58-F61 PolarHBondContact O-N 3.32Å; N59-F61 VanDerWaalsContact C-N 3.35Å; F61-S64 PolarHBondContact O-N 2.85Å; F61-L65 PolarHBondContact O-N 3.26Å; F61-V115 HydrophobicContact CD1-CG1 3.35Å; F61-V115 HydrophobicContact CE1-CG1 3.31Å; F61-V115 HydrophobicContact CG-CG1 4.07Å; F61-V115 HydrophobicContact CZ-CG1 3.98Å; F61-I116 HydrophobicContact CB-CD1 4.29Å; F61-I116 HydrophobicContact CB-CG1 3.61Å; F61-I116 HydrophobicContact CG-CG1 4.46Å; F61-D119 HydrophobicContact CD2-CB 4.23Å; F61-D119 HydrophobicContact CE2-CB 3.81Å; F61-M134 HydrophobicContact CE2-CE 3.25Å; F61-M134 HydrophobicContact CZ-CE 3.37Å; F61-A139 HydrophobicContact CE1-CB 4.08Å; F61-A139 HydrophobicContact CE2-CB 4.41Å; F61-A139 HydrophobicContact CZ-CB 3.78Å; F61-M142 HydrophobicContact CE1-CB 3.99Å; F61-M142 HydrophobicContact CE1-SD 4.37Å; F61-M142 HydrophobicContact CZ-CB 4.43Å; F61-M142 HydrophobicContact CZ-CE 4.46Å; F61-M142 HydrophobicContact CZ-SD 3.9Å; F61-I143 HydrophobicContact CD1-CD1 3.87Å; F61-I143 HydrophobicContact CD1-CG1 3.62Å; F61-I143 HydrophobicContact CE1-CD1 4.2Å; F61-I143 HydrophobicContact CE1-CG1 3.86Å
62V93.6Very high93.4Very high13 Ų1335.8 Ų35.88%0.07918%0.179CC..Hα-helixtrans-63.2-41.9175175.50000111V43 N59 F60 L65 A66 Y325 F331V43-V62 HydrophobicContact CG1-CG1 3.61Å; N59-V62 PolarHBondContact O-N 3.46Å; F60-V62 VanDerWaalsContact C-N 3.33Å; V62-L65 PolarHBondContact O-N 3.14Å; V62-A66 WeakPolarHBondContact O-CB 3.05Å; V62-A66 PolarHBondContact O-N 3.5Å; V62-Y325 HydrophobicContact CG1-CD2 4.13Å; V62-Y325 HydrophobicContact CG1-CE1 4.15Å; V62-Y325 HydrophobicContact CG1-CE2 3.65Å; V62-Y325 HydrophobicContact CG2-CE1 4.14Å; V62-F331 HydrophobicContact CG1-CE1 4.42Å; V62-F331 HydrophobicContact CG1-CZ 4.07Å
63I95.6Very high93.7Very high31 Ų3132 Ų3216%0.15916%0.161CC..Hα-helixtrans-62.5-47173-70.4165.4000110.6V47 N59 F60 L65 A66 I67V47-I63 HydrophobicContact CB-CD1 3.81Å; V47-I63 HydrophobicContact CB-CG1 3.89Å; V47-I63 HydrophobicContact CG1-CD1 3.4Å; V47-I63 VanDerWaalsContact CG1-CD1 3.4Å; V47-I63 HydrophobicContact CG1-CG1 3.9Å; V47-I63 HydrophobicContact CG2-CG1 4.27Å; N59-I63 WeakPolarHBondContact O-CG1 3.44Å; N59-I63 PolarHBondContact O-N 3.48Å; F60-I63 HydrophobicContact CD1-CD1 4.44Å; F60-I63 PolarHBondContact O-N 3.01Å; I63-L65 VanDerWaalsContact C-N 3.29Å; I63-L65 PolarHBondContact O-N 3.02Å; I63-A66 PolarHBondContact O-N 3.42Å; I63-I67 HydrophobicContact CG2-CD1 3.7Å; I63-I67 HydrophobicContact CG2-CG1 4.24Å; I63-I67 WeakPolarHBondContact O-CG1 3.36Å; I63-I67 PolarHBondContact O-N 3.07Å
64S96.6Very high94Very high6 Ų636.3 Ų36.34%0.04218%0.184CC..Hα-helixtrans-58-43.1179.4-176.70000111.6F60 F61 I67 S68 N112 I143 W147F60-S64 PolarHBondContact O-N 3.42Å; F61-S64 PolarHBondContact O-N 2.85Å; S64-I67 PolarHBondContact O-N 3.4Å; S64-S68 PolarHBondContact O-N 3.37Å; S64-S68 PolarHBondContact O-OG 3.26Å; S64-N112 VanDerWaalsContact CB-OD1 3.25Å; S64-N112 WeakPolarHBondContact CB-OD1 3.37Å; S64-N112 PolarHBondContact OG-OD1 2.95Å; S64-I143 WeakPolarHBondContact OG-CG2 3.27Å; S64-W147 PolarHBondContact OG-NE1 3.29Å
65L94.5Very high94Very high1 Ų132.2 Ų32.21%0.00517%0.172CC..Hα-helixtrans-62.2-48.3174.2-174.168.1000111.9F61 V62 I63 I67 S68 D69 S109 N112 L113 I116 Y325F61-L65 PolarHBondContact O-N 3.26Å; V62-L65 PolarHBondContact O-N 3.14Å; I63-L65 VanDerWaalsContact C-N 3.29Å; I63-L65 PolarHBondContact O-N 3.02Å; L65-I67 VanDerWaalsContact C-N 3.26Å; L65-I67 PolarHBondContact O-N 3.02Å; L65-S68 WeakPolarHBondContact CA-OG 3.45Å; L65-S68 PolarHBondContact O-N 2.86Å; L65-S68 VanDerWaalsContact O-N 3.08Å; L65-S68 PolarHBondContact O-OG 3.31Å; L65-D69 PolarHBondContact O-N 3.45Å; L65-S109 VanDerWaalsContact CD1-O 3.28Å; L65-S109 WeakPolarHBondContact CD1-O 3.49Å; L65-S109 WeakPolarHBondContact CD1-OG 3.27Å; L65-N112 HydrophobicContact CB-CB 4.16Å; L65-N112 HydrophobicContact CD1-CB 3.77Å; L65-L113 HydrophobicContact CD1-CD2 4.38Å; L65-L113 HydrophobicContact CD1-CG 3.92Å; L65-L113 HydrophobicContact CD2-CD2 3.65Å; L65-L113 HydrophobicContact CD2-CG 4.12Å; L65-I116 HydrophobicContact CB-CD1 4.44Å; L65-I116 HydrophobicContact CD2-CD1 4.13Å; L65-Y325 WeakPolarHBondContact CD2-OH 3.42Å
66A96.2Very high94.3Very high0 Ų028 Ų280%014%0.142CC..Hα-helixtrans-59.9-37.1178.600000111.9N40 V43 V62 I63 D69 L70N40-A66 HydrophobicContact CB-CB 4.16Å; V43-A66 HydrophobicContact CB-CB 4.26Å; V43-A66 HydrophobicContact CG1-CB 3.96Å; V62-A66 WeakPolarHBondContact O-CB 3.05Å; V62-A66 PolarHBondContact O-N 3.5Å; I63-A66 PolarHBondContact O-N 3.42Å; A66-D69 PolarHBondContact O-N 3.42Å; A66-L70 WeakPolarHBondContact O-CB 3.4Å; A66-L70 WeakPolarHBondContact O-CG 3.28Å; A66-L70 PolarHBondContact O-N 3.28Å
67I96.9Very high94.4Very high75 Ų7523.9 Ų23.939%0.38512%0.124SC..Hα-helixtrans-64.6-46.9173.5-68.3169.1000110.6I63 S64 L65 D69 L70 L71 W147I63-I67 HydrophobicContact CG2-CD1 3.7Å; I63-I67 HydrophobicContact CG2-CG1 4.24Å; I63-I67 WeakPolarHBondContact O-CG1 3.36Å; I63-I67 PolarHBondContact O-N 3.07Å; S64-I67 PolarHBondContact O-N 3.4Å; L65-I67 VanDerWaalsContact C-N 3.26Å; L65-I67 PolarHBondContact O-N 3.02Å; I67-D69 VanDerWaalsContact C-N 3.31Å; I67-D69 PolarHBondContact O-N 3.08Å; I67-L70 PolarHBondContact O-N 3.21Å; I67-L71 WeakPolarHBondContact O-CG 3.19Å; I67-L71 PolarHBondContact O-N 3.22Å; I67-W147 HydrophobicContact CB-CZ2 4.47Å; I67-W147 HydrophobicContact CG2-CH2 4.05Å; I67-W147 HydrophobicContact CG2-CZ2 4.05Å
68S96.1Very high94.5Very high0 Ų024.9 Ų24.90%013%0.132CC..Hα-helixtrans-60.1-41176.855.30000112.4S64 L65 L71 V72 S109S64-S68 PolarHBondContact O-N 3.37Å; S64-S68 PolarHBondContact O-OG 3.26Å; L65-S68 WeakPolarHBondContact CA-OG 3.45Å; L65-S68 PolarHBondContact O-N 2.86Å; L65-S68 VanDerWaalsContact O-N 3.08Å; L65-S68 PolarHBondContact O-OG 3.31Å; S68-L71 WeakPolarHBondContact O-CB 3.5Å; S68-L71 PolarHBondContact O-N 3.35Å; S68-V72 WeakPolarHBondContact O-CG2 3.5Å; S68-V72 PolarHBondContact O-N 3.34Å; S68-S109 WeakPolarHBondContact OG-CA 3.35Å
69D95.8Very high94.6Very high0 Ų027.8 Ų27.80%014%0.139CC..Hα-helixtrans-68.6-35.8178.4-70.8-25.8000112.5L65 A66 I67 L71 V72 A73 S109 S318 N321L65-D69 PolarHBondContact O-N 3.45Å; A66-D69 PolarHBondContact O-N 3.42Å; I67-D69 VanDerWaalsContact C-N 3.31Å; I67-D69 PolarHBondContact O-N 3.08Å; D69-L71 VanDerWaalsContact C-N 3.33Å; D69-V72 PolarHBondContact O-N 3.17Å; D69-A73 PolarHBondContact O-N 3.38Å; D69-A73 VanDerWaalsContact O-N 3.09Å; D69-S109 PolarHBondContact OD1-OG 2.95Å; D69-S318 VanDerWaalsContact OD1-CB 3.28Å; D69-S318 WeakPolarHBondContact OD1-CB 3.41Å; D69-S318 PolarHBondContact OD1-OG 3.47Å; D69-N321 PolarHBondContact OD2-ND2 2.9Å
70L97.1Very high94.4Very high28 Ų2827.9 Ų27.915%0.14714%0.139CC..Hα-helixtrans-62.9-39.9170.9-74.2170.5000111.5L37 N40 A66 I67 V72 A73 I74L37-L70 HydrophobicContact CD2-CD2 4.02Å; N40-L70 HydrophobicContact CB-CD1 4.43Å; N40-L70 HydrophobicContact CB-CD2 3.86Å; N40-L70 HydrophobicContact CB-CG 3.75Å; A66-L70 WeakPolarHBondContact O-CB 3.4Å; A66-L70 WeakPolarHBondContact O-CG 3.28Å; A66-L70 PolarHBondContact O-N 3.28Å; I67-L70 PolarHBondContact O-N 3.21Å; L70-V72 VanDerWaalsContact C-N 3.35Å; L70-A73 PolarHBondContact O-N 2.99Å; L70-I74 WeakPolarHBondContact O-CB 3.49Å; L70-I74 VanDerWaalsContact O-CG1 3.25Å; L70-I74 WeakPolarHBondContact O-CG1 3.47Å; L70-I74 PolarHBondContact O-N 3.05Å
71L96.4Very high94.2Very high47 Ų4724.5 Ų24.525%0.24613%0.126CC..Hα-helixtrans-64.3-38.5175.5-66.1179.8000111.8I67 S68 D69 A73 I74 L75 C105 W147I67-L71 WeakPolarHBondContact O-CG 3.19Å; I67-L71 PolarHBondContact O-N 3.22Å; S68-L71 WeakPolarHBondContact O-CB 3.5Å; S68-L71 PolarHBondContact O-N 3.35Å; D69-L71 VanDerWaalsContact C-N 3.33Å; L71-A73 VanDerWaalsContact C-N 3.33Å; L71-A73 PolarHBondContact O-N 2.7Å; L71-I74 PolarHBondContact O-N 3.15Å; L71-L75 HydrophobicContact CB-CD1 4.38Å; L71-L75 HydrophobicContact CD2-CD1 3.98Å; L71-L75 VanDerWaalsContact O-CB 3.28Å; L71-L75 WeakPolarHBondContact O-CB 3.26Å; L71-L75 PolarHBondContact O-N 2.77Å; L71-C105 HydrophobicContact CB-CB 4.48Å; L71-W147 HydrophobicContact CD1-CH2 3.64Å; L71-W147 HydrophobicContact CD1-CZ3 3.73Å
72V94.6Very high94Very high2 Ų226 Ų261%0.01214%0.139CC..Iπ-helixtrans-58.1-48.1172.1-176.70000110.2S68 D69 L70 I74 V76 M77 C105 W315S68-V72 WeakPolarHBondContact O-CG2 3.5Å; S68-V72 PolarHBondContact O-N 3.34Å; D69-V72 PolarHBondContact O-N 3.17Å; L70-V72 VanDerWaalsContact C-N 3.35Å; V72-I74 VanDerWaalsContact C-N 3.32Å; V72-I74 PolarHBondContact O-N 2.97Å; V72-V76 HydrophobicContact CG1-CB 4.21Å; V72-V76 WeakPolarHBondContact O-CA 3.4Å; V72-V76 VanDerWaalsContact O-CB 3.27Å; V72-V76 WeakPolarHBondContact O-CB 3.41Å; V72-V76 PolarHBondContact O-N 3.28Å; V72-M77 HydrophobicContact CB-CE 4.18Å; V72-M77 HydrophobicContact CG1-CE 3.45Å; V72-M77 VanDerWaalsContact CG1-CE 3.45Å; V72-M77 HydrophobicContact CG1-CG 4.09Å; V72-M77 PolarHBondContact O-N 2.65Å; V72-C105 HydrophobicContact CB-CB 4.47Å; V72-C105 HydrophobicContact CG2-CB 3.53Å; V72-W315 HydrophobicContact CG1-CG 4.48Å
73A95.7Very high93.6Very high1 Ų125.9 Ų25.91%0.00814%0.138CC..Iπ-helixtrans-67.5-27.7-177.600000114.4T36 L37 D69 L70 L71 M77 P78T36-A73 HydrophobicContact CG2-CB 3.76Å; L37-A73 HydrophobicContact CD2-CB 3.76Å; L37-A73 HydrophobicContact CG-CB 3.91Å; D69-A73 PolarHBondContact O-N 3.38Å; D69-A73 VanDerWaalsContact O-N 3.09Å; L70-A73 PolarHBondContact O-N 2.99Å; L71-A73 VanDerWaalsContact C-N 3.33Å; L71-A73 PolarHBondContact O-N 2.7Å; A73-M77 HydrophobicContact CB-SD 4.28Å; A73-P78 VanDerWaalsContact O-CD 3.26Å; A73-P78 WeakPolarHBondContact O-CD 3.44Å; A73-P78 WeakPolarHBondContact O-CG 3.42Å
74I95.3Very high93Very high93 Ų9326.4 Ų26.448%0.47714%0.14SC..Iπ-helixtrans-93.1-45.8-178.3-63.6169.3000111.5L37 L70 L71 V72L37-I74 HydrophobicContact CD2-CD1 4.19Å; L37-I74 HydrophobicContact CD2-CG1 3.67Å; L70-I74 WeakPolarHBondContact O-CB 3.49Å; L70-I74 VanDerWaalsContact O-CG1 3.25Å; L70-I74 WeakPolarHBondContact O-CG1 3.47Å; L70-I74 PolarHBondContact O-N 3.05Å; L71-I74 PolarHBondContact O-N 3.15Å; V72-I74 VanDerWaalsContact C-N 3.32Å; V72-I74 PolarHBondContact O-N 2.97Å
75L93.3Very high92.6Very high52 Ų5229.8 Ų29.827%0.27216%0.157SC..Iπ-helixtrans-97.4-18.8-169-58.9-180000113.8L71 W79 F101L71-L75 HydrophobicContact CB-CD1 4.38Å; L71-L75 HydrophobicContact CD2-CD1 3.98Å; L71-L75 VanDerWaalsContact O-CB 3.28Å; L71-L75 WeakPolarHBondContact O-CB 3.26Å; L71-L75 PolarHBondContact O-N 2.77Å; L75-W79 PolarHBondContact O-NE1 3.41Å; L75-F101 HydrophobicContact CB-CB 4.48Å; L75-F101 HydrophobicContact CD1-CD1 3.83Å; L75-F101 HydrophobicContact CD1-CE1 4Å; L75-F101 HydrophobicContact CD1-CG 4.37Å
76V92.5Very high92.1Very high0 Ų032.6 Ų32.60%017%0.174CC..Iπ-helixtrans-114.2-62.3-171.8-177.50000110.9V72 W79 K80 W98 D102 C105 W315V72-V76 HydrophobicContact CG1-CB 4.21Å; V72-V76 WeakPolarHBondContact O-CA 3.4Å; V72-V76 VanDerWaalsContact O-CB 3.27Å; V72-V76 WeakPolarHBondContact O-CB 3.41Å; V72-V76 PolarHBondContact O-N 3.28Å; V76-W79 PolarHBondContact O-N 2.86Å; V76-K80 PolarHBondContact O-N 2.97Å; V76-W98 HydrophobicContact CG1-CZ2 3.98Å; V76-W98 PolarHBondContact O-NE1 3.5Å; V76-D102 HydrophobicContact CG1-CB 3.78Å; V76-D102 WeakPolarHBondContact CG1-OD1 3.43Å; V76-D102 HydrophobicContact CG2-CB 4.22Å; V76-C105 HydrophobicContact CG2-CB 4.35Å; V76-W315 HydrophobicContact CG1-CZ2 4.01Å
77M92.3Very high91.3Very high2 Ų234.8 Ų34.81%0.0120%0.196CC..Hα-helixtrans-59.3-42.1-169.6-61.1-178.4-167.100114.5L32 I33 T36 V72 A73 W79 A81 W315L32-M77 HydrophobicContact CD2-CE 3.63Å; L32-M77 HydrophobicContact CD2-SD 3.46Å; L32-M77 WeakPolarHBondContact CD2-SD 3.48Å; I33-M77 HydrophobicContact CD1-CB 3.86Å; I33-M77 HydrophobicContact CG1-CB 3.53Å; I33-M77 HydrophobicContact CG1-CG 4.32Å; I33-M77 HydrophobicContact CG1-SD 3.82Å; T36-M77 HydrophobicContact CG2-CE 4.23Å; V72-M77 HydrophobicContact CB-CE 4.18Å; V72-M77 HydrophobicContact CG1-CE 3.45Å; V72-M77 VanDerWaalsContact CG1-CE 3.45Å; V72-M77 HydrophobicContact CG1-CG 4.09Å; V72-M77 PolarHBondContact O-N 2.65Å; A73-M77 HydrophobicContact CB-SD 4.28Å; M77-W79 PolarHBondContact O-N 3.41Å; M77-A81 WeakPolarHBondContact O-CB 3.44Å; M77-A81 PolarHBondContact O-N 3.31Å; M77-W315 HydrophobicContact CE-CB 3.72Å; M77-W315 HydrophobicContact CE-CG 4.07Å; M77-W315 HydrophobicContact CG-CD2 4.06Å; M77-W315 HydrophobicContact CG-CE3 4.14Å; M77-W315 HydrophobicContact CG-CG 4.34Å
78P93.3Very high90.5Very high50 Ų5036.2 Ų36.233%0.32520%0.2SC..Hα-helixtrans-64.3-39.3-174.8-24.236.3000113.3I33 A73 A82I33-P78 HydrophobicContact CD1-CG 4.42Å; A73-P78 VanDerWaalsContact O-CD 3.26Å; A73-P78 WeakPolarHBondContact O-CD 3.44Å; A73-P78 WeakPolarHBondContact O-CG 3.42Å; P78-A82 WeakPolarHBondContact O-CB 3.5Å; P78-A82 PolarHBondContact O-N 2.92Å
79W90.8Very high89.9Confident90 Ų9036.9 Ų36.934%0.34120%0.202SC..Hα-helixtrans-71.2-42.8-177.2-51.1103.4000111.9L75 V76 M77 A82 T83 W89 F91 F94 W98L75-W79 PolarHBondContact O-NE1 3.41Å; V76-W79 PolarHBondContact O-N 2.86Å; M77-W79 PolarHBondContact O-N 3.41Å; W79-A82 PolarHBondContact O-N 3.25Å; W79-T83 PolarHBondContact O-N 3.29Å; W79-T83 VanDerWaalsContact O-N 3.09Å; W79-T83 PolarHBondContact O-OG1 2.84Å; W79-W89 HydrophobicContact CB-CH2 4.05Å; W79-W89 HydrophobicContact CB-CZ3 4.26Å; W79-F91 HydrophobicContact CB-CE2 4.37Å; W79-F91 AromaticContact CE3-CD1 3.96Å; W79-F91 HydrophobicContact CE3-CD1 3.96Å; W79-F91 HydrophobicContact CE3-CD2 4.28Å; W79-F91 AromaticContact CE3-CE1 3.67Å; W79-F91 HydrophobicContact CE3-CE1 3.67Å; W79-F91 HydrophobicContact CE3-CE2 4.01Å; W79-F91 HydrophobicContact CE3-CG 4.26Å; W79-F91 AromaticContact CE3-CZ 3.7Å; W79-F91 HydrophobicContact CE3-CZ 3.7Å; W79-F91 HydrophobicContact CZ3-CD1 4Å; W79-F91 AromaticContact CZ3-CE1 3.75Å; W79-F91 HydrophobicContact CZ3-CE1 3.75Å; W79-F91 HydrophobicContact CZ3-CZ 4.22Å; W79-F94 AromaticContact CD2-CE1 3.83Å; W79-F94 HydrophobicContact CD2-CE1 3.83Å; W79-F94 AromaticContact CE2-CE1 3.91Å; W79-F94 HydrophobicContact CE3-CE1 4.28Å; W79-F94 HydrophobicContact CG-CE1 4.01Å; W79-F94 HydrophobicContact CZ2-CE1 4.44Å; W79-W98 AromaticContact CD1-CD1 3.74Å; W79-W98 AromaticContact CG-CD1 3.95Å
80K87Confident89.3Confident12 Ų1239.8 Ų39.85%0.05222%0.221CC..Hα-helixtrans-70.8-38.3175.1-174.355.2163.7156.60111V76 A82 T83 E84 W98 D183 D308 W315V76-K80 PolarHBondContact O-N 2.97Å; K80-A82 VanDerWaalsContact C-N 3.32Å; K80-A82 PolarHBondContact O-N 3.03Å; K80-T83 CarbonylContact O-C 3.59Å; K80-T83 WeakPolarHBondContact O-CA 3.36Å; K80-T83 WeakPolarHBondContact O-CB 3.2Å; K80-T83 PolarHBondContact O-N 2.96Å; K80-E84 WeakPolarHBondContact CE-OE1 3.47Å; K80-E84 IonicContact NZ-OE1 2.67Å; K80-E84 PolarHBondContact NZ-OE1 3.17Å; K80-E84 WeakPolarHBondContact O-CG 3.35Å; K80-E84 PolarHBondContact O-N 3.43Å; K80-W98 HydrophobicContact CB-CH2 4.23Å; K80-W98 HydrophobicContact CB-CZ2 3.56Å; K80-W98 HydrophobicContact CD-CH2 4.26Å; K80-W98 HydrophobicContact CD-CZ2 4.47Å; K80-W98 HydrophobicContact CG-CH2 4.26Å; K80-W98 HydrophobicContact CG-CZ2 4.05Å; K80-D183 IonicContact NZ-OD1 2.71Å; K80-D308 WeakPolarHBondContact CE-OD1 3.28Å; K80-D308 IonicContact NZ-OD1 2.7Å; K80-D308 PolarHBondContact NZ-OD1 2.86Å; K80-W315 HydrophobicContact CB-CH2 3.73Å; K80-W315 HydrophobicContact CB-CZ2 4.34Å; K80-W315 HydrophobicContact CG-CH2 3.51Å; K80-W315 HydrophobicContact CG-CZ2 4.21Å
81A90.4Very high88.8Confident11 Ų1141.7 Ų41.79%0.09123%0.229CC..Hα-helixtrans-58.8-41172.900000112.9L29 I33 M77 T83 E84 I85L29-A81 HydrophobicContact CB-CB 4.07Å; L29-A81 HydrophobicContact CD1-CB 3.78Å; I33-A81 HydrophobicContact CD1-CB 4.42Å; M77-A81 WeakPolarHBondContact O-CB 3.44Å; M77-A81 PolarHBondContact O-N 3.31Å; A81-T83 VanDerWaalsContact C-N 3.34Å; A81-E84 PolarHBondContact O-N 3.33Å; A81-I85 WeakPolarHBondContact O-CD1 3.41Å; A81-I85 WeakPolarHBondContact O-CG1 3.46Å; A81-I85 PolarHBondContact O-N 3.09Å
82A89.7Confident88.2Confident33 Ų3341.7 Ų41.727%0.27324%0.24SC..Hα-helixtrans-62.6-41.7173.300000111.9P78 W79 K80 I85 V86 F91P78-A82 WeakPolarHBondContact O-CB 3.5Å; P78-A82 PolarHBondContact O-N 2.92Å; W79-A82 PolarHBondContact O-N 3.25Å; K80-A82 VanDerWaalsContact C-N 3.32Å; K80-A82 PolarHBondContact O-N 3.03Å; A82-I85 PolarHBondContact O-N 3.3Å; A82-V86 WeakPolarHBondContact O-CB 3.39Å; A82-V86 VanDerWaalsContact O-CG2 3.24Å; A82-V86 WeakPolarHBondContact O-CG2 3.16Å; A82-V86 PolarHBondContact O-N 3.18Å; A82-F91 HydrophobicContact CB-CE2 4.14Å; A82-F91 HydrophobicContact CB-CZ 3.85Å
83T85.9Confident87.5Confident10 Ų1045.9 Ų45.96%0.06128%0.275CS..Hα-helixtrans-63.3-41.7177.5-56.70000111.9W79 K80 A81 I85 V86 G87 F88 W89W79-T83 PolarHBondContact O-N 3.29Å; W79-T83 VanDerWaalsContact O-N 3.09Å; W79-T83 PolarHBondContact O-OG1 2.84Å; K80-T83 CarbonylContact O-C 3.59Å; K80-T83 WeakPolarHBondContact O-CA 3.36Å; K80-T83 WeakPolarHBondContact O-CB 3.2Å; K80-T83 PolarHBondContact O-N 2.96Å; A81-T83 VanDerWaalsContact C-N 3.34Å; T83-I85 VanDerWaalsContact C-N 3.33Å; T83-I85 PolarHBondContact O-N 3.26Å; T83-V86 PolarHBondContact O-N 3.44Å; T83-G87 WeakPolarHBondContact O-CA 3.41Å; T83-G87 PolarHBondContact O-N 3.01Å; T83-F88 WeakPolarHBondContact CG2-O 3.27Å; T83-W89 HydrophobicContact CG2-CB 4.32Å; T83-W89 HydrophobicContact CG2-CE3 4.09Å
84E83.8Confident87Confident41 Ų4149 Ų4919%0.19229%0.288CS..Hα-helixtrans-62.8-37.5177.2-70.3-53.4131.100112.8T25 L29 K80 A81 W312T25-E84 HydrophobicContact CG2-CB 4.48Å; L29-E84 HydrophobicContact CD1-CB 4.3Å; L29-E84 HydrophobicContact CD1-CG 4.25Å; K80-E84 WeakPolarHBondContact CE-OE1 3.47Å; K80-E84 IonicContact NZ-OE1 2.67Å; K80-E84 PolarHBondContact NZ-OE1 3.17Å; K80-E84 WeakPolarHBondContact O-CG 3.35Å; K80-E84 PolarHBondContact O-N 3.43Å; A81-E84 PolarHBondContact O-N 3.33Å; E84-W312 HydrophobicContact CG-CZ2 4.03Å
85I86.5Confident86.4Confident77 Ų7745.9 Ų45.940%0.39527%0.274SS..Hα-helixtrans-75.2-40.7180-64165.7000110.7A81 A82 T83A81-I85 WeakPolarHBondContact O-CD1 3.41Å; A81-I85 WeakPolarHBondContact O-CG1 3.46Å; A81-I85 PolarHBondContact O-N 3.09Å; A82-I85 PolarHBondContact O-N 3.3Å; T83-I85 VanDerWaalsContact C-N 3.33Å; T83-I85 PolarHBondContact O-N 3.26Å
86V84.9Confident85.8Confident61 Ų6145.8 Ų45.837%0.3727%0.274SS..Hα-helixtrans-77.1-30.6-177.3171.40000111.6A82 T83 F88A82-V86 WeakPolarHBondContact O-CB 3.39Å; A82-V86 VanDerWaalsContact O-CG2 3.24Å; A82-V86 WeakPolarHBondContact O-CG2 3.16Å; A82-V86 PolarHBondContact O-N 3.18Å; T83-V86 PolarHBondContact O-N 3.44Å; V86-F88 HydrophobicContact CG1-CD1 3.4Å; V86-F88 HydrophobicContact CG1-CD2 4.37Å; V86-F88 HydrophobicContact CG1-CE1 3.14Å; V86-F88 HydrophobicContact CG1-CE2 4.17Å; V86-F88 HydrophobicContact CG1-CG 4.02Å; V86-F88 HydrophobicContact CG1-CZ 3.57Å
87G79Confident85.5Confident45 Ų4548.8 Ų48.846%0.46429%0.292SS..SBendtrans84.14.6179.800000114.8T83T83-G87 WeakPolarHBondContact O-CA 3.41Å; T83-G87 PolarHBondContact O-N 3.01Å
88F80Confident85.3Confident105 Ų10549.2 Ų49.246%0.46129%0.294SS..SBendtrans-152.8167.3172.569.3-91000109.3T83 V86 P90T83-F88 WeakPolarHBondContact CG2-O 3.27Å; V86-F88 HydrophobicContact CG1-CD1 3.4Å; V86-F88 HydrophobicContact CG1-CD2 4.37Å; V86-F88 HydrophobicContact CG1-CE1 3.14Å; V86-F88 HydrophobicContact CG1-CE2 4.17Å; V86-F88 HydrophobicContact CG1-CG 4.02Å; V86-F88 HydrophobicContact CG1-CZ 3.57Å; F88-P90 HydrophobicContact CE2-CB 3.88Å; F88-P90 HydrophobicContact CZ-CB 4.5Å; F88-P90 WeakPolarHBondContact O-CD 3.49Å
89W83.9Confident84.9Confident15 Ų1547.2 Ų47.26%0.05728%0.281CS..  trans-87.8107.6178.3179.4-96.6000112W79 T83 F91 G92 F94 C95 W98 D180 C182W79-W89 HydrophobicContact CB-CH2 4.05Å; W79-W89 HydrophobicContact CB-CZ3 4.26Å; T83-W89 HydrophobicContact CG2-CB 4.32Å; T83-W89 HydrophobicContact CG2-CE3 4.09Å; W89-F91 HydrophobicContact CD2-CB 4.48Å; W89-F91 AromaticContact CD2-CD2 3.93Å; W89-F91 HydrophobicContact CD2-CD2 3.93Å; W89-F91 AromaticContact CE2-CD2 3.81Å; W89-F91 HydrophobicContact CE3-CD2 4.04Å; W89-F91 AromaticContact CH2-CD2 3.87Å; W89-F91 HydrophobicContact CH2-CD2 3.87Å; W89-F91 HydrophobicContact CZ2-CB 3.75Å; W89-F91 AromaticContact CZ2-CD2 3.79Å; W89-F91 HydrophobicContact CZ2-CD2 3.79Å; W89-F91 HydrophobicContact CZ2-CG 4.21Å; W89-F91 HydrophobicContact CZ3-CD2 4.01Å; W89-G92 PolarHBondContact NE1-O 3.45Å; W89-F94 HydrophobicContact CH2-CD1 4.22Å; W89-F94 HydrophobicContact CZ2-CB 4.39Å; W89-F94 AromaticContact CZ2-CD1 3.81Å; W89-F94 HydrophobicContact CZ2-CD1 3.81Å; W89-C95 HydrophobicContact CZ2-CB 4.21Å; W89-W98 HydrophobicContact CH2-CB 3.67Å; W89-W98 AromaticContact CH2-CD2 3.85Å; W89-W98 HydrophobicContact CH2-CD2 3.85Å; W89-W98 HydrophobicContact CH2-CE3 4.24Å; W89-W98 AromaticContact CH2-CG 3.54Å; W89-W98 HydrophobicContact CH2-CG 3.54Å; W89-W98 HydrophobicContact CZ2-CB 4.1Å; W89-W98 HydrophobicContact CZ2-CG 4.44Å; W89-W98 HydrophobicContact CZ3-CD2 4.05Å; W89-W98 HydrophobicContact CZ3-CE3 4.25Å; W89-W98 HydrophobicContact CZ3-CG 4.2Å; W89-D180 WeakPolarHBondContact CB-O 3.36Å; W89-C182 HydrophobicContact CB-CB 3.71Å; W89-C182 HydrophobicContact CD2-CB 3.35Å; W89-C182 HydrophobicContact CE3-CB 3.51Å; W89-C182 HydrophobicContact CG-CB 3.45Å; W89-C182 VanDerWaalsContact CG-CB 3.45Å; W89-C182 HydrophobicContact CZ3-CB 4.28Å
90P83.4Confident84.8Confident61 Ų6143 Ų4340%0.39627%0.265SS..THydrogen-bonded Turntrans-84.9-8.3-176.135.5-37.3000113.7F88 G92F88-P90 HydrophobicContact CE2-CB 3.88Å; F88-P90 HydrophobicContact CZ-CB 4.5Å; F88-P90 WeakPolarHBondContact O-CD 3.49Å; P90-G92 VanDerWaalsContact C-N 3.34Å; P90-G92 PolarHBondContact O-N 3.47Å
91F85.9Confident85Confident68 Ų6845 Ų4530%0.29827%0.274SS..THydrogen-bonded Turntrans-9211.5-168.8-46.9-75.5000114.1W79 A82 W89 A93 F94W79-F91 HydrophobicContact CB-CE2 4.37Å; W79-F91 AromaticContact CE3-CD1 3.96Å; W79-F91 HydrophobicContact CE3-CD1 3.96Å; W79-F91 HydrophobicContact CE3-CD2 4.28Å; W79-F91 AromaticContact CE3-CE1 3.67Å; W79-F91 HydrophobicContact CE3-CE1 3.67Å; W79-F91 HydrophobicContact CE3-CE2 4.01Å; W79-F91 HydrophobicContact CE3-CG 4.26Å; W79-F91 AromaticContact CE3-CZ 3.7Å; W79-F91 HydrophobicContact CE3-CZ 3.7Å; W79-F91 HydrophobicContact CZ3-CD1 4Å; W79-F91 AromaticContact CZ3-CE1 3.75Å; W79-F91 HydrophobicContact CZ3-CE1 3.75Å; W79-F91 HydrophobicContact CZ3-CZ 4.22Å; A82-F91 HydrophobicContact CB-CE2 4.14Å; A82-F91 HydrophobicContact CB-CZ 3.85Å; W89-F91 HydrophobicContact CD2-CB 4.48Å; W89-F91 AromaticContact CD2-CD2 3.93Å; W89-F91 HydrophobicContact CD2-CD2 3.93Å; W89-F91 AromaticContact CE2-CD2 3.81Å; W89-F91 HydrophobicContact CE3-CD2 4.04Å; W89-F91 AromaticContact CH2-CD2 3.87Å; W89-F91 HydrophobicContact CH2-CD2 3.87Å; W89-F91 HydrophobicContact CZ2-CB 3.75Å; W89-F91 AromaticContact CZ2-CD2 3.79Å; W89-F91 HydrophobicContact CZ2-CD2 3.79Å; W89-F91 HydrophobicContact CZ2-CG 4.21Å; W89-F91 HydrophobicContact CZ3-CD2 4.01Å; F91-A93 PolarHBondContact O-N 3.31Å; F91-F94 HydrophobicContact CB-CB 4.07Å; F91-F94 HydrophobicContact CB-CD1 4.22Å; F91-F94 VanDerWaalsContact O-CB 3.29Å; F91-F94 WeakPolarHBondContact O-CB 3.38Å; F91-F94 PolarHBondContact O-N 2.92Å
92G83.1Confident84.9Confident47 Ų4745.8 Ų45.849%0.48528%0.276SS..THydrogen-bonded Turntrans50.4-131.4176.600000113.4W89 P90 F94 C95W89-G92 PolarHBondContact NE1-O 3.45Å; P90-G92 VanDerWaalsContact C-N 3.34Å; P90-G92 PolarHBondContact O-N 3.47Å; G92-F94 PolarHBondContact O-N 2.86Å; G92-C95 PolarHBondContact O-N 2.95Å; G92-C95 VanDerWaalsContact O-N 3.14Å
93A80.3Confident84.8Confident90 Ų9045.4 Ų45.474%0.74427%0.27SS*.THydrogen-bonded Turntrans-60.6-12.4-175.500000115.3F91 C95F91-A93 PolarHBondContact O-N 3.31Å; A93-C95 PolarHBondContact O-N 3.38Å; A93-C95 VanDerWaalsContact O-N 3.13Å
94F85.3Confident85.2Confident67 Ų6745.7 Ų45.729%0.29427%0.27SS..Hα-helixtrans-61.4-16.8173.1-173.9-115.4000112.8W79 W89 F91 G92 N96 V97 W98W79-F94 AromaticContact CD2-CE1 3.83Å; W79-F94 HydrophobicContact CD2-CE1 3.83Å; W79-F94 AromaticContact CE2-CE1 3.91Å; W79-F94 HydrophobicContact CE3-CE1 4.28Å; W79-F94 HydrophobicContact CG-CE1 4.01Å; W79-F94 HydrophobicContact CZ2-CE1 4.44Å; W89-F94 HydrophobicContact CH2-CD1 4.22Å; W89-F94 HydrophobicContact CZ2-CB 4.39Å; W89-F94 AromaticContact CZ2-CD1 3.81Å; W89-F94 HydrophobicContact CZ2-CD1 3.81Å; F91-F94 HydrophobicContact CB-CB 4.07Å; F91-F94 HydrophobicContact CB-CD1 4.22Å; F91-F94 VanDerWaalsContact O-CB 3.29Å; F91-F94 WeakPolarHBondContact O-CB 3.38Å; F91-F94 PolarHBondContact O-N 2.92Å; G92-F94 PolarHBondContact O-N 2.86Å; F94-N96 PolarHBondContact O-N 3.27Å; F94-V97 HydrophobicContact CD2-CB 3.98Å; F94-V97 HydrophobicContact CD2-CG1 4.15Å; F94-V97 HydrophobicContact CE2-CB 4.05Å; F94-V97 HydrophobicContact CE2-CG1 3.73Å; F94-V97 PolarHBondContact O-N 3Å; F94-V97 VanDerWaalsContact O-N 3.13Å; F94-W98 HydrophobicContact CD1-CB 4.22Å; F94-W98 HydrophobicContact CE1-CB 3.99Å; F94-W98 PolarHBondContact O-N 3.4Å
95C83.4Confident85.6Confident27 Ų2743.7 Ų43.718%0.18226%0.261CS..Hα-helixtrans-49.7-50.6178.2176.50000113.3W89 G92 A93 V97 W98 V99 C182W89-C95 HydrophobicContact CZ2-CB 4.21Å; G92-C95 PolarHBondContact O-N 2.95Å; G92-C95 VanDerWaalsContact O-N 3.14Å; A93-C95 PolarHBondContact O-N 3.38Å; A93-C95 VanDerWaalsContact O-N 3.13Å; C95-V97 VanDerWaalsContact C-N 3.29Å; C95-V97 PolarHBondContact O-N 2.88Å; C95-W98 PolarHBondContact O-N 3.32Å; C95-V99 WeakPolarHBondContact O-CG2 3.22Å; C95-V99 PolarHBondContact O-N 3.3Å; C95-C182 WeakPolarHBondContact CA-SG 3.43Å; C95-C182 HydrophobicContact CB-CB 3.83Å; C95-C182 WeakPolarHBondContact CB-SG 3.34Å; C95-C182 VanDerWaalsContact SG-CA 3.55Å; C95-C182 WeakPolarHBondContact SG-CB 3.49Å; C95-C182 CovalentContact SG-SG 2.03Å; C95-C182 PolarHBondContact SG-SG 2.91Å
96N80.6Confident85.8Confident50 Ų5040.5 Ų40.527%0.26725%0.246SC..Hα-helixtrans-62.9-39.1-177.9-57.9-50.8000111.7F94 V99 A100 V158F94-N96 PolarHBondContact O-N 3.27Å; N96-V99 PolarHBondContact O-N 2.86Å; N96-A100 PolarHBondContact O-N 3.37Å; N96-V158 HydrophobicContact CB-CG1 4.21Å; N96-V158 WeakPolarHBondContact O-CG1 3.25Å
97V85.6Confident86.1Confident63 Ų6337.8 Ų37.838%0.38223%0.229SC..Hα-helixtrans-67.9-43178.9176.80000110.3F94 C95 A100 F101F94-V97 HydrophobicContact CD2-CB 3.98Å; F94-V97 HydrophobicContact CD2-CG1 4.15Å; F94-V97 HydrophobicContact CE2-CB 4.05Å; F94-V97 HydrophobicContact CE2-CG1 3.73Å; F94-V97 PolarHBondContact O-N 3Å; F94-V97 VanDerWaalsContact O-N 3.13Å; C95-V97 VanDerWaalsContact C-N 3.29Å; C95-V97 PolarHBondContact O-N 2.88Å; V97-A100 PolarHBondContact O-N 2.85Å; V97-F101 HydrophobicContact CG1-CD2 3.72Å; V97-F101 HydrophobicContact CG1-CE2 3.48Å; V97-F101 VanDerWaalsContact CG1-CE2 3.48Å; V97-F101 WeakPolarHBondContact O-CD2 3.29Å; V97-F101 PolarHBondContact O-N 3.44Å
98W88.9Confident86.9Confident10 Ų1035.7 Ų35.74%0.03821%0.207CC..Hα-helixtrans-60.9-46.4175175.981.7000111.8V76 W79 K80 W89 F94 C95 A100 F101 D102V76-W98 HydrophobicContact CG1-CZ2 3.98Å; V76-W98 PolarHBondContact O-NE1 3.5Å; W79-W98 AromaticContact CD1-CD1 3.74Å; W79-W98 AromaticContact CG-CD1 3.95Å; K80-W98 HydrophobicContact CB-CH2 4.23Å; K80-W98 HydrophobicContact CB-CZ2 3.56Å; K80-W98 HydrophobicContact CD-CH2 4.26Å; K80-W98 HydrophobicContact CD-CZ2 4.47Å; K80-W98 HydrophobicContact CG-CH2 4.26Å; K80-W98 HydrophobicContact CG-CZ2 4.05Å; W89-W98 HydrophobicContact CH2-CB 3.67Å; W89-W98 AromaticContact CH2-CD2 3.85Å; W89-W98 HydrophobicContact CH2-CD2 3.85Å; W89-W98 HydrophobicContact CH2-CE3 4.24Å; W89-W98 AromaticContact CH2-CG 3.54Å; W89-W98 HydrophobicContact CH2-CG 3.54Å; W89-W98 HydrophobicContact CZ2-CB 4.1Å; W89-W98 HydrophobicContact CZ2-CG 4.44Å; W89-W98 HydrophobicContact CZ3-CD2 4.05Å; W89-W98 HydrophobicContact CZ3-CE3 4.25Å; W89-W98 HydrophobicContact CZ3-CG 4.2Å; F94-W98 HydrophobicContact CD1-CB 4.22Å; F94-W98 HydrophobicContact CE1-CB 3.99Å; F94-W98 PolarHBondContact O-N 3.4Å; C95-W98 PolarHBondContact O-N 3.32Å; W98-A100 VanDerWaalsContact C-N 3.31Å; W98-A100 PolarHBondContact O-N 3.38Å; W98-F101 PolarHBondContact O-N 3.33Å; W98-F101 VanDerWaalsContact O-N 3.11Å; W98-D102 HydrophobicContact CZ2-CB 4.37Å; W98-D102 PolarHBondContact O-N 2.87Å
99V84.5Confident87.5Confident9 Ų930.7 Ų30.76%0.05519%0.185CC..Hα-helixtrans-58.3-42.8175.9171.80000111.2C95 N96 F101 D102 I103 V158C95-V99 WeakPolarHBondContact O-CG2 3.22Å; C95-V99 PolarHBondContact O-N 3.3Å; N96-V99 PolarHBondContact O-N 2.86Å; V99-F101 PolarHBondContact O-N 3.06Å; V99-D102 PolarHBondContact O-N 2.67Å; V99-I103 HydrophobicContact CG1-CD1 3.79Å; V99-I103 HydrophobicContact CG1-CG1 4.43Å; V99-I103 VanDerWaalsContact O-CG1 3.31Å; V99-I103 WeakPolarHBondContact O-CG1 3.45Å; V99-I103 PolarHBondContact O-N 3.31Å; V99-V158 HydrophobicContact CG1-CG2 4.48Å
100A88.5Confident87.9Confident1 Ų130 Ų301%0.00818%0.183CC..Hα-helixtrans-61-44.5175.400000112N96 V97 W98 M104 S154 F155 V158N96-A100 PolarHBondContact O-N 3.37Å; V97-A100 PolarHBondContact O-N 2.85Å; W98-A100 VanDerWaalsContact C-N 3.31Å; W98-A100 PolarHBondContact O-N 3.38Å; A100-M104 WeakPolarHBondContact O-CB 3.41Å; A100-M104 PolarHBondContact O-N 2.99Å; A100-S154 WeakPolarHBondContact O-CB 3.17Å; A100-F155 HydrophobicContact CB-CD1 4.29Å; A100-F155 HydrophobicContact CB-CE1 4.14Å; A100-F155 HydrophobicContact CB-CE2 4.38Å; A100-F155 HydrophobicContact CB-CG 4.5Å; A100-F155 HydrophobicContact CB-CZ 4.19Å; A100-V158 HydrophobicContact CB-CB 4.15Å; A100-V158 HydrophobicContact CB-CG1 4.07Å; A100-V158 HydrophobicContact CB-CG2 4.06Å
101F91.3Very high88.4Confident53 Ų5328 Ų2823%0.23217%0.169CC..Hα-helixtrans-65.9-39.5177.5-79.7-59.8000112.8L75 V97 W98 V99 M104 C105 F155L75-F101 HydrophobicContact CB-CB 4.48Å; L75-F101 HydrophobicContact CD1-CD1 3.83Å; L75-F101 HydrophobicContact CD1-CE1 4Å; L75-F101 HydrophobicContact CD1-CG 4.37Å; V97-F101 HydrophobicContact CG1-CD2 3.72Å; V97-F101 HydrophobicContact CG1-CE2 3.48Å; V97-F101 VanDerWaalsContact CG1-CE2 3.48Å; V97-F101 WeakPolarHBondContact O-CD2 3.29Å; V97-F101 PolarHBondContact O-N 3.44Å; W98-F101 PolarHBondContact O-N 3.33Å; W98-F101 VanDerWaalsContact O-N 3.11Å; V99-F101 PolarHBondContact O-N 3.06Å; F101-M104 HydrophobicContact CD1-CE 3.83Å; F101-M104 HydrophobicContact CE1-CE 4.23Å; F101-M104 PolarHBondContact O-N 2.83Å; F101-C105 VanDerWaalsContact O-CB 3.31Å; F101-C105 WeakPolarHBondContact O-CB 3.28Å; F101-C105 PolarHBondContact O-N 3.36Å; F101-C105 PolarHBondContact O-SG 3.43Å; F101-F155 HydrophobicContact CD1-CZ 4.25Å; F101-F155 AromaticContact CE1-CZ 3.97Å; F101-F155 HydrophobicContact CE1-CZ 3.97Å; F101-F155 HydrophobicContact CZ-CZ 4.24Å
102D89.1Confident88.7Confident28 Ų2824.8 Ų24.815%0.1516%0.155CC..Hα-helixtrans-60-53.4176-177.124.5000111V76 W98 V99 M104 C105 S106V76-D102 HydrophobicContact CG1-CB 3.78Å; V76-D102 WeakPolarHBondContact CG1-OD1 3.43Å; V76-D102 HydrophobicContact CG2-CB 4.22Å; W98-D102 HydrophobicContact CZ2-CB 4.37Å; W98-D102 PolarHBondContact O-N 2.87Å; V99-D102 PolarHBondContact O-N 2.67Å; D102-M104 VanDerWaalsContact C-N 3.33Å; D102-M104 PolarHBondContact O-N 3.02Å; D102-C105 PolarHBondContact O-N 2.82Å; D102-S106 WeakPolarHBondContact O-CB 3.47Å; D102-S106 PolarHBondContact O-N 3.17Å; D102-S106 PolarHBondContact O-OG 3.29Å; D102-S106 PolarHBondContact OD1-OG 2.96Å
103I87.8Confident89Confident26 Ų2622.7 Ų22.713%0.13313%0.132CC..Hα-helixtrans-61-44.1178.4-62.4172.6000110.3V99 T107 Y190V99-I103 HydrophobicContact CG1-CD1 3.79Å; V99-I103 HydrophobicContact CG1-CG1 4.43Å; V99-I103 VanDerWaalsContact O-CG1 3.31Å; V99-I103 WeakPolarHBondContact O-CG1 3.45Å; V99-I103 PolarHBondContact O-N 3.31Å; I103-T107 WeakPolarHBondContact O-CB 3.49Å; I103-T107 PolarHBondContact O-N 2.95Å; I103-T107 PolarHBondContact O-OG1 3Å; I103-Y190 HydrophobicContact CD1-CE1 4.23Å; I103-Y190 WeakPolarHBondContact CD1-OH 3.41Å
104M93.1Very high89.6Confident15 Ų1518.9 Ų18.97%0.07410%0.1CC..Hα-helixtrans-61.6-53.5-179.9-173.3-165.36800111.7A100 F101 D102 T107 A108 V151 S154 F155A100-M104 WeakPolarHBondContact O-CB 3.41Å; A100-M104 PolarHBondContact O-N 2.99Å; F101-M104 HydrophobicContact CD1-CE 3.83Å; F101-M104 HydrophobicContact CE1-CE 4.23Å; F101-M104 PolarHBondContact O-N 2.83Å; D102-M104 VanDerWaalsContact C-N 3.33Å; D102-M104 PolarHBondContact O-N 3.02Å; M104-T107 PolarHBondContact O-N 3.05Å; M104-A108 VanDerWaalsContact O-CB 3.29Å; M104-A108 WeakPolarHBondContact O-CB 3.35Å; M104-A108 PolarHBondContact O-N 3.21Å; M104-V151 HydrophobicContact CG-CG2 4.18Å; M104-V151 HydrophobicContact SD-CG2 3.73Å; M104-S154 VanDerWaalsContact CB-OG 3.28Å; M104-S154 WeakPolarHBondContact CB-OG 3.2Å; M104-F155 HydrophobicContact CB-CE2 4.26Å; M104-F155 HydrophobicContact CG-CE2 4.33Å; M104-F155 HydrophobicContact SD-CD2 4.38Å; M104-F155 HydrophobicContact SD-CE2 3.64Å
105C93.3Very high90Very high0 Ų016.7 Ų16.70%09%0.092CC..Hα-helixtrans-67.9-41.1-173.2-62.10000110.9L71 V72 V76 F101 D102 A108 S109L71-C105 HydrophobicContact CB-CB 4.48Å; V72-C105 HydrophobicContact CB-CB 4.47Å; V72-C105 HydrophobicContact CG2-CB 3.53Å; V76-C105 HydrophobicContact CG2-CB 4.35Å; F101-C105 VanDerWaalsContact O-CB 3.31Å; F101-C105 WeakPolarHBondContact O-CB 3.28Å; F101-C105 PolarHBondContact O-N 3.36Å; F101-C105 PolarHBondContact O-SG 3.43Å; D102-C105 PolarHBondContact O-N 2.82Å; C105-A108 PolarHBondContact O-N 3.28Å; C105-S109 PolarHBondContact O-N 3Å
106S89.8Confident90.4Very high10 Ų1016.3 Ų16.37%0.079%0.088CC..Hα-helixtrans-62.8-47.1175-63.40000111.3D102 A108 S109 I110 W278D102-S106 WeakPolarHBondContact O-CB 3.47Å; D102-S106 PolarHBondContact O-N 3.17Å; D102-S106 PolarHBondContact O-OG 3.29Å; D102-S106 PolarHBondContact OD1-OG 2.96Å; S106-A108 VanDerWaalsContact C-N 3.34Å; S106-A108 PolarHBondContact O-N 3.26Å; S106-S109 PolarHBondContact O-N 2.98Å; S106-I110 VanDerWaalsContact O-CG1 3.3Å; S106-I110 WeakPolarHBondContact O-CG1 3.48Å; S106-I110 PolarHBondContact O-N 2.68Å; S106-I110 VanDerWaalsContact O-N 3.08Å; S106-W278 WeakPolarHBondContact OG-CH2 3.28Å
107T92.2Very high90.8Very high4 Ų413.9 Ų13.93%0.0258%0.075CC..Hα-helixtrans-62.9-40.2176.4-56.20000111.7I103 M104 I110 L111 I153 S198I103-T107 WeakPolarHBondContact O-CB 3.49Å; I103-T107 PolarHBondContact O-N 2.95Å; I103-T107 PolarHBondContact O-OG1 3Å; M104-T107 PolarHBondContact O-N 3.05Å; T107-I110 PolarHBondContact O-N 2.98Å; T107-L111 HydrophobicContact CG2-CD1 3.94Å; T107-L111 HydrophobicContact CG2-CG 4.19Å; T107-L111 WeakPolarHBondContact O-CB 3.44Å; T107-L111 WeakPolarHBondContact O-CG 3.25Å; T107-L111 PolarHBondContact O-N 2.92Å; T107-I153 HydrophobicContact CG2-CD1 4.39Å; T107-S198 PolarHBondContact OG1-OG 3.06Å
108A95Very high91Very high0 Ų013.2 Ų13.20%07%0.071CC..Hα-helixtrans-62.5-43177.300000111.5M104 C105 S106 L111 N112 W147 S150M104-A108 VanDerWaalsContact O-CB 3.29Å; M104-A108 WeakPolarHBondContact O-CB 3.35Å; M104-A108 PolarHBondContact O-N 3.21Å; C105-A108 PolarHBondContact O-N 3.28Å; S106-A108 VanDerWaalsContact C-N 3.34Å; S106-A108 PolarHBondContact O-N 3.26Å; A108-L111 PolarHBondContact O-N 3.02Å; A108-N112 WeakPolarHBondContact O-CB 3.2Å; A108-N112 PolarHBondContact O-N 3.28Å; A108-N112 PolarHBondContact O-ND2 3.2Å; A108-W147 HydrophobicContact CB-CE3 4.28Å; A108-W147 HydrophobicContact CB-CZ3 4.24Å; A108-S150 WeakPolarHBondContact CA-OG 3.15Å; A108-S150 PolarHBondContact N-OG 3.31Å; A108-S150 VanDerWaalsContact N-OG 3.12Å
109S92.6Very high91.1Very high0 Ų012.8 Ų12.80%07%0.07CC..Hα-helixtrans-61.8-45.7176.7-171.30000111.3L65 S68 D69 C105 S106 N112 L113L65-S109 VanDerWaalsContact CD1-O 3.28Å; L65-S109 WeakPolarHBondContact CD1-O 3.49Å; L65-S109 WeakPolarHBondContact CD1-OG 3.27Å; S68-S109 WeakPolarHBondContact OG-CA 3.35Å; D69-S109 PolarHBondContact OD1-OG 2.95Å; C105-S109 PolarHBondContact O-N 3Å; S106-S109 PolarHBondContact O-N 2.98Å; S109-N112 PolarHBondContact O-N 3.27Å; S109-L113 PolarHBondContact O-N 2.99Å
110I91.8Very high91.3Very high0 Ų014.9 Ų14.90%08%0.076CC..Hα-helixtrans-61.8-47.8177.2-62.3165.2000111.9S106 T107 N112 L113 C114 S198 F199 P202 F274 F282S106-I110 VanDerWaalsContact O-CG1 3.3Å; S106-I110 WeakPolarHBondContact O-CG1 3.48Å; S106-I110 PolarHBondContact O-N 2.68Å; S106-I110 VanDerWaalsContact O-N 3.08Å; T107-I110 PolarHBondContact O-N 2.98Å; I110-N112 VanDerWaalsContact C-N 3.34Å; I110-N112 PolarHBondContact O-N 2.93Å; I110-L113 WeakPolarHBondContact O-CB 3.44Å; I110-L113 PolarHBondContact O-N 2.98Å; I110-C114 PolarHBondContact O-N 3.24Å; I110-S198 VanDerWaalsContact CG2-O 3.23Å; I110-S198 WeakPolarHBondContact CG2-O 3.25Å; I110-F199 HydrophobicContact CD1-CB 4.5Å; I110-F199 HydrophobicContact CD1-CD2 4.24Å; I110-P202 HydrophobicContact CG2-CB 3.69Å; I110-P202 HydrophobicContact CG2-CG 4.11Å; I110-F274 HydrophobicContact CB-CE2 4.35Å; I110-F274 HydrophobicContact CB-CZ 4.09Å; I110-F274 HydrophobicContact CG1-CE2 3.75Å; I110-F274 HydrophobicContact CG1-CZ 3.73Å; I110-F274 HydrophobicContact CG2-CE2 4.41Å; I110-F274 HydrophobicContact CG2-CZ 3.68Å; I110-F282 HydrophobicContact CD1-CE2 3.9Å; I110-F282 HydrophobicContact CD1-CZ 3.96Å
111L93.6Very high91.2Very high21 Ų2117.5 Ų17.511%0.119%0.087CC..Hα-helixtrans-66.5-36-179.6-70.5-179.4000112T107 A108 C114 V115 A146 L149 P202T107-L111 HydrophobicContact CG2-CD1 3.94Å; T107-L111 HydrophobicContact CG2-CG 4.19Å; T107-L111 WeakPolarHBondContact O-CB 3.44Å; T107-L111 WeakPolarHBondContact O-CG 3.25Å; T107-L111 PolarHBondContact O-N 2.92Å; A108-L111 PolarHBondContact O-N 3.02Å; L111-C114 WeakPolarHBondContact O-CB 3.29Å; L111-C114 PolarHBondContact O-N 2.93Å; L111-V115 WeakPolarHBondContact O-CB 3.45Å; L111-V115 WeakPolarHBondContact O-CG2 3.1Å; L111-V115 PolarHBondContact O-N 3.28Å; L111-A146 HydrophobicContact CB-CB 3.89Å; L111-A146 WeakPolarHBondContact CD1-O 3.32Å; L111-L149 HydrophobicContact CD1-CB 3.78Å; L111-P202 HydrophobicContact CD2-CB 4.45Å; L111-P202 HydrophobicContact CD2-CG 3.68Å
112N93.8Very high91.2Very high0 Ų018.5 Ų18.50%09%0.089CC..Hα-helixtrans-64.5-39.8173.2-82.9-73.9000111.8S64 L65 A108 S109 I110 V115 I116S64-N112 VanDerWaalsContact CB-OD1 3.25Å; S64-N112 WeakPolarHBondContact CB-OD1 3.37Å; S64-N112 PolarHBondContact OG-OD1 2.95Å; L65-N112 HydrophobicContact CB-CB 4.16Å; L65-N112 HydrophobicContact CD1-CB 3.77Å; A108-N112 WeakPolarHBondContact O-CB 3.2Å; A108-N112 PolarHBondContact O-N 3.28Å; A108-N112 PolarHBondContact O-ND2 3.2Å; S109-N112 PolarHBondContact O-N 3.27Å; I110-N112 VanDerWaalsContact C-N 3.34Å; I110-N112 PolarHBondContact O-N 2.93Å; N112-V115 PolarHBondContact O-N 3.07Å; N112-I116 VanDerWaalsContact O-CG1 3.28Å; N112-I116 WeakPolarHBondContact O-CG1 3.28Å; N112-I116 PolarHBondContact O-N 2.9Å
113L89.6Confident91.1Very high2 Ų217.9 Ų17.91%0.019%0.088CC..Hα-helixtrans-62.9-41.1172.4-74.8171.2000112.3L65 S109 I110 I116 S117 M206 I270 F274L65-L113 HydrophobicContact CD1-CD2 4.38Å; L65-L113 HydrophobicContact CD1-CG 3.92Å; L65-L113 HydrophobicContact CD2-CD2 3.65Å; L65-L113 HydrophobicContact CD2-CG 4.12Å; S109-L113 PolarHBondContact O-N 2.99Å; I110-L113 WeakPolarHBondContact O-CB 3.44Å; I110-L113 PolarHBondContact O-N 2.98Å; L113-I116 PolarHBondContact O-N 3.31Å; L113-S117 PolarHBondContact O-N 3.31Å; L113-S117 PolarHBondContact O-OG 3.46Å; L113-M206 HydrophobicContact CB-CE 4.04Å; L113-I270 HydrophobicContact CD2-CG2 4.22Å; L113-F274 HydrophobicContact CD1-CB 4.36Å; L113-F274 HydrophobicContact CD1-CD2 3.21Å; L113-F274 HydrophobicContact CD1-CE2 3.59Å; L113-F274 HydrophobicContact CD1-CG 3.86Å; L113-F274 HydrophobicContact CD1-CZ 4.5Å
114C92.4Very high90.8Very high11 Ų1118.5 Ų18.57%0.0749%0.091CC..Hα-helixtrans-61.5-44.7173.9-175.60000111.6I110 L111 I116 S117 V118 P202 M206I110-C114 PolarHBondContact O-N 3.24Å; L111-C114 WeakPolarHBondContact O-CB 3.29Å; L111-C114 PolarHBondContact O-N 2.93Å; C114-I116 PolarHBondContact O-N 3.46Å; C114-S117 WeakPolarHBondContact O-CA 3.49Å; C114-S117 WeakPolarHBondContact O-CB 3.28Å; C114-S117 PolarHBondContact O-N 3.05Å; C114-S117 PolarHBondContact O-OG 3.48Å; C114-V118 WeakPolarHBondContact O-CG2 3.31Å; C114-V118 PolarHBondContact O-N 3.09Å; C114-P202 HydrophobicContact CB-CB 4.07Å; C114-M206 HydrophobicContact CB-CG 4.13Å; C114-M206 HydrophobicContact CB-SD 4.13Å
115V93.6Very high90.3Very high21 Ų2119.4 Ų19.413%0.12710%0.099CC..Hα-helixtrans-59.7-44.6175.1163.10000111.6F61 L111 N112 S117 V118 D119 M142 A146F61-V115 HydrophobicContact CD1-CG1 3.35Å; F61-V115 HydrophobicContact CE1-CG1 3.31Å; F61-V115 HydrophobicContact CG-CG1 4.07Å; F61-V115 HydrophobicContact CZ-CG1 3.98Å; L111-V115 WeakPolarHBondContact O-CB 3.45Å; L111-V115 WeakPolarHBondContact O-CG2 3.1Å; L111-V115 PolarHBondContact O-N 3.28Å; N112-V115 PolarHBondContact O-N 3.07Å; V115-S117 PolarHBondContact O-N 3.09Å; V115-V118 PolarHBondContact O-N 3.12Å; V115-D119 WeakPolarHBondContact O-CB 3.16Å; V115-D119 PolarHBondContact O-N 3.35Å; V115-M142 HydrophobicContact CG1-CB 4.16Å; V115-M142 HydrophobicContact CG1-CE 3.87Å; V115-A146 HydrophobicContact CG2-CB 4.33Å
116I90.9Very high89.9Confident18 Ų1821.4 Ų21.49%0.09211%0.113CC..Hα-helixtrans-57.3-41.4174.1-69.4164.7000110.2F61 L65 N112 L113 C114 D119 R120F61-I116 HydrophobicContact CB-CD1 4.29Å; F61-I116 HydrophobicContact CB-CG1 3.61Å; F61-I116 HydrophobicContact CG-CG1 4.46Å; L65-I116 HydrophobicContact CB-CD1 4.44Å; L65-I116 HydrophobicContact CD2-CD1 4.13Å; N112-I116 VanDerWaalsContact O-CG1 3.28Å; N112-I116 WeakPolarHBondContact O-CG1 3.28Å; N112-I116 PolarHBondContact O-N 2.9Å; L113-I116 PolarHBondContact O-N 3.31Å; C114-I116 PolarHBondContact O-N 3.46Å; I116-D119 PolarHBondContact O-N 2.92Å; I116-R120 HydrophobicContact CG2-CG 4.25Å; I116-R120 WeakPolarHBondContact O-CB 3.22Å; I116-R120 VanDerWaalsContact O-CG 3.23Å; I116-R120 WeakPolarHBondContact O-CG 3.36Å; I116-R120 PolarHBondContact O-N 3.01Å
117S88.6Confident89.7Confident0 Ų024.3 Ų24.30%013%0.131CC..Hα-helixtrans-60.1-49.1178.1-47.30000112.9L113 C114 V115 D119 R120 Y121 M206 M271L113-S117 PolarHBondContact O-N 3.31Å; L113-S117 PolarHBondContact O-OG 3.46Å; C114-S117 WeakPolarHBondContact O-CA 3.49Å; C114-S117 WeakPolarHBondContact O-CB 3.28Å; C114-S117 PolarHBondContact O-N 3.05Å; C114-S117 PolarHBondContact O-OG 3.48Å; V115-S117 PolarHBondContact O-N 3.09Å; S117-D119 VanDerWaalsContact C-N 3.35Å; S117-R120 PolarHBondContact O-N 3.15Å; S117-Y121 WeakPolarHBondContact O-CB 3.25Å; S117-Y121 PolarHBondContact O-N 3.11Å; S117-M206 WeakPolarHBondContact OG-CG 3.33Å; S117-M271 WeakPolarHBondContact OG-CE 3.35Å
118V91.1Very high89.4Confident48 Ų4832.4 Ų32.429%0.29117%0.167SC..Hα-helixtrans-64.3-43.5179.8172.60000110.2C114 V115 Y121 W122 M142 I205 T209C114-V118 WeakPolarHBondContact O-CG2 3.31Å; C114-V118 PolarHBondContact O-N 3.09Å; V115-V118 PolarHBondContact O-N 3.12Å; V118-Y121 PolarHBondContact O-N 3.07Å; V118-W122 WeakPolarHBondContact O-CB 3.35Å; V118-W122 PolarHBondContact O-N 2.76Å; V118-M142 HydrophobicContact CG1-CE 4.3Å; V118-I205 HydrophobicContact CG2-CG2 3.91Å; V118-T209 HydrophobicContact CG2-CG2 4.43Å
119D91.5Very high89.1Confident2 Ų240.1 Ų40.11%0.01120%0.196CC..Hα-helixtrans-59-48.2175.1167.175.7000111.9F61 V115 I116 S117 Y121 W122 A123 Y130 M134F61-D119 HydrophobicContact CD2-CB 4.23Å; F61-D119 HydrophobicContact CE2-CB 3.81Å; V115-D119 WeakPolarHBondContact O-CB 3.16Å; V115-D119 PolarHBondContact O-N 3.35Å; I116-D119 PolarHBondContact O-N 2.92Å; S117-D119 VanDerWaalsContact C-N 3.35Å; D119-Y121 VanDerWaalsContact C-N 3.35Å; D119-Y121 PolarHBondContact O-N 3.17Å; D119-W122 PolarHBondContact O-N 3.12Å; D119-A123 WeakPolarHBondContact O-CB 3.48Å; D119-A123 PolarHBondContact O-N 3.35Å; D119-Y130 WeakPolarHBondContact OD1-CE2 3.43Å; D119-Y130 VanDerWaalsContact OD1-CZ 3.3Å; D119-Y130 PolarHBondContact OD1-OH 3.31Å; D119-M134 WeakPolarHBondContact OD1-CE 3.5Å
120R87.9Confident89Confident52 Ų5241.5 Ų41.520%0.19620%0.201CC..Hα-helixtrans-62.9-41.8176.4-66.8-58.583.4-151.1-12.6111.6I116 S117 W122 A123 I124 Y130 I213 L267I116-R120 HydrophobicContact CG2-CG 4.25Å; I116-R120 WeakPolarHBondContact O-CB 3.22Å; I116-R120 VanDerWaalsContact O-CG 3.23Å; I116-R120 WeakPolarHBondContact O-CG 3.36Å; I116-R120 PolarHBondContact O-N 3.01Å; S117-R120 PolarHBondContact O-N 3.15Å; R120-W122 VanDerWaalsContact C-N 3.35Å; R120-W122 PolarHBondContact O-N 2.91Å; R120-A123 PolarHBondContact O-N 3.24Å; R120-I124 WeakPolarHBondContact O-CB 3.47Å; R120-I124 WeakPolarHBondContact O-CD1 3.37Å; R120-I124 VanDerWaalsContact O-CG1 3.28Å; R120-I124 WeakPolarHBondContact O-CG1 2.75Å; R120-I124 PolarHBondContact O-N 3.46Å; R120-Y130 PolarHBondContact NH2-OH 3.09Å; R120-Y130 VanDerWaalsContact NH2-OH 3.15Å; R120-I213 HydrophobicContact CB-CD1 4.42Å; R120-L267 HydrophobicContact CB-CD1 4.2Å; R120-L267 HydrophobicContact CG-CD1 3.96Å; R120-L267 HydrophobicContact CG-CD2 3.92Å
121Y87.3Confident88.8Confident57 Ų5748.9 Ų48.922%0.22424%0.236CC..Hα-helixtrans-60.4-45.6175.7172.3-117.9000111.5S117 V118 D119 I124 S125 T209 R212 I213 I216S117-Y121 WeakPolarHBondContact O-CB 3.25Å; S117-Y121 PolarHBondContact O-N 3.11Å; V118-Y121 PolarHBondContact O-N 3.07Å; D119-Y121 VanDerWaalsContact C-N 3.35Å; D119-Y121 PolarHBondContact O-N 3.17Å; Y121-I124 PolarHBondContact O-N 3Å; Y121-S125 WeakPolarHBondContact O-CB 3.15Å; Y121-S125 PolarHBondContact O-N 3.13Å; Y121-S125 PolarHBondContact O-OG 2.65Å; Y121-T209 HydrophobicContact CD1-CG2 4.12Å; Y121-T209 HydrophobicContact CG-CG2 4.21Å; Y121-R212 HydrophobicContact CD2-CB 4.24Å; Y121-R212 HydrophobicContact CE2-CB 3.62Å; Y121-I213 HydrophobicContact CD2-CG1 3.76Å; Y121-I213 HydrophobicContact CG-CG1 4.37Å; Y121-I216 HydrophobicContact CE2-CD1 4.02Å
122W90.4Very high88.6Confident73 Ų7356.8 Ų56.828%0.27726%0.264SS..Hα-helixtrans-63.1-45.6178.9-168.91.2000111.5V118 D119 R120 I124 S125 S126 Y130 K133V118-W122 WeakPolarHBondContact O-CB 3.35Å; V118-W122 PolarHBondContact O-N 2.76Å; D119-W122 PolarHBondContact O-N 3.12Å; R120-W122 VanDerWaalsContact C-N 3.35Å; R120-W122 PolarHBondContact O-N 2.91Å; W122-I124 VanDerWaalsContact C-N 3.32Å; W122-I124 PolarHBondContact O-N 2.69Å; W122-S125 PolarHBondContact O-OG 2.74Å; W122-S126 PolarHBondContact O-N 2.94Å; W122-Y130 HydrophobicContact CB-CD2 3.98Å; W122-Y130 HydrophobicContact CD2-CD2 4.03Å; W122-Y130 HydrophobicContact CE3-CD2 4.46Å; W122-Y130 AromaticContact CG-CD2 3.81Å; W122-Y130 HydrophobicContact CG-CD2 3.81Å; W122-K133 HydrophobicContact CH2-CB 4.04Å; W122-K133 HydrophobicContact CH2-CD 4.49Å; W122-K133 HydrophobicContact CZ2-CB 3.77Å; W122-K133 HydrophobicContact CZ2-CD 3.93Å; W122-K133 HydrophobicContact CZ2-CG 4.45Å
123A86.4Confident88.5Confident16 Ų1662.8 Ų62.813%0.13229%0.29CS..Hα-helixtrans-58.9-40.5177.800000113.1D119 R120 P127 Y130D119-A123 WeakPolarHBondContact O-CB 3.48Å; D119-A123 PolarHBondContact O-N 3.35Å; R120-A123 PolarHBondContact O-N 3.24Å; A123-P127 WeakPolarHBondContact O-CA 3.44Å; A123-Y130 HydrophobicContact CB-CD1 3.82Å; A123-Y130 HydrophobicContact CB-CD2 3.93Å; A123-Y130 HydrophobicContact CB-CE1 3.84Å; A123-Y130 HydrophobicContact CB-CE2 3.93Å; A123-Y130 HydrophobicContact CB-CG 3.86Å
124I82.6Confident88.6Confident38 Ų3863.4 Ų63.420%0.19529%0.293CS..Hα-helixtrans-82.8-39.7-176.3-64.4163.5000111.8R120 Y121 W122 I213 I216 L264 L267R120-I124 WeakPolarHBondContact O-CB 3.47Å; R120-I124 WeakPolarHBondContact O-CD1 3.37Å; R120-I124 VanDerWaalsContact O-CG1 3.28Å; R120-I124 WeakPolarHBondContact O-CG1 2.75Å; R120-I124 PolarHBondContact O-N 3.46Å; Y121-I124 PolarHBondContact O-N 3Å; W122-I124 VanDerWaalsContact C-N 3.32Å; W122-I124 PolarHBondContact O-N 2.69Å; I124-I213 HydrophobicContact CD1-CD1 4.32Å; I124-I213 HydrophobicContact CD1-CG1 4.38Å; I124-I213 HydrophobicContact CD1-CG2 3.71Å; I124-I213 HydrophobicContact CG2-CG2 4.37Å; I124-I216 HydrophobicContact CG2-CG2 4.5Å; I124-L264 HydrophobicContact CD1-CD2 3.79Å; I124-L267 HydrophobicContact CD1-CD1 4.48Å
125S82.4Confident88.6Confident35 Ų3565.6 Ų65.625%0.24531%0.306CS..Hα-helixtrans-75-26.2-177.861.50000113.1Y121 W122Y121-S125 WeakPolarHBondContact O-CB 3.15Å; Y121-S125 PolarHBondContact O-N 3.13Å; Y121-S125 PolarHBondContact O-OG 2.65Å; W122-S125 PolarHBondContact O-OG 2.74Å
126S84.8Confident88.5Confident42 Ų4268.3 Ų68.329%0.29432%0.324SS..  trans-151.172.5-176.5-68.80000111.9W122 F128 R129 Y130W122-S126 PolarHBondContact O-N 2.94Å; S126-F128 PolarHBondContact O-N 3.41Å; S126-R129 PolarHBondContact O-N 3.22Å; S126-Y130 WeakPolarHBondContact O-CB 3.45Å; S126-Y130 PolarHBondContact O-N 3.35Å
127P84.2Confident88.7Confident70 Ų7075.5 Ų75.546%0.45536%0.355SS..Hα-helixtrans-58.1-49.1-170.620.5-32.6000113.7A123 R129 Y130 E131A123-P127 WeakPolarHBondContact O-CA 3.44Å; P127-R129 PolarHBondContact O-N 3.2Å; P127-Y130 PolarHBondContact O-N 3.42Å; P127-E131 PolarHBondContact O-N 3.43Å
128F87.4Confident89Confident175 Ų17577.5 Ų77.577%0.76837%0.367SS*.Hα-helixtrans-67.5-34.8-179.5-58.4-64.2000113.4S126 R132S126-F128 PolarHBondContact O-N 3.41Å; F128-R132 PolarHBondContact O-N 2.98Å
129R88.4Confident89.2Confident161 Ų16175.3 Ų75.361%0.60835%0.354SS*.Hα-helixtrans-72.4-37.9176.1-70.6-177.6164.1-173.3-3.6110.9S126 P127 K133S126-R129 PolarHBondContact O-N 3.22Å; P127-R129 PolarHBondContact O-N 3.2Å; R129-K133 VanDerWaalsContact O-CB 3.29Å; R129-K133 WeakPolarHBondContact O-CB 3.13Å; R129-K133 WeakPolarHBondContact O-CG 3.12Å; R129-K133 PolarHBondContact O-N 3.12Å
130Y90.1Very high89.3Confident30 Ų3081.9 Ų81.912%0.11838%0.382CS..Hα-helixtrans-62.5-51.5176.1177.8-94.4000110.7T58 D119 R120 W122 A123 S126 P127 R132 K133 M134T58-Y130 WeakPolarHBondContact CG2-OH 3.49Å; D119-Y130 WeakPolarHBondContact OD1-CE2 3.43Å; D119-Y130 VanDerWaalsContact OD1-CZ 3.3Å; D119-Y130 PolarHBondContact OD1-OH 3.31Å; R120-Y130 PolarHBondContact NH2-OH 3.09Å; R120-Y130 VanDerWaalsContact NH2-OH 3.15Å; W122-Y130 HydrophobicContact CB-CD2 3.98Å; W122-Y130 HydrophobicContact CD2-CD2 4.03Å; W122-Y130 HydrophobicContact CE3-CD2 4.46Å; W122-Y130 AromaticContact CG-CD2 3.81Å; W122-Y130 HydrophobicContact CG-CD2 3.81Å; A123-Y130 HydrophobicContact CB-CD1 3.82Å; A123-Y130 HydrophobicContact CB-CD2 3.93Å; A123-Y130 HydrophobicContact CB-CE1 3.84Å; A123-Y130 HydrophobicContact CB-CE2 3.93Å; A123-Y130 HydrophobicContact CB-CG 3.86Å; S126-Y130 WeakPolarHBondContact O-CB 3.45Å; S126-Y130 PolarHBondContact O-N 3.35Å; P127-Y130 PolarHBondContact O-N 3.42Å; Y130-R132 PolarHBondContact O-N 3.3Å; Y130-K133 PolarHBondContact O-N 3.14Å; Y130-M134 HydrophobicContact CD1-CB 4.28Å; Y130-M134 HydrophobicContact CD2-CB 3.96Å; Y130-M134 HydrophobicContact CD2-CG 4.32Å; Y130-M134 HydrophobicContact CE1-CB 4.1Å; Y130-M134 HydrophobicContact CE1-CG 4.2Å; Y130-M134 HydrophobicContact CE2-CB 3.78Å; Y130-M134 HydrophobicContact CE2-CE 4.45Å; Y130-M134 HydrophobicContact CE2-CG 3.64Å; Y130-M134 HydrophobicContact CE2-SD 4.05Å; Y130-M134 HydrophobicContact CG-CB 4.22Å; Y130-M134 WeakPolarHBondContact O-CA 3.22Å; Y130-M134 WeakPolarHBondContact O-CB 3.28Å; Y130-M134 PolarHBondContact O-N 3.42Å
131E88.1Confident89.7Confident155 Ų15584.4 Ų84.472%0.72440%0.399SS*.Hα-helixtrans-58.3-37-179.9-170.8173.2-168.700112.6P127P127-E131 PolarHBondContact O-N 3.43Å
132R89.4Confident90.1Very high187 Ų18783.4 Ų83.471%0.70640%0.397SS*.Hα-helixtrans-77.2-35178-172.1173.264.6-169.22.2114.2F128 Y130F128-R132 PolarHBondContact O-N 2.98Å; Y130-R132 PolarHBondContact O-N 3.3Å
133K90.8Very high90.5Very high125 Ų12581 Ų8154%0.54339%0.389SS..Hα-helixtrans-97.5-29-173.3-73-166.5168-166.50113.8W122 R129 Y130 T135W122-K133 HydrophobicContact CH2-CB 4.04Å; W122-K133 HydrophobicContact CH2-CD 4.49Å; W122-K133 HydrophobicContact CZ2-CB 3.77Å; W122-K133 HydrophobicContact CZ2-CD 3.93Å; W122-K133 HydrophobicContact CZ2-CG 4.45Å; R129-K133 VanDerWaalsContact O-CB 3.29Å; R129-K133 WeakPolarHBondContact O-CB 3.13Å; R129-K133 WeakPolarHBondContact O-CG 3.12Å; R129-K133 PolarHBondContact O-N 3.12Å; Y130-K133 PolarHBondContact O-N 3.14Å; K133-T135 PolarHBondContact O-N 2.88Å
134M91.7Very high91Very high15 Ų1582.1 Ų82.17%0.07440%0.396CS..  trans-77.397.5-175.6-169.464.6169.400110.2V57 F61 D119 Y130 V138 A139V57-M134 HydrophobicContact CG1-CE 3.97Å; V57-M134 HydrophobicContact CG1-CG 4.09Å; F61-M134 HydrophobicContact CE2-CE 3.25Å; F61-M134 HydrophobicContact CZ-CE 3.37Å; D119-M134 WeakPolarHBondContact OD1-CE 3.5Å; Y130-M134 HydrophobicContact CD1-CB 4.28Å; Y130-M134 HydrophobicContact CD2-CB 3.96Å; Y130-M134 HydrophobicContact CD2-CG 4.32Å; Y130-M134 HydrophobicContact CE1-CB 4.1Å; Y130-M134 HydrophobicContact CE1-CG 4.2Å; Y130-M134 HydrophobicContact CE2-CB 3.78Å; Y130-M134 HydrophobicContact CE2-CE 4.45Å; Y130-M134 HydrophobicContact CE2-CG 3.64Å; Y130-M134 HydrophobicContact CE2-SD 4.05Å; Y130-M134 HydrophobicContact CG-CB 4.22Å; Y130-M134 WeakPolarHBondContact O-CA 3.22Å; Y130-M134 WeakPolarHBondContact O-CB 3.28Å; Y130-M134 PolarHBondContact O-N 3.42Å; M134-V138 HydrophobicContact SD-CG1 4.1Å; M134-A139 HydrophobicContact CE-CB 4.14Å
135T93.5Very high91.6Very high57 Ų5784 Ų8435%0.3541%0.409SS..  trans-111.5161.317863.80000110.6K133 K137 V138 A139K133-T135 PolarHBondContact O-N 2.88Å; T135-K137 PolarHBondContact O-N 2.86Å; T135-K137 VanDerWaalsContact O-N 3.15Å; T135-V138 PolarHBondContact O-N 3.38Å; T135-V138 PolarHBondContact OG1-N 3.36Å; T135-A139 PolarHBondContact O-N 2.98Å; T135-A139 VanDerWaalsContact O-N 3.08Å
136P91.8Very high92.2Very high78 Ų7882.6 Ų82.651%0.50640%0.399SS..Hα-helixtrans-54-32.8173.3-26.834.9000113.4V57 A139 F140V57-P136 HydrophobicContact CG2-CG 4.28Å; P136-A139 PolarHBondContact O-N 3.43Å; P136-F140 WeakPolarHBondContact O-CB 3.03Å; P136-F140 PolarHBondContact O-N 3.28Å
137K94Very high92.8Very high169 Ų16983.2 Ų83.274%0.73540%0.395SS*.Hα-helixtrans-63.5-45.7175.9-66.2-177.5178.7178.90111.8T135 F140 I141T135-K137 PolarHBondContact O-N 2.86Å; T135-K137 VanDerWaalsContact O-N 3.15Å; K137-F140 PolarHBondContact O-N 3.46Å; K137-I141 VanDerWaalsContact O-CG1 3.32Å; K137-I141 WeakPolarHBondContact O-CG1 3.27Å; K137-I141 PolarHBondContact O-N 3.03Å
138V95Very high93.3Very high43 Ų4383.6 Ų83.626%0.26140%0.396SS..Hα-helixtrans-63.3-44177.3174.50000110.6M134 T135 F140 I141 M142M134-V138 HydrophobicContact SD-CG1 4.1Å; T135-V138 PolarHBondContact O-N 3.38Å; T135-V138 PolarHBondContact OG1-N 3.36Å; V138-F140 VanDerWaalsContact C-N 3.34Å; V138-F140 PolarHBondContact O-N 2.94Å; V138-I141 PolarHBondContact O-N 3.23Å; V138-M142 HydrophobicContact CG1-SD 4.22Å; V138-M142 WeakPolarHBondContact O-CG 3.36Å; V138-M142 PolarHBondContact O-N 3.38Å
139A94.7Very high93.6Very high1 Ų178.8 Ų78.81%0.00838%0.378CS..Hα-helixtrans-59.1-45176.100000112.1V57 F61 M134 T135 P136 I141 M142 I143V57-A139 HydrophobicContact CG1-CB 3.61Å; F61-A139 HydrophobicContact CE1-CB 4.08Å; F61-A139 HydrophobicContact CE2-CB 4.41Å; F61-A139 HydrophobicContact CZ-CB 3.78Å; M134-A139 HydrophobicContact CE-CB 4.14Å; T135-A139 PolarHBondContact O-N 2.98Å; T135-A139 VanDerWaalsContact O-N 3.08Å; P136-A139 PolarHBondContact O-N 3.43Å; A139-I141 VanDerWaalsContact C-N 3.35Å; A139-I141 PolarHBondContact O-N 2.83Å; A139-M142 PolarHBondContact O-N 3.08Å; A139-I143 VanDerWaalsContact O-CG1 3.31Å; A139-I143 WeakPolarHBondContact O-CG1 3.32Å; A139-I143 PolarHBondContact O-N 3.37Å
140F95.4Very high93.9Very high140 Ų14071.1 Ų71.161%0.61435%0.349SS*.Hα-helixtrans-62.9-39.1177.6-173.1-96.4000112.6P136 K137 V138 I143 S144P136-F140 WeakPolarHBondContact O-CB 3.03Å; P136-F140 PolarHBondContact O-N 3.28Å; K137-F140 PolarHBondContact O-N 3.46Å; V138-F140 VanDerWaalsContact C-N 3.34Å; V138-F140 PolarHBondContact O-N 2.94Å; F140-I143 PolarHBondContact O-N 3.42Å; F140-S144 WeakPolarHBondContact CE1-OG 3.36Å; F140-S144 VanDerWaalsContact O-CB 3.31Å; F140-S144 WeakPolarHBondContact O-CB 3.3Å; F140-S144 PolarHBondContact O-N 3.12Å; F140-S144 PolarHBondContact O-OG 3.06Å
141I96.3Very high94.1Very high105 Ų10572.6 Ų72.654%0.53836%0.361SS..Hα-helixtrans-62.1-49.1174.4-68.5164.8000110.4K137 V138 A139 I143 S144 V145K137-I141 VanDerWaalsContact O-CG1 3.32Å; K137-I141 WeakPolarHBondContact O-CG1 3.27Å; K137-I141 PolarHBondContact O-N 3.03Å; V138-I141 PolarHBondContact O-N 3.23Å; A139-I141 VanDerWaalsContact C-N 3.35Å; A139-I141 PolarHBondContact O-N 2.83Å; I141-I143 VanDerWaalsContact C-N 3.33Å; I141-I143 PolarHBondContact O-N 3.37Å; I141-S144 PolarHBondContact O-N 3.18Å; I141-V145 HydrophobicContact CG2-CG2 4.4Å; I141-V145 VanDerWaalsContact O-CG2 3.3Å; I141-V145 WeakPolarHBondContact O-CG2 3.35Å; I141-V145 PolarHBondContact O-N 2.62Å
142M95.5Very high94.2Very high37 Ų3769.3 Ų69.318%0.18235%0.348CS..Hα-helixtrans-59.5-43179.1-68.9175.777.600112.1F61 V115 V118 V138 A139 A146F61-M142 HydrophobicContact CE1-CB 3.99Å; F61-M142 HydrophobicContact CE1-SD 4.37Å; F61-M142 HydrophobicContact CZ-CB 4.43Å; F61-M142 HydrophobicContact CZ-CE 4.46Å; F61-M142 HydrophobicContact CZ-SD 3.9Å; V115-M142 HydrophobicContact CG1-CB 4.16Å; V115-M142 HydrophobicContact CG1-CE 3.87Å; V118-M142 HydrophobicContact CG1-CE 4.3Å; V138-M142 HydrophobicContact CG1-SD 4.22Å; V138-M142 WeakPolarHBondContact O-CG 3.36Å; V138-M142 PolarHBondContact O-N 3.38Å; A139-M142 PolarHBondContact O-N 3.08Å; M142-A146 PolarHBondContact O-N 3.46Å; M142-A146 VanDerWaalsContact O-N 3.1Å
143I97.3Very high94Very high22 Ų2261.6 Ų61.611%0.11332%0.321CS..Hα-helixtrans-61.7-50.6174.7-71.1165.7000110F60 F61 S64 A139 F140 I141 V145 A146 W147F60-I143 HydrophobicContact CB-CD1 4.19Å; F61-I143 HydrophobicContact CD1-CD1 3.87Å; F61-I143 HydrophobicContact CD1-CG1 3.62Å; F61-I143 HydrophobicContact CE1-CD1 4.2Å; F61-I143 HydrophobicContact CE1-CG1 3.86Å; S64-I143 WeakPolarHBondContact OG-CG2 3.27Å; A139-I143 VanDerWaalsContact O-CG1 3.31Å; A139-I143 WeakPolarHBondContact O-CG1 3.32Å; A139-I143 PolarHBondContact O-N 3.37Å; F140-I143 PolarHBondContact O-N 3.42Å; I141-I143 VanDerWaalsContact C-N 3.33Å; I141-I143 PolarHBondContact O-N 3.37Å; I143-V145 VanDerWaalsContact C-N 3.28Å; I143-V145 PolarHBondContact O-N 3.43Å; I143-A146 WeakPolarHBondContact O-CB 3.38Å; I143-A146 PolarHBondContact O-N 3.49Å; I143-W147 VanDerWaalsContact CG2-CD1 3.49Å; I143-W147 PolarHBondContact O-N 3.28Å
144S96.8Very high93.9Very high39 Ų3955.7 Ų55.727%0.27330%0.295SS..Hα-helixtrans-59.1-40.2-178.4-59.10000112F140 I141 T148F140-S144 WeakPolarHBondContact CE1-OG 3.36Å; F140-S144 VanDerWaalsContact O-CB 3.31Å; F140-S144 WeakPolarHBondContact O-CB 3.3Å; F140-S144 PolarHBondContact O-N 3.12Å; F140-S144 PolarHBondContact O-OG 3.06Å; I141-S144 PolarHBondContact O-N 3.18Å; S144-T148 VanDerWaalsContact O-CB 3.27Å; S144-T148 WeakPolarHBondContact O-CB 3.36Å; S144-T148 PolarHBondContact O-N 2.88Å; S144-T148 PolarHBondContact O-OG1 2.73Å
145V95.8Very high93.7Very high78 Ų7857.6 Ų57.647%0.47330%0.303SS..Hα-helixtrans-60.5-49.2173.9169.50000110.3I141 I143 W147 T148 L149I141-V145 HydrophobicContact CG2-CG2 4.4Å; I141-V145 VanDerWaalsContact O-CG2 3.3Å; I141-V145 WeakPolarHBondContact O-CG2 3.35Å; I141-V145 PolarHBondContact O-N 2.62Å; I143-V145 VanDerWaalsContact C-N 3.28Å; I143-V145 PolarHBondContact O-N 3.43Å; V145-W147 PolarHBondContact O-N 2.9Å; V145-T148 PolarHBondContact O-N 2.94Å; V145-L149 HydrophobicContact CG1-CD1 3.6Å; V145-L149 WeakPolarHBondContact O-CD1 3.35Å; V145-L149 PolarHBondContact O-N 3.39Å
146A95.6Very high93.3Very high5 Ų558.9 Ų58.94%0.04131%0.307CS..Hα-helixtrans-56.3-51.4178.200000112L111 V115 M142 I143 T148 L149 S150L111-A146 HydrophobicContact CB-CB 3.89Å; L111-A146 WeakPolarHBondContact CD1-O 3.32Å; V115-A146 HydrophobicContact CG2-CB 4.33Å; M142-A146 PolarHBondContact O-N 3.46Å; M142-A146 VanDerWaalsContact O-N 3.1Å; I143-A146 WeakPolarHBondContact O-CB 3.38Å; I143-A146 PolarHBondContact O-N 3.49Å; A146-T148 PolarHBondContact O-N 3.43Å; A146-L149 PolarHBondContact O-N 3.44Å; A146-S150 PolarHBondContact O-N 3.05Å; A146-S150 PolarHBondContact O-OG 3.19Å
147W97.4Very high92.8Very high56 Ų5656 Ų5621%0.21229%0.288CS..Hα-helixtrans-62.7-42.5178.8-76.694.7000112.9S64 I67 L71 A108 I143 V145 S150 V151S64-W147 PolarHBondContact OG-NE1 3.29Å; I67-W147 HydrophobicContact CB-CZ2 4.47Å; I67-W147 HydrophobicContact CG2-CH2 4.05Å; I67-W147 HydrophobicContact CG2-CZ2 4.05Å; L71-W147 HydrophobicContact CD1-CH2 3.64Å; L71-W147 HydrophobicContact CD1-CZ3 3.73Å; A108-W147 HydrophobicContact CB-CE3 4.28Å; A108-W147 HydrophobicContact CB-CZ3 4.24Å; I143-W147 VanDerWaalsContact CG2-CD1 3.49Å; I143-W147 PolarHBondContact O-N 3.28Å; V145-W147 PolarHBondContact O-N 2.9Å; W147-S150 PolarHBondContact O-N 2.98Å; W147-V151 WeakPolarHBondContact O-CG2 3.5Å; W147-V151 PolarHBondContact O-N 3.42Å
148T95.4Very high91.9Very high77 Ų7748.1 Ų48.147%0.47225%0.254SS..Hα-helixtrans-62.7-45.9179.3-55.90000110.4S144 V145 A146 S150 V151 L152S144-T148 VanDerWaalsContact O-CB 3.27Å; S144-T148 WeakPolarHBondContact O-CB 3.36Å; S144-T148 PolarHBondContact O-N 2.88Å; S144-T148 PolarHBondContact O-OG1 2.73Å; V145-T148 PolarHBondContact O-N 2.94Å; A146-T148 PolarHBondContact O-N 3.43Å; T148-S150 VanDerWaalsContact C-N 3.34Å; T148-S150 PolarHBondContact O-N 2.83Å; T148-V151 PolarHBondContact O-N 3.45Å; T148-L152 HydrophobicContact CG2-CD1 3.86Å; T148-L152 HydrophobicContact CG2-CG 4.3Å; T148-L152 WeakPolarHBondContact O-CB 3.39Å; T148-L152 WeakPolarHBondContact O-CG 3.27Å; T148-L152 PolarHBondContact O-N 3.47Å
149L92.8Very high91Very high74 Ų7452.7 Ų52.739%0.38727%0.273SS..Hα-helixtrans-59.7-44.5175.4-90.681.3000111.4L111 V145 A146 V151 L152 I153L111-L149 HydrophobicContact CD1-CB 3.78Å; V145-L149 HydrophobicContact CG1-CD1 3.6Å; V145-L149 WeakPolarHBondContact O-CD1 3.35Å; V145-L149 PolarHBondContact O-N 3.39Å; A146-L149 PolarHBondContact O-N 3.44Å; L149-V151 PolarHBondContact O-N 2.88Å; L149-L152 PolarHBondContact O-N 3.41Å; L149-I153 HydrophobicContact CB-CD1 4.39Å; L149-I153 WeakPolarHBondContact O-CB 3.35Å; L149-I153 VanDerWaalsContact O-CD1 3.32Å; L149-I153 WeakPolarHBondContact O-CD1 3.48Å; L149-I153 VanDerWaalsContact O-CG1 3.22Å; L149-I153 WeakPolarHBondContact O-CG1 3.45Å; L149-I153 PolarHBondContact O-N 3.28Å
150S94.9Very high90.1Very high0 Ų057 Ų570%030%0.295CS..Hα-helixtrans-59.2-44.5178-55.50000112.8A108 A146 W147 T148 S154A108-S150 WeakPolarHBondContact CA-OG 3.15Å; A108-S150 PolarHBondContact N-OG 3.31Å; A108-S150 VanDerWaalsContact N-OG 3.12Å; A146-S150 PolarHBondContact O-N 3.05Å; A146-S150 PolarHBondContact O-OG 3.19Å; W147-S150 PolarHBondContact O-N 2.98Å; T148-S150 VanDerWaalsContact C-N 3.34Å; T148-S150 PolarHBondContact O-N 2.83Å; S150-S154 WeakPolarHBondContact O-CB 3.49Å; S150-S154 PolarHBondContact O-N 3.47Å; S150-S154 PolarHBondContact O-OG 3.07Å
151V93.7Very high88.9Confident61 Ų6154.4 Ų54.437%0.3729%0.288SS..Hα-helixtrans-65.1-44.1177.5172.10000111M104 W147 T148 L149 S154 F155M104-V151 HydrophobicContact CG-CG2 4.18Å; M104-V151 HydrophobicContact SD-CG2 3.73Å; W147-V151 WeakPolarHBondContact O-CG2 3.5Å; W147-V151 PolarHBondContact O-N 3.42Å; T148-V151 PolarHBondContact O-N 3.45Å; L149-V151 PolarHBondContact O-N 2.88Å; V151-S154 WeakPolarHBondContact CA-OG 3.22Å; V151-S154 PolarHBondContact O-N 3.47Å; V151-S154 PolarHBondContact O-OG 3.3Å; V151-S154 VanDerWaalsContact O-OG 3.06Å; V151-F155 HydrophobicContact CG1-CD2 4.12Å; V151-F155 WeakPolarHBondContact O-CB 3.42Å; V151-F155 PolarHBondContact O-N 3.15Å
152L90.5Very high87.6Confident87 Ų8757.8 Ų57.846%0.45529%0.294SS..Hα-helixtrans-64.2-43.7-178.9-68.8171.8000111.9T148 L149 S154 I156T148-L152 HydrophobicContact CG2-CD1 3.86Å; T148-L152 HydrophobicContact CG2-CG 4.3Å; T148-L152 WeakPolarHBondContact O-CB 3.39Å; T148-L152 WeakPolarHBondContact O-CG 3.27Å; T148-L152 PolarHBondContact O-N 3.47Å; L149-L152 PolarHBondContact O-N 3.41Å; L152-S154 VanDerWaalsContact C-N 3.29Å; L152-S154 PolarHBondContact O-N 2.9Å; L152-I156 HydrophobicContact CB-CD1 4.14Å; L152-I156 HydrophobicContact CD2-CD1 3.52Å; L152-I156 HydrophobicContact CD2-CG1 4.42Å; L152-I156 HydrophobicContact CG-CD1 4.43Å; L152-I156 VanDerWaalsContact O-CB 3.32Å; L152-I156 WeakPolarHBondContact O-CB 3.29Å; L152-I156 WeakPolarHBondContact O-CG1 3.49Å; L152-I156 PolarHBondContact O-N 3.33Å
153I86.4Confident86.2Confident25 Ų2556.6 Ų56.613%0.12829%0.288CS..Hα-helixtrans-70.9-26.8-178.4-62.8158.8000112.1T107 L149 P157 Y190 I197 S198T107-I153 HydrophobicContact CG2-CD1 4.39Å; L149-I153 HydrophobicContact CB-CD1 4.39Å; L149-I153 WeakPolarHBondContact O-CB 3.35Å; L149-I153 VanDerWaalsContact O-CD1 3.32Å; L149-I153 WeakPolarHBondContact O-CD1 3.48Å; L149-I153 VanDerWaalsContact O-CG1 3.22Å; L149-I153 WeakPolarHBondContact O-CG1 3.45Å; L149-I153 PolarHBondContact O-N 3.28Å; I153-P157 VanDerWaalsContact O-CD 3.27Å; I153-P157 WeakPolarHBondContact O-CD 3.34Å; I153-P157 WeakPolarHBondContact O-CG 3.48Å; I153-Y190 PolarHBondContact O-OH 2.85Å; I153-I197 HydrophobicContact CD1-CB 4.36Å; I153-I197 HydrophobicContact CD1-CG2 3.39Å; I153-I197 HydrophobicContact CG1-CG2 4.11Å; I153-S198 WeakPolarHBondContact CG2-OG 3.37Å
154S88.4Confident84.6Confident0 Ų060.4 Ų60.40%030%0.304CS..Hα-helixtrans-90-59.8-179.551.70000112.8A100 M104 S150 V151 L152 P157 V158A100-S154 WeakPolarHBondContact O-CB 3.17Å; M104-S154 VanDerWaalsContact CB-OG 3.28Å; M104-S154 WeakPolarHBondContact CB-OG 3.2Å; S150-S154 WeakPolarHBondContact O-CB 3.49Å; S150-S154 PolarHBondContact O-N 3.47Å; S150-S154 PolarHBondContact O-OG 3.07Å; V151-S154 WeakPolarHBondContact CA-OG 3.22Å; V151-S154 PolarHBondContact O-N 3.47Å; V151-S154 PolarHBondContact O-OG 3.3Å; V151-S154 VanDerWaalsContact O-OG 3.06Å; L152-S154 VanDerWaalsContact C-N 3.29Å; L152-S154 PolarHBondContact O-N 2.9Å; S154-P157 WeakPolarHBondContact O-CD 3.26Å; S154-V158 VanDerWaalsContact O-CG2 3.22Å; S154-V158 WeakPolarHBondContact O-CG2 3.32Å; S154-V158 PolarHBondContact O-N 3.32Å
155F86.9Confident82.8Confident56 Ų5660.7 Ų60.725%0.24631%0.308CS..Hα-helixtrans-74-37-170.4-80.7-95.9000113.2A100 F101 M104 V151 V158 Q159A100-F155 HydrophobicContact CB-CD1 4.29Å; A100-F155 HydrophobicContact CB-CE1 4.14Å; A100-F155 HydrophobicContact CB-CE2 4.38Å; A100-F155 HydrophobicContact CB-CG 4.5Å; A100-F155 HydrophobicContact CB-CZ 4.19Å; F101-F155 HydrophobicContact CD1-CZ 4.25Å; F101-F155 AromaticContact CE1-CZ 3.97Å; F101-F155 HydrophobicContact CE1-CZ 3.97Å; F101-F155 HydrophobicContact CZ-CZ 4.24Å; M104-F155 HydrophobicContact CB-CE2 4.26Å; M104-F155 HydrophobicContact CG-CE2 4.33Å; M104-F155 HydrophobicContact SD-CD2 4.38Å; M104-F155 HydrophobicContact SD-CE2 3.64Å; V151-F155 HydrophobicContact CG1-CD2 4.12Å; V151-F155 WeakPolarHBondContact O-CB 3.42Å; V151-F155 PolarHBondContact O-N 3.15Å; F155-V158 PolarHBondContact O-N 3.44Å; F155-Q159 WeakPolarHBondContact O-CB 3.26Å; F155-Q159 WeakPolarHBondContact O-CG 3.34Å; F155-Q159 PolarHBondContact O-N 2.93Å
156I85.6Confident80.7Confident84 Ų8461.6 Ų61.643%0.43132%0.324SS..Hα-helixtrans-61.1-52.4-178-64174.3000111.1L152 V158 Q159 L160L152-I156 HydrophobicContact CB-CD1 4.14Å; L152-I156 HydrophobicContact CD2-CD1 3.52Å; L152-I156 HydrophobicContact CD2-CG1 4.42Å; L152-I156 HydrophobicContact CG-CD1 4.43Å; L152-I156 VanDerWaalsContact O-CB 3.32Å; L152-I156 WeakPolarHBondContact O-CB 3.29Å; L152-I156 WeakPolarHBondContact O-CG1 3.49Å; L152-I156 PolarHBondContact O-N 3.33Å; I156-V158 VanDerWaalsContact C-N 3.29Å; I156-V158 PolarHBondContact O-N 3.05Å; I156-Q159 PolarHBondContact O-N 3.37Å; I156-L160 HydrophobicContact CG2-CD1 3.67Å; I156-L160 HydrophobicContact CG2-CG 4.41Å; I156-L160 WeakPolarHBondContact O-CB 3.37Å; I156-L160 VanDerWaalsContact O-CG 3.27Å; I156-L160 WeakPolarHBondContact O-CG 3.36Å; I156-L160 PolarHBondContact O-N 3.08Å
157P79.7Confident78.5Confident17 Ų1767.4 Ų67.411%0.1136%0.358CS..Hα-helixtrans-70.5-26.8-177.4-22.939.6000113.2I153 S154 N161 W162 H163 Y190I153-P157 VanDerWaalsContact O-CD 3.27Å; I153-P157 WeakPolarHBondContact O-CD 3.34Å; I153-P157 WeakPolarHBondContact O-CG 3.48Å; S154-P157 WeakPolarHBondContact O-CD 3.26Å; P157-N161 PolarHBondContact O-N 2.99Å; P157-W162 PolarHBondContact O-N 3.4Å; P157-H163 PolarHBondContact O-N 3.44Å; P157-H163 PolarHBondContact O-ND1 3.45Å; P157-Y190 HydrophobicContact CB-CD2 3.72Å; P157-Y190 HydrophobicContact CB-CE2 3.16Å; P157-Y190 HydrophobicContact CG-CD2 4.28Å; P157-Y190 HydrophobicContact CG-CE2 3.52Å
158V75.3Confident75.9Confident4 Ų472 Ų722%0.02439%0.386CS..Hα-helixtrans-72-49.3175.51750000111.2N96 V99 A100 S154 F155 I156 L160 N161 H163N96-V158 HydrophobicContact CB-CG1 4.21Å; N96-V158 WeakPolarHBondContact O-CG1 3.25Å; V99-V158 HydrophobicContact CG1-CG2 4.48Å; A100-V158 HydrophobicContact CB-CB 4.15Å; A100-V158 HydrophobicContact CB-CG1 4.07Å; A100-V158 HydrophobicContact CB-CG2 4.06Å; S154-V158 VanDerWaalsContact O-CG2 3.22Å; S154-V158 WeakPolarHBondContact O-CG2 3.32Å; S154-V158 PolarHBondContact O-N 3.32Å; F155-V158 PolarHBondContact O-N 3.44Å; I156-V158 VanDerWaalsContact C-N 3.29Å; I156-V158 PolarHBondContact O-N 3.05Å; V158-L160 VanDerWaalsContact C-N 3.31Å; V158-L160 PolarHBondContact O-N 3.31Å; V158-N161 PolarHBondContact O-N 2.74Å; V158-H163 WeakPolarHBondContact CA-ND1 3.47Å
159Q76.3Confident73.3Confident139 Ų13977.5 Ų77.565%0.6541%0.407SS*.Hα-helixtrans-68.8-29.6-178.7-62.8-68.146.700113F155 I156 N161F155-Q159 WeakPolarHBondContact O-CB 3.26Å; F155-Q159 WeakPolarHBondContact O-CG 3.34Å; F155-Q159 PolarHBondContact O-N 2.93Å; I156-Q159 PolarHBondContact O-N 3.37Å; Q159-N161 PolarHBondContact O-N 3.05Å
160L75.4Confident71Confident91 Ų9181.2 Ų81.248%0.47643%0.426SS..THydrogen-bonded Turntrans-81.62.3172.7-63.3177.3000113.2I156 V158 W162I156-L160 HydrophobicContact CG2-CD1 3.67Å; I156-L160 HydrophobicContact CG2-CG 4.41Å; I156-L160 WeakPolarHBondContact O-CB 3.37Å; I156-L160 VanDerWaalsContact O-CG 3.27Å; I156-L160 WeakPolarHBondContact O-CG 3.36Å; I156-L160 PolarHBondContact O-N 3.08Å; V158-L160 VanDerWaalsContact C-N 3.31Å; V158-L160 PolarHBondContact O-N 3.31Å; L160-W162 HydrophobicContact CB-CD2 4.28Å; L160-W162 HydrophobicContact CB-CG 4.1Å; L160-W162 HydrophobicContact CD1-CD2 4.38Å; L160-W162 HydrophobicContact CD1-CE3 4.49Å; L160-W162 HydrophobicContact CD1-CH2 4.45Å; L160-W162 HydrophobicContact CD1-CZ2 4.33Å; L160-W162 VanDerWaalsContact O-CD1 3.28Å; L160-W162 PolarHBondContact O-N 3.05Å
161N70.8Confident68.3Low86 Ų8687.6 Ų87.646%0.4646%0.46SS..THydrogen-bonded Turntrans55.414.4-175-65.3-67.7000115P157 V158 Q159 H163 K164P157-N161 PolarHBondContact O-N 2.99Å; V158-N161 PolarHBondContact O-N 2.74Å; Q159-N161 PolarHBondContact O-N 3.05Å; N161-H163 PolarHBondContact O-N 3.06Å; N161-K164 PolarHBondContact O-N 3.46Å; N161-K164 VanDerWaalsContact O-N 3.15Å
162W68.3Low66Low175 Ų17588.8 Ų88.866%0.66349%0.485SS*.THydrogen-bonded Turntrans-66.6-18.8179.1-75.53000113.7P157 L160 K164P157-W162 PolarHBondContact O-N 3.4Å; L160-W162 HydrophobicContact CB-CD2 4.28Å; L160-W162 HydrophobicContact CB-CG 4.1Å; L160-W162 HydrophobicContact CD1-CD2 4.38Å; L160-W162 HydrophobicContact CD1-CE3 4.49Å; L160-W162 HydrophobicContact CD1-CH2 4.45Å; L160-W162 HydrophobicContact CD1-CZ2 4.33Å; L160-W162 VanDerWaalsContact O-CD1 3.28Å; L160-W162 PolarHBondContact O-N 3.05Å; W162-K164 VanDerWaalsContact C-N 3.3Å
163H66.3Low63.5Low12 Ų1290.8 Ų90.86%0.05650%0.501CS..THydrogen-bonded Turntrans-69.4-25.7174.772.6-77.1000112.7P157 V158 N161 L186 N187 Y190P157-H163 PolarHBondContact O-N 3.44Å; P157-H163 PolarHBondContact O-ND1 3.45Å; V158-H163 WeakPolarHBondContact CA-ND1 3.47Å; N161-H163 PolarHBondContact O-N 3.06Å; H163-L186 HydrophobicContact CB-CD2 3.93Å; H163-L186 CarbonylContact O-C 3.56Å; H163-L186 WeakPolarHBondContact O-CA 3.27Å; H163-N187 PolarHBondContact O-N 3.44Å; H163-Y190 HydrophobicContact CB-CD1 3.75Å; H163-Y190 HydrophobicContact CB-CE1 3.71Å; H163-Y190 HydrophobicContact CB-CG 4.34Å
164K64.2Low61.3Low103 Ų103101.2 Ų101.245%0.44854%0.54SS..BIsolated β-bridgetrans-76131.8-178.2-63.8-173.2177-175.60110.9N161 W162 A166N161-K164 PolarHBondContact O-N 3.46Å; N161-K164 VanDerWaalsContact O-N 3.15Å; W162-K164 VanDerWaalsContact C-N 3.3Å; K164-A166 PolarHBondContact O-N 2.91Å
165A59.2Low58.8Low45 Ų45104 Ų10437%0.37257%0.569SS.*  trans-61.2130.8166.800000109.3V167 S185A165-V167 PolarHBondContact O-N 3.37Å; A165-S185 PolarHBondContact N-O 3.38Å
166A51.3Low56.6Low96 Ų96110.9 Ų110.979%0.79360%0.602SS**  trans-66.497.8172.900000108.1K164 L168K164-A166 PolarHBondContact O-N 2.91Å; A166-L168 PolarHBondContact O-N 3.44Å; A166-L168 VanDerWaalsContact O-N 3.09Å
167V50.3Low54.7Low127 Ų127114.3 Ų114.377%0.7762%0.62SS**  trans-66.7108.4165.2-1770000104.8A165 E169A165-V167 PolarHBondContact O-N 3.37Å; V167-E169 PolarHBondContact O-N 3.41Å
168L43.1Very low53.1Low152 Ų152118.7 Ų118.780%0.79665%0.648SS**  trans-49.7115.1165.7-85.5160.1000106.8A166 L170A166-L168 PolarHBondContact O-N 3.44Å; A166-L168 VanDerWaalsContact O-N 3.09Å; L168-L170 PolarHBondContact O-N 3.5Å
169E40.3Very low51.8Low194 Ų194123.5 Ų123.591%0.90768%0.68SS**  trans-60.479.4167.6-70.1-174.9160.300108.5V167 N171V167-E169 PolarHBondContact O-N 3.41Å; E169-N171 PolarHBondContact O-N 2.97Å
170L43.3Very low50.8Low152 Ų152123 Ų12380%0.79668%0.682SS**  trans-83.292.5166.6-133.997.1000107L168L168-L170 PolarHBondContact O-N 3.5Å
171N40Very low50Low134 Ų134123 Ų12372%0.71768%0.682SS**  trans53.893.1159.5-68.7-16.4000117.8E169 T173E169-N171 PolarHBondContact O-N 2.97Å; N171-T173 VanDerWaalsContact C-N 3.31Å; N171-T173 PolarHBondContact O-N 3.48Å; N171-T173 PolarHBondContact O-OG1 3.23Å
172G44.3Very low49.8Very low86 Ų86119.2 Ų119.289%0.88766%0.663SS**  54.633110.700000118.9
173T38.1Very low49.3Very low128 Ų128114 Ų11479%0.78565%0.647SS**  trans-132.1113165.59.30000109N171 G175N171-T173 VanDerWaalsContact C-N 3.31Å; N171-T173 PolarHBondContact O-N 3.48Å; N171-T173 PolarHBondContact O-OG1 3.23Å; T173-G175 PolarHBondContact O-N 2.87Å
174Y41.4Very low48.7Very low245 Ų245115.8 Ų115.896%0.96166%0.662SS**  trans-62.777.1169-68.1-90.4000109.4
175G34.8Very low48.3Very low58 Ų58115.2 Ų115.260%0.59867%0.671SS**  trans-93.2116.7153.500000106.3T173 L177T173-G175 PolarHBondContact O-N 2.87Å; G175-L177 VanDerWaalsContact C-N 3.27Å; G175-L177 PolarHBondContact O-N 3.42Å
176E40.4Very low48.5Very low200 Ų200114 Ų11494%0.93566%0.657SS**  trans-53.697.5163.8-71.4-177.4156.100107.7
177L46.9Very low49.5Very low157 Ų157112.1 Ų112.182%0.82263%0.634SS**  trans-62.4139.8166.9-137.476000106.4G175G175-L177 VanDerWaalsContact C-N 3.27Å; G175-L177 PolarHBondContact O-N 3.42Å
178P45.3Very low50.7Low108 Ų108111.7 Ų111.770%0.70162%0.619SS**  trans-55.3142.5-178.4-18.129.5000109.7D180P178-D180 PolarHBondContact O-N 2.75Å
179P47.3Very low52.4Low106 Ų106109.3 Ų109.369%0.68861%0.61SS**  trans-63.6115.1-172.8-821.4000110.2
180D55.1Low54.3Low129 Ų129100.8 Ų100.869%0.6957%0.57SS**  trans38.386.3133.5-60.1-27.7000116.3W89 P178 C182W89-D180 WeakPolarHBondContact CB-O 3.36Å; P178-D180 PolarHBondContact O-N 2.75Å; D180-C182 PolarHBondContact O-N 3.47Å
181N59Low56.1Low89 Ų8993.6 Ų93.648%0.47653%0.532SS..  trans-65125.4142-79.90.2000106.4D183N181-D183 HydrophobicContact CB-CB 4.26Å; N181-D183 VanDerWaalsContact CB-OD2 3.31Å; N181-D183 WeakPolarHBondContact CB-OD2 3.32Å; N181-D183 PolarHBondContact ND2-OD2 2.91Å; N181-D183 PolarHBondContact O-N 2.88Å
182C67.6Low58.2Low8 Ų889.9 Ų89.95%0.05451%0.512CS..  trans-70.754.1168.2-1750000109.6W89 C95 D180W89-C182 HydrophobicContact CB-CB 3.71Å; W89-C182 HydrophobicContact CD2-CB 3.35Å; W89-C182 HydrophobicContact CE3-CB 3.51Å; W89-C182 HydrophobicContact CG-CB 3.45Å; W89-C182 VanDerWaalsContact CG-CB 3.45Å; W89-C182 HydrophobicContact CZ3-CB 4.28Å; C95-C182 WeakPolarHBondContact CA-SG 3.43Å; C95-C182 HydrophobicContact CB-CB 3.83Å; C95-C182 WeakPolarHBondContact CB-SG 3.34Å; C95-C182 VanDerWaalsContact SG-CA 3.55Å; C95-C182 WeakPolarHBondContact SG-CB 3.49Å; C95-C182 CovalentContact SG-SG 2.03Å; C95-C182 PolarHBondContact SG-SG 2.91Å; D180-C182 PolarHBondContact O-N 3.47Å
183D57.7Low60.1Low64 Ų6488.1 Ų88.134%0.34249%0.486SS..  trans-90.8130.7174.3-73.3-25.4000106.7K80 N181 S185K80-D183 IonicContact NZ-OD1 2.71Å; N181-D183 HydrophobicContact CB-CB 4.26Å; N181-D183 VanDerWaalsContact CB-OD2 3.31Å; N181-D183 WeakPolarHBondContact CB-OD2 3.32Å; N181-D183 PolarHBondContact ND2-OD2 2.91Å; N181-D183 PolarHBondContact O-N 2.88Å; D183-S185 PolarHBondContact O-N 3.44Å
184S54.1Low62.2Low51 Ų5182.7 Ų82.736%0.35745%0.453SS..  trans-66.174.3-179.2490000110L186S184-L186 WeakPolarHBondContact O-CG 3.39Å; S184-L186 PolarHBondContact O-N 2.94Å
185S54.9Low64.5Low91 Ų9171 Ų7164%0.63641%0.408SS*.  trans-70.168.3167.153.60000108.8A165 D183A165-S185 PolarHBondContact N-O 3.38Å; D183-S185 PolarHBondContact O-N 3.44Å
186L64.3Low67Low18 Ų1872.1 Ų72.19%0.09440%0.4CS..BIsolated β-bridgetrans-72.5135.6-174.7-63178.4000109.6H163 S184 R188 Y190 A191H163-L186 HydrophobicContact CB-CD2 3.93Å; H163-L186 CarbonylContact O-C 3.56Å; H163-L186 WeakPolarHBondContact O-CA 3.27Å; S184-L186 WeakPolarHBondContact O-CG 3.39Å; S184-L186 PolarHBondContact O-N 2.94Å; L186-R188 PolarHBondContact O-N 2.98Å; L186-Y190 HydrophobicContact CB-CD1 4.19Å; L186-Y190 HydrophobicContact CD1-CD1 4.21Å; L186-Y190 HydrophobicContact CD1-CE1 4.2Å; L186-Y190 HydrophobicContact CD2-CD1 3.75Å; L186-Y190 HydrophobicContact CD2-CE1 3.74Å; L186-Y190 HydrophobicContact CG-CD1 4.24Å; L186-Y190 HydrophobicContact CG-CE1 4.46Å; L186-A191 HydrophobicContact CB-CB 3.92Å; L186-A191 HydrophobicContact CD1-CB 4.44Å
187N71.4Confident69.2Low58 Ų5866.4 Ų66.431%0.3138%0.375SS..  trans-52.3134.3167.5-177.1-9.3000109.4H163 T189 Y190 A191H163-N187 PolarHBondContact O-N 3.44Å; N187-T189 PolarHBondContact O-N 2.83Å; N187-T189 VanDerWaalsContact O-N 3.14Å; N187-T189 PolarHBondContact OD1-N 3.27Å; N187-Y190 CarbonylContact O-C 3.58Å; N187-Y190 WeakPolarHBondContact O-CA 3.41Å; N187-Y190 WeakPolarHBondContact O-CB 3.43Å; N187-Y190 PolarHBondContact O-N 3.22Å; N187-A191 PolarHBondContact O-N 3Å
188R76.7Confident71.1Confident118 Ų11859 Ų5945%0.44534%0.336SS..Hα-helixtrans-45.2-48.5179.1-65.1173.6-177.5162.2-1.3111.9L186 Y190 A191 I192 P289 E292L186-R188 PolarHBondContact O-N 2.98Å; R188-Y190 VanDerWaalsContact C-N 3.34Å; R188-Y190 PolarHBondContact O-N 2.94Å; R188-A191 PolarHBondContact O-N 3.39Å; R188-I192 WeakPolarHBondContact O-CD1 3.29Å; R188-I192 VanDerWaalsContact O-CG1 3.22Å; R188-I192 WeakPolarHBondContact O-CG1 3.36Å; R188-I192 PolarHBondContact O-N 2.89Å; R188-I192 VanDerWaalsContact O-N 3.12Å; R188-P289 HydrophobicContact CB-CB 4.18Å; R188-P289 HydrophobicContact CG-CB 3.57Å; R188-P289 WeakPolarHBondContact CG-O 3.36Å; R188-P289 PolarHBondContact NE-O 3.45Å; R188-E292 IonicContact NH2-OE1 2.77Å
189T78.6Confident73.2Confident101 Ų10153.9 Ų53.962%0.6230%0.303SS*.Hα-helixtrans-64.6-39.8-179.3-53.70000111.8N187 S193N187-T189 PolarHBondContact O-N 2.83Å; N187-T189 VanDerWaalsContact O-N 3.14Å; N187-T189 PolarHBondContact OD1-N 3.27Å; T189-S193 VanDerWaalsContact O-CB 3.24Å; T189-S193 WeakPolarHBondContact O-CB 3.32Å; T189-S193 PolarHBondContact O-N 2.9Å; T189-S193 PolarHBondContact O-OG 3Å
190Y79.9Confident75.3Confident16 Ų1652.1 Ų52.16%0.06328%0.283CS..Hα-helixtrans-70.9-46.4178.4178.6-107.2000112I103 I153 P157 H163 L186 N187 R188 I192 S193 S194I103-Y190 HydrophobicContact CD1-CE1 4.23Å; I103-Y190 WeakPolarHBondContact CD1-OH 3.41Å; I153-Y190 PolarHBondContact O-OH 2.85Å; P157-Y190 HydrophobicContact CB-CD2 3.72Å; P157-Y190 HydrophobicContact CB-CE2 3.16Å; P157-Y190 HydrophobicContact CG-CD2 4.28Å; P157-Y190 HydrophobicContact CG-CE2 3.52Å; H163-Y190 HydrophobicContact CB-CD1 3.75Å; H163-Y190 HydrophobicContact CB-CE1 3.71Å; H163-Y190 HydrophobicContact CB-CG 4.34Å; L186-Y190 HydrophobicContact CB-CD1 4.19Å; L186-Y190 HydrophobicContact CD1-CD1 4.21Å; L186-Y190 HydrophobicContact CD1-CE1 4.2Å; L186-Y190 HydrophobicContact CD2-CD1 3.75Å; L186-Y190 HydrophobicContact CD2-CE1 3.74Å; L186-Y190 HydrophobicContact CG-CD1 4.24Å; L186-Y190 HydrophobicContact CG-CE1 4.46Å; N187-Y190 CarbonylContact O-C 3.58Å; N187-Y190 WeakPolarHBondContact O-CA 3.41Å; N187-Y190 WeakPolarHBondContact O-CB 3.43Å; N187-Y190 PolarHBondContact O-N 3.22Å; R188-Y190 VanDerWaalsContact C-N 3.34Å; R188-Y190 PolarHBondContact O-N 2.94Å; Y190-I192 VanDerWaalsContact C-N 3.31Å; Y190-I192 PolarHBondContact O-N 2.92Å; Y190-S193 PolarHBondContact O-N 3.22Å; Y190-S193 PolarHBondContact O-OG 3.46Å; Y190-S194 WeakPolarHBondContact O-CB 3.39Å; Y190-S194 PolarHBondContact O-N 2.92Å
191A80.9Confident77Confident0 Ų050.4 Ų50.40%027%0.272CS..Hα-helixtrans-55.9-46178.600000111.5L186 N187 R188 S195 P289L186-A191 HydrophobicContact CB-CB 3.92Å; L186-A191 HydrophobicContact CD1-CB 4.44Å; N187-A191 PolarHBondContact O-N 3Å; R188-A191 PolarHBondContact O-N 3.39Å; A191-S195 WeakPolarHBondContact O-CB 3.31Å; A191-S195 PolarHBondContact O-N 3.36Å; A191-S195 PolarHBondContact O-OG 3.06Å; A191-P289 HydrophobicContact CB-CG 3.76Å
192I84.1Confident78.5Confident57 Ų5746.3 Ų46.329%0.29225%0.251SS..Hα-helixtrans-70-52.4179.3-61.4162.4000111R188 Y190 S194 S195 L196 F290R188-I192 WeakPolarHBondContact O-CD1 3.29Å; R188-I192 VanDerWaalsContact O-CG1 3.22Å; R188-I192 WeakPolarHBondContact O-CG1 3.36Å; R188-I192 PolarHBondContact O-N 2.89Å; R188-I192 VanDerWaalsContact O-N 3.12Å; Y190-I192 VanDerWaalsContact C-N 3.31Å; Y190-I192 PolarHBondContact O-N 2.92Å; I192-S194 PolarHBondContact O-N 3.38Å; I192-S195 PolarHBondContact O-N 3.47Å; I192-L196 HydrophobicContact CG2-CD1 3.89Å; I192-L196 HydrophobicContact CG2-CG 4.37Å; I192-L196 WeakPolarHBondContact O-CB 3.48Å; I192-L196 VanDerWaalsContact O-CG 3.29Å; I192-L196 WeakPolarHBondContact O-CG 3.39Å; I192-L196 PolarHBondContact O-N 2.96Å; I192-F290 HydrophobicContact CD1-CE2 3.68Å; I192-F290 HydrophobicContact CD1-CZ 3.47Å; I192-F290 VanDerWaalsContact CD1-CZ 3.47Å; I192-F290 HydrophobicContact CG1-CE2 4.26Å
193S84.3Confident79.6Confident48 Ų4846.6 Ų46.634%0.33625%0.252SS..Hα-helixtrans-63.6-42.4-176.357.70000112.3T189 Y190 L196 I197T189-S193 VanDerWaalsContact O-CB 3.24Å; T189-S193 WeakPolarHBondContact O-CB 3.32Å; T189-S193 PolarHBondContact O-N 2.9Å; T189-S193 PolarHBondContact O-OG 3Å; Y190-S193 PolarHBondContact O-N 3.22Å; Y190-S193 PolarHBondContact O-OG 3.46Å; S193-L196 PolarHBondContact O-N 3.5Å; S193-I197 WeakPolarHBondContact O-CG1 3.11Å; S193-I197 PolarHBondContact O-N 3.27Å; S193-I197 VanDerWaalsContact O-N 3.12Å
194S82.7Confident81.2Confident14 Ų1446 Ų4610%0.09826%0.256CS..Hα-helixtrans-65.4-42.7176.2-173.30000111.6Y190 I192 L196 I197 S198Y190-S194 WeakPolarHBondContact O-CB 3.39Å; Y190-S194 PolarHBondContact O-N 2.92Å; I192-S194 PolarHBondContact O-N 3.38Å; S194-L196 VanDerWaalsContact C-N 3.35Å; S194-L196 PolarHBondContact O-N 3.02Å; S194-I197 PolarHBondContact O-N 2.81Å; S194-S198 WeakPolarHBondContact O-CB 3.5Å; S194-S198 PolarHBondContact O-N 3.35Å; S194-S198 PolarHBondContact O-OG 3.27Å
195S88.2Confident82.9Confident1 Ų146.9 Ų46.91%0.00726%0.256CS..Hα-helixtrans-63.8-38.8175.8-59.90000112.3A191 I192 F199 Y200 N285A191-S195 WeakPolarHBondContact O-CB 3.31Å; A191-S195 PolarHBondContact O-N 3.36Å; A191-S195 PolarHBondContact O-OG 3.06Å; I192-S195 PolarHBondContact O-N 3.47Å; S195-F199 WeakPolarHBondContact O-CA 3.41Å; S195-F199 WeakPolarHBondContact O-CB 3.23Å; S195-F199 PolarHBondContact O-N 3.05Å; S195-Y200 WeakPolarHBondContact O-CD2 3.47Å; S195-Y200 PolarHBondContact O-N 3.13Å; S195-Y200 VanDerWaalsContact O-N 3.12Å; S195-N285 PolarHBondContact OG-ND2 3.39Å
196L88.7Confident84.6Confident81 Ų8142.9 Ų42.942%0.42423%0.227SC..Iπ-helixtrans-61.3-50.2177.1-76.9171.5000112I192 S193 S194 Y200 I201I192-L196 HydrophobicContact CG2-CD1 3.89Å; I192-L196 HydrophobicContact CG2-CG 4.37Å; I192-L196 WeakPolarHBondContact O-CB 3.48Å; I192-L196 VanDerWaalsContact O-CG 3.29Å; I192-L196 WeakPolarHBondContact O-CG 3.39Å; I192-L196 PolarHBondContact O-N 2.96Å; S193-L196 PolarHBondContact O-N 3.5Å; S194-L196 VanDerWaalsContact C-N 3.35Å; S194-L196 PolarHBondContact O-N 3.02Å; L196-Y200 HydrophobicContact CD2-CD2 3.97Å; L196-Y200 HydrophobicContact CD2-CG 4.3Å; L196-Y200 HydrophobicContact CG-CD2 4.47Å; L196-Y200 PolarHBondContact O-N 3.05Å; L196-I201 WeakPolarHBondContact O-CB 3.18Å; L196-I201 WeakPolarHBondContact O-CG1 3.3Å; L196-I201 PolarHBondContact O-N 3.03Å
197I85.8Confident85.7Confident80 Ų8046.3 Ų46.341%0.4125%0.245SC..Iπ-helixtrans-73.5-42.1-175.7-58.8168.4000111I153 S193 S194 P202I153-I197 HydrophobicContact CD1-CB 4.36Å; I153-I197 HydrophobicContact CD1-CG2 3.39Å; I153-I197 HydrophobicContact CG1-CG2 4.11Å; S193-I197 WeakPolarHBondContact O-CG1 3.11Å; S193-I197 PolarHBondContact O-N 3.27Å; S193-I197 VanDerWaalsContact O-N 3.12Å; S194-I197 PolarHBondContact O-N 2.81Å; I197-P202 VanDerWaalsContact O-CD 3.25Å; I197-P202 WeakPolarHBondContact O-CD 3.38Å
198S85.8Confident86.6Confident2 Ų247.3 Ų47.31%0.01425%0.253CS..Iπ-helixtrans-84.9-22.9-171.9-54.70000113.9T107 I110 I153 S194T107-S198 PolarHBondContact OG1-OG 3.06Å; I110-S198 VanDerWaalsContact CG2-O 3.23Å; I110-S198 WeakPolarHBondContact CG2-O 3.25Å; I153-S198 WeakPolarHBondContact CG2-OG 3.37Å; S194-S198 WeakPolarHBondContact O-CB 3.5Å; S194-S198 PolarHBondContact O-N 3.35Å; S194-S198 PolarHBondContact O-OG 3.27Å
199F89.5Confident87.1Confident0 Ų042.3 Ų42.30%024%0.235CC..Iπ-helixtrans-128.7-60-176.3177.3-105.2000113.9I110 S195 I201 P202 V203 F274 W278 L279 F282I110-F199 HydrophobicContact CD1-CB 4.5Å; I110-F199 HydrophobicContact CD1-CD2 4.24Å; S195-F199 WeakPolarHBondContact O-CA 3.41Å; S195-F199 WeakPolarHBondContact O-CB 3.23Å; S195-F199 PolarHBondContact O-N 3.05Å; F199-I201 PolarHBondContact O-N 3.05Å; F199-P202 VanDerWaalsContact O-CD 3.32Å; F199-P202 WeakPolarHBondContact O-CD 3.29Å; F199-V203 HydrophobicContact CD1-CG2 4.35Å; F199-V203 HydrophobicContact CD2-CG2 3.71Å; F199-V203 HydrophobicContact CE1-CG2 4.12Å; F199-V203 HydrophobicContact CE2-CG2 3.43Å; F199-V203 VanDerWaalsContact CE2-CG2 3.43Å; F199-V203 HydrophobicContact CG-CG2 4.16Å; F199-V203 HydrophobicContact CZ-CG2 3.67Å; F199-V203 WeakPolarHBondContact O-CB 3.39Å; F199-V203 WeakPolarHBondContact O-CG2 3.16Å; F199-V203 PolarHBondContact O-N 3.01Å; F199-F274 HydrophobicContact CD2-CZ 4.36Å; F199-F274 HydrophobicContact CE2-CE1 4.31Å; F199-F274 HydrophobicContact CE2-CZ 4.24Å; F199-W278 HydrophobicContact CD2-CB 4.11Å; F199-W278 HydrophobicContact CE2-CB 3.44Å; F199-W278 VanDerWaalsContact CE2-CB 3.44Å; F199-W278 HydrophobicContact CE2-CG 4.46Å; F199-W278 HydrophobicContact CZ-CB 4.15Å; F199-L279 HydrophobicContact CE1-CD1 3.87Å; F199-L279 HydrophobicContact CZ-CB 4.06Å; F199-L279 HydrophobicContact CZ-CD1 4.11Å; F199-F282 HydrophobicContact CB-CD1 3.71Å; F199-F282 HydrophobicContact CB-CD2 3.65Å; F199-F282 HydrophobicContact CB-CE1 3.59Å; F199-F282 HydrophobicContact CB-CE2 3.52Å; F199-F282 HydrophobicContact CB-CG 3.75Å; F199-F282 HydrophobicContact CB-CZ 3.5Å; F199-F282 VanDerWaalsContact CB-CZ 3.5Å; F199-F282 HydrophobicContact CD1-CB 3.55Å; F199-F282 HydrophobicContact CD1-CD1 4.15Å; F199-F282 AromaticContact CD1-CD2 3.54Å; F199-F282 HydrophobicContact CD1-CD2 3.54Å; F199-F282 HydrophobicContact CD1-CE2 4.27Å; F199-F282 AromaticContact CD1-CG 3.46Å; F199-F282 HydrophobicContact CD1-CG 3.46Å; F199-F282 VanDerWaalsContact CD1-CG 3.46Å; F199-F282 AromaticContact CD2-CD2 3.27Å; F199-F282 HydrophobicContact CD2-CD2 3.27Å; F199-F282 AromaticContact CD2-CE2 3.36Å; F199-F282 HydrophobicContact CD2-CE2 3.36Å; F199-F282 HydrophobicContact CD2-CG 4.07Å; F199-F282 HydrophobicContact CD2-CZ 4.23Å; F199-F282 HydrophobicContact CE1-CB 3.75Å; F199-F282 AromaticContact CE1-CD2 3.93Å; F199-F282 HydrophobicContact CE1-CD2 3.93Å; F199-F282 HydrophobicContact CE1-CG 4.03Å; F199-F282 AromaticContact CE2-CD2 3.71Å; F199-F282 HydrophobicContact CE2-CD2 3.71Å; F199-F282 HydrophobicContact CE2-CE2 4.11Å; F199-F282 HydrophobicContact CG-CB 4.11Å; F199-F282 HydrophobicContact CG-CD1 4Å; F199-F282 AromaticContact CG-CD2 3.18Å; F199-F282 HydrophobicContact CG-CD2 3.18Å; F199-F282 HydrophobicContact CG-CE1 4.23Å; F199-F282 AromaticContact CG-CE2 3.46Å; F199-F282 HydrophobicContact CG-CE2 3.46Å; F199-F282 VanDerWaalsContact CG-CE2 3.46Å; F199-F282 AromaticContact CG-CG 3.48Å; F199-F282 HydrophobicContact CG-CG 3.48Å; F199-F282 VanDerWaalsContact CG-CG 3.48Å; F199-F282 AromaticContact CG-CZ 4Å; F199-F282 HydrophobicContact CG-CZ 4Å; F199-F282 HydrophobicContact CZ-CB 4.46Å; F199-F282 HydrophobicContact CZ-CD2 4.01Å
200Y91.4Very high87.3Confident69 Ų6938.4 Ų38.427%0.27121%0.21SC..Iπ-helixtrans-65.7-41.2-169.6-67.9-74.3000113.4S195 L196 A204 F282S195-Y200 WeakPolarHBondContact O-CD2 3.47Å; S195-Y200 PolarHBondContact O-N 3.13Å; S195-Y200 VanDerWaalsContact O-N 3.12Å; L196-Y200 HydrophobicContact CD2-CD2 3.97Å; L196-Y200 HydrophobicContact CD2-CG 4.3Å; L196-Y200 HydrophobicContact CG-CD2 4.47Å; L196-Y200 PolarHBondContact O-N 3.05Å; Y200-A204 WeakPolarHBondContact O-CB 3.17Å; Y200-A204 PolarHBondContact O-N 3.34Å; Y200-F282 PolarHBondContact OH-O 3.05Å
201I91.8Very high87.5Confident92 Ų9241 Ų4147%0.47223%0.227SC..Hα-helixtrans-64-52.4175.6-69.3172000110.9L196 F199 V203 A204 I205L196-I201 WeakPolarHBondContact O-CB 3.18Å; L196-I201 WeakPolarHBondContact O-CG1 3.3Å; L196-I201 PolarHBondContact O-N 3.03Å; F199-I201 PolarHBondContact O-N 3.05Å; I201-V203 PolarHBondContact O-N 3.12Å; I201-A204 PolarHBondContact O-N 2.97Å; I201-I205 HydrophobicContact CG2-CD1 3.99Å; I201-I205 WeakPolarHBondContact O-CG1 3.34Å; I201-I205 PolarHBondContact O-N 3.21Å
202P90.8Very high87.7Confident4 Ų447.8 Ų47.83%0.02625%0.253CS..Hα-helixtrans-52.9-48.1173.2-30.736.3000113.4I110 L111 C114 I197 F199 A204 I205 M206I110-P202 HydrophobicContact CG2-CB 3.69Å; I110-P202 HydrophobicContact CG2-CG 4.11Å; L111-P202 HydrophobicContact CD2-CB 4.45Å; L111-P202 HydrophobicContact CD2-CG 3.68Å; C114-P202 HydrophobicContact CB-CB 4.07Å; I197-P202 VanDerWaalsContact O-CD 3.25Å; I197-P202 WeakPolarHBondContact O-CD 3.38Å; F199-P202 VanDerWaalsContact O-CD 3.32Å; F199-P202 WeakPolarHBondContact O-CD 3.29Å; P202-A204 VanDerWaalsContact C-N 3.35Å; P202-A204 PolarHBondContact O-N 3.31Å; P202-I205 WeakPolarHBondContact O-CB 3.09Å; P202-I205 PolarHBondContact O-N 3.43Å; P202-M206 WeakPolarHBondContact O-CG 3.28Å; P202-M206 PolarHBondContact O-N 3.32Å
203V89.8Confident87.7Confident13 Ų1345.3 Ų45.38%0.07924%0.24CC..Hα-helixtrans-60.1-43.3178.1169.60000111.5F199 I201 I205 M206 I207 F274 V275F199-V203 HydrophobicContact CD1-CG2 4.35Å; F199-V203 HydrophobicContact CD2-CG2 3.71Å; F199-V203 HydrophobicContact CE1-CG2 4.12Å; F199-V203 HydrophobicContact CE2-CG2 3.43Å; F199-V203 VanDerWaalsContact CE2-CG2 3.43Å; F199-V203 HydrophobicContact CG-CG2 4.16Å; F199-V203 HydrophobicContact CZ-CG2 3.67Å; F199-V203 WeakPolarHBondContact O-CB 3.39Å; F199-V203 WeakPolarHBondContact O-CG2 3.16Å; F199-V203 PolarHBondContact O-N 3.01Å; I201-V203 PolarHBondContact O-N 3.12Å; V203-I205 PolarHBondContact O-N 3.45Å; V203-M206 WeakPolarHBondContact O-CB 3.32Å; V203-M206 PolarHBondContact O-N 2.88Å; V203-I207 HydrophobicContact CG1-CD1 3.63Å; V203-I207 HydrophobicContact CG1-CG1 4.24Å; V203-I207 VanDerWaalsContact O-CG1 3.3Å; V203-I207 WeakPolarHBondContact O-CG1 3.34Å; V203-I207 PolarHBondContact O-N 3.37Å; V203-F274 HydrophobicContact CG2-CE1 3.74Å; V203-F274 HydrophobicContact CG2-CZ 4.46Å; V203-V275 HydrophobicContact CG1-CG2 4.32Å
204A91.3Very high87.5Confident51 Ų5149.4 Ų49.442%0.42125%0.249SC..Hα-helixtrans-61.4-43.7176.800000111.6Y200 I201 P202 M206 I207 V208Y200-A204 WeakPolarHBondContact O-CB 3.17Å; Y200-A204 PolarHBondContact O-N 3.34Å; I201-A204 PolarHBondContact O-N 2.97Å; P202-A204 VanDerWaalsContact C-N 3.35Å; P202-A204 PolarHBondContact O-N 3.31Å; A204-M206 VanDerWaalsContact C-N 3.34Å; A204-M206 PolarHBondContact O-N 3.13Å; A204-I207 PolarHBondContact O-N 3.31Å; A204-V208 WeakPolarHBondContact O-CB 3.46Å; A204-V208 VanDerWaalsContact O-CG2 3.28Å; A204-V208 WeakPolarHBondContact O-CG2 3.15Å; A204-V208 PolarHBondContact O-N 3.49Å
205I91.1Very high87.6Confident70 Ų7056.7 Ų56.736%0.35927%0.274SS..Hα-helixtrans-60.2-45.9174.6-65.7166.4000110.3V118 I201 P202 V203 V208 T209V118-I205 HydrophobicContact CG2-CG2 3.91Å; I201-I205 HydrophobicContact CG2-CD1 3.99Å; I201-I205 WeakPolarHBondContact O-CG1 3.34Å; I201-I205 PolarHBondContact O-N 3.21Å; P202-I205 WeakPolarHBondContact O-CB 3.09Å; P202-I205 PolarHBondContact O-N 3.43Å; V203-I205 PolarHBondContact O-N 3.45Å; I205-V208 PolarHBondContact O-N 3.14Å; I205-T209 HydrophobicContact CG2-CG2 4.2Å; I205-T209 WeakPolarHBondContact O-CB 3.49Å; I205-T209 VanDerWaalsContact O-CG2 3.27Å; I205-T209 WeakPolarHBondContact O-CG2 3.25Å; I205-T209 PolarHBondContact O-N 3.13Å; I205-T209 PolarHBondContact O-OG1 3.32Å
206M88.9Confident87.3Confident7 Ų758.7 Ų58.73%0.03429%0.285CS..Hα-helixtrans-59.8-49.7177.6-65.4166.469.500111L113 C114 S117 P202 V203 A204 V208 T209 Y210 M271 F274L113-M206 HydrophobicContact CB-CE 4.04Å; C114-M206 HydrophobicContact CB-CG 4.13Å; C114-M206 HydrophobicContact CB-SD 4.13Å; S117-M206 WeakPolarHBondContact OG-CG 3.33Å; P202-M206 WeakPolarHBondContact O-CG 3.28Å; P202-M206 PolarHBondContact O-N 3.32Å; V203-M206 WeakPolarHBondContact O-CB 3.32Å; V203-M206 PolarHBondContact O-N 2.88Å; A204-M206 VanDerWaalsContact C-N 3.34Å; A204-M206 PolarHBondContact O-N 3.13Å; M206-V208 PolarHBondContact O-N 2.88Å; M206-T209 WeakPolarHBondContact CA-OG1 3.29Å; M206-T209 PolarHBondContact O-N 3.21Å; M206-T209 PolarHBondContact O-OG1 3.02Å; M206-Y210 VanDerWaalsContact O-CB 3.29Å; M206-Y210 WeakPolarHBondContact O-CB 3.19Å; M206-Y210 VanDerWaalsContact O-CD2 3.22Å; M206-Y210 WeakPolarHBondContact O-CD2 3.24Å; M206-Y210 PolarHBondContact O-N 3.02Å; M206-M271 HydrophobicContact CE-CE 3.45Å; M206-M271 VanDerWaalsContact CE-CE 3.45Å; M206-M271 HydrophobicContact CE-SD 3.11Å; M206-M271 WeakPolarHBondContact CE-SD 3.37Å; M206-M271 HydrophobicContact CG-CE 4.45Å; M206-F274 HydrophobicContact CE-CD1 3.48Å; M206-F274 VanDerWaalsContact CE-CD1 3.48Å; M206-F274 HydrophobicContact CE-CE1 3.72Å; M206-F274 HydrophobicContact CE-CG 4.19Å; M206-F274 HydrophobicContact SD-CD1 4.2Å; M206-F274 HydrophobicContact SD-CE1 3.82Å
207I88.3Confident86.6Confident91 Ų9155.2 Ų55.247%0.46727%0.268SS..Hα-helixtrans-60.4-46.3178.8-69.1169.2000111.2V203 A204 T211V203-I207 HydrophobicContact CG1-CD1 3.63Å; V203-I207 HydrophobicContact CG1-CG1 4.24Å; V203-I207 VanDerWaalsContact O-CG1 3.3Å; V203-I207 WeakPolarHBondContact O-CG1 3.34Å; V203-I207 PolarHBondContact O-N 3.37Å; A204-I207 PolarHBondContact O-N 3.31Å; I207-T211 VanDerWaalsContact O-CB 3.29Å; I207-T211 WeakPolarHBondContact O-CB 3.44Å; I207-T211 PolarHBondContact O-N 3.03Å; I207-T211 PolarHBondContact O-OG1 3.48Å
208V89.4Confident86.2Confident79 Ų7954 Ų5448%0.47926%0.26SS..Hα-helixtrans-64.5-48.8-179.5170.10000111A204 I205 M206 Y210 T211 R212A204-V208 WeakPolarHBondContact O-CB 3.46Å; A204-V208 VanDerWaalsContact O-CG2 3.28Å; A204-V208 WeakPolarHBondContact O-CG2 3.15Å; A204-V208 PolarHBondContact O-N 3.49Å; I205-V208 PolarHBondContact O-N 3.14Å; M206-V208 PolarHBondContact O-N 2.88Å; V208-Y210 PolarHBondContact O-N 3.38Å; V208-T211 PolarHBondContact O-N 2.84Å; V208-R212 WeakPolarHBondContact O-CG 3.3Å; V208-R212 PolarHBondContact O-N 3.11Å
209T87.3Confident86Confident12 Ų1257.9 Ų57.97%0.07428%0.28CS..Hα-helixtrans-60.9-45.4179.151.40000110.8V118 Y121 I205 M206 R212 I213V118-T209 HydrophobicContact CG2-CG2 4.43Å; Y121-T209 HydrophobicContact CD1-CG2 4.12Å; Y121-T209 HydrophobicContact CG-CG2 4.21Å; I205-T209 HydrophobicContact CG2-CG2 4.2Å; I205-T209 WeakPolarHBondContact O-CB 3.49Å; I205-T209 VanDerWaalsContact O-CG2 3.27Å; I205-T209 WeakPolarHBondContact O-CG2 3.25Å; I205-T209 PolarHBondContact O-N 3.13Å; I205-T209 PolarHBondContact O-OG1 3.32Å; M206-T209 WeakPolarHBondContact CA-OG1 3.29Å; M206-T209 PolarHBondContact O-N 3.21Å; M206-T209 PolarHBondContact O-OG1 3.02Å; T209-R212 WeakPolarHBondContact O-CB 3.44Å; T209-R212 PolarHBondContact O-N 3.34Å; T209-I213 VanDerWaalsContact O-CG1 3.28Å; T209-I213 WeakPolarHBondContact O-CG1 3.27Å; T209-I213 PolarHBondContact O-N 3.37Å
210Y82.9Confident85.4Confident20 Ų2061.8 Ų61.88%0.07830%0.298CS..Hα-helixtrans-66.9-38.8178.2-89.2-101.1000113.9M206 V208 R212 I213 Y214 L267 M271M206-Y210 VanDerWaalsContact O-CB 3.29Å; M206-Y210 WeakPolarHBondContact O-CB 3.19Å; M206-Y210 VanDerWaalsContact O-CD2 3.22Å; M206-Y210 WeakPolarHBondContact O-CD2 3.24Å; M206-Y210 PolarHBondContact O-N 3.02Å; V208-Y210 PolarHBondContact O-N 3.38Å; Y210-R212 VanDerWaalsContact C-N 3.28Å; Y210-R212 PolarHBondContact O-N 3.48Å; Y210-I213 HydrophobicContact CD2-CD1 4.4Å; Y210-I213 HydrophobicContact CE2-CD1 4.44Å; Y210-I213 HydrophobicContact CG-CD1 4.5Å; Y210-I213 WeakPolarHBondContact O-CB 3.38Å; Y210-I213 PolarHBondContact O-N 2.97Å; Y210-Y214 WeakPolarHBondContact O-CB 3.33Å; Y210-Y214 PolarHBondContact O-N 3.02Å; Y210-L267 HydrophobicContact CE1-CB 3.76Å; Y210-L267 VanDerWaalsContact CE1-O 3.25Å; Y210-L267 WeakPolarHBondContact CE1-O 3.34Å; Y210-L267 PolarHBondContact OH-O 3.32Å; Y210-M271 HydrophobicContact CD1-CG 3.84Å; Y210-M271 HydrophobicContact CD2-CE 3.98Å; Y210-M271 HydrophobicContact CD2-CG 3.83Å; Y210-M271 HydrophobicContact CE1-CE 4.44Å; Y210-M271 HydrophobicContact CE1-CG 3.53Å; Y210-M271 HydrophobicContact CE2-CE 3.1Å; Y210-M271 HydrophobicContact CE2-CG 3.58Å; Y210-M271 HydrophobicContact CE2-SD 4.13Å; Y210-M271 HydrophobicContact CG-CG 3.95Å; Y210-M271 VanDerWaalsContact OH-CE 3.25Å; Y210-M271 WeakPolarHBondContact OH-CE 3.37Å
211T84.3Confident84.5Confident71 Ų7160.5 Ų60.544%0.43630%0.296SS..Hα-helixtrans-61.1-42.5173.7-58.90000110I207 V208 Y214 R215I207-T211 VanDerWaalsContact O-CB 3.29Å; I207-T211 WeakPolarHBondContact O-CB 3.44Å; I207-T211 PolarHBondContact O-N 3.03Å; I207-T211 PolarHBondContact O-OG1 3.48Å; V208-T211 PolarHBondContact O-N 2.84Å; T211-Y214 PolarHBondContact O-N 3.29Å; T211-R215 WeakPolarHBondContact O-CG 3.5Å; T211-R215 PolarHBondContact O-N 2.99Å
212R86.5Confident83.8Confident142 Ų14264.5 Ų64.554%0.53631%0.305SS..Hα-helixtrans-65.1-43.8174.7-71.1-177175.8-124.9-1.9112.1Y121 V208 T209 Y210 Y214 R215 I216Y121-R212 HydrophobicContact CD2-CB 4.24Å; Y121-R212 HydrophobicContact CE2-CB 3.62Å; V208-R212 WeakPolarHBondContact O-CG 3.3Å; V208-R212 PolarHBondContact O-N 3.11Å; T209-R212 WeakPolarHBondContact O-CB 3.44Å; T209-R212 PolarHBondContact O-N 3.34Å; Y210-R212 VanDerWaalsContact C-N 3.28Å; Y210-R212 PolarHBondContact O-N 3.48Å; R212-Y214 VanDerWaalsContact C-N 3.33Å; R212-Y214 PolarHBondContact O-N 2.97Å; R212-R215 PolarHBondContact O-N 3.04Å; R212-I216 VanDerWaalsContact O-CG1 3.28Å; R212-I216 WeakPolarHBondContact O-CG1 3.19Å; R212-I216 PolarHBondContact O-N 3.39Å
213I82.9Confident83.3Confident4 Ų472.5 Ų72.52%0.02134%0.335CS..Hα-helixtrans-54.7-51.4174.1-69.4170000110R120 Y121 I124 T209 Y210 R215 I216 A217 L264R120-I213 HydrophobicContact CB-CD1 4.42Å; Y121-I213 HydrophobicContact CD2-CG1 3.76Å; Y121-I213 HydrophobicContact CG-CG1 4.37Å; I124-I213 HydrophobicContact CD1-CD1 4.32Å; I124-I213 HydrophobicContact CD1-CG1 4.38Å; I124-I213 HydrophobicContact CD1-CG2 3.71Å; I124-I213 HydrophobicContact CG2-CG2 4.37Å; T209-I213 VanDerWaalsContact O-CG1 3.28Å; T209-I213 WeakPolarHBondContact O-CG1 3.27Å; T209-I213 PolarHBondContact O-N 3.37Å; Y210-I213 HydrophobicContact CD2-CD1 4.4Å; Y210-I213 HydrophobicContact CE2-CD1 4.44Å; Y210-I213 HydrophobicContact CG-CD1 4.5Å; Y210-I213 WeakPolarHBondContact O-CB 3.38Å; Y210-I213 PolarHBondContact O-N 2.97Å; I213-R215 VanDerWaalsContact C-N 3.33Å; I213-R215 PolarHBondContact O-N 3.3Å; I213-I216 PolarHBondContact O-N 3.41Å; I213-A217 WeakPolarHBondContact O-CB 3.46Å; I213-A217 PolarHBondContact O-N 3.43Å; I213-L264 HydrophobicContact CG2-CD2 3.38Å
214Y81.1Confident82.5Confident134 Ų13473.3 Ų73.353%0.52534%0.338SS..Hα-helixtrans-60-43.8-179.3179.8-102.5000111.5Y210 T211 R212 A217 Q218Y210-Y214 WeakPolarHBondContact O-CB 3.33Å; Y210-Y214 PolarHBondContact O-N 3.02Å; T211-Y214 PolarHBondContact O-N 3.29Å; R212-Y214 VanDerWaalsContact C-N 3.33Å; R212-Y214 PolarHBondContact O-N 2.97Å; Y214-A217 PolarHBondContact O-N 2.93Å; Y214-Q218 HydrophobicContact CD1-CG 4.16Å; Y214-Q218 HydrophobicContact CD2-CG 4.37Å; Y214-Q218 HydrophobicContact CE1-CG 3.82Å; Y214-Q218 HydrophobicContact CE2-CG 4.05Å; Y214-Q218 HydrophobicContact CG-CG 4.43Å; Y214-Q218 WeakPolarHBondContact O-CB 3.38Å; Y214-Q218 WeakPolarHBondContact O-CG 3.33Å; Y214-Q218 PolarHBondContact O-N 3.15Å; Y214-Q218 PolarHBondContact OH-NE2 3Å; Y214-Q218 VanDerWaalsContact OH-NE2 3.15Å
215R84Confident81.8Confident167 Ų16773 Ų7363%0.6333%0.333SS*.Hα-helixtrans-62.3-47.4176.5-69-76.3-175.5175.81.4111.9T211 R212 I213 Q218 I219T211-R215 WeakPolarHBondContact O-CG 3.5Å; T211-R215 PolarHBondContact O-N 2.99Å; R212-R215 PolarHBondContact O-N 3.04Å; I213-R215 VanDerWaalsContact C-N 3.33Å; I213-R215 PolarHBondContact O-N 3.3Å; R215-Q218 PolarHBondContact O-N 3.02Å; R215-I219 WeakPolarHBondContact O-CD1 3.49Å; R215-I219 VanDerWaalsContact O-CG1 3.26Å; R215-I219 WeakPolarHBondContact O-CG1 3.27Å; R215-I219 PolarHBondContact O-N 2.64Å
216I81.2Confident81.2Confident44 Ų4471.9 Ų71.923%0.22633%0.334CS..Hα-helixtrans-60.6-47.6178.9-68.8165.9000110.2Y121 I124 R212 I213 Q218 I219 Q220Y121-I216 HydrophobicContact CE2-CD1 4.02Å; I124-I216 HydrophobicContact CG2-CG2 4.5Å; R212-I216 VanDerWaalsContact O-CG1 3.28Å; R212-I216 WeakPolarHBondContact O-CG1 3.19Å; R212-I216 PolarHBondContact O-N 3.39Å; I213-I216 PolarHBondContact O-N 3.41Å; I216-Q218 PolarHBondContact O-N 3Å; I216-I219 PolarHBondContact O-N 3.4Å; I216-Q220 WeakPolarHBondContact O-CG 3.09Å; I216-Q220 PolarHBondContact O-N 3.46Å
217A74.4Confident80.8Confident8 Ų877.6 Ų77.67%0.06636%0.364CS..Hα-helixtrans-58.1-49.9176.900000111.1I213 Y214 I219 Q220 I221 L264I213-A217 WeakPolarHBondContact O-CB 3.46Å; I213-A217 PolarHBondContact O-N 3.43Å; Y214-A217 PolarHBondContact O-N 2.93Å; A217-I219 VanDerWaalsContact C-N 3.29Å; A217-I219 PolarHBondContact O-N 3.26Å; A217-Q220 WeakPolarHBondContact O-CA 3.49Å; A217-Q220 WeakPolarHBondContact O-CB 3.37Å; A217-Q220 PolarHBondContact O-N 3.44Å; A217-I221 WeakPolarHBondContact O-CG1 3.33Å; A217-I221 PolarHBondContact O-N 2.96Å; A217-L264 HydrophobicContact CB-CD1 3.36Å
218Q78.1Confident80.3Confident55 Ų5576 Ų7626%0.25735%0.354SS..Hα-helixtrans-58.3-38.4177.7-73.5-68.1-15.600112.9Y214 R215 I216 I221 R222Y214-Q218 HydrophobicContact CD1-CG 4.16Å; Y214-Q218 HydrophobicContact CD2-CG 4.37Å; Y214-Q218 HydrophobicContact CE1-CG 3.82Å; Y214-Q218 HydrophobicContact CE2-CG 4.05Å; Y214-Q218 HydrophobicContact CG-CG 4.43Å; Y214-Q218 WeakPolarHBondContact O-CB 3.38Å; Y214-Q218 WeakPolarHBondContact O-CG 3.33Å; Y214-Q218 PolarHBondContact O-N 3.15Å; Y214-Q218 PolarHBondContact OH-NE2 3Å; Y214-Q218 VanDerWaalsContact OH-NE2 3.15Å; R215-Q218 PolarHBondContact O-N 3.02Å; I216-Q218 PolarHBondContact O-N 3Å; Q218-I221 PolarHBondContact O-N 3.45Å; Q218-R222 VanDerWaalsContact O-CG 3.32Å; Q218-R222 WeakPolarHBondContact O-CG 3.3Å; Q218-R222 PolarHBondContact O-N 3.12Å
219I80.8Confident79.8Confident82 Ų8280.1 Ų80.142%0.42136%0.361SS..Hα-helixtrans-66.7-43.3175.1-68.6163.6000110.6R215 I216 A217 R222 R223R215-I219 WeakPolarHBondContact O-CD1 3.49Å; R215-I219 VanDerWaalsContact O-CG1 3.26Å; R215-I219 WeakPolarHBondContact O-CG1 3.27Å; R215-I219 PolarHBondContact O-N 2.64Å; I216-I219 PolarHBondContact O-N 3.4Å; A217-I219 VanDerWaalsContact C-N 3.29Å; A217-I219 PolarHBondContact O-N 3.26Å; I219-R222 PolarHBondContact O-N 3.39Å; I219-R223 HydrophobicContact CG2-CG 4.46Å; I219-R223 WeakPolarHBondContact O-CG 3.48Å; I219-R223 PolarHBondContact O-N 3.4Å
220Q76.6Confident79.4Confident83 Ų8382.3 Ų82.339%0.38838%0.381SS..Hα-helixtrans-60.8-43.9175-70.9173.1-12.900111.3I216 A217 R222 R223 I224I216-Q220 WeakPolarHBondContact O-CG 3.09Å; I216-Q220 PolarHBondContact O-N 3.46Å; A217-Q220 WeakPolarHBondContact O-CA 3.49Å; A217-Q220 WeakPolarHBondContact O-CB 3.37Å; A217-Q220 PolarHBondContact O-N 3.44Å; Q220-R222 PolarHBondContact O-N 2.98Å; Q220-R223 PolarHBondContact O-N 3.36Å; Q220-I224 WeakPolarHBondContact O-CB 3.32Å; Q220-I224 WeakPolarHBondContact O-CD1 3.01Å; Q220-I224 VanDerWaalsContact O-CG1 3.26Å; Q220-I224 WeakPolarHBondContact O-CG1 3.02Å; Q220-I224 PolarHBondContact O-N 3.01Å
221I73.2Confident79.1Confident42 Ų4284.2 Ų84.222%0.21540%0.401CS..Hα-helixtrans-55.5-51.9175.1-49.1-144.8000110.2A217 Q218 R223 I224 S225 F257A217-I221 WeakPolarHBondContact O-CG1 3.33Å; A217-I221 PolarHBondContact O-N 2.96Å; Q218-I221 PolarHBondContact O-N 3.45Å; I221-R223 PolarHBondContact O-N 3.45Å; I221-I224 PolarHBondContact O-N 3.22Å; I221-S225 PolarHBondContact O-N 2.9Å; I221-S225 PolarHBondContact O-OG 3.38Å; I221-F257 HydrophobicContact CB-CZ 3.89Å; I221-F257 HydrophobicContact CD1-CE1 4.36Å; I221-F257 HydrophobicContact CD1-CZ 3.71Å; I221-F257 HydrophobicContact CG1-CE2 4.19Å; I221-F257 HydrophobicContact CG1-CZ 3.54Å; I221-F257 HydrophobicContact CG2-CE1 4.38Å; I221-F257 HydrophobicContact CG2-CZ 3.92Å
222R78.1Confident78.8Confident176 Ų17686.6 Ų86.666%0.66441%0.407SS*.Hα-helixtrans-63.4-41.3-176.9-71.2174.9-169.2-176.90.5112.7Q218 I219 Q220 A226Q218-R222 VanDerWaalsContact O-CG 3.32Å; Q218-R222 WeakPolarHBondContact O-CG 3.3Å; Q218-R222 PolarHBondContact O-N 3.12Å; I219-R222 PolarHBondContact O-N 3.39Å; Q220-R222 PolarHBondContact O-N 2.98Å; R222-A226 WeakPolarHBondContact O-CB 3.45Å; R222-A226 PolarHBondContact O-N 2.82Å
223R79.8Confident78.3Confident172 Ų17282.9 Ų82.965%0.64940%0.402SS*.Hα-helixtrans-65.3-41.8178.1-73.3179.8178-169.3-1.3111.2I219 Q220 I221 A226 L227I219-R223 HydrophobicContact CG2-CG 4.46Å; I219-R223 WeakPolarHBondContact O-CG 3.48Å; I219-R223 PolarHBondContact O-N 3.4Å; Q220-R223 PolarHBondContact O-N 3.36Å; I221-R223 PolarHBondContact O-N 3.45Å; R223-A226 PolarHBondContact O-N 2.87Å; R223-L227 WeakPolarHBondContact O-CG 3.34Å; R223-L227 PolarHBondContact O-N 3.47Å
224I72.4Confident77.9Confident30 Ų3084.9 Ų84.915%0.15442%0.419CS..Hα-helixtrans-65.7-48.8177.3-70.4166.4000111Q220 I221 A226 L227 E228 F253 F257Q220-I224 WeakPolarHBondContact O-CB 3.32Å; Q220-I224 WeakPolarHBondContact O-CD1 3.01Å; Q220-I224 VanDerWaalsContact O-CG1 3.26Å; Q220-I224 WeakPolarHBondContact O-CG1 3.02Å; Q220-I224 PolarHBondContact O-N 3.01Å; I221-I224 PolarHBondContact O-N 3.22Å; I224-A226 PolarHBondContact O-N 3.41Å; I224-L227 CarbonylContact O-C 3.51Å; I224-L227 WeakPolarHBondContact O-CA 3.35Å; I224-L227 WeakPolarHBondContact O-CB 3.42Å; I224-L227 PolarHBondContact O-N 3.19Å; I224-E228 HydrophobicContact CG2-CG 4.3Å; I224-E228 WeakPolarHBondContact O-CG 3.36Å; I224-E228 PolarHBondContact O-N 3.41Å; I224-F253 HydrophobicContact CD1-CE1 4.15Å; I224-F253 HydrophobicContact CD1-CZ 4.06Å; I224-F253 HydrophobicContact CG1-CE1 4.22Å; I224-F253 HydrophobicContact CG1-CZ 4.29Å; I224-F253 HydrophobicContact CG2-CE1 3.71Å; I224-F257 HydrophobicContact CD1-CD2 3.97Å; I224-F257 HydrophobicContact CD1-CE2 3.85Å
225S76.6Confident77.5Confident45 Ų4584.5 Ų84.532%0.31542%0.421SS..Hα-helixtrans-65.4-22.5178.1-56.90000113.3I221 R229I221-S225 PolarHBondContact O-N 2.9Å; I221-S225 PolarHBondContact O-OG 3.38Å; S225-R229 VanDerWaalsContact O-CG 3.3Å; S225-R229 WeakPolarHBondContact O-CG 3.41Å; S225-R229 PolarHBondContact O-N 2.93Å; S225-R229 PolarHBondContact O-NE 2.9Å; S225-R229 VanDerWaalsContact O-NE 3.08Å
226A78.6Confident76.7Confident46 Ų4681.9 Ų81.938%0.3842%0.419SS..Hα-helixtrans-73.8-41.9169.800000111.6R222 R223 I224 R229 A230R222-A226 WeakPolarHBondContact O-CB 3.45Å; R222-A226 PolarHBondContact O-N 2.82Å; R223-A226 PolarHBondContact O-N 2.87Å; I224-A226 PolarHBondContact O-N 3.41Å; A226-R229 PolarHBondContact O-N 2.86Å; A226-A230 WeakPolarHBondContact O-CB 3.18Å; A226-A230 PolarHBondContact O-N 2.66Å
227L79.9Confident76Confident126 Ų12689 Ų8966%0.6644%0.443SS*.Hα-helixtrans-65.8-40.7175.1-72170.2000112.3R223 I224 A230 A231R223-L227 WeakPolarHBondContact O-CG 3.34Å; R223-L227 PolarHBondContact O-N 3.47Å; I224-L227 CarbonylContact O-C 3.51Å; I224-L227 WeakPolarHBondContact O-CA 3.35Å; I224-L227 WeakPolarHBondContact O-CB 3.42Å; I224-L227 PolarHBondContact O-N 3.19Å; L227-A230 PolarHBondContact O-N 2.93Å; L227-A231 VanDerWaalsContact O-CB 3.3Å; L227-A231 WeakPolarHBondContact O-CB 3.37Å; L227-A231 PolarHBondContact O-N 2.83Å
228E77.4Confident75.3Confident58 Ų5895.4 Ų95.427%0.27147%0.472SS..Hα-helixtrans-60.7-46.6175.2-72.3-179.3148.700111.1I224 A230 A231 E232 K254I224-E228 HydrophobicContact CG2-CG 4.3Å; I224-E228 WeakPolarHBondContact O-CG 3.36Å; I224-E228 PolarHBondContact O-N 3.41Å; E228-A230 VanDerWaalsContact C-N 3.33Å; E228-A230 PolarHBondContact O-N 3.43Å; E228-A231 PolarHBondContact O-N 2.73Å; E228-E232 WeakPolarHBondContact O-CB 3.38Å; E228-E232 PolarHBondContact O-N 3.12Å; E228-K254 VanDerWaalsContact OE1-CE 3.25Å; E228-K254 WeakPolarHBondContact OE1-CE 3.24Å
229R79.1Confident74.3Confident165 Ų16597 Ų9762%0.62349%0.489SS*.Hα-helixtrans-63.3-37.3176-75.1-176.3-68.8164.5-0.6112.8S225 A226 S233S225-R229 VanDerWaalsContact O-CG 3.3Å; S225-R229 WeakPolarHBondContact O-CG 3.41Å; S225-R229 PolarHBondContact O-N 2.93Å; S225-R229 PolarHBondContact O-NE 2.9Å; S225-R229 VanDerWaalsContact O-NE 3.08Å; A226-R229 PolarHBondContact O-N 2.86Å; R229-S233 WeakPolarHBondContact O-CB 3.21Å; R229-S233 PolarHBondContact O-N 2.97Å; R229-S233 PolarHBondContact O-OG 3.29Å
230A79.3Confident73.2Confident58 Ų5898.3 Ų98.348%0.47951%0.505SS..Hα-helixtrans-68.4-40.7175.500000111.9A226 L227 E228 S233 A234A226-A230 WeakPolarHBondContact O-CB 3.18Å; A226-A230 PolarHBondContact O-N 2.66Å; L227-A230 PolarHBondContact O-N 2.93Å; E228-A230 VanDerWaalsContact C-N 3.33Å; E228-A230 PolarHBondContact O-N 3.43Å; A230-S233 PolarHBondContact O-N 3.45Å; A230-A234 PolarHBondContact O-N 3.35Å
231A77.9Confident72.3Confident60 Ų60101.6 Ų101.650%0.49652%0.523SS..Hα-helixtrans-67.1-40.6176.800000112L227 E228 S233 A234 K235L227-A231 VanDerWaalsContact O-CB 3.3Å; L227-A231 WeakPolarHBondContact O-CB 3.37Å; L227-A231 PolarHBondContact O-N 2.83Å; E228-A231 PolarHBondContact O-N 2.73Å; A231-S233 VanDerWaalsContact C-N 3.35Å; A231-A234 PolarHBondContact O-N 3.38Å; A231-K235 WeakPolarHBondContact O-CB 3.38Å; A231-K235 PolarHBondContact O-N 2.9Å
232E76.6Confident71.3Confident122 Ų122103.2 Ų103.257%0.5755%0.549SS*.Hα-helixtrans-65.8-39.2176-164.3165.1-150.400111.3E228 A234 K235 N236E228-E232 WeakPolarHBondContact O-CB 3.38Å; E228-E232 PolarHBondContact O-N 3.12Å; E232-A234 VanDerWaalsContact C-N 3.3Å; E232-A234 PolarHBondContact O-N 2.92Å; E232-K235 PolarHBondContact O-N 3.5Å; E232-N236 PolarHBondContact O-N 3.43Å
233S76Confident70.1Confident63 Ų63102 Ų10244%0.44156%0.556SS.*Hα-helixtrans-66.9-27.8172.7-57.70000113.4R229 A230 A231 R237R229-S233 WeakPolarHBondContact O-CB 3.21Å; R229-S233 PolarHBondContact O-N 2.97Å; R229-S233 PolarHBondContact O-OG 3.29Å; A230-S233 PolarHBondContact O-N 3.45Å; A231-S233 VanDerWaalsContact C-N 3.35Å; S233-R237 PolarHBondContact O-NE 3.46Å; S233-R237 VanDerWaalsContact O-NE 3.17Å
234A74.8Confident69Low46 Ų46102.2 Ų102.238%0.3857%0.57SS.*Hα-helixtrans-78.7-38.2172.900000111.5A230 A231 E232 R237 H238A230-A234 PolarHBondContact O-N 3.35Å; A231-A234 PolarHBondContact O-N 3.38Å; E232-A234 VanDerWaalsContact C-N 3.3Å; E232-A234 PolarHBondContact O-N 2.92Å; A234-R237 PolarHBondContact O-N 2.98Å; A234-H238 PolarHBondContact O-N 3.25Å
235K72Confident68.1Low126 Ų126105 Ų10555%0.54859%0.592SS.*Hα-helixtrans-63.4-42.9176.2-171178.4-179179.90112.1A231 E232 R237 H238 S239A231-K235 WeakPolarHBondContact O-CB 3.38Å; A231-K235 PolarHBondContact O-N 2.9Å; E232-K235 PolarHBondContact O-N 3.5Å; K235-R237 PolarHBondContact O-N 3.24Å; K235-H238 CarbonylContact O-C 3.59Å; K235-H238 PolarHBondContact O-N 3.02Å; K235-H238 VanDerWaalsContact O-N 3.09Å; K235-S239 PolarHBondContact O-N 2.92Å
236N68.4Low66.9Low113 Ų113109.9 Ų109.960%0.60462%0.615SS**Hα-helixtrans-65.1-24.8175.6-72.2-14.8000113.1E232 S239E232-N236 PolarHBondContact O-N 3.43Å; N236-S239 PolarHBondContact O-OG 3.43Å
237R65.4Low65.7Low192 Ų192115.2 Ų115.273%0.72563%0.634SS**Hα-helixtrans-79-33.2171.6-77.5-175-87.8-157.9-0.2112.4S233 A234 K235S233-R237 PolarHBondContact O-NE 3.46Å; S233-R237 VanDerWaalsContact O-NE 3.17Å; A234-R237 PolarHBondContact O-N 2.98Å; K235-R237 PolarHBondContact O-N 3.24Å
238H61Low64.3Low144 Ų144117 Ų11767%0.66764%0.639SS**Hα-helixtrans-83.8-20.7178.4-105.1-89.6000114.5A234 K235 S240 M241A234-H238 PolarHBondContact O-N 3.25Å; K235-H238 CarbonylContact O-C 3.59Å; K235-H238 PolarHBondContact O-N 3.02Å; K235-H238 VanDerWaalsContact O-N 3.09Å; H238-S240 PolarHBondContact O-N 2.77Å; H238-S240 VanDerWaalsContact O-N 3.13Å; H238-M241 CarbonylContact O-C 3.56Å; H238-M241 PolarHBondContact O-N 2.7Å; H238-M241 VanDerWaalsContact O-O 3.08Å
239S56.9Low63.1Low88 Ų88119.7 Ų119.762%0.61566%0.659SS**THydrogen-bonded Turntrans-67.3-7.9175.259.10000114.2K235 N236 M241K235-S239 PolarHBondContact O-N 2.92Å; N236-S239 PolarHBondContact O-OG 3.43Å; S239-M241 VanDerWaalsContact C-N 3.27Å
240S56.3Low61.9Low110 Ų110116.1 Ų116.177%0.76965%0.65SS**THydrogen-bonded Turntrans-74.3-17.9167.7-162.90000112.6H238H238-S240 PolarHBondContact O-N 2.77Å; H238-S240 VanDerWaalsContact O-N 3.13Å
241M57.7Low60.7Low152 Ų152116.7 Ų116.775%0.74965%0.65SS**SBendtrans-119.292.1177.9-144.886.278.400108H238 S239 N243H238-M241 CarbonylContact O-C 3.56Å; H238-M241 PolarHBondContact O-N 2.7Å; H238-M241 VanDerWaalsContact O-O 3.08Å; S239-M241 VanDerWaalsContact C-N 3.27Å; M241-N243 PolarHBondContact O-N 3.09Å
242G53.2Low59.4Low75 Ų75117.7 Ų117.777%0.77365%0.653SS**  trans-52109.1-169.800000113.9
243N52.6Low58.3Low152 Ų152117.2 Ų117.281%0.81365%0.65SS**  trans-153.1113156.9-125.24.5000110.2M241 S245M241-N243 PolarHBondContact O-N 3.09Å; N243-S245 PolarHBondContact O-N 3.44Å
244N56.3Low57.2Low175 Ų175118.3 Ų118.394%0.93665%0.647SS**  trans-82.599174.2-98.8-11.5000108.6
245S54Low56.2Low90 Ų90122.5 Ų122.563%0.62966%0.66SS**  trans-145.1127.3162.859.80000112.7N243N243-S245 PolarHBondContact O-N 3.44Å
246N52.2Low55.4Low147 Ų147118.8 Ų118.879%0.78665%0.65SS**  trans85.982.5156.4-57.1-11.1000117.7
247M52.1Low54.7Low158 Ų158115.4 Ų115.478%0.77863%0.63SS**  trans-98.216.3174.4-157.5168.191.600113.7
248E51.2Low54.1Low163 Ų163112.9 Ų112.976%0.76262%0.624SS**SBendtrans-98.3-33.7-174.7-69.7-172.8155.400113.9S251 S252E248-S251 PolarHBondContact O-OG 2.84Å; E248-S252 PolarHBondContact O-N 3.46Å
249T53.2Low53.8Low115 Ų115114.3 Ų114.371%0.70662%0.623SS**Hα-helixtrans-72.1-34.7-176.7-46.20000112.7F253T249-F253 PolarHBondContact O-N 2.66Å
250E52.1Low53.9Low90 Ų90114.9 Ų114.942%0.42162%0.616SS.*Hα-helixtrans-73.2-35.5-175.5-149.8-159.8145.800112.7K254E250-K254 WeakPolarHBondContact O-CG 3.29Å; E250-K254 PolarHBondContact O-N 3.32Å; E250-K254 WeakPolarHBondContact OE1-CE 3.47Å; E250-K254 IonicContact OE1-NZ 2.92Å; E250-K254 PolarHBondContact OE1-NZ 3.46Å
251S54.4Low53.9Low70 Ų70112.2 Ų112.249%0.4960%0.595SS.*Hα-helixtrans-74.6-36.6178.764.60000112E248 M255E248-S251 PolarHBondContact O-OG 2.84Å; S251-M255 WeakPolarHBondContact O-CB 3.49Å; S251-M255 PolarHBondContact O-N 3.39Å; S251-M255 VanDerWaalsContact O-N 3.07Å
252S50.6Low54.1Low80 Ų80112 Ų11256%0.55959%0.591SS**Hα-helixtrans-63-43.1174.7-175.50000112.1E248 M255 S256E248-S252 PolarHBondContact O-N 3.46Å; S252-M255 PolarHBondContact O-N 2.99Å; S252-S256 PolarHBondContact O-N 2.87Å
253F54.7Low54.3Low113 Ų113112 Ų11250%0.49658%0.575SS.*Hα-helixtrans-65.4-45.6178.1-167-102.4000112.4I224 T249 M255 S256 F257I224-F253 HydrophobicContact CD1-CE1 4.15Å; I224-F253 HydrophobicContact CD1-CZ 4.06Å; I224-F253 HydrophobicContact CG1-CE1 4.22Å; I224-F253 HydrophobicContact CG1-CZ 4.29Å; I224-F253 HydrophobicContact CG2-CE1 3.71Å; T249-F253 PolarHBondContact O-N 2.66Å; F253-M255 VanDerWaalsContact C-N 3.28Å; F253-M255 PolarHBondContact O-N 3.39Å; F253-S256 PolarHBondContact O-N 3.42Å; F253-F257 WeakPolarHBondContact O-CB 3.44Å; F253-F257 PolarHBondContact O-N 2.84Å
254K52.8Low54.8Low86 Ų86106.4 Ų106.437%0.37455%0.545SS..Hα-helixtrans-60.7-35.1175.1-72.5177.5-174.4171.20112.6E228 E250 K258E228-K254 VanDerWaalsContact OE1-CE 3.25Å; E228-K254 WeakPolarHBondContact OE1-CE 3.24Å; E250-K254 WeakPolarHBondContact O-CG 3.29Å; E250-K254 PolarHBondContact O-N 3.32Å; E250-K254 WeakPolarHBondContact OE1-CE 3.47Å; E250-K254 IonicContact OE1-NZ 2.92Å; E250-K254 PolarHBondContact OE1-NZ 3.46Å; K254-K258 WeakPolarHBondContact O-CG 3.25Å; K254-K258 PolarHBondContact O-N 3.28Å; K254-K258 VanDerWaalsContact O-N 3.12Å
255M53.3Low55.2Low134 Ų134105.7 Ų105.766%0.6653%0.533SS*.Hα-helixtrans-73.9-42.7178.5-158.770.473.600112.4S251 S252 F253 F257 K258 R259S251-M255 WeakPolarHBondContact O-CB 3.49Å; S251-M255 PolarHBondContact O-N 3.39Å; S251-M255 VanDerWaalsContact O-N 3.07Å; S252-M255 PolarHBondContact O-N 2.99Å; F253-M255 VanDerWaalsContact C-N 3.28Å; F253-M255 PolarHBondContact O-N 3.39Å; M255-F257 VanDerWaalsContact C-N 3.29Å; M255-F257 PolarHBondContact O-N 2.96Å; M255-K258 PolarHBondContact O-N 3.14Å; M255-R259 PolarHBondContact O-N 2.95Å; M255-R259 VanDerWaalsContact O-N 3.14Å
256S54.6Low55.7Low47 Ų47103.2 Ų103.233%0.32952%0.515SS..Hα-helixtrans-60.6-39.7174.8-165.90000111.5S252 F253 R259 E260S252-S256 PolarHBondContact O-N 2.87Å; F253-S256 PolarHBondContact O-N 3.42Å; S256-R259 VanDerWaalsContact O-CB 3.28Å; S256-R259 WeakPolarHBondContact O-CB 3.41Å; S256-R259 PolarHBondContact O-N 3.31Å; S256-E260 PolarHBondContact O-N 3.47Å
257F53.4Low56.4Low43 Ų4397 Ų9719%0.18948%0.481CS..Hα-helixtrans-71.7-40.9179.7-177-104.4000114.4I221 I224 F253 M255 R259 E260 T261I221-F257 HydrophobicContact CB-CZ 3.89Å; I221-F257 HydrophobicContact CD1-CE1 4.36Å; I221-F257 HydrophobicContact CD1-CZ 3.71Å; I221-F257 HydrophobicContact CG1-CE2 4.19Å; I221-F257 HydrophobicContact CG1-CZ 3.54Å; I221-F257 HydrophobicContact CG2-CE1 4.38Å; I221-F257 HydrophobicContact CG2-CZ 3.92Å; I224-F257 HydrophobicContact CD1-CD2 3.97Å; I224-F257 HydrophobicContact CD1-CE2 3.85Å; F253-F257 WeakPolarHBondContact O-CB 3.44Å; F253-F257 PolarHBondContact O-N 2.84Å; M255-F257 VanDerWaalsContact C-N 3.29Å; M255-F257 PolarHBondContact O-N 2.96Å; F257-R259 PolarHBondContact O-N 3.02Å; F257-E260 PolarHBondContact O-N 3.19Å; F257-T261 PolarHBondContact O-N 3.33Å; F257-T261 PolarHBondContact O-OG1 3.15Å
258K52.8Low57.1Low139 Ų13992.4 Ų92.460%0.60447%0.465SS*.Hα-helixtrans-59.7-31.6169.8-78.6-179.8-179.3178.20111.5K254 M255 K262K254-K258 WeakPolarHBondContact O-CG 3.25Å; K254-K258 PolarHBondContact O-N 3.28Å; K254-K258 VanDerWaalsContact O-N 3.12Å; M255-K258 PolarHBondContact O-N 3.14Å; K258-K262 VanDerWaalsContact O-CG 3.27Å; K258-K262 WeakPolarHBondContact O-CG 3.48Å; K258-K262 PolarHBondContact O-N 3.47Å
259R55.3Low58Low173 Ų17387.9 Ų87.965%0.65345%0.448SS*.Hα-helixtrans-71.1-43.6175.1-165.2178.671.7144.70.7111.6M255 S256 F257 K262 V263M255-R259 PolarHBondContact O-N 2.95Å; M255-R259 VanDerWaalsContact O-N 3.14Å; S256-R259 VanDerWaalsContact O-CB 3.28Å; S256-R259 WeakPolarHBondContact O-CB 3.41Å; S256-R259 PolarHBondContact O-N 3.31Å; F257-R259 PolarHBondContact O-N 3.02Å; R259-K262 PolarHBondContact O-N 3.35Å; R259-V263 WeakPolarHBondContact O-CG2 3.34Å; R259-V263 PolarHBondContact O-N 3.45Å
260E58.8Low58.9Low100 Ų10083.3 Ų83.347%0.46742%0.419SS..Hα-helixtrans-65-40.4177.3-74.2178.1179.300113S256 F257 K262 V263 L264S256-E260 PolarHBondContact O-N 3.47Å; F257-E260 PolarHBondContact O-N 3.19Å; E260-K262 VanDerWaalsContact C-N 3.33Å; E260-K262 PolarHBondContact O-N 3.49Å; E260-V263 WeakPolarHBondContact O-CB 3.18Å; E260-V263 PolarHBondContact O-N 3.41Å; E260-L264 PolarHBondContact O-N 2.93Å
261T56Low59.9Low54 Ų5479.9 Ų79.933%0.33140%0.404SS..Hα-helixtrans-67.7-31.9176.8-54.50000112.5F257 L264 K265F257-T261 PolarHBondContact O-N 3.33Å; F257-T261 PolarHBondContact O-OG1 3.15Å; T261-L264 PolarHBondContact O-N 2.03Å; T261-K265 PolarHBondContact O-N 3.11Å; T261-K265 VanDerWaalsContact O-N 3.09Å
262K61.5Low61.1Low149 Ų14978.3 Ų78.365%0.64840%0.398SS*.Hα-helixtrans-66.8-36.3172.7-78.7174.1-179.1-178.60112.6K258 R259 E260 K265 T266K258-K262 VanDerWaalsContact O-CG 3.27Å; K258-K262 WeakPolarHBondContact O-CG 3.48Å; K258-K262 PolarHBondContact O-N 3.47Å; R259-K262 PolarHBondContact O-N 3.35Å; E260-K262 VanDerWaalsContact C-N 3.33Å; E260-K262 PolarHBondContact O-N 3.49Å; K262-K265 PolarHBondContact O-N 3.28Å; K262-T266 PolarHBondContact O-N 2.94Å; K262-T266 VanDerWaalsContact O-N 3.13Å; K262-T266 PolarHBondContact O-OG1 2.9Å
263V59Low62.7Low73 Ų7376.3 Ų76.344%0.44238%0.383SS..Hα-helixtrans-64.6-43.4175.3174.60000110.2R259 E260 K265 T266 L267R259-V263 WeakPolarHBondContact O-CG2 3.34Å; R259-V263 PolarHBondContact O-N 3.45Å; E260-V263 WeakPolarHBondContact O-CB 3.18Å; E260-V263 PolarHBondContact O-N 3.41Å; V263-K265 PolarHBondContact O-N 3.07Å; V263-T266 PolarHBondContact O-N 3.47Å; V263-L267 HydrophobicContact CG1-CD1 4.19Å; V263-L267 HydrophobicContact CG1-CG 4.48Å; V263-L267 WeakPolarHBondContact O-CG 3.47Å; V263-L267 PolarHBondContact O-N 3.5Å
264L61.8Low64.1Low36 Ų3671 Ų7119%0.18836%0.359CS..Hα-helixtrans-61.1-41.9175.2-68.9171.7000113.1I124 I213 A217 E260 T261 T266 L267 S268I124-L264 HydrophobicContact CD1-CD2 3.79Å; I213-L264 HydrophobicContact CG2-CD2 3.38Å; A217-L264 HydrophobicContact CB-CD1 3.36Å; E260-L264 PolarHBondContact O-N 2.93Å; T261-L264 PolarHBondContact O-N 2.03Å; L264-T266 VanDerWaalsContact C-N 3.32Å; L264-T266 PolarHBondContact O-N 3.29Å; L264-L267 PolarHBondContact O-N 2.63Å; L264-S268 PolarHBondContact O-N 3.07Å; L264-S268 PolarHBondContact O-OG 3.4Å
265K65.4Low65.6Low159 Ų15968.6 Ų68.669%0.69135%0.352SS*.Hα-helixtrans-60.3-42.3175.7-173.3175.5-179.9175.70111.8T261 K262 V263 S268 V269T261-K265 PolarHBondContact O-N 3.11Å; T261-K265 VanDerWaalsContact O-N 3.09Å; K262-K265 PolarHBondContact O-N 3.28Å; V263-K265 PolarHBondContact O-N 3.07Å; K265-S268 PolarHBondContact O-N 2.97Å; K265-V269 WeakPolarHBondContact O-CG2 3.37Å; K265-V269 PolarHBondContact O-N 3.21Å; K265-V269 VanDerWaalsContact O-N 3.14Å
266T64.7Low67.2Low38 Ų3866.5 Ų66.523%0.23335%0.349CS..Hα-helixtrans-65.5-42.5178.2-50.40000110.8K262 V263 L264 S268 V269 I270 I324 F327K262-T266 PolarHBondContact O-N 2.94Å; K262-T266 VanDerWaalsContact O-N 3.13Å; K262-T266 PolarHBondContact O-OG1 2.9Å; V263-T266 PolarHBondContact O-N 3.47Å; L264-T266 VanDerWaalsContact C-N 3.32Å; L264-T266 PolarHBondContact O-N 3.29Å; T266-S268 PolarHBondContact O-N 3.15Å; T266-V269 PolarHBondContact O-N 3.21Å; T266-I270 WeakPolarHBondContact O-CG1 3.47Å; T266-I270 PolarHBondContact O-N 2.89Å; T266-I270 VanDerWaalsContact O-N 3.12Å; T266-I324 HydrophobicContact CG2-CG2 4.24Å; T266-F327 HydrophobicContact CG2-CB 3.93Å
267L66.8Low68.7Low17 Ų1764.8 Ų64.89%0.08934%0.337CS..Hα-helixtrans-63.8-39.6177.2-69.3177.1000112.8R120 I124 Y210 V263 L264 I270 M271R120-L267 HydrophobicContact CB-CD1 4.2Å; R120-L267 HydrophobicContact CG-CD1 3.96Å; R120-L267 HydrophobicContact CG-CD2 3.92Å; I124-L267 HydrophobicContact CD1-CD1 4.48Å; Y210-L267 HydrophobicContact CE1-CB 3.76Å; Y210-L267 VanDerWaalsContact CE1-O 3.25Å; Y210-L267 WeakPolarHBondContact CE1-O 3.34Å; Y210-L267 PolarHBondContact OH-O 3.32Å; V263-L267 HydrophobicContact CG1-CD1 4.19Å; V263-L267 HydrophobicContact CG1-CG 4.48Å; V263-L267 WeakPolarHBondContact O-CG 3.47Å; V263-L267 PolarHBondContact O-N 3.5Å; L264-L267 PolarHBondContact O-N 2.63Å; L267-I270 HydrophobicContact CD2-CD1 4.11Å; L267-I270 WeakPolarHBondContact O-CB 3.43Å; L267-I270 PolarHBondContact O-N 2.83Å; L267-M271 PolarHBondContact O-N 3.4Å
268S65.8Low70.4Confident62 Ų6263.1 Ų63.143%0.43433%0.329SS..Hα-helixtrans-68.9-32.6176.4-63.20000112.9L264 K265 T266 M271 G272L264-S268 PolarHBondContact O-N 3.07Å; L264-S268 PolarHBondContact O-OG 3.4Å; K265-S268 PolarHBondContact O-N 2.97Å; T266-S268 PolarHBondContact O-N 3.15Å; S268-M271 PolarHBondContact O-N 3.34Å; S268-G272 PolarHBondContact O-N 3.31Å
269V71.3Confident72Confident67 Ų6759.4 Ų59.441%0.40632%0.316SS..Hα-helixtrans-66.4-41.4173.9170.70000110.9K265 T266 M271 G272 V273K265-V269 WeakPolarHBondContact O-CG2 3.37Å; K265-V269 PolarHBondContact O-N 3.21Å; K265-V269 VanDerWaalsContact O-N 3.14Å; T266-V269 PolarHBondContact O-N 3.21Å; V269-M271 PolarHBondContact O-N 2.9Å; V269-G272 PolarHBondContact O-N 3.45Å; V269-V273 HydrophobicContact CG1-CG2 4.2Å; V269-V273 WeakPolarHBondContact O-CG2 3.42Å; V269-V273 PolarHBondContact O-N 3.14Å
270I72.6Confident73.6Confident19 Ų1953 Ų5310%0.09730%0.297CS..Hα-helixtrans-53.3-46174.4-65.4167000110.5L113 T266 L267 F274 I324L113-I270 HydrophobicContact CD2-CG2 4.22Å; T266-I270 WeakPolarHBondContact O-CG1 3.47Å; T266-I270 PolarHBondContact O-N 2.89Å; T266-I270 VanDerWaalsContact O-N 3.12Å; L267-I270 HydrophobicContact CD2-CD1 4.11Å; L267-I270 WeakPolarHBondContact O-CB 3.43Å; L267-I270 PolarHBondContact O-N 2.83Å; I270-F274 WeakPolarHBondContact O-CB 3.35Å; I270-F274 PolarHBondContact O-N 3.48Å; I270-I324 HydrophobicContact CB-CG2 4.46Å; I270-I324 HydrophobicContact CD1-CG2 3.77Å; I270-I324 HydrophobicContact CG1-CB 4.2Å; I270-I324 HydrophobicContact CG1-CD1 4.21Å; I270-I324 HydrophobicContact CG1-CG2 3.16Å
271M73.1Confident74.9Confident19 Ų1949.5 Ų49.59%0.09428%0.28CS..Hα-helixtrans-71.7-39.2-178.4-62.3-41.2-174.100114.4S117 M206 Y210 L267 S268 V269 F274 V275S117-M271 WeakPolarHBondContact OG-CE 3.35Å; M206-M271 HydrophobicContact CE-CE 3.45Å; M206-M271 VanDerWaalsContact CE-CE 3.45Å; M206-M271 HydrophobicContact CE-SD 3.11Å; M206-M271 WeakPolarHBondContact CE-SD 3.37Å; M206-M271 HydrophobicContact CG-CE 4.45Å; Y210-M271 HydrophobicContact CD1-CG 3.84Å; Y210-M271 HydrophobicContact CD2-CE 3.98Å; Y210-M271 HydrophobicContact CD2-CG 3.83Å; Y210-M271 HydrophobicContact CE1-CE 4.44Å; Y210-M271 HydrophobicContact CE1-CG 3.53Å; Y210-M271 HydrophobicContact CE2-CE 3.1Å; Y210-M271 HydrophobicContact CE2-CG 3.58Å; Y210-M271 HydrophobicContact CE2-SD 4.13Å; Y210-M271 HydrophobicContact CG-CG 3.95Å; Y210-M271 VanDerWaalsContact OH-CE 3.25Å; Y210-M271 WeakPolarHBondContact OH-CE 3.37Å; L267-M271 PolarHBondContact O-N 3.4Å; S268-M271 PolarHBondContact O-N 3.34Å; V269-M271 PolarHBondContact O-N 2.9Å; M271-F274 PolarHBondContact O-N 2.89Å; M271-V275 WeakPolarHBondContact O-CG2 3.18Å; M271-V275 PolarHBondContact O-N 3.49Å
272G78.7Confident76.4Confident36 Ų3647.6 Ų47.637%0.37127%0.267SS..Hα-helixtrans-60.4-49174.300000111.5S268 V269 F274 V275 C276S268-G272 PolarHBondContact O-N 3.31Å; V269-G272 PolarHBondContact O-N 3.45Å; G272-F274 PolarHBondContact O-N 3.12Å; G272-V275 PolarHBondContact O-N 2.88Å; G272-C276 WeakPolarHBondContact O-CB 3.42Å; G272-C276 PolarHBondContact O-N 2.95Å; G272-C276 PolarHBondContact O-SG 3.01Å
273V84.2Confident77.6Confident39 Ų3943.8 Ų43.824%0.23625%0.253CS..Hα-helixtrans-59.9-47.7179.1172.60000110.9V269 V275 C276 C277 L320 I324V269-V273 HydrophobicContact CG1-CG2 4.2Å; V269-V273 WeakPolarHBondContact O-CG2 3.42Å; V269-V273 PolarHBondContact O-N 3.14Å; V273-V275 PolarHBondContact O-N 3.25Å; V273-C276 PolarHBondContact O-N 3.46Å; V273-C277 WeakPolarHBondContact O-CB 3.27Å; V273-C277 PolarHBondContact O-N 3.35Å; V273-C277 PolarHBondContact O-SG 3.44Å; V273-C277 VanDerWaalsContact O-SG 3.33Å; V273-L320 HydrophobicContact CG1-CB 4.29Å; V273-L320 HydrophobicContact CG1-CD1 3.5Å; V273-I324 HydrophobicContact CG1-CD1 4.47Å
274F83.8Confident78.7Confident0 Ų041.4 Ų41.40%024%0.238CC..Hα-helixtrans-56.7-50.8178.7171.5-104.9000113I110 L113 F199 V203 M206 I270 M271 G272 C276 C277 W278 N317I110-F274 HydrophobicContact CB-CE2 4.35Å; I110-F274 HydrophobicContact CB-CZ 4.09Å; I110-F274 HydrophobicContact CG1-CE2 3.75Å; I110-F274 HydrophobicContact CG1-CZ 3.73Å; I110-F274 HydrophobicContact CG2-CE2 4.41Å; I110-F274 HydrophobicContact CG2-CZ 3.68Å; L113-F274 HydrophobicContact CD1-CB 4.36Å; L113-F274 HydrophobicContact CD1-CD2 3.21Å; L113-F274 HydrophobicContact CD1-CE2 3.59Å; L113-F274 HydrophobicContact CD1-CG 3.86Å; L113-F274 HydrophobicContact CD1-CZ 4.5Å; F199-F274 HydrophobicContact CD2-CZ 4.36Å; F199-F274 HydrophobicContact CE2-CE1 4.31Å; F199-F274 HydrophobicContact CE2-CZ 4.24Å; V203-F274 HydrophobicContact CG2-CE1 3.74Å; V203-F274 HydrophobicContact CG2-CZ 4.46Å; M206-F274 HydrophobicContact CE-CD1 3.48Å; M206-F274 VanDerWaalsContact CE-CD1 3.48Å; M206-F274 HydrophobicContact CE-CE1 3.72Å; M206-F274 HydrophobicContact CE-CG 4.19Å; M206-F274 HydrophobicContact SD-CD1 4.2Å; M206-F274 HydrophobicContact SD-CE1 3.82Å; I270-F274 WeakPolarHBondContact O-CB 3.35Å; I270-F274 PolarHBondContact O-N 3.48Å; M271-F274 PolarHBondContact O-N 2.89Å; G272-F274 PolarHBondContact O-N 3.12Å; F274-C276 PolarHBondContact O-N 2.91Å; F274-C277 PolarHBondContact O-N 3.46Å; F274-W278 AromaticContact CD2-CD1 3.51Å; F274-W278 AromaticContact CE2-CD1 3.32Å; F274-W278 HydrophobicContact CE2-CG 4.06Å; F274-W278 AromaticContact CE2-NE1 3.77Å; F274-W278 PolarHBondContact O-N 2.86Å; F274-W278 VanDerWaalsContact O-N 3.11Å; F274-N317 WeakPolarHBondContact CA-OD1 3.28Å
275V84.5Confident79.7Confident36 Ų3640.3 Ų40.322%0.21823%0.232CC..Hα-helixtrans-64.4-42.3179.8174.30000110.5V203 M271 G272 V273 C277 W278 L279V203-V275 HydrophobicContact CG1-CG2 4.32Å; M271-V275 WeakPolarHBondContact O-CG2 3.18Å; M271-V275 PolarHBondContact O-N 3.49Å; G272-V275 PolarHBondContact O-N 2.88Å; V273-V275 PolarHBondContact O-N 3.25Å; V275-C277 VanDerWaalsContact C-N 3.32Å; V275-C277 PolarHBondContact O-N 3.39Å; V275-W278 PolarHBondContact O-N 3.05Å; V275-L279 HydrophobicContact CG1-CB 4.1Å; V275-L279 HydrophobicContact CG1-CD2 4.04Å; V275-L279 WeakPolarHBondContact O-CB 3.5Å; V275-L279 PolarHBondContact O-N 3.03Å
276C86.5Confident80.6Confident91 Ų9133.9 Ų33.962%0.61521%0.207SC*.Hα-helixtrans-64-35.5178.9-71.60000113.2G272 V273 F274 P280G272-C276 WeakPolarHBondContact O-CB 3.42Å; G272-C276 PolarHBondContact O-N 2.95Å; G272-C276 PolarHBondContact O-SG 3.01Å; V273-C276 PolarHBondContact O-N 3.46Å; F274-C276 PolarHBondContact O-N 2.91Å; C276-P280 VanDerWaalsContact O-CD 3.27Å; C276-P280 WeakPolarHBondContact O-CD 3.47Å
277C87.6Confident81.3Confident10 Ų1036.6 Ų36.67%0.06822%0.218CC..Hα-helixtrans-72.8-41.5178.6-75.20000112.7V273 F274 V275 F313 G314 N317V273-C277 WeakPolarHBondContact O-CB 3.27Å; V273-C277 PolarHBondContact O-N 3.35Å; V273-C277 PolarHBondContact O-SG 3.44Å; V273-C277 VanDerWaalsContact O-SG 3.33Å; F274-C277 PolarHBondContact O-N 3.46Å; V275-C277 VanDerWaalsContact C-N 3.32Å; V275-C277 PolarHBondContact O-N 3.39Å; C277-F313 WeakPolarHBondContact CB-O 3.48Å; C277-F313 CarbonylContact O-C 3.54Å; C277-G314 PolarHBondContact O-N 3.4Å; C277-N317 HydrophobicContact CB-CB 3.88Å
278W87.4Confident81.7Confident8 Ų838.7 Ų38.73%0.0323%0.231CC..Hα-helixtrans-99.4-31.2-170.3-78.2102.5000114.9S106 F199 F274 V275 P280 F281 F282 G314 N317S106-W278 WeakPolarHBondContact OG-CH2 3.28Å; F199-W278 HydrophobicContact CD2-CB 4.11Å; F199-W278 HydrophobicContact CE2-CB 3.44Å; F199-W278 VanDerWaalsContact CE2-CB 3.44Å; F199-W278 HydrophobicContact CE2-CG 4.46Å; F199-W278 HydrophobicContact CZ-CB 4.15Å; F274-W278 AromaticContact CD2-CD1 3.51Å; F274-W278 AromaticContact CE2-CD1 3.32Å; F274-W278 HydrophobicContact CE2-CG 4.06Å; F274-W278 AromaticContact CE2-NE1 3.77Å; F274-W278 PolarHBondContact O-N 2.86Å; F274-W278 VanDerWaalsContact O-N 3.11Å; V275-W278 PolarHBondContact O-N 3.05Å; W278-P280 VanDerWaalsContact C-CD 3.49Å; W278-F281 HydrophobicContact CE3-CD1 4.02Å; W278-F281 HydrophobicContact CZ3-CD1 4.06Å; W278-F281 HydrophobicContact CZ3-CE1 4.34Å; W278-F281 PolarHBondContact O-N 2.71Å; W278-F282 HydrophobicContact CB-CD2 4.18Å; W278-F282 HydrophobicContact CB-CE2 4.3Å; W278-F282 HydrophobicContact CD2-CE2 4.12Å; W278-F282 HydrophobicContact CE3-CD2 4.03Å; W278-F282 AromaticContact CE3-CE2 3.4Å; W278-F282 HydrophobicContact CE3-CE2 3.4Å; W278-F282 HydrophobicContact CE3-CZ 4.26Å; W278-F282 HydrophobicContact CZ3-CE2 4.04Å; W278-F282 HydrophobicContact CZ3-CZ 4.49Å; W278-F282 WeakPolarHBondContact O-CD2 3.28Å; W278-F282 PolarHBondContact O-N 3.14Å; W278-F282 VanDerWaalsContact O-N 3.09Å; W278-G314 WeakPolarHBondContact CZ2-O 3.29Å; W278-G314 PolarHBondContact NE1-O 3.42Å; W278-N317 PolarHBondContact NE1-ND2 3.24Å
279L88.1Confident82.1Confident62 Ų6236.9 Ų36.933%0.32522%0.218SC..Hα-helixtrans-57.5-44-175.9-17965.2000113.3F199 V275 F281 F282 I283F199-L279 HydrophobicContact CE1-CD1 3.87Å; F199-L279 HydrophobicContact CZ-CB 4.06Å; F199-L279 HydrophobicContact CZ-CD1 4.11Å; V275-L279 HydrophobicContact CG1-CB 4.1Å; V275-L279 HydrophobicContact CG1-CD2 4.04Å; V275-L279 WeakPolarHBondContact O-CB 3.5Å; V275-L279 PolarHBondContact O-N 3.03Å; L279-F281 PolarHBondContact O-N 2.77Å; L279-F282 PolarHBondContact O-N 3.15Å; L279-I283 HydrophobicContact CD1-CD1 3.97Å; L279-I283 HydrophobicContact CD1-CG1 4.13Å; L279-I283 HydrophobicContact CD2-CD1 4.46Å; L279-I283 HydrophobicContact CG-CD1 3.78Å; L279-I283 HydrophobicContact CG-CG1 4.38Å; L279-I283 VanDerWaalsContact O-CG1 3.28Å; L279-I283 WeakPolarHBondContact O-CG1 3.42Å; L279-I283 PolarHBondContact O-N 3.36Å
280P88.9Confident82.3Confident38 Ų3839.4 Ų39.425%0.24722%0.224CC..Hα-helixtrans-58.8-47.9178.6-24.535.9000111.9C276 W278 F282 I283 L284 F310C276-P280 VanDerWaalsContact O-CD 3.27Å; C276-P280 WeakPolarHBondContact O-CD 3.47Å; W278-P280 VanDerWaalsContact C-CD 3.49Å; P280-F282 PolarHBondContact O-N 3.34Å; P280-I283 PolarHBondContact O-N 3.36Å; P280-L284 WeakPolarHBondContact O-CG 3.38Å; P280-L284 PolarHBondContact O-N 3.25Å; P280-L284 VanDerWaalsContact O-N 3.08Å; P280-F310 HydrophobicContact CB-CD1 3.31Å; P280-F310 HydrophobicContact CB-CE1 3.44Å; P280-F310 VanDerWaalsContact CB-CE1 3.44Å; P280-F310 HydrophobicContact CB-CG 4.06Å; P280-F310 HydrophobicContact CB-CZ 4.27Å; P280-F310 HydrophobicContact CG-CD1 4.19Å; P280-F310 HydrophobicContact CG-CE1 4.15Å
281F86.4Confident82.3Confident26 Ų2640.6 Ų40.611%0.11423%0.234CC..Hα-helixtrans-57.8-49.2178.1168.8-102.2000112.1W278 L279 I283 L284 N285 F307 F310 V311W278-F281 HydrophobicContact CE3-CD1 4.02Å; W278-F281 HydrophobicContact CZ3-CD1 4.06Å; W278-F281 HydrophobicContact CZ3-CE1 4.34Å; W278-F281 PolarHBondContact O-N 2.71Å; L279-F281 PolarHBondContact O-N 2.77Å; F281-I283 VanDerWaalsContact C-N 3.31Å; F281-I283 PolarHBondContact O-N 3.33Å; F281-L284 PolarHBondContact O-N 2.93Å; F281-L284 VanDerWaalsContact O-N 3.12Å; F281-N285 HydrophobicContact CE1-CB 4.45Å; F281-N285 HydrophobicContact CZ-CB 4.33Å; F281-N285 WeakPolarHBondContact O-CB 2.98Å; F281-N285 PolarHBondContact O-N 3.07Å; F281-F307 HydrophobicContact CD2-CE2 4.48Å; F281-F307 HydrophobicContact CD2-CZ 4.36Å; F281-F307 HydrophobicContact CE2-CE1 4.09Å; F281-F307 HydrophobicContact CE2-CE2 4.08Å; F281-F307 AromaticContact CE2-CZ 3.59Å; F281-F307 HydrophobicContact CE2-CZ 3.59Å; F281-F307 HydrophobicContact CZ-CZ 4.42Å; F281-F310 HydrophobicContact CB-CB 4.28Å; F281-V311 HydrophobicContact CD2-CB 4.47Å; F281-V311 HydrophobicContact CD2-CG2 3.62Å; F281-V311 HydrophobicContact CE2-CG2 3.43Å; F281-V311 VanDerWaalsContact CE2-CG2 3.43Å; F281-V311 HydrophobicContact CZ-CG2 4.47Å
282F85.9Confident81.6Confident14 Ų1445.3 Ų45.36%0.06126%0.255CS..Hα-helixtrans-67.2-31.2-177.9-82.4-74.2000113.4I110 F199 Y200 W278 L279 P280 C286I110-F282 HydrophobicContact CD1-CE2 3.9Å; I110-F282 HydrophobicContact CD1-CZ 3.96Å; F199-F282 HydrophobicContact CB-CD1 3.71Å; F199-F282 HydrophobicContact CB-CD2 3.65Å; F199-F282 HydrophobicContact CB-CE1 3.59Å; F199-F282 HydrophobicContact CB-CE2 3.52Å; F199-F282 HydrophobicContact CB-CG 3.75Å; F199-F282 HydrophobicContact CB-CZ 3.5Å; F199-F282 VanDerWaalsContact CB-CZ 3.5Å; F199-F282 HydrophobicContact CD1-CB 3.55Å; F199-F282 HydrophobicContact CD1-CD1 4.15Å; F199-F282 AromaticContact CD1-CD2 3.54Å; F199-F282 HydrophobicContact CD1-CD2 3.54Å; F199-F282 HydrophobicContact CD1-CE2 4.27Å; F199-F282 AromaticContact CD1-CG 3.46Å; F199-F282 HydrophobicContact CD1-CG 3.46Å; F199-F282 VanDerWaalsContact CD1-CG 3.46Å; F199-F282 AromaticContact CD2-CD2 3.27Å; F199-F282 HydrophobicContact CD2-CD2 3.27Å; F199-F282 AromaticContact CD2-CE2 3.36Å; F199-F282 HydrophobicContact CD2-CE2 3.36Å; F199-F282 HydrophobicContact CD2-CG 4.07Å; F199-F282 HydrophobicContact CD2-CZ 4.23Å; F199-F282 HydrophobicContact CE1-CB 3.75Å; F199-F282 AromaticContact CE1-CD2 3.93Å; F199-F282 HydrophobicContact CE1-CD2 3.93Å; F199-F282 HydrophobicContact CE1-CG 4.03Å; F199-F282 AromaticContact CE2-CD2 3.71Å; F199-F282 HydrophobicContact CE2-CD2 3.71Å; F199-F282 HydrophobicContact CE2-CE2 4.11Å; F199-F282 HydrophobicContact CG-CB 4.11Å; F199-F282 HydrophobicContact CG-CD1 4Å; F199-F282 AromaticContact CG-CD2 3.18Å; F199-F282 HydrophobicContact CG-CD2 3.18Å; F199-F282 HydrophobicContact CG-CE1 4.23Å; F199-F282 AromaticContact CG-CE2 3.46Å; F199-F282 HydrophobicContact CG-CE2 3.46Å; F199-F282 VanDerWaalsContact CG-CE2 3.46Å; F199-F282 AromaticContact CG-CG 3.48Å; F199-F282 HydrophobicContact CG-CG 3.48Å; F199-F282 VanDerWaalsContact CG-CG 3.48Å; F199-F282 AromaticContact CG-CZ 4Å; F199-F282 HydrophobicContact CG-CZ 4Å; F199-F282 HydrophobicContact CZ-CB 4.46Å; F199-F282 HydrophobicContact CZ-CD2 4.01Å; Y200-F282 PolarHBondContact OH-O 3.05Å; W278-F282 HydrophobicContact CB-CD2 4.18Å; W278-F282 HydrophobicContact CB-CE2 4.3Å; W278-F282 HydrophobicContact CD2-CE2 4.12Å; W278-F282 HydrophobicContact CE3-CD2 4.03Å; W278-F282 AromaticContact CE3-CE2 3.4Å; W278-F282 HydrophobicContact CE3-CE2 3.4Å; W278-F282 HydrophobicContact CE3-CZ 4.26Å; W278-F282 HydrophobicContact CZ3-CE2 4.04Å; W278-F282 HydrophobicContact CZ3-CZ 4.49Å; W278-F282 WeakPolarHBondContact O-CD2 3.28Å; W278-F282 PolarHBondContact O-N 3.14Å; W278-F282 VanDerWaalsContact O-N 3.09Å; L279-F282 PolarHBondContact O-N 3.15Å; P280-F282 PolarHBondContact O-N 3.34Å; F282-C286 PolarHBondContact O-N 2.97Å; F282-C286 VanDerWaalsContact O-N 3.09Å; F282-C286 PolarHBondContact O-SG 2.72Å
283I86.6Confident80.6Confident70 Ų7049.2 Ų49.236%0.35927%0.274SS..Hα-helixtrans-61.4-50170.1-69.8167.8000109.7L279 P280 F281 N285 C286 M287L279-I283 HydrophobicContact CD1-CD1 3.97Å; L279-I283 HydrophobicContact CD1-CG1 4.13Å; L279-I283 HydrophobicContact CD2-CD1 4.46Å; L279-I283 HydrophobicContact CG-CD1 3.78Å; L279-I283 HydrophobicContact CG-CG1 4.38Å; L279-I283 VanDerWaalsContact O-CG1 3.28Å; L279-I283 WeakPolarHBondContact O-CG1 3.42Å; L279-I283 PolarHBondContact O-N 3.36Å; P280-I283 PolarHBondContact O-N 3.36Å; F281-I283 VanDerWaalsContact C-N 3.31Å; F281-I283 PolarHBondContact O-N 3.33Å; I283-N285 PolarHBondContact O-N 3.41Å; I283-C286 PolarHBondContact O-N 3.35Å; I283-M287 HydrophobicContact CG2-CG 4.34Å; I283-M287 HydrophobicContact CG2-SD 3.67Å; I283-M287 WeakPolarHBondContact O-CB 3.32Å; I283-M287 VanDerWaalsContact O-CG 3.29Å; I283-M287 WeakPolarHBondContact O-CG 3.25Å; I283-M287 PolarHBondContact O-N 2.98Å
284L82.9Confident79.1Confident22 Ų2255.1 Ų55.112%0.11530%0.304CS..Hα-helixtrans-64.7-41.2179.3-56.4-179000111.9P280 F281 C286 M287 V288 I302 F307 F310P280-L284 WeakPolarHBondContact O-CG 3.38Å; P280-L284 PolarHBondContact O-N 3.25Å; P280-L284 VanDerWaalsContact O-N 3.08Å; F281-L284 PolarHBondContact O-N 2.93Å; F281-L284 VanDerWaalsContact O-N 3.12Å; L284-C286 PolarHBondContact O-N 3.39Å; L284-M287 PolarHBondContact O-N 3.41Å; L284-V288 WeakPolarHBondContact O-CB 3.12Å; L284-V288 VanDerWaalsContact O-CG2 3.27Å; L284-V288 WeakPolarHBondContact O-CG2 3.33Å; L284-V288 PolarHBondContact O-N 2.78Å; L284-I302 HydrophobicContact CB-CD1 4.41Å; L284-I302 HydrophobicContact CD2-CD1 3.37Å; L284-I302 HydrophobicContact CD2-CG1 4.18Å; L284-I302 HydrophobicContact CG-CD1 4.3Å; L284-F307 HydrophobicContact CB-CD2 4.18Å; L284-F307 HydrophobicContact CB-CE2 4.45Å; L284-F310 HydrophobicContact CD1-CB 4.12Å; L284-F310 HydrophobicContact CD1-CD2 3.19Å; L284-F310 HydrophobicContact CD1-CE2 3.79Å; L284-F310 HydrophobicContact CD1-CG 3.91Å; L284-F310 HydrophobicContact CG-CD2 4.43Å
285N82.8Confident77.8Confident14 Ų1456.3 Ų56.38%0.07532%0.317CS..Hα-helixtrans-59.9-32.4177.1-169.758.5000112.5S195 F281 I283 P289S195-N285 PolarHBondContact OG-ND2 3.39Å; F281-N285 HydrophobicContact CE1-CB 4.45Å; F281-N285 HydrophobicContact CZ-CB 4.33Å; F281-N285 WeakPolarHBondContact O-CB 2.98Å; F281-N285 PolarHBondContact O-N 3.07Å; I283-N285 PolarHBondContact O-N 3.41Å; N285-P289 WeakPolarHBondContact O-CD 3.49Å; N285-P289 WeakPolarHBondContact O-CG 3.35Å
286C83.8Confident76.1Confident23 Ų2361.3 Ų61.316%0.15535%0.35CS..Hα-helixtrans-80.8-28.7173.5-65.50000113.1F282 I283 L284 F290F282-C286 PolarHBondContact O-N 2.97Å; F282-C286 VanDerWaalsContact O-N 3.09Å; F282-C286 PolarHBondContact O-SG 2.72Å; I283-C286 PolarHBondContact O-N 3.35Å; L284-C286 PolarHBondContact O-N 3.39Å; C286-F290 WeakPolarHBondContact O-CD2 3.18Å; C286-F290 VanDerWaalsContact O-CE2 3.25Å; C286-F290 WeakPolarHBondContact O-CE2 3.42Å
287M80.8Confident74.3Confident96 Ų9660.9 Ų60.947%0.47335%0.348SS..Hα-helixtrans-84.2-43.2-177.2-73.6-178.369.800113.5I283 L284 P289 F290I283-M287 HydrophobicContact CG2-CG 4.34Å; I283-M287 HydrophobicContact CG2-SD 3.67Å; I283-M287 WeakPolarHBondContact O-CB 3.32Å; I283-M287 VanDerWaalsContact O-CG 3.29Å; I283-M287 WeakPolarHBondContact O-CG 3.25Å; I283-M287 PolarHBondContact O-N 2.98Å; L284-M287 PolarHBondContact O-N 3.41Å; M287-P289 VanDerWaalsContact C-CD 3.47Å; M287-P289 VanDerWaalsContact C-N 3.35Å; M287-F290 WeakPolarHBondContact O-CB 3.22Å; M287-F290 PolarHBondContact O-N 2.71Å
288V75.2Confident72.3Confident60 Ų6068.7 Ų68.736%0.36439%0.389SS..G310 helixtrans-54.1-40.1-174.8167.50000113.3L284 F290 C291 I302 F307L284-V288 WeakPolarHBondContact O-CB 3.12Å; L284-V288 VanDerWaalsContact O-CG2 3.27Å; L284-V288 WeakPolarHBondContact O-CG2 3.33Å; L284-V288 PolarHBondContact O-N 2.78Å; V288-F290 PolarHBondContact O-N 3.48Å; V288-F290 VanDerWaalsContact O-N 3.11Å; V288-C291 VanDerWaalsContact O-CB 3.25Å; V288-C291 WeakPolarHBondContact O-CB 3.47Å; V288-C291 PolarHBondContact O-N 2.8Å; V288-I302 HydrophobicContact CG2-CD1 4.1Å; V288-F307 HydrophobicContact CG2-CD2 4.25Å; V288-F307 HydrophobicContact CG2-CE2 4.49Å
289P73.3Confident70.4Confident24 Ų2476.8 Ų76.816%0.15642%0.424CS..G310 helixtrans-64.1-16.1177.1-25.136.1000115.2R188 A191 N285 M287R188-P289 HydrophobicContact CB-CB 4.18Å; R188-P289 HydrophobicContact CG-CB 3.57Å; R188-P289 WeakPolarHBondContact CG-O 3.36Å; R188-P289 PolarHBondContact NE-O 3.45Å; A191-P289 HydrophobicContact CB-CG 3.76Å; N285-P289 WeakPolarHBondContact O-CD 3.49Å; N285-P289 WeakPolarHBondContact O-CG 3.35Å; M287-P289 VanDerWaalsContact C-CD 3.47Å; M287-P289 VanDerWaalsContact C-N 3.35Å
290F74.4Confident68.7Low121 Ų12181.7 Ų81.753%0.53145%0.45SS..G310 helixtrans-97.9-3.1176-61.9-83.5000113.3I192 C286 M287 V288 E292I192-F290 HydrophobicContact CD1-CE2 3.68Å; I192-F290 HydrophobicContact CD1-CZ 3.47Å; I192-F290 VanDerWaalsContact CD1-CZ 3.47Å; I192-F290 HydrophobicContact CG1-CE2 4.26Å; C286-F290 WeakPolarHBondContact O-CD2 3.18Å; C286-F290 VanDerWaalsContact O-CE2 3.25Å; C286-F290 WeakPolarHBondContact O-CE2 3.42Å; M287-F290 WeakPolarHBondContact O-CB 3.22Å; M287-F290 PolarHBondContact O-N 2.71Å; V288-F290 PolarHBondContact O-N 3.48Å; V288-F290 VanDerWaalsContact O-N 3.11Å; F290-E292 PolarHBondContact O-N 3.09Å
291C72.6Confident67.7Low44 Ų4482.5 Ų82.530%0.29746%0.456SS..  trans-73.1107.3173.1-76.80000109.5V288 C301V288-C291 VanDerWaalsContact O-CB 3.25Å; V288-C291 WeakPolarHBondContact O-CB 3.47Å; V288-C291 PolarHBondContact O-N 2.8Å; C291-C301 HydrophobicContact CB-CB 4.2Å; C291-C301 WeakPolarHBondContact CB-SG 3.48Å
292E60Low66.9Low118 Ų11883.6 Ų83.655%0.55146%0.463SS*.  trans-90.2123.9172-73.1-175170.700109.9R188 F290 N294R188-E292 IonicContact NH2-OE1 2.77Å; F290-E292 PolarHBondContact O-N 3.09Å; E292-N294 PolarHBondContact O-N 3.37Å
293P56.9Low66.4Low118 Ų11886.4 Ų86.477%0.76648%0.484SS*.THydrogen-bonded Turntrans-59.6-19.9179.8-2432.5000114.6
294N53.7Low65.6Low163 Ų16387 Ų8787%0.87249%0.493SS*.THydrogen-bonded Turntrans-132.219.2-171.1-63.1-35.4000113.9E292E292-N294 PolarHBondContact O-N 3.37Å
295G55.4Low65.3Low25 Ų2587.9 Ų87.926%0.25851%0.507SS..  trans-75.8155.8178.200000112.8S297G295-S297 PolarHBondContact O-N 3.12Å
296P49.7Very low65.2Low140 Ų14090.2 Ų90.291%0.90952%0.522SS*.SBendtrans-73.516-178.131.5-35.3000113.9
297S48.2Very low65Low82 Ų8290.5 Ų90.557%0.57352%0.52SS*.SBendtrans-115.7115.5-179-390000107.8G295 F299G295-S297 PolarHBondContact O-N 3.12Å; S297-F299 PolarHBondContact O-N 3.38Å
298D44.4Very low65Low175 Ų17586.5 Ų86.594%0.93650%0.501SS*.  trans-65.737.5170.7-69.1-42.8000112.8L300D298-L300 VanDerWaalsContact C-N 3.31Å; D298-L300 PolarHBondContact O-N 3.26Å
299F47.3Very low65.6Low177 Ų17786.2 Ų86.278%0.77650%0.499SS*.  trans-74.395.5163.6-92.9-78.1000107.3S297 C301S297-F299 PolarHBondContact O-N 3.38Å; F299-C301 PolarHBondContact O-N 3.45Å
300L52.9Low66.2Low165 Ų16588 Ų8886%0.86450%0.504SS*.  trans-49.6106.6175.7-157.195.4000109D298 I302D298-L300 VanDerWaalsContact C-N 3.31Å; D298-L300 PolarHBondContact O-N 3.26Å; L300-I302 PolarHBondContact O-N 3.08Å
301C67.7Low66.8Low56 Ų5682.8 Ų82.838%0.37848%0.483SS..PPolyproline II helixtrans-55.3136.3174.1-63.30000108.5C291 F299 S303C291-C301 HydrophobicContact CB-CB 4.2Å; C291-C301 WeakPolarHBondContact CB-SG 3.48Å; F299-C301 PolarHBondContact O-N 3.45Å; C301-S303 PolarHBondContact O-N 3.3Å
302I70.9Confident67.6Low49 Ų4982.1 Ų82.125%0.25147%0.474SS..PPolyproline II helixtrans-62.5132.7-174.3-66.2138.4000109.4L284 V288 L300 T306L284-I302 HydrophobicContact CB-CD1 4.41Å; L284-I302 HydrophobicContact CD2-CD1 3.37Å; L284-I302 HydrophobicContact CD2-CG1 4.18Å; L284-I302 HydrophobicContact CG-CD1 4.3Å; V288-I302 HydrophobicContact CG2-CD1 4.1Å; L300-I302 PolarHBondContact O-N 3.08Å; I302-T306 HydrophobicContact CG2-CG2 3.74Å
303S75.1Confident68.9Low72 Ų7281.7 Ų81.750%0.50347%0.47SS..PPolyproline II helixtrans-59.2138.9174178.90000110.4C301 G305 T306 F307C301-S303 PolarHBondContact O-N 3.3Å; S303-G305 PolarHBondContact O-N 3.27Å; S303-G305 VanDerWaalsContact O-N 3.17Å; S303-T306 WeakPolarHBondContact O-CB 3.24Å; S303-T306 PolarHBondContact O-N 3.34Å; S303-F307 PolarHBondContact O-N 3.23Å
304P70.3Confident70.3Confident83 Ų8376 Ų7654%0.53943%0.434SS..Hα-helixtrans-49.5-42.6177-29.235.2000113.1T306 F307 D308P304-T306 VanDerWaalsContact C-N 3.27Å; P304-T306 PolarHBondContact O-N 3.03Å; P304-F307 WeakPolarHBondContact O-CA 3.42Å; P304-F307 WeakPolarHBondContact O-CB 3.45Å; P304-F307 PolarHBondContact O-N 2.89Å; P304-D308 PolarHBondContact O-N 2.9Å; P304-D308 VanDerWaalsContact O-OD2 3.14Å
305G75.4Confident72Confident40 Ų4068.4 Ų68.441%0.41239%0.393SS..Hα-helixtrans-62.6-30.2178.100000114.2S303 V309S303-G305 PolarHBondContact O-N 3.27Å; S303-G305 VanDerWaalsContact O-N 3.17Å; G305-V309 VanDerWaalsContact O-CG2 3.24Å; G305-V309 WeakPolarHBondContact O-CG2 3.11Å; G305-V309 PolarHBondContact O-N 3Å; G305-V309 VanDerWaalsContact O-N 3.09Å
306T80.5Confident73.6Confident63 Ų6368.2 Ų68.239%0.38739%0.389SS..Hα-helixtrans-70.3-39.6173.6-60.60000110.8I302 S303 P304 V309 F310I302-T306 HydrophobicContact CG2-CG2 3.74Å; S303-T306 WeakPolarHBondContact O-CB 3.24Å; S303-T306 PolarHBondContact O-N 3.34Å; P304-T306 VanDerWaalsContact C-N 3.27Å; P304-T306 PolarHBondContact O-N 3.03Å; T306-V309 PolarHBondContact O-N 3.09Å; T306-F310 HydrophobicContact CG2-CD2 3.94Å; T306-F310 HydrophobicContact CG2-CE2 3.63Å; T306-F310 WeakPolarHBondContact O-CD2 3.31Å; T306-F310 PolarHBondContact O-N 3.25Å
307F80.7Confident75.5Confident30 Ų3061.6 Ų61.613%0.13235%0.345CS..Hα-helixtrans-62.4-47.1175.8-175.4-92.4000111F281 L284 V288 S303 P304 V309 F310 V311F281-F307 HydrophobicContact CD2-CE2 4.48Å; F281-F307 HydrophobicContact CD2-CZ 4.36Å; F281-F307 HydrophobicContact CE2-CE1 4.09Å; F281-F307 HydrophobicContact CE2-CE2 4.08Å; F281-F307 AromaticContact CE2-CZ 3.59Å; F281-F307 HydrophobicContact CE2-CZ 3.59Å; F281-F307 HydrophobicContact CZ-CZ 4.42Å; L284-F307 HydrophobicContact CB-CD2 4.18Å; L284-F307 HydrophobicContact CB-CE2 4.45Å; V288-F307 HydrophobicContact CG2-CD2 4.25Å; V288-F307 HydrophobicContact CG2-CE2 4.49Å; S303-F307 PolarHBondContact O-N 3.23Å; P304-F307 WeakPolarHBondContact O-CA 3.42Å; P304-F307 WeakPolarHBondContact O-CB 3.45Å; P304-F307 PolarHBondContact O-N 2.89Å; F307-V309 PolarHBondContact O-N 3.34Å; F307-F310 PolarHBondContact O-N 3.09Å; F307-F310 VanDerWaalsContact O-N 3.11Å; F307-V311 HydrophobicContact CD1-CG2 4.03Å; F307-V311 HydrophobicContact CE1-CG2 3.83Å; F307-V311 WeakPolarHBondContact O-CG2 3.25Å; F307-V311 PolarHBondContact O-N 3.32Å
308D81.3Confident77.4Confident12 Ų1257.7 Ų57.76%0.06432%0.319CS..Hα-helixtrans-61.3-41.1178.3-65.9-45.3000112.3K80 P304 F310 V311 W312K80-D308 WeakPolarHBondContact CE-OD1 3.28Å; K80-D308 IonicContact NZ-OD1 2.7Å; K80-D308 PolarHBondContact NZ-OD1 2.86Å; P304-D308 PolarHBondContact O-N 2.9Å; P304-D308 VanDerWaalsContact O-OD2 3.14Å; D308-F310 VanDerWaalsContact C-N 3.29Å; D308-F310 PolarHBondContact O-N 3.23Å; D308-V311 WeakPolarHBondContact O-CB 3.35Å; D308-V311 PolarHBondContact O-N 3.44Å; D308-V311 VanDerWaalsContact O-N 3.15Å; D308-W312 HydrophobicContact CB-CZ2 4.02Å; D308-W312 PolarHBondContact O-N 2.92Å; D308-W312 PolarHBondContact O-NE1 2.85Å
309V86.2Confident79.6Confident54 Ų5450.3 Ų50.333%0.32728%0.28SS..Hα-helixtrans-56.8-45174.21670000110.9G305 T306 F307 W312 F313G305-V309 VanDerWaalsContact O-CG2 3.24Å; G305-V309 WeakPolarHBondContact O-CG2 3.11Å; G305-V309 PolarHBondContact O-N 3Å; G305-V309 VanDerWaalsContact O-N 3.09Å; T306-V309 PolarHBondContact O-N 3.09Å; F307-V309 PolarHBondContact O-N 3.34Å; V309-W312 HydrophobicContact CG2-CE3 4.09Å; V309-W312 HydrophobicContact CG2-CH2 4.49Å; V309-W312 HydrophobicContact CG2-CZ3 3.86Å; V309-W312 WeakPolarHBondContact O-CB 3.44Å; V309-W312 PolarHBondContact O-N 2.87Å; V309-W312 VanDerWaalsContact O-N 3.14Å; V309-F313 HydrophobicContact CG1-CD2 3.96Å; V309-F313 HydrophobicContact CG1-CE2 3.93Å; V309-F313 WeakPolarHBondContact O-CD2 3.49Å; V309-F313 PolarHBondContact O-N 3.26Å
310F87.3Confident81.7Confident60 Ų6044.5 Ų44.526%0.26326%0.257SS..Hα-helixtrans-71.3-29.3179.2-73.1-63.5000113.5P280 F281 L284 T306 F307 D308 W312 F313 G314P280-F310 HydrophobicContact CB-CD1 3.31Å; P280-F310 HydrophobicContact CB-CE1 3.44Å; P280-F310 VanDerWaalsContact CB-CE1 3.44Å; P280-F310 HydrophobicContact CB-CG 4.06Å; P280-F310 HydrophobicContact CB-CZ 4.27Å; P280-F310 HydrophobicContact CG-CD1 4.19Å; P280-F310 HydrophobicContact CG-CE1 4.15Å; F281-F310 HydrophobicContact CB-CB 4.28Å; L284-F310 HydrophobicContact CD1-CB 4.12Å; L284-F310 HydrophobicContact CD1-CD2 3.19Å; L284-F310 HydrophobicContact CD1-CE2 3.79Å; L284-F310 HydrophobicContact CD1-CG 3.91Å; L284-F310 HydrophobicContact CG-CD2 4.43Å; T306-F310 HydrophobicContact CG2-CD2 3.94Å; T306-F310 HydrophobicContact CG2-CE2 3.63Å; T306-F310 WeakPolarHBondContact O-CD2 3.31Å; T306-F310 PolarHBondContact O-N 3.25Å; F307-F310 PolarHBondContact O-N 3.09Å; F307-F310 VanDerWaalsContact O-N 3.11Å; D308-F310 VanDerWaalsContact C-N 3.29Å; D308-F310 PolarHBondContact O-N 3.23Å; F310-W312 VanDerWaalsContact C-N 3.32Å; F310-F313 PolarHBondContact O-N 2.97Å; F310-G314 PolarHBondContact O-N 3.42Å; F310-G314 VanDerWaalsContact O-N 3.07Å
311V85.4Confident83.3Confident13 Ų1336.9 Ų36.98%0.07922%0.217CC..Hα-helixtrans-59-46.2166.4173.10000110.1F281 F307 D308 F313 G314 W315F281-V311 HydrophobicContact CD2-CB 4.47Å; F281-V311 HydrophobicContact CD2-CG2 3.62Å; F281-V311 HydrophobicContact CE2-CG2 3.43Å; F281-V311 VanDerWaalsContact CE2-CG2 3.43Å; F281-V311 HydrophobicContact CZ-CG2 4.47Å; F307-V311 HydrophobicContact CD1-CG2 4.03Å; F307-V311 HydrophobicContact CE1-CG2 3.83Å; F307-V311 WeakPolarHBondContact O-CG2 3.25Å; F307-V311 PolarHBondContact O-N 3.32Å; D308-V311 WeakPolarHBondContact O-CB 3.35Å; D308-V311 PolarHBondContact O-N 3.44Å; D308-V311 VanDerWaalsContact O-N 3.15Å; V311-F313 VanDerWaalsContact C-N 3.31Å; V311-F313 PolarHBondContact O-N 2.79Å; V311-G314 WeakPolarHBondContact O-CA 3.27Å; V311-G314 PolarHBondContact O-N 3.09Å; V311-W315 HydrophobicContact CG1-CD2 4.12Å; V311-W315 HydrophobicContact CG1-CE3 4.5Å; V311-W315 HydrophobicContact CG1-CH2 3.84Å; V311-W315 HydrophobicContact CG1-CZ2 3.39Å; V311-W315 HydrophobicContact CG1-CZ3 4.38Å; V311-W315 PolarHBondContact O-N 3.04Å
312W89.6Confident84.3Confident29 Ų2934.7 Ų34.711%0.1120%0.203CC..Hα-helixtrans-64.9-34.6179-51.8-16.6000112.4T25 F28 L29 E84 D308 V309 F310 G314 W315 A316T25-W312 HydrophobicContact CG2-CH2 3.37Å; T25-W312 HydrophobicContact CG2-CZ2 3.73Å; T25-W312 HydrophobicContact CG2-CZ3 4.09Å; F28-W312 HydrophobicContact CD1-CE3 4.23Å; F28-W312 HydrophobicContact CE1-CB 4.21Å; F28-W312 HydrophobicContact CE1-CE3 4.05Å; L29-W312 HydrophobicContact CD1-CZ2 4.38Å; L29-W312 HydrophobicContact CD2-CD2 3.91Å; L29-W312 HydrophobicContact CD2-CG 3.84Å; E84-W312 HydrophobicContact CG-CZ2 4.03Å; D308-W312 HydrophobicContact CB-CZ2 4.02Å; D308-W312 PolarHBondContact O-N 2.92Å; D308-W312 PolarHBondContact O-NE1 2.85Å; V309-W312 HydrophobicContact CG2-CE3 4.09Å; V309-W312 HydrophobicContact CG2-CH2 4.49Å; V309-W312 HydrophobicContact CG2-CZ3 3.86Å; V309-W312 WeakPolarHBondContact O-CB 3.44Å; V309-W312 PolarHBondContact O-N 2.87Å; V309-W312 VanDerWaalsContact O-N 3.14Å; F310-W312 VanDerWaalsContact C-N 3.32Å; W312-G314 VanDerWaalsContact C-N 3.32Å; W312-W315 AromaticContact CD1-CE3 3.7Å; W312-W315 AromaticContact CD1-CZ3 3.35Å; W312-W315 HydrophobicContact CG-CE3 4.41Å; W312-W315 HydrophobicContact CG-CZ3 4.37Å; W312-W315 AromaticContact NE1-CZ3 3.92Å; W312-W315 PolarHBondContact O-N 3.32Å; W312-A316 WeakPolarHBondContact O-CB 3.37Å; W312-A316 PolarHBondContact O-N 2.97Å
313F87.8Confident85.1Confident109 Ų10937 Ų3748%0.47822%0.215SC..Hα-helixtrans-62-39.4170.9-93.5-96.2000112.1C277 V309 F310 V311 A316C277-F313 WeakPolarHBondContact CB-O 3.48Å; C277-F313 CarbonylContact O-C 3.54Å; V309-F313 HydrophobicContact CG1-CD2 3.96Å; V309-F313 HydrophobicContact CG1-CE2 3.93Å; V309-F313 WeakPolarHBondContact O-CD2 3.49Å; V309-F313 PolarHBondContact O-N 3.26Å; F310-F313 PolarHBondContact O-N 2.97Å; V311-F313 VanDerWaalsContact C-N 3.31Å; V311-F313 PolarHBondContact O-N 2.79Å; F313-A316 WeakPolarHBondContact O-CB 3.49Å; F313-A316 PolarHBondContact O-N 3Å
314G87.2Confident85.6Confident0 Ų034.1 Ų34.10%019%0.193CC..Hα-helixtrans-58.4-48.2171.600000111.6C277 W278 F310 V311 W312 A316 N317C277-G314 PolarHBondContact O-N 3.4Å; W278-G314 WeakPolarHBondContact CZ2-O 3.29Å; W278-G314 PolarHBondContact NE1-O 3.42Å; F310-G314 PolarHBondContact O-N 3.42Å; F310-G314 VanDerWaalsContact O-N 3.07Å; V311-G314 WeakPolarHBondContact O-CA 3.27Å; V311-G314 PolarHBondContact O-N 3.09Å; W312-G314 VanDerWaalsContact C-N 3.32Å; G314-A316 VanDerWaalsContact C-N 3.34Å; G314-A316 PolarHBondContact O-N 3.11Å; G314-N317 WeakPolarHBondContact O-CB 3.28Å; G314-N317 PolarHBondContact O-N 3.47Å
315W88.1Confident86.3Confident3 Ų331.3 Ų31.31%0.01117%0.172CC..Hα-helixtrans-65.5-33176.3-65.3-18.3000114.1L29 L32 V72 V76 M77 K80 V311 W312 N317 S318L29-W315 HydrophobicContact CD2-CE3 4.49Å; L29-W315 HydrophobicContact CD2-CZ3 4.19Å; L32-W315 HydrophobicContact CD2-CB 4.03Å; V72-W315 HydrophobicContact CG1-CG 4.48Å; V76-W315 HydrophobicContact CG1-CZ2 4.01Å; M77-W315 HydrophobicContact CE-CB 3.72Å; M77-W315 HydrophobicContact CE-CG 4.07Å; M77-W315 HydrophobicContact CG-CD2 4.06Å; M77-W315 HydrophobicContact CG-CE3 4.14Å; M77-W315 HydrophobicContact CG-CG 4.34Å; K80-W315 HydrophobicContact CB-CH2 3.73Å; K80-W315 HydrophobicContact CB-CZ2 4.34Å; K80-W315 HydrophobicContact CG-CH2 3.51Å; K80-W315 HydrophobicContact CG-CZ2 4.21Å; V311-W315 HydrophobicContact CG1-CD2 4.12Å; V311-W315 HydrophobicContact CG1-CE3 4.5Å; V311-W315 HydrophobicContact CG1-CH2 3.84Å; V311-W315 HydrophobicContact CG1-CZ2 3.39Å; V311-W315 HydrophobicContact CG1-CZ3 4.38Å; V311-W315 PolarHBondContact O-N 3.04Å; W312-W315 AromaticContact CD1-CE3 3.7Å; W312-W315 AromaticContact CD1-CZ3 3.35Å; W312-W315 HydrophobicContact CG-CE3 4.41Å; W312-W315 HydrophobicContact CG-CZ3 4.37Å; W312-W315 AromaticContact NE1-CZ3 3.92Å; W312-W315 PolarHBondContact O-N 3.32Å; W315-N317 PolarHBondContact O-N 3.23Å; W315-N317 VanDerWaalsContact O-N 3.15Å; W315-S318 WeakPolarHBondContact O-CB 3.38Å; W315-S318 PolarHBondContact O-N 2.81Å
316A89.2Confident86.9Confident20 Ų2030.9 Ų30.917%0.16517%0.165CC..Hα-helixtrans-58.3-28.3176.100000111.5L32 W312 F313 G314 S318 S319 L320L32-A316 HydrophobicContact CD1-CB 4.32Å; W312-A316 WeakPolarHBondContact O-CB 3.37Å; W312-A316 PolarHBondContact O-N 2.97Å; F313-A316 WeakPolarHBondContact O-CB 3.49Å; F313-A316 PolarHBondContact O-N 3Å; G314-A316 VanDerWaalsContact C-N 3.34Å; G314-A316 PolarHBondContact O-N 3.11Å; A316-S318 VanDerWaalsContact C-N 3.29Å; A316-S318 PolarHBondContact O-N 3.29Å; A316-S319 WeakPolarHBondContact O-CB 3.4Å; A316-S319 PolarHBondContact O-N 3.04Å; A316-S319 PolarHBondContact O-OG 2.83Å; A316-L320 VanDerWaalsContact O-CG 3.3Å; A316-L320 WeakPolarHBondContact O-CG 3.44Å; A316-L320 PolarHBondContact O-N 2.95Å
317N89.3Confident87Confident1 Ų134 Ų341%0.00517%0.173CC..Hα-helixtrans-51.9-46.7171.8-177.168.7000112.5F274 C277 W278 G314 W315 S319 L320 N321F274-N317 WeakPolarHBondContact CA-OD1 3.28Å; C277-N317 HydrophobicContact CB-CB 3.88Å; W278-N317 PolarHBondContact NE1-ND2 3.24Å; G314-N317 WeakPolarHBondContact O-CB 3.28Å; G314-N317 PolarHBondContact O-N 3.47Å; W315-N317 PolarHBondContact O-N 3.23Å; W315-N317 VanDerWaalsContact O-N 3.15Å; N317-S319 VanDerWaalsContact C-N 3.26Å; N317-S319 PolarHBondContact O-N 3.11Å; N317-L320 PolarHBondContact O-N 3.01Å; N317-L320 VanDerWaalsContact O-N 3.13Å; N317-N321 PolarHBondContact O-N 2.98Å
318S89.3Confident87.1Confident1 Ų135.7 Ų35.71%0.00718%0.183CC..Hα-helixtrans-64.4-30179.3-64.60000112.8N40 D69 W315 A316N40-S318 PolarHBondContact ND2-O 2.57Å; D69-S318 VanDerWaalsContact OD1-CB 3.28Å; D69-S318 WeakPolarHBondContact OD1-CB 3.41Å; D69-S318 PolarHBondContact OD1-OG 3.47Å; W315-S318 WeakPolarHBondContact O-CB 3.38Å; W315-S318 PolarHBondContact O-N 2.81Å; A316-S318 VanDerWaalsContact C-N 3.29Å; A316-S318 PolarHBondContact O-N 3.29Å
319S90.7Very high87.3Confident19 Ų1937.9 Ų37.913%0.13320%0.203CC..Hα-helixtrans-77-26.917578.40000113.3T36 A316 N317T36-S319 VanDerWaalsContact OG1-CB 3.32Å; T36-S319 WeakPolarHBondContact OG1-CB 3.35Å; A316-S319 WeakPolarHBondContact O-CB 3.4Å; A316-S319 PolarHBondContact O-N 3.04Å; A316-S319 PolarHBondContact O-OG 2.83Å; N317-S319 VanDerWaalsContact C-N 3.26Å; N317-S319 PolarHBondContact O-N 3.11Å
320L90Very high87.3Confident56 Ų5637.9 Ų37.929%0.29320%0.202SC..Hα-helixtrans-81.9-26.6-177.5-68.8171.1000112.5V273 A316 N317 I323 I324V273-L320 HydrophobicContact CG1-CB 4.29Å; V273-L320 HydrophobicContact CG1-CD1 3.5Å; A316-L320 VanDerWaalsContact O-CG 3.3Å; A316-L320 WeakPolarHBondContact O-CG 3.44Å; A316-L320 PolarHBondContact O-N 2.95Å; N317-L320 PolarHBondContact O-N 3.01Å; N317-L320 VanDerWaalsContact O-N 3.13Å; L320-I323 HydrophobicContact CD2-CD1 4.16Å; L320-I323 WeakPolarHBondContact O-CB 3.33Å; L320-I323 PolarHBondContact O-N 3.45Å; L320-I324 WeakPolarHBondContact O-CG1 3.38Å; L320-I324 PolarHBondContact O-N 3.49Å
321N87.3Confident87.4Confident4 Ų435.3 Ų35.32%0.02119%0.19CC..Hα-helixtrans-51.4-49.8-178.3-73.1-26.1000113.8D69 N317 I323 I324 Y325D69-N321 PolarHBondContact OD2-ND2 2.9Å; N317-N321 PolarHBondContact O-N 2.98Å; N321-I323 VanDerWaalsContact C-N 3.33Å; N321-I323 PolarHBondContact O-N 3.2Å; N321-I324 PolarHBondContact O-N 2.73Å; N321-I324 VanDerWaalsContact O-N 3.12Å; N321-Y325 HydrophobicContact CB-CE2 4.23Å; N321-Y325 WeakPolarHBondContact O-CD2 3.43Å; N321-Y325 PolarHBondContact O-N 3.24Å
322P89.3Confident87.6Confident11 Ų1142 Ų427%0.07121%0.214CC..Hα-helixtrans-58.4-38.7175.4-26.235.7000114.4V43 I324 Y325 A326V43-P322 HydrophobicContact CG2-CB 4.02Å; V43-P322 HydrophobicContact CG2-CG 4.18Å; P322-I324 VanDerWaalsContact C-N 3.29Å; P322-I324 PolarHBondContact O-N 2.85Å; P322-Y325 PolarHBondContact O-N 3.03Å; P322-A326 PolarHBondContact O-N 2.98Å; P322-A326 VanDerWaalsContact O-N 3.09Å
323I88.1Confident87.6Confident98 Ų9847.6 Ų47.650%0.50324%0.239SC..Hα-helixtrans-63.9-41.2177.3-62.5169.6000109.4L320 N321 Y325 A326L320-I323 HydrophobicContact CD2-CD1 4.16Å; L320-I323 WeakPolarHBondContact O-CB 3.33Å; L320-I323 PolarHBondContact O-N 3.45Å; N321-I323 VanDerWaalsContact C-N 3.33Å; N321-I323 PolarHBondContact O-N 3.2Å; I323-Y325 VanDerWaalsContact C-N 3.33Å; I323-Y325 PolarHBondContact O-N 3.45Å; I323-A326 WeakPolarHBondContact O-CB 3.49Å; I323-A326 PolarHBondContact O-N 3.03Å; I323-A326 VanDerWaalsContact O-N 3.15Å
324I85.3Confident87.7Confident10 Ų1042.4 Ų42.45%0.05122%0.217CC..Hα-helixtrans-66.9-38.7179.8-55.1161.5000111.1T266 I270 V273 L320 N321 P322 A326 F327T266-I324 HydrophobicContact CG2-CG2 4.24Å; I270-I324 HydrophobicContact CB-CG2 4.46Å; I270-I324 HydrophobicContact CD1-CG2 3.77Å; I270-I324 HydrophobicContact CG1-CB 4.2Å; I270-I324 HydrophobicContact CG1-CD1 4.21Å; I270-I324 HydrophobicContact CG1-CG2 3.16Å; V273-I324 HydrophobicContact CG1-CD1 4.47Å; L320-I324 WeakPolarHBondContact O-CG1 3.38Å; L320-I324 PolarHBondContact O-N 3.49Å; N321-I324 PolarHBondContact O-N 2.73Å; N321-I324 VanDerWaalsContact O-N 3.12Å; P322-I324 VanDerWaalsContact C-N 3.29Å; P322-I324 PolarHBondContact O-N 2.85Å; I324-A326 PolarHBondContact O-N 3.49Å; I324-F327 HydrophobicContact CG2-CD2 4.31Å; I324-F327 WeakPolarHBondContact O-CB 3.48Å; I324-F327 WeakPolarHBondContact O-CD2 3.25Å; I324-F327 PolarHBondContact O-N 3.05Å; I324-F327 VanDerWaalsContact O-N 3.12Å
325Y85.2Confident88Confident25 Ų2543.1 Ų43.110%0.09822%0.22CC..Hα-helixtrans-64.4-29174-60.1-43000113.1V43 V62 L65 N321 P322 I323 F327 N328 F331V43-Y325 HydrophobicContact CG1-CD2 4.26Å; V43-Y325 HydrophobicContact CG1-CE2 4.38Å; V43-Y325 HydrophobicContact CG2-CD2 3.82Å; V43-Y325 HydrophobicContact CG2-CE2 4.44Å; V62-Y325 HydrophobicContact CG1-CD2 4.13Å; V62-Y325 HydrophobicContact CG1-CE1 4.15Å; V62-Y325 HydrophobicContact CG1-CE2 3.65Å; V62-Y325 HydrophobicContact CG2-CE1 4.14Å; L65-Y325 WeakPolarHBondContact CD2-OH 3.42Å; N321-Y325 HydrophobicContact CB-CE2 4.23Å; N321-Y325 WeakPolarHBondContact O-CD2 3.43Å; N321-Y325 PolarHBondContact O-N 3.24Å; P322-Y325 PolarHBondContact O-N 3.03Å; I323-Y325 VanDerWaalsContact C-N 3.33Å; I323-Y325 PolarHBondContact O-N 3.45Å; Y325-F327 PolarHBondContact O-N 3.17Å; Y325-N328 VanDerWaalsContact O-CB 3.29Å; Y325-N328 WeakPolarHBondContact O-CB 3.46Å; Y325-N328 PolarHBondContact O-N 2.9Å; Y325-F331 VanDerWaalsContact O-CB 3.27Å; Y325-F331 WeakPolarHBondContact O-CB 3.5Å
326A87.1Confident88.1Confident31 Ų3145 Ų4526%0.25623%0.233SC..THydrogen-bonded Turntrans-65.3-14.4174.600000113.7P322 I323 I324 N328 R332 F335P322-A326 PolarHBondContact O-N 2.98Å; P322-A326 VanDerWaalsContact O-N 3.09Å; I323-A326 WeakPolarHBondContact O-CB 3.49Å; I323-A326 PolarHBondContact O-N 3.03Å; I323-A326 VanDerWaalsContact O-N 3.15Å; I324-A326 PolarHBondContact O-N 3.49Å; A326-N328 VanDerWaalsContact C-N 3.27Å; A326-R332 WeakPolarHBondContact O-CB 3.45Å; A326-F335 HydrophobicContact CB-CD2 4.06Å; A326-F335 HydrophobicContact CB-CE2 4.12Å
327F83.1Confident88.1Confident127 Ų12747.7 Ų47.756%0.55724%0.244SC*.THydrogen-bonded Turntrans-73.1-20168.8-66.1-63.9000113T266 I324 Y325T266-F327 HydrophobicContact CG2-CB 3.93Å; I324-F327 HydrophobicContact CG2-CD2 4.31Å; I324-F327 WeakPolarHBondContact O-CB 3.48Å; I324-F327 WeakPolarHBondContact O-CD2 3.25Å; I324-F327 PolarHBondContact O-N 3.05Å; I324-F327 VanDerWaalsContact O-N 3.12Å; Y325-F327 PolarHBondContact O-N 3.17Å
328N83.3Confident88.1Confident66 Ų6649.7 Ų49.735%0.35326%0.255SS..SBendtrans-78.4126172.4-174.5-51.7000109.9Y325 A326 D330 F331 R332Y325-N328 VanDerWaalsContact O-CB 3.29Å; Y325-N328 WeakPolarHBondContact O-CB 3.46Å; Y325-N328 PolarHBondContact O-N 2.9Å; A326-N328 VanDerWaalsContact C-N 3.27Å; N328-D330 VanDerWaalsContact C-N 3.28Å; N328-D330 PolarHBondContact O-N 2.78Å; N328-D330 WeakPolarHBondContact OD1-CB 3.3Å; N328-D330 PolarHBondContact OD1-N 3.39Å; N328-F331 HydrophobicContact CB-CB 4.3Å; N328-F331 HydrophobicContact CB-CD2 4.06Å; N328-F331 PolarHBondContact O-N 3.16Å; N328-R332 WeakPolarHBondContact O-CB 3.39Å; N328-R332 PolarHBondContact O-N 2.86Å
329A83.8Confident88.2Confident59 Ų5955 Ų5549%0.48828%0.282SS..Hα-helixtrans-59.4-35.5-175.800000113.8K333A329-K333 WeakPolarHBondContact O-CB 3.45Å; A329-K333 PolarHBondContact O-N 3.23Å
330D87.3Confident87.8Confident54 Ų5455.7 Ų55.729%0.28929%0.292SS..Hα-helixtrans-68.3-46.5-180-62.8-22.6000110.4L53 K56 N328 K333 A334L53-D330 HydrophobicContact CD2-CB 3.72Å; K56-D330 IonicContact NZ-OD2 3.98Å; K56-D330 PolarHBondContact NZ-OD2 3.39Å; N328-D330 VanDerWaalsContact C-N 3.28Å; N328-D330 PolarHBondContact O-N 2.78Å; N328-D330 WeakPolarHBondContact OD1-CB 3.3Å; N328-D330 PolarHBondContact OD1-N 3.39Å; D330-K333 PolarHBondContact O-N 2.74Å; D330-A334 PolarHBondContact O-N 2.87Å
331F88.6Confident86.9Confident6 Ų655.4 Ų55.43%0.02629%0.294CS..Hα-helixtrans-65.3-43.1175.7-83.8-83.9000111.9V43 V47 L53 V62 Y325 N328 K333 A334 F335V43-F331 HydrophobicContact CG1-CE1 4.47Å; V47-F331 HydrophobicContact CG2-CE1 3.61Å; V47-F331 HydrophobicContact CG2-CZ 3.78Å; L53-F331 HydrophobicContact CD1-CD1 4.38Å; L53-F331 HydrophobicContact CD1-CE1 4.4Å; L53-F331 HydrophobicContact CD2-CD2 4.33Å; L53-F331 HydrophobicContact CD2-CE2 4.23Å; V62-F331 HydrophobicContact CG1-CE1 4.42Å; V62-F331 HydrophobicContact CG1-CZ 4.07Å; Y325-F331 VanDerWaalsContact O-CB 3.27Å; Y325-F331 WeakPolarHBondContact O-CB 3.5Å; N328-F331 HydrophobicContact CB-CB 4.3Å; N328-F331 HydrophobicContact CB-CD2 4.06Å; N328-F331 PolarHBondContact O-N 3.16Å; F331-K333 VanDerWaalsContact C-N 3.3Å; F331-K333 PolarHBondContact O-N 2.8Å; F331-A334 WeakPolarHBondContact O-CB 3.43Å; F331-A334 PolarHBondContact O-N 2.92Å; F331-A334 VanDerWaalsContact O-N 3.14Å; F331-F335 HydrophobicContact CB-CE2 4.25Å; F331-F335 HydrophobicContact CB-CZ 4.27Å; F331-F335 HydrophobicContact CD1-CE1 4.03Å; F331-F335 AromaticContact CD1-CZ 3.8Å; F331-F335 HydrophobicContact CD1-CZ 3.8Å; F331-F335 HydrophobicContact CG-CZ 4.49Å; F331-F335 WeakPolarHBondContact O-CB 3.3Å; F331-F335 WeakPolarHBondContact O-CG 3.13Å; F331-F335 PolarHBondContact O-N 2.91Å
332R90.1Very high85.5Confident153 Ų15362 Ų6258%0.57732%0.324SS*.Hα-helixtrans-58.4-42177-169.1170.262.2-170.20.9112.3A326 N328 S336A326-R332 WeakPolarHBondContact O-CB 3.45Å; N328-R332 WeakPolarHBondContact O-CB 3.39Å; N328-R332 PolarHBondContact O-N 2.86Å; R332-S336 WeakPolarHBondContact O-CB 3.41Å; R332-S336 PolarHBondContact O-N 3.37Å
333K89.1Confident83.9Confident146 Ų14672.6 Ų72.664%0.63536%0.363SS*.Hα-helixtrans-64.9-45.3175.7-173.4174.4-177.6174.70111A329 D330 F331 S336 I337A329-K333 WeakPolarHBondContact O-CB 3.45Å; A329-K333 PolarHBondContact O-N 3.23Å; D330-K333 PolarHBondContact O-N 2.74Å; F331-K333 VanDerWaalsContact C-N 3.3Å; F331-K333 PolarHBondContact O-N 2.8Å; K333-S336 PolarHBondContact O-N 3.44Å; K333-I337 HydrophobicContact CG-CD1 4.16Å; K333-I337 WeakPolarHBondContact O-CG1 3.29Å; K333-I337 PolarHBondContact O-N 2.92Å; K333-I337 VanDerWaalsContact O-N 3.13Å
334A90.9Very high82.3Confident1 Ų174.6 Ų74.61%0.00837%0.374CS..Hα-helixtrans-59.4-46176.200000112.4A46 F50 L53 D330 F331 I337 L338A46-A334 HydrophobicContact CB-CB 4Å; F50-A334 HydrophobicContact CD2-CB 3.43Å; F50-A334 VanDerWaalsContact CD2-CB 3.43Å; F50-A334 HydrophobicContact CE2-CB 3.43Å; F50-A334 VanDerWaalsContact CE2-CB 3.43Å; F50-A334 HydrophobicContact CG-CB 4.23Å; F50-A334 HydrophobicContact CZ-CB 4.21Å; L53-A334 HydrophobicContact CD1-CB 3.85Å; D330-A334 PolarHBondContact O-N 2.87Å; F331-A334 WeakPolarHBondContact O-CB 3.43Å; F331-A334 PolarHBondContact O-N 2.92Å; F331-A334 VanDerWaalsContact O-N 3.14Å; A334-I337 PolarHBondContact O-N 2.92Å; A334-L338 WeakPolarHBondContact O-CG 3.3Å; A334-L338 PolarHBondContact O-N 3.05Å
335F93.1Very high80.5Confident15 Ų1578.7 Ų78.77%0.06640%0.403CS..Hα-helixtrans-63.5-43.8177.9-64.3-16000112.1L42 V43 A46 A326 F331 I337 L338 L339L42-F335 HydrophobicContact CD1-CD1 4.3Å; L42-F335 HydrophobicContact CD2-CB 4.11Å; L42-F335 HydrophobicContact CD2-CD1 3.71Å; L42-F335 HydrophobicContact CD2-CD2 4.36Å; L42-F335 HydrophobicContact CD2-CE1 4.18Å; L42-F335 HydrophobicContact CD2-CG 3.82Å; L42-F335 HydrophobicContact CG-CD1 3.61Å; L42-F335 HydrophobicContact CG-CE1 3.89Å; L42-F335 HydrophobicContact CG-CG 4.25Å; V43-F335 HydrophobicContact CG2-CE1 4.4Å; V43-F335 HydrophobicContact CG2-CZ 3.86Å; A46-F335 HydrophobicContact CB-CD1 3.97Å; A46-F335 HydrophobicContact CB-CE1 3.69Å; A326-F335 HydrophobicContact CB-CD2 4.06Å; A326-F335 HydrophobicContact CB-CE2 4.12Å; F331-F335 HydrophobicContact CB-CE2 4.25Å; F331-F335 HydrophobicContact CB-CZ 4.27Å; F331-F335 HydrophobicContact CD1-CE1 4.03Å; F331-F335 AromaticContact CD1-CZ 3.8Å; F331-F335 HydrophobicContact CD1-CZ 3.8Å; F331-F335 HydrophobicContact CG-CZ 4.49Å; F331-F335 WeakPolarHBondContact O-CB 3.3Å; F331-F335 WeakPolarHBondContact O-CG 3.13Å; F331-F335 PolarHBondContact O-N 2.91Å; F335-I337 VanDerWaalsContact C-N 3.3Å; F335-I337 PolarHBondContact O-N 3.02Å; F335-L338 PolarHBondContact O-N 2.75Å; F335-L339 WeakPolarHBondContact O-CB 3.48Å; F335-L339 WeakPolarHBondContact O-CG 3.12Å; F335-L339 PolarHBondContact O-N 2.86Å
336S89.3Confident78.6Confident41 Ų4183.7 Ų83.729%0.28744%0.438SS..Hα-helixtrans-59.8-39.4176.9-179.90000112.6R332 K333 G340 C341R332-S336 WeakPolarHBondContact O-CB 3.41Å; R332-S336 PolarHBondContact O-N 3.37Å; K333-S336 PolarHBondContact O-N 3.44Å; S336-G340 PolarHBondContact O-N 3.4Å; S336-C341 PolarHBondContact O-N 2.97Å
337I89.4Confident76.9Confident77 Ų7785.1 Ų85.140%0.39546%0.456SS..Hα-helixtrans-68.1-43.6176.1-66.3165.5000110.9F50 K333 A334 F335 G340F50-I337 HydrophobicContact CE1-CD1 3.97Å; F50-I337 HydrophobicContact CE1-CG2 4.34Å; F50-I337 HydrophobicContact CZ-CB 3.94Å; F50-I337 HydrophobicContact CZ-CD1 4.08Å; F50-I337 HydrophobicContact CZ-CG2 3.83Å; K333-I337 HydrophobicContact CG-CD1 4.16Å; K333-I337 WeakPolarHBondContact O-CG1 3.29Å; K333-I337 PolarHBondContact O-N 2.92Å; K333-I337 VanDerWaalsContact O-N 3.13Å; A334-I337 PolarHBondContact O-N 2.92Å; F335-I337 VanDerWaalsContact C-N 3.3Å; F335-I337 PolarHBondContact O-N 3.02Å; I337-G340 PolarHBondContact O-N 2.93Å
338L90.9Very high75.2Confident44 Ų4484.4 Ų84.423%0.2347%0.467CS..Hα-helixtrans-68.8-38.1-178.6-74.3171.3000113.1L42 V45 A46 K49 F50 A334 F335 G340L42-L338 HydrophobicContact CD1-CB 3.7Å; L42-L338 HydrophobicContact CD1-CD1 3.71Å; L42-L338 HydrophobicContact CD1-CG 4.35Å; V45-L338 HydrophobicContact CB-CD1 4.43Å; V45-L338 HydrophobicContact CG1-CD1 3.92Å; V45-L338 HydrophobicContact CG1-CD2 3.77Å; A46-L338 HydrophobicContact CB-CD1 3.86Å; K49-L338 HydrophobicContact CD-CD2 3.76Å; F50-L338 HydrophobicContact CE2-CD1 4.02Å; F50-L338 HydrophobicContact CE2-CD2 4.46Å; F50-L338 HydrophobicContact CE2-CG 3.96Å; F50-L338 HydrophobicContact CZ-CG 4.46Å; A334-L338 WeakPolarHBondContact O-CG 3.3Å; A334-L338 PolarHBondContact O-N 3.05Å; F335-L338 PolarHBondContact O-N 2.75Å; L338-G340 PolarHBondContact O-N 3.29Å
339L89.6Confident73.1Confident112 Ų11288.2 Ų88.259%0.58649%0.487SS*.THydrogen-bonded Turntrans-80.7-3.4177.7-65.6171.2000112.9L42 F335 C341L42-L339 HydrophobicContact CD1-CG 4.49Å; L42-L339 HydrophobicContact CD2-CD1 4.13Å; L42-L339 HydrophobicContact CD2-CD2 4.43Å; L42-L339 HydrophobicContact CD2-CG 4.3Å; F335-L339 WeakPolarHBondContact O-CB 3.48Å; F335-L339 WeakPolarHBondContact O-CG 3.12Å; F335-L339 PolarHBondContact O-N 2.86Å; L339-C341 PolarHBondContact O-N 3.28Å
340G83.1Confident70.9Confident33 Ų3390.1 Ų90.134%0.3450%0.503SS..THydrogen-bonded Turntrans71.711.8179.200000114.5S336 I337 L338 H342 R343S336-G340 PolarHBondContact O-N 3.4Å; I337-G340 PolarHBondContact O-N 2.93Å; L338-G340 PolarHBondContact O-N 3.29Å; G340-H342 PolarHBondContact O-N 2.94Å; G340-R343 PolarHBondContact O-N 2.88Å
341C71.3Confident68.7Low51 Ų5194.7 Ų94.735%0.34553%0.526SS..G310 helixtrans-60.5-16.5-179.1-63.50000113.4S336 L339 R343 L344 C345S336-C341 PolarHBondContact O-N 2.97Å; L339-C341 PolarHBondContact O-N 3.28Å; C341-R343 PolarHBondContact O-N 2.92Å; C341-L344 PolarHBondContact O-N 2.71Å; C341-C345 PolarHBondContact O-N 2.93Å
342H58.2Low66.2Low141 Ų141102.1 Ų102.165%0.65356%0.561SS**G310 helixtrans-64.6-18.5172.3-139.9-57000113.6G340G340-H342 PolarHBondContact O-N 2.94Å
343R55.3Low63.6Low235 Ų235102.2 Ų102.289%0.88757%0.571SS**G310 helixtrans-86.8-14.8172.4-66.5-168.2178.5-165.70.6113.5G340 C341G340-R343 PolarHBondContact O-N 2.88Å; C341-R343 PolarHBondContact O-N 2.92Å
344L53.9Low61Low139 Ų13999.9 Ų99.973%0.72857%0.569SS**THydrogen-bonded Turntrans-99.5-22.3-175.7-69.7166000113.2C341C341-L344 PolarHBondContact O-N 2.71Å
345C47.1Very low58.2Low97 Ų97104.7 Ų104.766%0.65560%0.603SS**  trans-133.891.4175-66.10000111.6C341 G347C341-C345 PolarHBondContact O-N 2.93Å; C345-G347 VanDerWaalsContact C-N 3.29Å; C345-G347 PolarHBondContact O-N 3.14Å
346P45.2Very low55.4Low129 Ų129111 Ų11184%0.83864%0.636SS**  trans-78.677.9169.732.1-30.3000109.2
347G53Low52.8Low62 Ų62116.7 Ų116.764%0.63966%0.663SS**  trans165.276.9176.100000116.4C345C345-G347 VanDerWaalsContact C-N 3.29Å; C345-G347 PolarHBondContact O-N 3.14Å
348S46.2Very low50.2Low112 Ų112119.7 Ų119.778%0.78368%0.68SS**SBendtrans176.7117.7132.5-92.80000110.2
349N40Very low47.5Very low145 Ų145125.2 Ų125.278%0.77571%0.709SS**  trans8157.9169.3-48.1-22.7000116.3I351N349-I351 PolarHBondContact O-N 3.07Å
350A37.6Very low44.7Very low100 Ų100123.2 Ų123.283%0.82672%0.716SS**  trans-68101.813900000107E352A350-E352 PolarHBondContact O-N 3.42Å; A350-E352 VanDerWaalsContact O-N 3.08Å
351I40.9Very low42.3Very low149 Ų149127.4 Ų127.476%0.76474%0.74SS**  trans-73.992.9158.5-64.3177.4000104.4N349 I353N349-I351 PolarHBondContact O-N 3.07Å; I351-I353 PolarHBondContact O-N 2.9Å
352E35.6Very low40.2Very low162 Ų162134 Ų13476%0.75777%0.765SS**  trans-66.9111.9164.7-163.6172.2-155.700106.4A350 V354A350-E352 PolarHBondContact O-N 3.42Å; A350-E352 VanDerWaalsContact O-N 3.08Å; E352-V354 HydrophobicContact CB-CG2 4.36Å; E352-V354 HydrophobicContact CG-CG2 3.99Å; E352-V354 PolarHBondContact O-N 3Å
353I36.3Very low39.3Very low155 Ų155132.7 Ų132.780%0.79577%0.769SS**  trans-72.686.1169.4-59.2176.5000105.4I351 S355I351-I353 PolarHBondContact O-N 2.9Å; I353-S355 PolarHBondContact O-N 3.4Å
354V33.9Very low38.6Very low98 Ų98127.3 Ų127.359%0.59477%0.765SS**  trans-73.8108.8167.6175.70000106.7E352 I356E352-V354 HydrophobicContact CB-CG2 4.36Å; E352-V354 HydrophobicContact CG-CG2 3.99Å; E352-V354 PolarHBondContact O-N 3Å; V354-I356 PolarHBondContact O-N 3.02Å; V354-I356 VanDerWaalsContact O-N 3.15Å
355S33.1Very low37.3Very low102 Ų102125.3 Ų125.371%0.71377%0.768SS**  trans-67.5107.4164.560.80000107.8I353 N357I353-S355 PolarHBondContact O-N 3.4Å; S355-N357 PolarHBondContact O-N 3.22Å
356I34.2Very low36.4Very low148 Ų148126.1 Ų126.176%0.75978%0.775SS**  trans-70.897.1171.7-59.8173.7000106.9V354V354-I356 PolarHBondContact O-N 3.02Å; V354-I356 VanDerWaalsContact O-N 3.15Å
357N33.5Very low35.4Very low159 Ų159129.5 Ų129.585%0.8578%0.78SS**  trans-87.5106.5159.5-11311.7000107S355 N359S355-N357 PolarHBondContact O-N 3.22Å; N357-N359 PolarHBondContact O-N 2.9Å
358N34.8Very low34Very low141 Ų141136.8 Ų136.875%0.75479%0.79SS**  trans-80.1104.8175.7-158.825.9000108.2
359N34Very low33Very low160 Ų160139.7 Ų139.786%0.85679%0.791SS**  trans-164.1122.6145.9-95.4-10.9000108.3N357N357-N359 PolarHBondContact O-N 2.9Å
360G31.9Very low32.8Very low70 Ų70137.2 Ų137.272%0.72278%0.782SS**  trans-78.5178.8-165.800000116.1
361S31.2Very low32.2Very low120 Ų120142.3 Ų142.384%0.83979%0.786SS**  trans91.297.7164.663.40000119.6
362Q28.6Very low31.4Very low189 Ų189138.5 Ų138.588%0.88378%0.784SS**  trans82.6138.6145.9-76.5179.1-2200122.5
363P39.6Very low30.9Very low114 Ų114140 Ų14074%0.7479%0.79SS**  trans-89.9176.9177.742.5-36.1000110.6
364P40.1Very low30.6Very low122 Ų122139.3 Ų139.379%0.79279%0.787SS**  cis-153.3-170.133.840.6-16000117.9
365A25.6Very low30.2Very low97 Ų97140.6 Ų140.680%0.80280%0.797SS**  trans100128.3143.900000120.2
366S28.9Very low29.8Very low114 Ų114144.4 Ų144.480%0.79780%0.801SS**  trans-65.5131.6172.750.30000113.4
367Q25Very low29.4Very low201 Ų201146.2 Ų146.294%0.93981%0.806SS**  trans-156.6144.8144-133.5167.2-1.600113.7
368Y22Very low28.9Very low215 Ų215142.8 Ų142.884%0.84379%0.794SS**  trans-77.5160.8-175-109.8-109.8000113.6
369Q26.7Very low28.4Very low173 Ų173142.4 Ų142.481%0.80879%0.792SS**  trans99.9151.7145-81-115.3-21.500121.5
370P34.7Very low27.9Very low92 Ų92141.8 Ų141.860%0.59779%0.789SS**  trans-125-176-135.144.7-32.2000115.6
371K25Very low27.6Very low207 Ų207143.1 Ų143.190%0.979%0.793SS**  trans86.6129.2163.5-69.1179.7175.4178.40117.9
372G24.5Very low27.3Very low70 Ų70142.6 Ų142.672%0.72279%0.785SS**  122.4115.112600000117.6
373H24.6Very low27.1Very low192 Ų192143 Ų14389%0.88978%0.78SS**  trans73.4128.2143.5-98.3-65.7000122.8
374I30Very low26.4Very low142 Ų142145.8 Ų145.873%0.72879%0.785SS**  trans-65.3144.4165.5-61.2162.7000110.6
375P26.8Very low25.8Very low124 Ų124147.2 Ų147.281%0.80579%0.785SS**  -128.7150.9123.66.515.3000113.9
376K25.2Very low26Very low183 Ų183147.7 Ų147.780%0.79678%0.779SS**  trans-81.3170.7174.3-77.8178.3165178.30112.2
377E25.3Very low25.9Very low186 Ų186150.6 Ų150.687%0.86978%0.78SS**  trans79.4144.6162-71.3-179.1178.700116.1
378S22.3Very low26Very low86 Ų86146.7 Ų146.760%0.60178%0.775SS**  cis-174.7150.6-6.1153.40000107.7
379N25.1Very low26.2Very low133 Ų133144.2 Ų144.271%0.71178%0.775SS**  trans95.7115150.7-71.6-11.9000122.8
380N23.1Very low26.2Very low148 Ų148143.9 Ų143.979%0.79178%0.778SS**  69.4108.7128.1-62.2-7.9000120.8
381A25.9Very low25.6Very low97 Ų97145 Ų14580%0.80279%0.786SS**  -164.7114.6115.800000111.5
382T23.8Very low25.6Very low109 Ų109143.7 Ų143.767%0.66978%0.783SS**  trans6.1133.3141.8-36.60000118.3
383Y24.4Very low25.6Very low197 Ų197149.5 Ų149.577%0.77379%0.792SS**  172.4124.5110.5-88.9-73000113.4
384M26.1Very low25.6Very low173 Ų173149 Ų14985%0.85279%0.789SS**  trans59.5114.3145.9-71.2-178-174.700122.4
385I26.4Very low25.3Very low153 Ų153151.5 Ų151.579%0.78580%0.798SS**  trans-87.8148.4152.6-43.7171.3000107.5
386P29.3Very low25.1Very low106 Ų106153.7 Ų153.769%0.68880%0.802SS**  -147.9150.496.141.2-25000111.7
387H27.7Very low25.2Very low176 Ų176153.9 Ų153.982%0.81581%0.806SS**  cis-155.4136.715.9-85.5-82.5000107.2
388S26.4Very low25.1Very low118 Ų118154.9 Ų154.983%0.82581%0.808SS**  trans-158.9125.5141.8560000109.9
389I28Very low25.2Very low164 Ų164159.9 Ų159.984%0.84182%0.818SS**  trans-76.3118.1175.9-67.7167.7000107.1
390L24.7Very low25.1Very low166 Ų166160.8 Ų160.887%0.86982%0.823SS**  trans-111.5124.9160.6-160.890.1000107.2
391C24Very low25.2Very low116 Ų116157 Ų15778%0.78482%0.819SS**PPolyproline II helixtrans-59.6138172.8-68.50000111
392Q23.4Very low25.2Very low179 Ų179159.7 Ų159.784%0.83683%0.825SS**PPolyproline II helixtrans-93.4126.9174.4-160166.82.200108.6
393E24.8Very low25.2Very low192 Ų192157.5 Ų157.590%0.89782%0.824SS**PPolyproline II helixtrans-72.1122.5162.9-82.6170.9144.400108.5
394E25.3Very low25.3Very low180 Ų180155 Ų15584%0.84182%0.823SS**  trans-105.1111.8163-80.2-172.615800109.1
395E22.3Very low25.3Very low196 Ų196155.5 Ų155.592%0.91682%0.82SS**  trans-77.1126156.6-76.1-169.8147.600108.6
396L24.1Very low25.3Very low169 Ų169154.4 Ų154.489%0.88582%0.821SS**  trans-126.9134.2165.8-15970.9000111.6
397Q26Very low25.1Very low187 Ų187157.1 Ų157.187%0.87483%0.829SS**  trans-59.5150.8-171.1-68.6175.1-31.800115.1
398K23.9Very low25Very low208 Ų208155.2 Ų155.290%0.90482%0.82SS**  trans-92.2126175.5-156.9179.4-168.2179.70109.8
399K23.9Very low25Very low190 Ų190157.5 Ų157.583%0.82682%0.815SS**  trans-153.9117.4156.4-123.6-176.5179.1-1790112.6
400D24.7Very low24.8Very low152 Ų152157.8 Ų157.881%0.81382%0.817SS**  trans41.2129.6145.7-53.2-27000123.3
401G24.3Very low24.8Very low68 Ų68155 Ų15570%0.70181%0.812SS**  trans131.7106137.200000118.1
402V24.9Very low25.3Very low154 Ų154154.6 Ų154.693%0.93381%0.808SS**  trans33.5129.7134.9-168.20000117.8
403G24.7Very low25.3Very low63 Ų63151 Ų15165%0.64980%0.803SS**  cis156.416211.200000108.4
404I26.5Very low25.2Very low145 Ų145149.9 Ų149.974%0.74480%0.802SS**  trans93.8116.3148.7-61.6-176.8000121.1
405K26.4Very low25.1Very low184 Ų184146.3 Ų146.380%0.880%0.797SS**  trans87.3102141-75.9166.6-166.1177.50123.2
406T26.8Very low25.2Very low130 Ų130140.3 Ų140.380%0.79879%0.787SS**  28.9121.2110.8-37.60000121.1
407L24.6Very low25.3Very low162 Ų162140 Ų14085%0.84879%0.787SS**  trans-164.898139.1-144.193.2000108.5
408E25.9Very low25.3Very low137 Ų137138.5 Ų138.564%0.6478%0.784SS**  79.8120.793.3-139.1-169.8170.500116.4
409K25.3Very low25.4Very low165 Ų165132.6 Ų132.672%0.71778%0.782SS**  trans43.5128148.6-81.8175.6-173140.30120.9
410L24.8Very low25.5Very low170 Ų170128.5 Ų128.589%0.8978%0.777SS**  178.4121.2106.6-93.6147.2000110.1
411S24.7Very low25.7Very low107 Ų107129.4 Ų129.475%0.74878%0.782SS**  trans-94.3156.1148.277.10000107.2
412P34.3Very low26Very low109 Ų109130.2 Ų130.271%0.70878%0.782SS**  -147.4160.577.235.6-15.2000116.6
413S23Very low26.1Very low103 Ų103130.1 Ų130.172%0.7278%0.777SS**  trans19.1130.5150.661.10000121.6
414L22.8Very low26.4Very low168 Ų168133.1 Ų133.188%0.8878%0.782SS**  -178.5136.8102.6-147.669.6000113.1
415S24Very low26.5Very low106 Ų106131.2 Ų131.274%0.74178%0.781SS**  trans61.1104144.6-1800000121.5
416G22.5Very low26.8Very low69 Ų69129.8 Ų129.871%0.71178%0.782SS**  59.3110.211700000119.9
417N26.3Very low27.2Very low163 Ų163131.9 Ų131.987%0.87278%0.782SS**  trans-155.6144132.3-125.9-13000113.6
418L26.3Very low27.7Very low155 Ų155133.4 Ų133.481%0.81278%0.782SS**  trans-59.7133.3-173.5-81.161.1000113.6
419G25.7Very low28.2Very low85 Ų85134.2 Ų134.288%0.87679%0.789SS**  trans-108.486.4157.200000109.9
420S26.1Very low28.4Very low103 Ų103133 Ų13372%0.7279%0.791SS**  trans-110.692.9167.9174.40000107.5
421D29.1Very low28.8Very low172 Ų172130.5 Ų130.592%0.9278%0.784SS**PPolyproline II helixtrans-95.3121.6168.6-86.1-26.9000109.9
422A30.7Very low29.2Very low84 Ų84133.4 Ų133.469%0.69479%0.79SS**PPolyproline II helixtrans-75.6144.9-16200000114.2V424A422-V424 PolarHBondContact O-N 3.14Å
423D28.2Very low29Very low153 Ų153134.6 Ų134.682%0.81880%0.795SS**PPolyproline II helixtrans-56.8122.2159.9-94.2-39.7000111
424V30.8Very low29.6Very low126 Ų126138.1 Ų138.176%0.76480%0.8SS**  trans-9890.9161.2178.40000107.9A422 L426A422-V424 PolarHBondContact O-N 3.14Å; V424-L426 PolarHBondContact O-N 2.96Å
425S27Very low30Very low104 Ų104137.7 Ų137.773%0.72780%0.799SS**  trans-80.5107.2164.3-72.60000109.2E427S425-E427 VanDerWaalsContact C-N 3.29Å; S425-E427 PolarHBondContact O-N 3.37Å
426L33.7Very low30.3Very low155 Ų155136 Ų13681%0.81280%0.798SS**  trans-79.874.5174.8-111.4155.6000109.8V424V424-L426 PolarHBondContact O-N 2.96Å
427E35.3Very low30.6Very low173 Ų173142.2 Ų142.281%0.80881%0.809SS**  trans-143.274.7173.1-153.2168.4-142.700111.1S425S425-E427 VanDerWaalsContact C-N 3.29Å; S425-E427 PolarHBondContact O-N 3.37Å
428K34.3Very low30.9Very low194 Ų194143.1 Ų143.184%0.84381%0.808SS**  trans179103.3150.2-107.3170.8-178.9176.80109.7
429I36.6Very low31Very low155 Ų155145.2 Ų145.280%0.79581%0.81SS**  trans-127.7106.7155.3-58.6177.7000105.6
430N29.7Very low31.4Very low139 Ų139147.1 Ų147.174%0.74381%0.805SS**PPolyproline II helixtrans-84.8152.6168.2-92.6-5.3000109.6
431P33.3Very low31.6Very low117 Ų117149 Ų14976%0.7681%0.812SS**PPolyproline II helixtrans-74.8143.8-169.830.2-33.6000112.5T433P431-T433 PolarHBondContact O-N 3.08Å
432I32.6Very low31.7Very low168 Ų168146.7 Ų146.786%0.86280%0.804SS**PPolyproline II helixtrans-70.4121.7175.2-63.6167.4000109.2
433T31.7Very low31.9Very low134 Ų134152.3 Ų152.382%0.82284%0.836SS**PPolyproline II helixtrans-99132.1161.435.60000110.2P431P431-T433 PolarHBondContact O-N 3.08Å
434Q34.5Very low32Very low177 Ų177152.3 Ų152.383%0.82784%0.837SS**PPolyproline II helixtrans-68.2131.3167.4-76.6174.3-34.200110.3
435N31.5Very low32.1Very low159 Ų159153.7 Ų153.785%0.8584%0.841SS**  178.6135.3116.5-95.7-15.7000110.3
436G30.4Very low32.4Very low71 Ų71156.4 Ų156.473%0.73285%0.847SS**  trans-77.2162.7-17600000114
437Q28.3Very low32.3Very low200 Ų200156.5 Ų156.594%0.93585%0.849SS**  -170.7138.8124.2-104.8177.7-11.200109.5
438H32.6Very low32.1Very low181 Ų181155.5 Ų155.584%0.83885%0.852SS**  trans-43.2142170.2-92-90000113.6
439K29.6Very low32Very low200 Ų200152.9 Ų152.987%0.8785%0.852SS**  -157129.1125.6-107.5169.1-171.9-177.20111.6
440T34Very low31.7Very low125 Ų125152.8 Ų152.877%0.76786%0.857SS**  trans-51.1142.4171.713.70000113
441V28.7Very low31.8Very low143 Ų143153.8 Ų153.887%0.86787%0.865SS**  trans-122.1114.1158.4-179.70000107.4
442T32.7Very low31.7Very low122 Ų122156.9 Ų156.975%0.74887%0.874SS**  trans-87151.3167220000110.8
443C33.6Very low31.6Very low203 Ų203155.9 Ų155.9100%1.37288%0.875SS**  trans83.60173.4-62.10000116

Retrieved 443 of 443 residues in 1482.5 ms (Link to these results)