A0A5K4FGB5_SCHMA Loading...

G_PROTEIN_RECEP_F1_2 domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FGB5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 732 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
1M32.6Very low44.4Very low234 Ų234108 Ų108100%1.15355%0.554SS**  0133.50-72176.9170.100108.2
2N32.7Very low46.1Very low111 Ų111106.5 Ų106.559%0.59455%0.547SS*.  trans-75144.5179.6-73.1-0.8000111L4 N5N2-L4 PolarHBondContact O-N 3.49Å; N2-N5 PolarHBondContact O-N 3.28Å
3P41.4Very low47.7Very low104 Ų104101 Ų10168%0.67553%0.533SS*.Hα-helixtrans-62.8-26.3-179.925-33.9000113.1N5 Y6 T7P3-N5 VanDerWaalsContact C-N 3.3Å; P3-N5 PolarHBondContact O-N 2.98Å; P3-Y6 WeakPolarHBondContact O-CB 3.31Å; P3-Y6 PolarHBondContact O-N 3.33Å; P3-T7 PolarHBondContact O-N 3.03Å; P3-T7 VanDerWaalsContact O-N 3.15Å
4L35.1Very low49.2Very low91 Ų9196.4 Ų96.448%0.47651%0.509SS..Hα-helixtrans-48.5-46.7171.3-78.3157.4000112.8N2 Y6 T7 N8N2-L4 PolarHBondContact O-N 3.49Å; L4-Y6 VanDerWaalsContact C-N 3.28Å; L4-Y6 PolarHBondContact O-N 3.38Å; L4-T7 PolarHBondContact O-OG1 3.3Å; L4-T7 VanDerWaalsContact O-OG1 3.12Å; L4-N8 WeakPolarHBondContact O-CB 3.07Å; L4-N8 VanDerWaalsContact O-CG 3.28Å; L4-N8 PolarHBondContact O-N 3.05Å; L4-N8 PolarHBondContact O-OD1 3.27Å
5N42.9Very low50.7Low93 Ų9391.7 Ų91.750%0.49748%0.484SS..Hα-helixtrans-65.4-34.9177.8-70.946.4000111.1N2 P3 N8 H9N2-N5 PolarHBondContact O-N 3.28Å; P3-N5 VanDerWaalsContact C-N 3.3Å; P3-N5 PolarHBondContact O-N 2.98Å; N5-N8 PolarHBondContact O-N 3.12Å; N5-H9 WeakPolarHBondContact O-CB 3.46Å; N5-H9 PolarHBondContact O-CD2 3.14Å; N5-H9 VanDerWaalsContact O-CG 3.24Å; N5-H9 PolarHBondContact O-N 3.23Å
6Y40.5Very low52.1Low174 Ų17492.1 Ų92.168%0.68249%0.485SS*.Hα-helixtrans-73.8-39.1-174.1-153.7-96.6000112.6P3 L4 I10P3-Y6 WeakPolarHBondContact O-CB 3.31Å; P3-Y6 PolarHBondContact O-N 3.33Å; L4-Y6 VanDerWaalsContact C-N 3.28Å; L4-Y6 PolarHBondContact O-N 3.38Å; Y6-I10 HydrophobicContact CD1-CD1 3.73Å; Y6-I10 HydrophobicContact CE1-CD1 3.62Å; Y6-I10 WeakPolarHBondContact O-CD1 3.05Å; Y6-I10 VanDerWaalsContact O-CG1 3.29Å; Y6-I10 WeakPolarHBondContact O-CG1 3.44Å; Y6-I10 PolarHBondContact O-N 2.98Å
7T48.2Very low53.3Low79 Ų7988.6 Ų88.649%0.48547%0.465SS..Hα-helixtrans-65.7-45.4171.245.30000111.1P3 L4 I10 V11P3-T7 PolarHBondContact O-N 3.03Å; P3-T7 VanDerWaalsContact O-N 3.15Å; L4-T7 PolarHBondContact O-OG1 3.3Å; L4-T7 VanDerWaalsContact O-OG1 3.12Å; T7-I10 PolarHBondContact O-N 2.96Å; T7-V11 WeakPolarHBondContact O-CG2 3.29Å; T7-V11 PolarHBondContact O-N 2.82Å
8N46Very low54.6Low81 Ų8183.7 Ų83.743%0.43344%0.44SS..Hα-helixtrans-73-34.2-174.3-65.216.1000111.5L4 N5 V11 L12L4-N8 WeakPolarHBondContact O-CB 3.07Å; L4-N8 VanDerWaalsContact O-CG 3.28Å; L4-N8 PolarHBondContact O-N 3.05Å; L4-N8 PolarHBondContact O-OD1 3.27Å; N5-N8 PolarHBondContact O-N 3.12Å; N8-V11 PolarHBondContact O-N 3.06Å; N8-L12 WeakPolarHBondContact O-CB 3.5Å; N8-L12 PolarHBondContact O-N 3.35Å
9H49Very low55.6Low119 Ų11982.6 Ų82.655%0.55144%0.437SS*.Hα-helixtrans-66-35.6170.3-77.1-55.1000112.9N5 G13N5-H9 WeakPolarHBondContact O-CB 3.46Å; N5-H9 PolarHBondContact O-CD2 3.14Å; N5-H9 VanDerWaalsContact O-CG 3.24Å; N5-H9 PolarHBondContact O-N 3.23Å; H9-G13 PolarHBondContact O-N 3.29Å
10I59Low56.6Low79 Ų7983.8 Ų83.841%0.40544%0.442SS..Hα-helixtrans-68.3-45.5175.3-71.7169000110.7Y6 T7 G13 N14Y6-I10 HydrophobicContact CD1-CD1 3.73Å; Y6-I10 HydrophobicContact CE1-CD1 3.62Å; Y6-I10 WeakPolarHBondContact O-CD1 3.05Å; Y6-I10 VanDerWaalsContact O-CG1 3.29Å; Y6-I10 WeakPolarHBondContact O-CG1 3.44Å; Y6-I10 PolarHBondContact O-N 2.98Å; T7-I10 PolarHBondContact O-N 2.96Å; I10-G13 PolarHBondContact O-N 3.43Å; I10-N14 WeakPolarHBondContact O-CB 3.46Å; I10-N14 PolarHBondContact O-N 2.89Å; I10-N14 PolarHBondContact O-OD1 2.8Å
11V61.3Low57.6Low23 Ų2379.8 Ų79.814%0.13942%0.421CS..Hα-helixtrans-66.8-42.3178178.30000110.8T7 N8 G13 N14 I15 L117T7-V11 WeakPolarHBondContact O-CG2 3.29Å; T7-V11 PolarHBondContact O-N 2.82Å; N8-V11 PolarHBondContact O-N 3.06Å; V11-G13 PolarHBondContact O-N 2.99Å; V11-N14 WeakPolarHBondContact O-CB 3.47Å; V11-N14 PolarHBondContact O-N 2.93Å; V11-I15 HydrophobicContact CG1-CD1 3.86Å; V11-I15 HydrophobicContact CG1-CG1 4.49Å; V11-I15 VanDerWaalsContact O-CG1 3.28Å; V11-I15 WeakPolarHBondContact O-CG1 3.38Å; V11-I15 PolarHBondContact O-N 2.76Å; V11-L117 HydrophobicContact CG1-CB 4.13Å; V11-L117 HydrophobicContact CG1-CD1 3.78Å
12L64.6Low59.8Low90 Ų9070.2 Ų70.247%0.47138%0.375SS..Hα-helixtrans-62.6-40.9174.2-174.867.8000112N8 I15 L16N8-L12 WeakPolarHBondContact O-CB 3.5Å; N8-L12 PolarHBondContact O-N 3.35Å; L12-I15 PolarHBondContact O-N 3.48Å; L12-L16 HydrophobicContact CG-CD1 4.23Å; L12-L16 WeakPolarHBondContact O-CB 3.39Å; L12-L16 WeakPolarHBondContact O-CG 3.21Å; L12-L16 PolarHBondContact O-N 3.43Å
13G67.2Low62Low35 Ų3567.8 Ų67.836%0.36137%0.367SS..Hα-helixtrans-63.2-41.6174.800000112.5H9 I10 V11 I15 L16 F17H9-G13 PolarHBondContact O-N 3.29Å; I10-G13 PolarHBondContact O-N 3.43Å; V11-G13 PolarHBondContact O-N 2.99Å; G13-I15 VanDerWaalsContact C-N 3.33Å; G13-I15 PolarHBondContact O-N 3.34Å; G13-L16 PolarHBondContact O-N 2.81Å; G13-F17 WeakPolarHBondContact O-CB 3.25Å; G13-F17 PolarHBondContact O-N 2.78Å
14N69.1Low63.6Low37 Ų3764.9 Ų64.920%0.19835%0.345CS..Hα-helixtrans-64.2-35.7172.4-80.113.7000112.7I10 V11 S18 Q113I10-N14 WeakPolarHBondContact O-CB 3.46Å; I10-N14 PolarHBondContact O-N 2.89Å; I10-N14 PolarHBondContact O-OD1 2.8Å; V11-N14 WeakPolarHBondContact O-CB 3.47Å; V11-N14 PolarHBondContact O-N 2.93Å; N14-S18 WeakPolarHBondContact O-CB 3.33Å; N14-S18 PolarHBondContact O-N 3.06Å; N14-S18 PolarHBondContact O-OG 3.21Å; N14-Q113 HydrophobicContact CB-CG 4.3Å; N14-Q113 PolarHBondContact ND2-OE1 3.43Å
15I71.8Confident65.6Low26 Ų2660.6 Ų60.613%0.13332%0.322CS..Hα-helixtrans-72-43.6176.5-71.1167.1000110.8V11 L12 G13 F17 S18 T19 Q113 L117V11-I15 HydrophobicContact CG1-CD1 3.86Å; V11-I15 HydrophobicContact CG1-CG1 4.49Å; V11-I15 VanDerWaalsContact O-CG1 3.28Å; V11-I15 WeakPolarHBondContact O-CG1 3.38Å; V11-I15 PolarHBondContact O-N 2.76Å; L12-I15 PolarHBondContact O-N 3.48Å; G13-I15 VanDerWaalsContact C-N 3.33Å; G13-I15 PolarHBondContact O-N 3.34Å; I15-F17 VanDerWaalsContact C-N 3.31Å; I15-F17 PolarHBondContact O-N 3.03Å; I15-S18 WeakPolarHBondContact CA-OG 3.35Å; I15-S18 PolarHBondContact O-N 3.44Å; I15-S18 VanDerWaalsContact O-N 3.17Å; I15-S18 PolarHBondContact O-OG 2.04Å; I15-T19 HydrophobicContact CG2-CG2 4.49Å; I15-T19 WeakPolarHBondContact O-CG2 3.45Å; I15-T19 PolarHBondContact O-N 3.2Å; I15-T19 PolarHBondContact O-OG1 3.45Å; I15-T19 VanDerWaalsContact O-OG1 3.08Å; I15-Q113 HydrophobicContact CG1-CB 3.99Å; I15-L117 HydrophobicContact CD1-CB 4.2Å; I15-L117 HydrophobicContact CD1-CD1 4.43Å; I15-L117 HydrophobicContact CD1-CD2 3.85Å; I15-L117 HydrophobicContact CD1-CG 4.38Å
16L72.3Confident67.3Low98 Ų9859.2 Ų59.251%0.51331%0.314SS..Hα-helixtrans-59.3-44.8173.7-72.5168.8000110.5L12 G13 T19 L20L12-L16 HydrophobicContact CG-CD1 4.23Å; L12-L16 WeakPolarHBondContact O-CB 3.39Å; L12-L16 WeakPolarHBondContact O-CG 3.21Å; L12-L16 PolarHBondContact O-N 3.43Å; G13-L16 PolarHBondContact O-N 2.81Å; L16-T19 WeakPolarHBondContact CA-OG1 3.42Å; L16-T19 PolarHBondContact O-N 3.04Å; L16-T19 PolarHBondContact O-OG1 3.38Å; L16-L20 WeakPolarHBondContact O-CB 3.31Å; L16-L20 WeakPolarHBondContact O-CG 3.45Å; L16-L20 PolarHBondContact O-N 3.08Å
17F73Confident69Low33 Ų3354.9 Ų54.915%0.14530%0.302CS..Hα-helixtrans-62.1-42.6172.8174.8-99.9000112.9G13 I15 L20 Y21 Y109 I234 Y237 A238 L241G13-F17 WeakPolarHBondContact O-CB 3.25Å; G13-F17 PolarHBondContact O-N 2.78Å; I15-F17 VanDerWaalsContact C-N 3.31Å; I15-F17 PolarHBondContact O-N 3.03Å; F17-L20 PolarHBondContact O-N 3.43Å; F17-Y21 WeakPolarHBondContact O-CB 3.47Å; F17-Y21 PolarHBondContact O-N 3.01Å; F17-Y109 AromaticContact CD1-CE1 3.83Å; F17-Y109 HydrophobicContact CD1-CE1 3.83Å; F17-Y109 AromaticContact CE1-CE1 3.9Å; F17-Y109 HydrophobicContact CE1-CE1 3.9Å; F17-I234 HydrophobicContact CE2-CG1 4.48Å; F17-I234 HydrophobicContact CE2-CG2 3.96Å; F17-I234 HydrophobicContact CZ-CB 4.5Å; F17-I234 HydrophobicContact CZ-CG2 3.68Å; F17-Y237 HydrophobicContact CD1-CD1 4.44Å; F17-Y237 HydrophobicContact CD2-CD1 4.01Å; F17-Y237 HydrophobicContact CD2-CE1 4.19Å; F17-Y237 HydrophobicContact CE1-CD1 4.02Å; F17-Y237 AromaticContact CE2-CD1 3.54Å; F17-Y237 HydrophobicContact CE2-CD1 3.54Å; F17-Y237 HydrophobicContact CE2-CE1 4.18Å; F17-Y237 HydrophobicContact CE2-CG 4.43Å; F17-Y237 HydrophobicContact CG-CD1 4.45Å; F17-Y237 HydrophobicContact CG-CE1 4.44Å; F17-Y237 AromaticContact CZ-CD1 3.56Å; F17-Y237 HydrophobicContact CZ-CD1 3.56Å; F17-Y237 HydrophobicContact CZ-CE1 4.43Å; F17-Y237 HydrophobicContact CZ-CG 4.4Å; F17-A238 HydrophobicContact CE1-CB 3.93Å; F17-A238 HydrophobicContact CZ-CB 4.2Å; F17-L241 HydrophobicContact CD1-CD1 3.95Å; F17-L241 HydrophobicContact CE1-CD1 4.2Å
18S75.5Confident70.2Confident0 Ų051.3 Ų51.30%028%0.28CS..Hα-helixtrans-70-32178.171.50000112.8N14 I15 L22N14-S18 WeakPolarHBondContact O-CB 3.33Å; N14-S18 PolarHBondContact O-N 3.06Å; N14-S18 PolarHBondContact O-OG 3.21Å; I15-S18 WeakPolarHBondContact CA-OG 3.35Å; I15-S18 PolarHBondContact O-N 3.44Å; I15-S18 VanDerWaalsContact O-N 3.17Å; I15-S18 PolarHBondContact O-OG 2.04Å; S18-L22 WeakPolarHBondContact O-CB 3.47Å; S18-L22 PolarHBondContact O-N 3.25Å
19T74.3Confident71.7Confident63 Ų6349.5 Ų49.539%0.38727%0.27SS..Hα-helixtrans-69.1-39.6171.352.60000112.2I15 L16 L22 S23 L110I15-T19 HydrophobicContact CG2-CG2 4.49Å; I15-T19 WeakPolarHBondContact O-CG2 3.45Å; I15-T19 PolarHBondContact O-N 3.2Å; I15-T19 PolarHBondContact O-OG1 3.45Å; I15-T19 VanDerWaalsContact O-OG1 3.08Å; L16-T19 WeakPolarHBondContact CA-OG1 3.42Å; L16-T19 PolarHBondContact O-N 3.04Å; L16-T19 PolarHBondContact O-OG1 3.38Å; T19-L22 PolarHBondContact O-N 3.27Å; T19-S23 PolarHBondContact O-N 2.91Å; T19-S23 PolarHBondContact O-OG 3.14Å; T19-L110 HydrophobicContact CG2-CD1 3.69Å
20L75.2Confident72.9Confident105 Ų10548.6 Ų48.655%0.5527%0.269SS..Hα-helixtrans-64.1-42.6173.3-76.6167.6000111.5L16 F17 S23 M24L16-L20 WeakPolarHBondContact O-CB 3.31Å; L16-L20 WeakPolarHBondContact O-CG 3.45Å; L16-L20 PolarHBondContact O-N 3.08Å; F17-L20 PolarHBondContact O-N 3.43Å; L20-S23 WeakPolarHBondContact CA-OG 3.11Å; L20-S23 PolarHBondContact O-N 2.93Å; L20-S23 PolarHBondContact O-OG 3.09Å; L20-M24 WeakPolarHBondContact O-CB 3.45Å; L20-M24 WeakPolarHBondContact O-CG 3.29Å; L20-M24 PolarHBondContact O-N 2.76Å
21Y78.3Confident73.5Confident0 Ų047 Ų470%026%0.261CS..Hα-helixtrans-60.1-46.5173.9179.8-160.1000111.1F17 M24 S25 S105 A106 Y109 V168 L231 I234 N235 A238F17-Y21 WeakPolarHBondContact O-CB 3.47Å; F17-Y21 PolarHBondContact O-N 3.01Å; Y21-M24 PolarHBondContact O-N 2.85Å; Y21-S25 WeakPolarHBondContact O-CB 3.36Å; Y21-S25 PolarHBondContact O-N 3.05Å; Y21-S105 WeakPolarHBondContact OH-CB 3.39Å; Y21-S105 PolarHBondContact OH-OG 2.86Å; Y21-A106 HydrophobicContact CD1-CB 3.9Å; Y21-A106 HydrophobicContact CD2-CB 3.69Å; Y21-A106 VanDerWaalsContact CE1-CA 3.5Å; Y21-A106 HydrophobicContact CE1-CB 3.95Å; Y21-A106 HydrophobicContact CE2-CB 3.75Å; Y21-A106 HydrophobicContact CG-CB 3.78Å; Y21-Y109 AromaticContact CD1-CD1 3.93Å; Y21-Y109 HydrophobicContact CD1-CD1 3.93Å; Y21-Y109 HydrophobicContact CD1-CG 4.21Å; Y21-Y109 HydrophobicContact CE1-CD1 4.34Å; Y21-Y109 HydrophobicContact CE1-CG 4.14Å; Y21-V168 HydrophobicContact CE1-CG2 4.4Å; Y21-L231 HydrophobicContact CD2-CD2 4.4Å; Y21-L231 HydrophobicContact CE2-CD2 4.5Å; Y21-I234 HydrophobicContact CD1-CG2 4.34Å; Y21-I234 HydrophobicContact CD2-CG2 3.32Å; Y21-I234 HydrophobicContact CE2-CG2 3.97Å; Y21-I234 HydrophobicContact CG-CG2 3.54Å; Y21-N235 WeakPolarHBondContact CE2-OD1 3.21Å; Y21-N235 PolarHBondContact OH-OD1 3.06Å; Y21-A238 HydrophobicContact CE1-CB 4.14Å
22L79.3Confident73.9Confident34 Ų3446.1 Ų46.118%0.17826%0.256CS..Hα-helixtrans-62.5-47.3176.4-174.462.2000111.7S18 T19 M24 S25 I26 F103 A106 L110S18-L22 WeakPolarHBondContact O-CB 3.47Å; S18-L22 PolarHBondContact O-N 3.25Å; T19-L22 PolarHBondContact O-N 3.27Å; L22-M24 VanDerWaalsContact C-N 3.32Å; L22-M24 PolarHBondContact O-N 3.4Å; L22-S25 PolarHBondContact O-N 3.36Å; L22-S25 PolarHBondContact O-OG 2.76Å; L22-I26 HydrophobicContact CD1-CD1 4.18Å; L22-I26 HydrophobicContact CD1-CG1 4.38Å; L22-I26 HydrophobicContact CG-CD1 3.88Å; L22-I26 HydrophobicContact CG-CG1 4.5Å; L22-I26 WeakPolarHBondContact O-CG1 3.46Å; L22-I26 PolarHBondContact O-N 3.22Å; L22-F103 HydrophobicContact CD1-CD2 4.11Å; L22-F103 HydrophobicContact CD1-CE2 3.88Å; L22-A106 HydrophobicContact CB-CB 4.37Å; L22-A106 HydrophobicContact CD1-CB 4.11Å; L22-L110 HydrophobicContact CB-CD1 4.39Å; L22-L110 HydrophobicContact CD2-CD1 3.95Å; L22-L110 HydrophobicContact CD2-CD2 4.32Å
23S77.3Confident74.3Confident60 Ų6048.7 Ų48.742%0.4226%0.26SS..Hα-helixtrans-62.3-37.3178.358.70000112.8T19 L20 L27T19-S23 PolarHBondContact O-N 2.91Å; T19-S23 PolarHBondContact O-OG 3.14Å; L20-S23 WeakPolarHBondContact CA-OG 3.11Å; L20-S23 PolarHBondContact O-N 2.93Å; L20-S23 PolarHBondContact O-OG 3.09Å; S23-L27 WeakPolarHBondContact O-CB 3.35Å; S23-L27 PolarHBondContact O-N 3.22Å
24M75.8Confident74.3Confident43 Ų4353.3 Ų53.321%0.21227%0.268CS..Hα-helixtrans-70.8-36.1175.7-66.7-66.7-85.600111.8L20 Y21 L22 L27 N28 L227 I230 L231 I234L20-M24 WeakPolarHBondContact O-CB 3.45Å; L20-M24 WeakPolarHBondContact O-CG 3.29Å; L20-M24 PolarHBondContact O-N 2.76Å; Y21-M24 PolarHBondContact O-N 2.85Å; L22-M24 VanDerWaalsContact C-N 3.32Å; L22-M24 PolarHBondContact O-N 3.4Å; M24-L27 PolarHBondContact O-N 3.23Å; M24-N28 WeakPolarHBondContact O-CB 3.49Å; M24-N28 PolarHBondContact O-N 3.37Å; M24-L227 HydrophobicContact CE-CD1 3.5Å; M24-L227 VanDerWaalsContact CE-CD1 3.5Å; M24-L227 HydrophobicContact SD-CD1 4.09Å; M24-I230 HydrophobicContact CE-CB 4.28Å; M24-I230 HydrophobicContact CE-CG2 3.63Å; M24-L231 HydrophobicContact CB-CD2 3.85Å; M24-L231 HydrophobicContact CB-CG 4.27Å; M24-I234 HydrophobicContact CB-CD1 4.4Å; M24-I234 HydrophobicContact CG-CD1 4.17Å
25S77.8Confident74.1Confident0 Ų052 Ų520%026%0.261CS..Hα-helixtrans-67.9-38.1174.775.70000112.4Y21 L22 N28 L29 N102 A106Y21-S25 WeakPolarHBondContact O-CB 3.36Å; Y21-S25 PolarHBondContact O-N 3.05Å; L22-S25 PolarHBondContact O-N 3.36Å; L22-S25 PolarHBondContact O-OG 2.76Å; S25-N28 PolarHBondContact O-N 3.23Å; S25-L29 WeakPolarHBondContact O-CB 3.46Å; S25-L29 PolarHBondContact O-N 2.8Å; S25-N102 WeakPolarHBondContact CB-O 3.38Å; S25-A106 WeakPolarHBondContact OG-CB 3.26Å
26I78.2Confident73.6Confident65 Ų6553 Ų5333%0.33327%0.266SS..Hα-helixtrans-65.7-45.4173.3-70167.9000110.2L22 N28 L29 L30 F103L22-I26 HydrophobicContact CD1-CD1 4.18Å; L22-I26 HydrophobicContact CD1-CG1 4.38Å; L22-I26 HydrophobicContact CG-CD1 3.88Å; L22-I26 HydrophobicContact CG-CG1 4.5Å; L22-I26 WeakPolarHBondContact O-CG1 3.46Å; L22-I26 PolarHBondContact O-N 3.22Å; I26-N28 VanDerWaalsContact C-N 3.31Å; I26-N28 PolarHBondContact O-N 3.12Å; I26-L29 PolarHBondContact O-N 3.25Å; I26-L29 VanDerWaalsContact O-N 3.17Å; I26-L30 HydrophobicContact CG2-CD1 3.87Å; I26-L30 HydrophobicContact CG2-CG 4.31Å; I26-L30 WeakPolarHBondContact O-CB 3.4Å; I26-L30 WeakPolarHBondContact O-CG 3.38Å; I26-L30 PolarHBondContact O-N 3.25Å; I26-F103 HydrophobicContact CD1-CE2 4.17Å; I26-F103 HydrophobicContact CG1-CD2 3.81Å; I26-F103 HydrophobicContact CG1-CE2 3.69Å
27L75.6Confident72.8Confident82 Ų8250.7 Ų50.743%0.42926%0.259SS..Hα-helixtrans-59.2-43.4176.6-177.861.1000111.3S23 M24 L30 D31 L227S23-L27 WeakPolarHBondContact O-CB 3.35Å; S23-L27 PolarHBondContact O-N 3.22Å; M24-L27 PolarHBondContact O-N 3.23Å; L27-L30 PolarHBondContact O-N 3.03Å; L27-D31 WeakPolarHBondContact O-CB 3.3Å; L27-D31 PolarHBondContact O-N 3.24Å; L27-L227 HydrophobicContact CD2-CD1 3.98Å; L27-L227 HydrophobicContact CD2-CD2 4.41Å; L27-L227 HydrophobicContact CG-CD1 4.48Å; L27-L227 HydrophobicContact CG-CD2 4.16Å
28N74.5Confident71.8Confident5 Ų551.8 Ų51.83%0.02727%0.274CS..Hα-helixtrans-66.8-35.3175.6173.794.6000113.2M24 S25 I26 D31 T32 S99 I178 L227 L231M24-N28 WeakPolarHBondContact O-CB 3.49Å; M24-N28 PolarHBondContact O-N 3.37Å; S25-N28 PolarHBondContact O-N 3.23Å; I26-N28 VanDerWaalsContact C-N 3.31Å; I26-N28 PolarHBondContact O-N 3.12Å; N28-D31 PolarHBondContact O-N 3.15Å; N28-T32 PolarHBondContact O-N 3.15Å; N28-T32 PolarHBondContact O-OG1 2.87Å; N28-T32 VanDerWaalsContact O-OG1 3.1Å; N28-S99 VanDerWaalsContact ND2-CB 3.31Å; N28-S99 WeakPolarHBondContact ND2-CB 3.48Å; N28-I178 WeakPolarHBondContact ND2-CD1 3.29Å; N28-L227 HydrophobicContact CB-CD2 4.01Å; N28-L227 HydrophobicContact CB-CG 4.47Å; N28-L231 HydrophobicContact CB-CD1 3.41Å; N28-L231 VanDerWaalsContact CB-CD1 3.41Å
29L77.2Confident70.7Confident42 Ų4255.5 Ų55.522%0.2229%0.294CS..Hα-helixtrans-68-38.3173.7-175.170.9000111.9S25 I26 T32 Y33 S99 V100 F103S25-L29 WeakPolarHBondContact O-CB 3.46Å; S25-L29 PolarHBondContact O-N 2.8Å; I26-L29 PolarHBondContact O-N 3.25Å; I26-L29 VanDerWaalsContact O-N 3.17Å; L29-T32 PolarHBondContact O-OG1 2.76Å; L29-T32 VanDerWaalsContact O-OG1 3.07Å; L29-Y33 VanDerWaalsContact O-CB 3.27Å; L29-Y33 WeakPolarHBondContact O-CB 3.23Å; L29-Y33 PolarHBondContact O-N 3.2Å; L29-S99 WeakPolarHBondContact CD1-OG 3.02Å; L29-V100 HydrophobicContact CD1-CG2 3.88Å; L29-F103 HydrophobicContact CD2-CB 4.37Å; L29-F103 HydrophobicContact CD2-CD2 4.4Å; L29-F103 HydrophobicContact CD2-CG 4.23Å
30L73.8Confident69.1Low101 Ų10156.2 Ų56.253%0.52930%0.301SS..Hα-helixtrans-70.1-37.5174-69.9172000111.5I26 L27 Y34I26-L30 HydrophobicContact CG2-CD1 3.87Å; I26-L30 HydrophobicContact CG2-CG 4.31Å; I26-L30 WeakPolarHBondContact O-CB 3.4Å; I26-L30 WeakPolarHBondContact O-CG 3.38Å; I26-L30 PolarHBondContact O-N 3.25Å; L27-L30 PolarHBondContact O-N 3.03Å; L30-Y34 WeakPolarHBondContact O-CB 3.19Å; L30-Y34 PolarHBondContact O-N 3.43Å
31D70.8Confident67.4Low44 Ų4454.2 Ų54.224%0.23529%0.29CS..Hα-helixtrans-65.6-43174.7-99.310.1000112.1L27 N28 V35L27-D31 WeakPolarHBondContact O-CB 3.3Å; L27-D31 PolarHBondContact O-N 3.24Å; N28-D31 PolarHBondContact O-N 3.15Å; D31-V35 WeakPolarHBondContact O-CB 3.45Å; D31-V35 VanDerWaalsContact O-CG2 3.25Å; D31-V35 WeakPolarHBondContact O-CG2 3.37Å; D31-V35 PolarHBondContact O-N 3.34Å
32T70.4Confident65.3Low6 Ų661.3 Ų61.34%0.03732%0.324CS..Hα-helixtrans-68-41.5175500000111.6N28 L29 V35 I36 E95 S99N28-T32 PolarHBondContact O-N 3.15Å; N28-T32 PolarHBondContact O-OG1 2.87Å; N28-T32 VanDerWaalsContact O-OG1 3.1Å; L29-T32 PolarHBondContact O-OG1 2.76Å; L29-T32 VanDerWaalsContact O-OG1 3.07Å; T32-V35 PolarHBondContact O-N 2.95Å; T32-I36 WeakPolarHBondContact O-CD1 3.48Å; T32-I36 WeakPolarHBondContact O-CG1 3.42Å; T32-I36 PolarHBondContact O-N 3.24Å; T32-I36 VanDerWaalsContact O-N 3.11Å; T32-E95 HydrophobicContact CG2-CB 4.24Å; T32-S99 WeakPolarHBondContact OG1-CB 3.32Å; T32-S99 PolarHBondContact OG1-OG 3.37Å
33Y72.2Confident63.1Low143 Ų14367.6 Ų67.656%0.56135%0.35SS*.Hα-helixtrans-61.4-46.7173.6-177.5-96.9000111.7L29 V35 I36 S37L29-Y33 VanDerWaalsContact O-CB 3.27Å; L29-Y33 WeakPolarHBondContact O-CB 3.23Å; L29-Y33 PolarHBondContact O-N 3.2Å; Y33-V35 PolarHBondContact O-N 3.47Å; Y33-I36 PolarHBondContact O-N 3.11Å; Y33-I36 VanDerWaalsContact O-N 3.1Å; Y33-S37 PolarHBondContact O-N 3.35Å; Y33-S37 PolarHBondContact O-OG 3.34Å
34Y67.9Low60.8Low132 Ų13270.8 Ų70.852%0.51836%0.361SS..Hα-helixtrans-62.3-42.5178.3-179.1-95.6000112L30 I36 S37 A38L30-Y34 WeakPolarHBondContact O-CB 3.19Å; L30-Y34 PolarHBondContact O-N 3.43Å; Y34-I36 VanDerWaalsContact C-N 3.25Å; Y34-I36 PolarHBondContact O-N 3.43Å; Y34-S37 WeakPolarHBondContact CA-OG 3.44Å; Y34-S37 PolarHBondContact O-N 3.38Å; Y34-S37 PolarHBondContact O-OG 3.46Å; Y34-S37 VanDerWaalsContact O-OG 3.12Å; Y34-A38 HydrophobicContact CD1-CB 4.42Å; Y34-A38 HydrophobicContact CE1-CB 4.05Å; Y34-A38 WeakPolarHBondContact O-CB 3.19Å; Y34-A38 PolarHBondContact O-N 3.38Å
35V64.1Low58.6Low10 Ų1073.7 Ų73.76%0.06138%0.377CS..Hα-helixtrans-54.5-43.4172.1156.70000111.2D31 T32 Y33 N39 Y92 R185 Q224D31-V35 WeakPolarHBondContact O-CB 3.45Å; D31-V35 VanDerWaalsContact O-CG2 3.25Å; D31-V35 WeakPolarHBondContact O-CG2 3.37Å; D31-V35 PolarHBondContact O-N 3.34Å; T32-V35 PolarHBondContact O-N 2.95Å; Y33-V35 PolarHBondContact O-N 3.47Å; V35-N39 WeakPolarHBondContact O-CB 3.48Å; V35-N39 PolarHBondContact O-N 2.81Å; V35-Y92 HydrophobicContact CG1-CE1 4.13Å; V35-R185 VanDerWaalsContact CG1-NH1 3.28Å; V35-Q224 VanDerWaalsContact CG2-NE2 3.29Å
36I61.3Low56.7Low46 Ų4680.2 Ų80.224%0.23641%0.412CS..Hα-helixtrans-78.4-32.2-176-70.9165.8000112T32 Y33 Y34 N39 S40 Y92 M96T32-I36 WeakPolarHBondContact O-CD1 3.48Å; T32-I36 WeakPolarHBondContact O-CG1 3.42Å; T32-I36 PolarHBondContact O-N 3.24Å; T32-I36 VanDerWaalsContact O-N 3.11Å; Y33-I36 PolarHBondContact O-N 3.11Å; Y33-I36 VanDerWaalsContact O-N 3.1Å; Y34-I36 VanDerWaalsContact C-N 3.25Å; Y34-I36 PolarHBondContact O-N 3.43Å; I36-N39 CarbonylContact O-C 3.37Å; I36-S40 WeakPolarHBondContact O-CA 3.32Å; I36-S40 PolarHBondContact O-N 3.48Å; I36-Y92 HydrophobicContact CD1-CD1 4.18Å; I36-Y92 HydrophobicContact CD1-CG 4.37Å; I36-Y92 HydrophobicContact CG1-CD1 3.59Å; I36-Y92 HydrophobicContact CG1-CE1 4.24Å; I36-Y92 HydrophobicContact CG1-CG 3.96Å; I36-M96 HydrophobicContact CD1-CG 3.32Å; I36-M96 HydrophobicContact CD1-SD 3.72Å
37S55.8Low54.4Low51 Ų5182 Ų8236%0.35742%0.422SS..Hα-helixtrans-76.7-35.617361.60000113.2Y33 Y34 S40Y33-S37 PolarHBondContact O-N 3.35Å; Y33-S37 PolarHBondContact O-OG 3.34Å; Y34-S37 WeakPolarHBondContact CA-OG 3.44Å; Y34-S37 PolarHBondContact O-N 3.38Å; Y34-S37 PolarHBondContact O-OG 3.46Å; Y34-S37 VanDerWaalsContact O-OG 3.12Å; S37-S40 WeakPolarHBondContact O-CB 3.4Å; S37-S40 PolarHBondContact O-N 3.19Å; S37-S40 PolarHBondContact O-OG 3.15Å
38A52.9Low52.3Low56 Ų5684.9 Ų84.946%0.46343%0.433SS..Hα-helixtrans-76.2-39.7177.800000111.5Y34 S40Y34-A38 HydrophobicContact CD1-CB 4.42Å; Y34-A38 HydrophobicContact CE1-CB 4.05Å; Y34-A38 WeakPolarHBondContact O-CB 3.19Å; Y34-A38 PolarHBondContact O-N 3.38Å; A38-S40 PolarHBondContact O-N 3.12Å
39N51.9Low50.6Low78 Ų7889.2 Ų89.242%0.41746%0.456SS..THydrogen-bonded Turntrans-86.837.8163.9-56.5-15.7000111V35 I36 I41 Y92V35-N39 WeakPolarHBondContact O-CB 3.48Å; V35-N39 PolarHBondContact O-N 2.81Å; I36-N39 CarbonylContact O-C 3.37Å; N39-I41 PolarHBondContact O-N 3.34Å; N39-I41 VanDerWaalsContact O-N 3.09Å; N39-Y92 VanDerWaalsContact CB-OH 3.28Å; N39-Y92 WeakPolarHBondContact CB-OH 3.4Å; N39-Y92 PolarHBondContact ND2-OH 2.98Å; N39-Y92 VanDerWaalsContact ND2-OH 3.09Å
40S39.9Very low48.4Very low78 Ų7890.4 Ų90.455%0.54547%0.465SS..  trans-55121.6174.639.10000108.3I36 S37 A38 Q42I36-S40 WeakPolarHBondContact O-CA 3.32Å; I36-S40 PolarHBondContact O-N 3.48Å; S37-S40 WeakPolarHBondContact O-CB 3.4Å; S37-S40 PolarHBondContact O-N 3.19Å; S37-S40 PolarHBondContact O-OG 3.15Å; A38-S40 PolarHBondContact O-N 3.12Å; S40-Q42 PolarHBondContact O-N 3.2Å
41I40.8Very low46.4Very low62 Ų6294.1 Ų94.132%0.31847%0.473SS..  trans-54.5125.5-179.9-64.8167.8000107.3N39 F43 Y85N39-I41 PolarHBondContact O-N 3.34Å; N39-I41 VanDerWaalsContact O-N 3.09Å; I41-F43 HydrophobicContact CB-CD2 3.84Å; I41-F43 HydrophobicContact CB-CE2 3.81Å; I41-F43 HydrophobicContact CD1-CE2 4.21Å; I41-F43 HydrophobicContact CG2-CD2 3.66Å; I41-F43 HydrophobicContact CG2-CE2 3.62Å; I41-F43 HydrophobicContact CG2-CG 4.35Å; I41-F43 HydrophobicContact CG2-CZ 4.27Å; I41-F43 PolarHBondContact O-N 3.39Å; I41-Y85 HydrophobicContact CG2-CE1 4Å; I41-Y85 WeakPolarHBondContact CG2-OH 3.46Å
42Q33.4Very low44.6Very low150 Ų15098.7 Ų98.770%0.70149%0.493SS*.  trans-65.582.6172.9-78.4175.8-106.700109.4S40 I44S40-Q42 PolarHBondContact O-N 3.2Å; Q42-I44 PolarHBondContact O-N 2.95Å
43F32.9Very low43Very low166 Ų166103.8 Ų103.873%0.72852%0.516SS*.  trans-75.635.9166-84.4-77.5000111I41I41-F43 HydrophobicContact CB-CD2 3.84Å; I41-F43 HydrophobicContact CB-CE2 3.81Å; I41-F43 HydrophobicContact CD1-CE2 4.21Å; I41-F43 HydrophobicContact CG2-CD2 3.66Å; I41-F43 HydrophobicContact CG2-CE2 3.62Å; I41-F43 HydrophobicContact CG2-CG 4.35Å; I41-F43 HydrophobicContact CG2-CZ 4.27Å; I41-F43 PolarHBondContact O-N 3.39Å
44I29.5Very low41Very low127 Ų127101.7 Ų101.765%0.65151%0.512SS*.  trans-157.2110.8-174.7-51.8178000105.5Q42Q42-I44 PolarHBondContact O-N 2.95Å
45N29.5Very low39.6Very low104 Ų10498.2 Ų98.256%0.55651%0.506SS*.  cis-137.9172.3-6.9-85.4-8.7000108.2D47N45-D47 HydrophobicContact CB-CB 4.07Å; N45-D47 WeakPolarHBondContact CB-OD2 3.44Å; N45-D47 PolarHBondContact ND2-OD2 3.38Å; N45-D47 PolarHBondContact O-N 2.9Å; N45-D47 VanDerWaalsContact O-N 3.08Å
46D37.2Very low38.4Very low136 Ų136101.5 Ų101.573%0.72752%0.523SS*.THydrogen-bonded Turntrans-61.4-9.9165.8-69.3-63.4000113.9E48 I49D46-E48 PolarHBondContact O-N 3.48Å; D46-I49 WeakPolarHBondContact O-CB 3.28Å; D46-I49 PolarHBondContact O-N 3.21Å
47D30.1Very low36.9Very low103 Ų103104.8 Ų104.855%0.55154%0.541SS*.THydrogen-bonded Turntrans-61.8-34.5-175.4-63.2-47.1000114.2N45 I49 T50N45-D47 HydrophobicContact CB-CB 4.07Å; N45-D47 WeakPolarHBondContact CB-OD2 3.44Å; N45-D47 PolarHBondContact ND2-OD2 3.38Å; N45-D47 PolarHBondContact O-N 2.9Å; N45-D47 VanDerWaalsContact O-N 3.08Å; D47-I49 PolarHBondContact O-N 3.06Å; D47-T50 PolarHBondContact O-N 3.48Å; D47-T50 VanDerWaalsContact O-N 3.14Å; D47-T50 PolarHBondContact O-OG1 3.42Å
48E32Very low35.8Very low142 Ų142109.4 Ų109.466%0.66456%0.555SS**Hα-helixtrans-67.5-20.9-178.5-74.7-161.3144.800113.2D46 T50 Y51 E52D46-E48 PolarHBondContact O-N 3.48Å; E48-T50 PolarHBondContact O-N 3.46Å; E48-Y51 PolarHBondContact O-N 2.83Å; E48-E52 PolarHBondContact O-N 3.29Å
49I39.4Very low35.1Very low96 Ų96112.8 Ų112.849%0.49256%0.564SS.*Hα-helixtrans-60.5-32.6174.6-60.4175.2000110.6D46 D47 Y51 Q53D46-I49 WeakPolarHBondContact O-CB 3.28Å; D46-I49 PolarHBondContact O-N 3.21Å; D47-I49 PolarHBondContact O-N 3.06Å; I49-Y51 VanDerWaalsContact C-N 3.3Å; I49-Y51 PolarHBondContact O-N 3.12Å; I49-Q53 HydrophobicContact CG2-CG 4.48Å; I49-Q53 WeakPolarHBondContact O-CG 3.49Å; I49-Q53 PolarHBondContact O-N 2.62Å; I49-Q53 VanDerWaalsContact O-N 3.12Å
50T31Very low34Very low67 Ų67114.2 Ų114.241%0.41157%0.571SS.*Hα-helixtrans-69.4-26.1177.467.40000113D47 E48 Q54D47-T50 PolarHBondContact O-N 3.48Å; D47-T50 VanDerWaalsContact O-N 3.14Å; D47-T50 PolarHBondContact O-OG1 3.42Å; E48-T50 PolarHBondContact O-N 3.46Å; T50-Q54 WeakPolarHBondContact O-CB 3.45Å; T50-Q54 WeakPolarHBondContact O-CG 3.32Å; T50-Q54 PolarHBondContact O-N 3.15Å
51Y30.2Very low33.7Very low179 Ų179116 Ų11670%0.70258%0.578SS**Hα-helixtrans-74.2-41.4177.7-106.9-83000112.2E48 I49 S55E48-Y51 PolarHBondContact O-N 2.83Å; I49-Y51 VanDerWaalsContact C-N 3.3Å; I49-Y51 PolarHBondContact O-N 3.12Å; Y51-S55 PolarHBondContact O-N 2.88Å; Y51-S55 VanDerWaalsContact O-N 3.17Å
52E33.2Very low33.2Very low141 Ų141120.3 Ų120.366%0.65960%0.602SS**Hα-helixtrans-67.6-40.7172.8-72.3-154.2143.700111.6E48 Q54 S55 I56E48-E52 PolarHBondContact O-N 3.29Å; E52-Q54 PolarHBondContact O-N 3.13Å; E52-S55 WeakPolarHBondContact O-CA 3.33Å; E52-S55 WeakPolarHBondContact O-CB 3.48Å; E52-S55 PolarHBondContact O-N 2.94Å; E52-S55 PolarHBondContact O-OG 3.35Å; E52-I56 WeakPolarHBondContact O-CG1 3.36Å; E52-I56 PolarHBondContact O-N 3.46Å; E52-I56 VanDerWaalsContact O-N 3.08Å
53Q36.5Very low33Very low112 Ų112116.2 Ų116.252%0.52360%0.601SS.*Hα-helixtrans-59.9-46.6175.9-74.4176.3-17.500112.2I49 S55 I56 D57I49-Q53 HydrophobicContact CG2-CG 4.48Å; I49-Q53 WeakPolarHBondContact O-CG 3.49Å; I49-Q53 PolarHBondContact O-N 2.62Å; I49-Q53 VanDerWaalsContact O-N 3.12Å; Q53-S55 PolarHBondContact O-N 3.1Å; Q53-I56 PolarHBondContact O-N 3.47Å; Q53-I56 VanDerWaalsContact O-N 3.15Å; Q53-D57 PolarHBondContact O-N 3.49Å; Q53-D57 VanDerWaalsContact O-N 3.08Å
54Q31.9Very low32.8Very low100 Ų100116.1 Ų116.147%0.46761%0.608SS.*Hα-helixtrans-62.4-23.9173.5-77-171.132.900113.8T50 E52 K58T50-Q54 WeakPolarHBondContact O-CB 3.45Å; T50-Q54 WeakPolarHBondContact O-CG 3.32Å; T50-Q54 PolarHBondContact O-N 3.15Å; E52-Q54 PolarHBondContact O-N 3.13Å; Q54-K58 VanDerWaalsContact O-CD 3.27Å; Q54-K58 WeakPolarHBondContact O-CD 3.49Å; Q54-K58 VanDerWaalsContact O-CG 3.23Å; Q54-K58 WeakPolarHBondContact O-CG 3.47Å; Q54-K58 PolarHBondContact O-N 3.41Å
55S38.6Very low32.6Very low58 Ų58118.7 Ų118.741%0.40661%0.614SS.*Hα-helixtrans-75.8-38174.983.20000112.1Y51 E52 Q53 I59Y51-S55 PolarHBondContact O-N 2.88Å; Y51-S55 VanDerWaalsContact O-N 3.17Å; E52-S55 WeakPolarHBondContact O-CA 3.33Å; E52-S55 WeakPolarHBondContact O-CB 3.48Å; E52-S55 PolarHBondContact O-N 2.94Å; E52-S55 PolarHBondContact O-OG 3.35Å; Q53-S55 PolarHBondContact O-N 3.1Å; S55-I59 WeakPolarHBondContact O-CG1 3.48Å; S55-I59 PolarHBondContact O-N 3.06Å
56I38Very low32.6Very low79 Ų79120.7 Ų120.741%0.40562%0.624SS.*Hα-helixtrans-70.8-44179.9-66.1167.1000110.6E52 Q53 K58 I59 N60E52-I56 WeakPolarHBondContact O-CG1 3.36Å; E52-I56 PolarHBondContact O-N 3.46Å; E52-I56 VanDerWaalsContact O-N 3.08Å; Q53-I56 PolarHBondContact O-N 3.47Å; Q53-I56 VanDerWaalsContact O-N 3.15Å; I56-K58 VanDerWaalsContact C-N 3.29Å; I56-K58 PolarHBondContact O-N 3.09Å; I56-I59 PolarHBondContact O-N 3.01Å; I56-I59 VanDerWaalsContact O-N 3.1Å; I56-N60 PolarHBondContact O-N 3.48Å
57D30.8Very low32.3Very low116 Ų116120.5 Ų120.562%0.6262%0.618SS**Hα-helixtrans-64.3-33.1178-74.9-22.3000112.6Q53 I59 N60Q53-D57 PolarHBondContact O-N 3.49Å; Q53-D57 VanDerWaalsContact O-N 3.08Å; D57-I59 VanDerWaalsContact C-N 3.27Å; D57-I59 PolarHBondContact O-N 3.04Å; D57-N60 PolarHBondContact O-N 3.39Å
58K31.3Very low32.4Very low147 Ų147123.6 Ų123.664%0.63964%0.635SS**Hα-helixtrans-67.7-23.1174.4-76.6170.3-171.4159.30113.6Q54 I56Q54-K58 VanDerWaalsContact O-CD 3.27Å; Q54-K58 WeakPolarHBondContact O-CD 3.49Å; Q54-K58 VanDerWaalsContact O-CG 3.23Å; Q54-K58 WeakPolarHBondContact O-CG 3.47Å; Q54-K58 PolarHBondContact O-N 3.41Å; I56-K58 VanDerWaalsContact C-N 3.29Å; I56-K58 PolarHBondContact O-N 3.09Å
59I38.3Very low32.3Very low127 Ų127118.2 Ų118.265%0.65162%0.617SS**Hα-helixtrans-79.3-30.4177.6-68.6165.8000111.3S55 I56 D57 V61S55-I59 WeakPolarHBondContact O-CG1 3.48Å; S55-I59 PolarHBondContact O-N 3.06Å; I56-I59 PolarHBondContact O-N 3.01Å; I56-I59 VanDerWaalsContact O-N 3.1Å; D57-I59 VanDerWaalsContact C-N 3.27Å; D57-I59 PolarHBondContact O-N 3.04Å; I59-V61 VanDerWaalsContact C-N 3.28Å; I59-V61 PolarHBondContact O-N 3.26Å
60N29.1Very low32Very low108 Ų108118.5 Ų118.558%0.57862%0.62SS**THydrogen-bonded Turntrans-77.62.1-173.8-80.6-36.2000115.9I56 D57I56-N60 PolarHBondContact O-N 3.48Å; D57-N60 PolarHBondContact O-N 3.39Å
61V34.2Very low32Very low115 Ų115125.3 Ų125.370%0.69764%0.644SS**THydrogen-bonded Turntrans-76.5-30.6-178.5-176.40000112.7I59 G63I59-V61 VanDerWaalsContact C-N 3.28Å; I59-V61 PolarHBondContact O-N 3.26Å; V61-G63 PolarHBondContact O-N 2.99Å
62N31Very low32Very low154 Ų154122.9 Ų122.982%0.82464%0.643SS**SBendtrans-93.392.8179.1-77.7-9000110.6
63G27.4Very low32.1Very low64 Ų64120.3 Ų120.366%0.6663%0.632SS**  trans-66.8144.8-164.500000116.4V61V61-G63 PolarHBondContact O-N 2.99Å
64N29.6Very low31.7Very low164 Ų164120.8 Ų120.888%0.87764%0.638SS**  -138.1138.8126.8-99.5-46.3000108.9L66N64-L66 PolarHBondContact O-N 2.81Å; N64-L66 VanDerWaalsContact O-N 3.12Å
65K25.7Very low31.5Very low181 Ų181117.6 Ų117.679%0.78763%0.633SS**  trans-67.6109.6-176.9-76.5178.6161.3-126.40110.7E67K65-E67 WeakPolarHBondContact CD-OE1 3.42Å; K65-E67 WeakPolarHBondContact CE-OE1 3.29Å; K65-E67 IonicContact NZ-OE1 3.22Å; K65-E67 PolarHBondContact NZ-OE1 3.11Å
66L28.9Very low31Very low145 Ų145119.4 Ų119.476%0.75964%0.638SS**  trans-120.559.2169-138.8159.9000109.6N64 N68 G69N64-L66 PolarHBondContact O-N 2.81Å; N64-L66 VanDerWaalsContact O-N 3.12Å; L66-N68 PolarHBondContact O-N 3.09Å; L66-G69 PolarHBondContact O-N 3.22Å
67E31.6Very low30.7Very low132 Ų132119.5 Ų119.562%0.61764%0.638SS**THydrogen-bonded Turntrans-56.2134.7178.7-67.2169.1-168.900109.8K65K65-E67 WeakPolarHBondContact CD-OE1 3.42Å; K65-E67 WeakPolarHBondContact CE-OE1 3.29Å; K65-E67 IonicContact NZ-OE1 3.22Å; K65-E67 PolarHBondContact NZ-OE1 3.11Å
68N32Very low30.5Very low169 Ų169119.6 Ų119.690%0.90464%0.638SS**THydrogen-bonded Turntrans85.40.5-175.7-51-49000119.4L66L66-N68 PolarHBondContact O-N 3.09Å
69G30.4Very low30.2Very low28 Ų28119.7 Ų119.729%0.28964%0.639SS.*  trans-73.4-40.4176.500000116.3L66 K71L66-G69 PolarHBondContact O-N 3.22Å; G69-K71 PolarHBondContact O-N 2.82Å
70N32.4Very low30Very low102 Ų102118.5 Ų118.555%0.54563%0.633SS.*THydrogen-bonded Turntrans-76.7-13-151.4-67.34.3000116.9L72 I73N70-L72 VanDerWaalsContact C-N 3.28Å; N70-L72 PolarHBondContact O-N 3.22Å; N70-I73 PolarHBondContact O-N 2.83Å
71K30.9Very low30.3Very low210 Ų210116.9 Ų116.991%0.91363%0.627SS**Hα-helixtrans-67.7-24.3178.5-88.5-171.3174.7-179.20114G69G69-K71 PolarHBondContact O-N 2.82Å
72L30.4Very low30.4Very low129 Ų129115.9 Ų115.968%0.67562%0.617SS**Hα-helixtrans-80.4-26.9177.2-85.1158.2000113.2N70 N76N70-L72 VanDerWaalsContact C-N 3.28Å; N70-L72 PolarHBondContact O-N 3.22Å; L72-N76 VanDerWaalsContact O-CG 3.29Å; L72-N76 PolarHBondContact O-N 3Å; L72-N76 PolarHBondContact O-ND2 3.24Å
73I34.4Very low30.6Very low87 Ų87114.1 Ų114.145%0.44660%0.603SS.*Hα-helixtrans-72.9-49.8-172.3-59.5177000110.6N70 G75 N76 I77N70-I73 PolarHBondContact O-N 2.83Å; I73-G75 VanDerWaalsContact C-N 3.31Å; I73-G75 PolarHBondContact O-N 3.49Å; I73-N76 PolarHBondContact O-N 3.14Å; I73-N76 VanDerWaalsContact O-N 3.16Å; I73-I77 HydrophobicContact CG2-CD1 3.81Å; I73-I77 HydrophobicContact CG2-CG1 4.45Å; I73-I77 WeakPolarHBondContact O-CG1 3.27Å; I73-I77 PolarHBondContact O-N 3.09Å
74N29.2Very low31.5Very low121 Ų121114.5 Ų114.565%0.64759%0.59SS**Hα-helixtrans-62.5-36.7-178.2-68.119.3000112.6L78N74-L78 PolarHBondContact O-N 3.42Å
75G27Very low32.3Very low34 Ų34111.7 Ų111.735%0.35157%0.568SS.*Hα-helixtrans-63-48.2173.900000111.9I73 I77 L78 F79I73-G75 VanDerWaalsContact C-N 3.31Å; I73-G75 PolarHBondContact O-N 3.49Å; G75-I77 PolarHBondContact O-N 2.88Å; G75-L78 PolarHBondContact O-N 3.35Å; G75-F79 WeakPolarHBondContact O-CD2 3.32Å; G75-F79 PolarHBondContact O-N 2.84Å
76N27.8Very low33.3Very low95 Ų95109 Ų10951%0.50856%0.558SS.*Hα-helixtrans-62.9-38.7-179.9-73.2-18.3000112.8L72 I73 F79 I80L72-N76 VanDerWaalsContact O-CG 3.29Å; L72-N76 PolarHBondContact O-N 3Å; L72-N76 PolarHBondContact O-ND2 3.24Å; I73-N76 PolarHBondContact O-N 3.14Å; I73-N76 VanDerWaalsContact O-N 3.16Å; N76-F79 PolarHBondContact O-N 3.3Å; N76-I80 WeakPolarHBondContact O-CB 3.32Å; N76-I80 WeakPolarHBondContact O-CD1 3.48Å; N76-I80 WeakPolarHBondContact O-CG1 3.39Å; N76-I80 PolarHBondContact O-N 3.26Å
77I32.7Very low34.4Very low81 Ų81107.4 Ų107.442%0.41555%0.546SS..Hα-helixtrans-63.5-47.7178-66.4169.2000110.8I73 G75 F79 I80 T81I73-I77 HydrophobicContact CG2-CD1 3.81Å; I73-I77 HydrophobicContact CG2-CG1 4.45Å; I73-I77 WeakPolarHBondContact O-CG1 3.27Å; I73-I77 PolarHBondContact O-N 3.09Å; G75-I77 PolarHBondContact O-N 2.88Å; I77-F79 VanDerWaalsContact C-N 3.31Å; I77-F79 PolarHBondContact O-N 3.09Å; I77-I80 PolarHBondContact O-N 3.35Å; I77-I80 VanDerWaalsContact O-N 3.13Å; I77-T81 PolarHBondContact O-N 3.36Å; I77-T81 VanDerWaalsContact O-N 3.1Å; I77-T81 PolarHBondContact O-OG1 3.07Å
78L25.7Very low35.7Very low118 Ų118103 Ų10362%0.61853%0.528SS*.Hα-helixtrans-63.8-35.3178.9-159.985.1000112.6N74 G75 T81 N82N74-L78 PolarHBondContact O-N 3.42Å; G75-L78 PolarHBondContact O-N 3.35Å; L78-T81 PolarHBondContact O-OG1 2.96Å; L78-T81 VanDerWaalsContact O-OG1 3.07Å; L78-N82 PolarHBondContact O-N 2.81Å
79F26.1Very low36.9Very low149 Ų14998.5 Ų98.565%0.65450%0.504SS*.Hα-helixtrans-67.6-42171.9-90.8-73.4000111.9G75 N76 I77 T81 N82 F83G75-F79 WeakPolarHBondContact O-CD2 3.32Å; G75-F79 PolarHBondContact O-N 2.84Å; N76-F79 PolarHBondContact O-N 3.3Å; I77-F79 VanDerWaalsContact C-N 3.31Å; I77-F79 PolarHBondContact O-N 3.09Å; F79-T81 PolarHBondContact O-N 2.6Å; F79-N82 PolarHBondContact O-N 3.08Å; F79-F83 WeakPolarHBondContact O-CB 3.45Å; F79-F83 PolarHBondContact O-N 3.01Å
80I34.3Very low38.4Very low103 Ų103101.1 Ų101.153%0.52851%0.514SS..Hα-helixtrans-65.6-36.8-177.6-73163.3000112.4N76 I77 N84N76-I80 WeakPolarHBondContact O-CB 3.32Å; N76-I80 WeakPolarHBondContact O-CD1 3.48Å; N76-I80 WeakPolarHBondContact O-CG1 3.39Å; N76-I80 PolarHBondContact O-N 3.26Å; I77-I80 PolarHBondContact O-N 3.35Å; I77-I80 VanDerWaalsContact O-N 3.13Å; I80-N84 WeakPolarHBondContact O-CB 3.48Å; I80-N84 PolarHBondContact O-N 2.99Å; I80-N84 VanDerWaalsContact O-N 3.17Å; I80-N84 PolarHBondContact O-ND2 3.28Å
81T35.4Very low39.9Very low73 Ų7397.8 Ų97.845%0.44850%0.497SS..Hα-helixtrans-66.8-49.9176.149.50000111.2I77 L78 F79 F83 N84 Y85I77-T81 PolarHBondContact O-N 3.36Å; I77-T81 VanDerWaalsContact O-N 3.1Å; I77-T81 PolarHBondContact O-OG1 3.07Å; L78-T81 PolarHBondContact O-OG1 2.96Å; L78-T81 VanDerWaalsContact O-OG1 3.07Å; F79-T81 PolarHBondContact O-N 2.6Å; T81-F83 PolarHBondContact O-N 2.96Å; T81-N84 WeakPolarHBondContact O-CB 3.34Å; T81-N84 PolarHBondContact O-N 2.85Å; T81-Y85 PolarHBondContact O-N 3.22Å; T81-Y85 VanDerWaalsContact O-N 3.09Å
82N34.9Very low41.6Very low94 Ų9489.7 Ų89.750%0.50346%0.461SS..Hα-helixtrans-61.3-46.5178.7-71.2-7.1000112.4L78 F79 N84 Y85 E86L78-N82 PolarHBondContact O-N 2.81Å; F79-N82 PolarHBondContact O-N 3.08Å; N82-N84 VanDerWaalsContact C-N 3.27Å; N82-N84 PolarHBondContact O-N 2.77Å; N82-Y85 WeakPolarHBondContact O-CB 3.44Å; N82-Y85 PolarHBondContact O-N 3.4Å; N82-Y85 VanDerWaalsContact O-N 3.09Å; N82-E86 PolarHBondContact O-N 3.23Å
83F35Very low43.5Very low118 Ų11891.3 Ų91.352%0.51846%0.46SS..Hα-helixtrans-63.5-31.7178.6-127.9-94.4000112.8F79 T81 H87F79-F83 WeakPolarHBondContact O-CB 3.45Å; F79-F83 PolarHBondContact O-N 3.01Å; T81-F83 PolarHBondContact O-N 2.96Å; F83-H87 AromaticContact CD1-CD2 3.71Å; F83-H87 AromaticContact CD1-NE2 3.6Å; F83-H87 AromaticContact CE1-NE2 3.53Å; F83-H87 WeakPolarHBondContact O-CB 3.3Å; F83-H87 PolarHBondContact O-CD2 3.07Å; F83-H87 PolarHBondContact O-N 2.99Å
84N46.3Very low45.2Very low72 Ų7289.4 Ų89.439%0.38545%0.452SS..Hα-helixtrans-66.8-44.5172.6-93.1-69.4000111.5I80 T81 N82 H87 T88 K188I80-N84 WeakPolarHBondContact O-CB 3.48Å; I80-N84 PolarHBondContact O-N 2.99Å; I80-N84 VanDerWaalsContact O-N 3.17Å; I80-N84 PolarHBondContact O-ND2 3.28Å; T81-N84 WeakPolarHBondContact O-CB 3.34Å; T81-N84 PolarHBondContact O-N 2.85Å; N82-N84 VanDerWaalsContact C-N 3.27Å; N82-N84 PolarHBondContact O-N 2.77Å; N84-H87 PolarHBondContact O-N 3Å; N84-T88 PolarHBondContact O-N 2.87Å; N84-T88 PolarHBondContact O-OG1 3.01Å; N84-K188 PolarHBondContact OD1-NZ 2.83Å
85Y46.3Very low47.1Very low105 Ų10583.8 Ų83.841%0.41242%0.422SS..Hα-helixtrans-61.4-52.1-179.5-126.7-84.4000111.4I41 T81 N82 H87 T88 L89I41-Y85 HydrophobicContact CG2-CE1 4Å; I41-Y85 WeakPolarHBondContact CG2-OH 3.46Å; T81-Y85 PolarHBondContact O-N 3.22Å; T81-Y85 VanDerWaalsContact O-N 3.09Å; N82-Y85 WeakPolarHBondContact O-CB 3.44Å; N82-Y85 PolarHBondContact O-N 3.4Å; N82-Y85 VanDerWaalsContact O-N 3.09Å; Y85-H87 PolarHBondContact O-N 3.48Å; Y85-T88 PolarHBondContact O-N 3.26Å; Y85-T88 PolarHBondContact O-OG1 3.41Å; Y85-L89 VanDerWaalsContact O-CB 3.31Å; Y85-L89 WeakPolarHBondContact O-CB 3.34Å; Y85-L89 PolarHBondContact O-N 3.32Å
86E47.6Very low49.3Very low124 Ų12484.9 Ų84.958%0.57942%0.419SS*.Hα-helixtrans-56-47.6177.3-72.7-175.1174.900111.5N82 T88 L89 V90N82-E86 PolarHBondContact O-N 3.23Å; E86-T88 PolarHBondContact O-N 2.86Å; E86-L89 PolarHBondContact O-N 3.19Å; E86-V90 WeakPolarHBondContact O-CB 3.39Å; E86-V90 VanDerWaalsContact O-CG2 3.31Å; E86-V90 WeakPolarHBondContact O-CG2 3.26Å; E86-V90 PolarHBondContact O-N 2.96Å
87H52.4Low51.5Low111 Ų11185.9 Ų85.951%0.51442%0.419SS..Hα-helixtrans-63.2-42178.5-84.5-42.4000113.1F83 N84 Y85 T91F83-H87 AromaticContact CD1-CD2 3.71Å; F83-H87 AromaticContact CD1-NE2 3.6Å; F83-H87 AromaticContact CE1-NE2 3.53Å; F83-H87 WeakPolarHBondContact O-CB 3.3Å; F83-H87 PolarHBondContact O-CD2 3.07Å; F83-H87 PolarHBondContact O-N 2.99Å; N84-H87 PolarHBondContact O-N 3Å; Y85-H87 PolarHBondContact O-N 3.48Å; H87-T91 PolarHBondContact O-N 3.28Å; H87-T91 PolarHBondContact O-OG1 3.47Å
88T58.1Low53.5Low39 Ų3982 Ų8224%0.23940%0.399CS..Hα-helixtrans-65-42.9175.635.40000112.2N84 Y85 E86 T91 Y92N84-T88 PolarHBondContact O-N 2.87Å; N84-T88 PolarHBondContact O-OG1 3.01Å; Y85-T88 PolarHBondContact O-N 3.26Å; Y85-T88 PolarHBondContact O-OG1 3.41Å; E86-T88 PolarHBondContact O-N 2.86Å; T88-T91 WeakPolarHBondContact CA-OG1 3.46Å; T88-T91 PolarHBondContact O-N 2.98Å; T88-T91 PolarHBondContact O-OG1 2.83Å; T88-Y92 WeakPolarHBondContact O-CD2 3.4Å; T88-Y92 PolarHBondContact O-N 3.42Å
89L56.8Low55.9Low75 Ų7576.4 Ų76.439%0.39337%0.369SS..Hα-helixtrans-62.1-46.3179-177.6144.1000110.8Y85 E86 T91 Y92 Y93Y85-L89 VanDerWaalsContact O-CB 3.31Å; Y85-L89 WeakPolarHBondContact O-CB 3.34Å; Y85-L89 PolarHBondContact O-N 3.32Å; E86-L89 PolarHBondContact O-N 3.19Å; L89-T91 PolarHBondContact O-N 2.83Å; L89-Y92 PolarHBondContact O-N 3.26Å; L89-Y93 HydrophobicContact CD1-CE2 4.29Å; L89-Y93 HydrophobicContact CD2-CD2 3.6Å; L89-Y93 HydrophobicContact CD2-CE2 3.69Å; L89-Y93 HydrophobicContact CG-CD2 3.83Å; L89-Y93 HydrophobicContact CG-CE2 3.74Å; L89-Y93 VanDerWaalsContact O-CD2 3.31Å; L89-Y93 WeakPolarHBondContact O-CD2 3.09Å; L89-Y93 PolarHBondContact O-N 3.5Å
90V62.3Low58.3Low84 Ų8472 Ų7251%0.50935%0.354SS..Hα-helixtrans-61.4-40.2174.6170.40000111.9E86 T94E86-V90 WeakPolarHBondContact O-CB 3.39Å; E86-V90 VanDerWaalsContact O-CG2 3.31Å; E86-V90 WeakPolarHBondContact O-CG2 3.26Å; E86-V90 PolarHBondContact O-N 2.96Å; V90-T94 WeakPolarHBondContact O-CB 3.46Å; V90-T94 PolarHBondContact O-N 3.22Å; V90-T94 PolarHBondContact O-OG1 3.47Å
91T63.7Low60.3Low31 Ų3168.4 Ų68.419%0.1934%0.336CS..Hα-helixtrans-64.5-40.9175.547.90000112.7H87 T88 L89 T94 E95 T181H87-T91 PolarHBondContact O-N 3.28Å; H87-T91 PolarHBondContact O-OG1 3.47Å; T88-T91 WeakPolarHBondContact CA-OG1 3.46Å; T88-T91 PolarHBondContact O-N 2.98Å; T88-T91 PolarHBondContact O-OG1 2.83Å; L89-T91 PolarHBondContact O-N 2.83Å; T91-T94 WeakPolarHBondContact CA-OG1 3.17Å; T91-T94 PolarHBondContact O-N 3.29Å; T91-T94 PolarHBondContact O-OG1 2.74Å; T91-T94 VanDerWaalsContact O-OG1 3.13Å; T91-E95 WeakPolarHBondContact O-CG 3.46Å; T91-E95 PolarHBondContact O-N 2.85Å; T91-T181 HydrophobicContact CG2-CG2 4.28Å
92Y67.3Low62.2Low40 Ų4064.9 Ų64.916%0.15732%0.315CS..Hα-helixtrans-70.7-40.1178.8-67.4-46.9000112.9V35 I36 N39 T88 L89 T94 E95 M96V35-Y92 HydrophobicContact CG1-CE1 4.13Å; I36-Y92 HydrophobicContact CD1-CD1 4.18Å; I36-Y92 HydrophobicContact CD1-CG 4.37Å; I36-Y92 HydrophobicContact CG1-CD1 3.59Å; I36-Y92 HydrophobicContact CG1-CE1 4.24Å; I36-Y92 HydrophobicContact CG1-CG 3.96Å; N39-Y92 VanDerWaalsContact CB-OH 3.28Å; N39-Y92 WeakPolarHBondContact CB-OH 3.4Å; N39-Y92 PolarHBondContact ND2-OH 2.98Å; N39-Y92 VanDerWaalsContact ND2-OH 3.09Å; T88-Y92 WeakPolarHBondContact O-CD2 3.4Å; T88-Y92 PolarHBondContact O-N 3.42Å; L89-Y92 PolarHBondContact O-N 3.26Å; Y92-T94 VanDerWaalsContact C-N 3.29Å; Y92-T94 PolarHBondContact O-N 3.44Å; Y92-E95 PolarHBondContact O-N 2.89Å; Y92-M96 WeakPolarHBondContact O-CG 3.48Å; Y92-M96 PolarHBondContact O-N 3.48Å
93Y70.6Confident64.4Low164 Ų16463.9 Ų63.964%0.64331%0.306SS*.Hα-helixtrans-64.1-33.3173.7-84.3-69.3000112.6L89 F97L89-Y93 HydrophobicContact CD1-CE2 4.29Å; L89-Y93 HydrophobicContact CD2-CD2 3.6Å; L89-Y93 HydrophobicContact CD2-CE2 3.69Å; L89-Y93 HydrophobicContact CG-CD2 3.83Å; L89-Y93 HydrophobicContact CG-CE2 3.74Å; L89-Y93 VanDerWaalsContact O-CD2 3.31Å; L89-Y93 WeakPolarHBondContact O-CD2 3.09Å; L89-Y93 PolarHBondContact O-N 3.5Å; Y93-F97 VanDerWaalsContact O-CB 3.3Å; Y93-F97 WeakPolarHBondContact O-CB 3.46Å; Y93-F97 PolarHBondContact O-N 2.9Å
94T70.2Confident66.5Low47 Ų4761.7 Ų61.729%0.28830%0.299SS..Hα-helixtrans-78.9-30.5176.146.10000113.6V90 T91 Y92 G98 T181V90-T94 WeakPolarHBondContact O-CB 3.46Å; V90-T94 PolarHBondContact O-N 3.22Å; V90-T94 PolarHBondContact O-OG1 3.47Å; T91-T94 WeakPolarHBondContact CA-OG1 3.17Å; T91-T94 PolarHBondContact O-N 3.29Å; T91-T94 PolarHBondContact O-OG1 2.74Å; T91-T94 VanDerWaalsContact O-OG1 3.13Å; Y92-T94 VanDerWaalsContact C-N 3.29Å; Y92-T94 PolarHBondContact O-N 3.44Å; T94-G98 PolarHBondContact O-N 3Å; T94-T181 WeakPolarHBondContact OG1-CG2 3.32Å
95E68.2Low67.9Low2 Ų258.3 Ų58.31%0.00928%0.281CS..Hα-helixtrans-63-46.9166.2-76-178.1-176.100111T32 T91 Y92 G98 S99 T181 R185T32-E95 HydrophobicContact CG2-CB 4.24Å; T91-E95 WeakPolarHBondContact O-CG 3.46Å; T91-E95 PolarHBondContact O-N 2.85Å; Y92-E95 PolarHBondContact O-N 2.89Å; E95-G98 PolarHBondContact O-N 3.44Å; E95-S99 WeakPolarHBondContact O-CB 3.29Å; E95-S99 PolarHBondContact O-N 3.47Å; E95-S99 PolarHBondContact O-OG 3.46Å; E95-S99 VanDerWaalsContact O-OG 3.12Å; E95-T181 HydrophobicContact CG-CG2 4.15Å; E95-T181 WeakPolarHBondContact CG-OG1 3.38Å; E95-R185 IonicContact OE1-NH1 3.75Å; E95-R185 IonicContact OE2-NH1 2.71Å; E95-R185 PolarHBondContact OE2-NH1 2.98Å
96M73.7Confident69.4Low57 Ų5753.3 Ų53.328%0.28126%0.261SS..Hα-helixtrans-61.6-50.3175.5-74-64.4-7800112.2I36 Y92 G98 S99 V100I36-M96 HydrophobicContact CD1-CG 3.32Å; I36-M96 HydrophobicContact CD1-SD 3.72Å; Y92-M96 WeakPolarHBondContact O-CG 3.48Å; Y92-M96 PolarHBondContact O-N 3.48Å; M96-G98 VanDerWaalsContact C-N 3.34Å; M96-G98 PolarHBondContact O-N 2.91Å; M96-S99 WeakPolarHBondContact CA-OG 3.27Å; M96-S99 PolarHBondContact O-N 3.33Å; M96-S99 PolarHBondContact O-OG 2.78Å; M96-V100 WeakPolarHBondContact O-CG2 3.33Å; M96-V100 PolarHBondContact O-N 3.09Å
97F73.7Confident70.8Confident116 Ų11649 Ų4951%0.50925%0.245SC..Hα-helixtrans-61.9-41.7179.9-167.5-107000112Y93 S99 V100 L101 M177Y93-F97 VanDerWaalsContact O-CB 3.3Å; Y93-F97 WeakPolarHBondContact O-CB 3.46Å; Y93-F97 PolarHBondContact O-N 2.9Å; F97-S99 VanDerWaalsContact C-N 3.34Å; F97-S99 PolarHBondContact O-N 3.37Å; F97-V100 PolarHBondContact O-N 3.09Å; F97-L101 HydrophobicContact CD1-CD1 3.91Å; F97-L101 HydrophobicContact CD1-CG 4.31Å; F97-L101 HydrophobicContact CE1-CD1 3.67Å; F97-L101 HydrophobicContact CE1-CD2 4.45Å; F97-L101 HydrophobicContact CE1-CG 4.11Å; F97-L101 HydrophobicContact CZ-CD1 4.39Å; F97-L101 HydrophobicContact CZ-CD2 4.37Å; F97-L101 HydrophobicContact CZ-CG 4.42Å; F97-L101 WeakPolarHBondContact O-CB 3.37Å; F97-L101 WeakPolarHBondContact O-CG 3.36Å; F97-L101 PolarHBondContact O-N 3.24Å; F97-M177 HydrophobicContact CD1-CE 4.43Å; F97-M177 HydrophobicContact CD1-SD 3.94Å
98G74Confident72Confident0 Ų046 Ų460%023%0.233CC..Hα-helixtrans-64.2-34.2175.800000114T94 E95 M96 N102T94-G98 PolarHBondContact O-N 3Å; E95-G98 PolarHBondContact O-N 3.44Å; M96-G98 VanDerWaalsContact C-N 3.34Å; M96-G98 PolarHBondContact O-N 2.91Å; G98-N102 PolarHBondContact O-N 2.81Å; G98-N102 PolarHBondContact O-ND2 3.32Å
99S76.1Confident72.9Confident0 Ų044.2 Ų44.20%022%0.221CC..Hα-helixtrans-75.3-40.7175.162.60000113N28 L29 T32 E95 M96 F97 L101 N102 F103N28-S99 VanDerWaalsContact ND2-CB 3.31Å; N28-S99 WeakPolarHBondContact ND2-CB 3.48Å; L29-S99 WeakPolarHBondContact CD1-OG 3.02Å; T32-S99 WeakPolarHBondContact OG1-CB 3.32Å; T32-S99 PolarHBondContact OG1-OG 3.37Å; E95-S99 WeakPolarHBondContact O-CB 3.29Å; E95-S99 PolarHBondContact O-N 3.47Å; E95-S99 PolarHBondContact O-OG 3.46Å; E95-S99 VanDerWaalsContact O-OG 3.12Å; M96-S99 WeakPolarHBondContact CA-OG 3.27Å; M96-S99 PolarHBondContact O-N 3.33Å; M96-S99 PolarHBondContact O-OG 2.78Å; F97-S99 VanDerWaalsContact C-N 3.34Å; F97-S99 PolarHBondContact O-N 3.37Å; S99-L101 PolarHBondContact O-N 2.93Å; S99-N102 PolarHBondContact O-N 2.93Å; S99-F103 PolarHBondContact O-N 3.25Å
100V77.3Confident73.8Confident56 Ų5641.9 Ų41.934%0.33921%0.209SC..Hα-helixtrans-62.5-40.8173.6169.40000111.4L29 M96 F97 N102 F103 I104L29-V100 HydrophobicContact CD1-CG2 3.88Å; M96-V100 WeakPolarHBondContact O-CG2 3.33Å; M96-V100 PolarHBondContact O-N 3.09Å; F97-V100 PolarHBondContact O-N 3.09Å; V100-N102 VanDerWaalsContact C-N 3.34Å; V100-N102 PolarHBondContact O-N 3.37Å; V100-F103 PolarHBondContact O-N 2.68Å; V100-I104 HydrophobicContact CG1-CD1 3.73Å; V100-I104 HydrophobicContact CG1-CG1 4.35Å; V100-I104 WeakPolarHBondContact O-CG1 3.49Å; V100-I104 PolarHBondContact O-N 2.92Å
101L76.2Confident74.3Confident28 Ų2840.7 Ų40.715%0.14720%0.202CC..Hα-helixtrans-59.1-42.3173-75.4178.8000112.4F97 S99 I104 S105F97-L101 HydrophobicContact CD1-CD1 3.91Å; F97-L101 HydrophobicContact CD1-CG 4.31Å; F97-L101 HydrophobicContact CE1-CD1 3.67Å; F97-L101 HydrophobicContact CE1-CD2 4.45Å; F97-L101 HydrophobicContact CE1-CG 4.11Å; F97-L101 HydrophobicContact CZ-CD1 4.39Å; F97-L101 HydrophobicContact CZ-CD2 4.37Å; F97-L101 HydrophobicContact CZ-CG 4.42Å; F97-L101 WeakPolarHBondContact O-CB 3.37Å; F97-L101 WeakPolarHBondContact O-CG 3.36Å; F97-L101 PolarHBondContact O-N 3.24Å; S99-L101 PolarHBondContact O-N 2.93Å; L101-I104 PolarHBondContact O-N 3.31Å; L101-S105 WeakPolarHBondContact O-CB 3.4Å; L101-S105 PolarHBondContact O-N 3.47Å; L101-S105 PolarHBondContact O-OG 3.13Å
102N76.2Confident74.6Confident0 Ų039.2 Ų39.20%019%0.193CC..Hα-helixtrans-68.2-33.1176.6-84.4-74.2000113.1S25 G98 S99 V100 S105 A106 G171 C175 N235S25-N102 WeakPolarHBondContact CB-O 3.38Å; G98-N102 PolarHBondContact O-N 2.81Å; G98-N102 PolarHBondContact O-ND2 3.32Å; S99-N102 PolarHBondContact O-N 2.93Å; V100-N102 VanDerWaalsContact C-N 3.34Å; V100-N102 PolarHBondContact O-N 3.37Å; N102-S105 WeakPolarHBondContact CA-OG 3.38Å; N102-S105 PolarHBondContact O-OG 3.28Å; N102-A106 WeakPolarHBondContact O-CB 3.31Å; N102-A106 PolarHBondContact O-N 3.4Å; N102-G171 PolarHBondContact ND2-O 2.98Å; N102-G171 PolarHBondContact OD1-O 3.2Å; N102-C175 PolarHBondContact ND2-N 3.49Å; N102-C175 PolarHBondContact OD1-SG 2.99Å; N102-N235 PolarHBondContact OD1-ND2 3.11Å
103F79.8Confident74.9Confident73 Ų7338.4 Ų38.432%0.3219%0.191SC..Hα-helixtrans-70.1-42.3173.5176.7-101.5000111.9L22 I26 L29 S99 V100 S105 A106 S107L22-F103 HydrophobicContact CD1-CD2 4.11Å; L22-F103 HydrophobicContact CD1-CE2 3.88Å; I26-F103 HydrophobicContact CD1-CE2 4.17Å; I26-F103 HydrophobicContact CG1-CD2 3.81Å; I26-F103 HydrophobicContact CG1-CE2 3.69Å; L29-F103 HydrophobicContact CD2-CB 4.37Å; L29-F103 HydrophobicContact CD2-CD2 4.4Å; L29-F103 HydrophobicContact CD2-CG 4.23Å; S99-F103 PolarHBondContact O-N 3.25Å; V100-F103 PolarHBondContact O-N 2.68Å; F103-S105 VanDerWaalsContact C-N 3.35Å; F103-A106 PolarHBondContact O-N 2.88Å; F103-S107 VanDerWaalsContact O-CB 3.31Å; F103-S107 WeakPolarHBondContact O-CB 3.32Å; F103-S107 PolarHBondContact O-N 3.2Å; F103-S107 PolarHBondContact O-OG 3.29Å
104I79Confident74.8Confident72 Ų7234 Ų3437%0.36918%0.178SC..Hα-helixtrans-63.4-41.6174.7-69.3168.8000110.4V100 L101 S107 L108V100-I104 HydrophobicContact CG1-CD1 3.73Å; V100-I104 HydrophobicContact CG1-CG1 4.35Å; V100-I104 WeakPolarHBondContact O-CG1 3.49Å; V100-I104 PolarHBondContact O-N 2.92Å; L101-I104 PolarHBondContact O-N 3.31Å; I104-S107 WeakPolarHBondContact CA-OG 3.27Å; I104-S107 PolarHBondContact O-OG 2.9Å; I104-S107 VanDerWaalsContact O-OG 3.12Å; I104-L108 HydrophobicContact CG2-CD1 3.8Å; I104-L108 HydrophobicContact CG2-CG 4.41Å; I104-L108 WeakPolarHBondContact O-CB 3.32Å; I104-L108 WeakPolarHBondContact O-CG 3.49Å; I104-L108 PolarHBondContact O-N 3.3Å
105S77Confident74.5Confident0 Ų033.5 Ų33.50%017%0.173CC..Hα-helixtrans-67.2-41.3178.970.30000113Y21 L101 N102 F103 Y109 A167Y21-S105 WeakPolarHBondContact OH-CB 3.39Å; Y21-S105 PolarHBondContact OH-OG 2.86Å; L101-S105 WeakPolarHBondContact O-CB 3.4Å; L101-S105 PolarHBondContact O-N 3.47Å; L101-S105 PolarHBondContact O-OG 3.13Å; N102-S105 WeakPolarHBondContact CA-OG 3.38Å; N102-S105 PolarHBondContact O-OG 3.28Å; F103-S105 VanDerWaalsContact C-N 3.35Å; S105-Y109 VanDerWaalsContact O-CB 3.23Å; S105-Y109 WeakPolarHBondContact O-CB 3.47Å; S105-Y109 PolarHBondContact O-N 3.16Å; S105-A167 VanDerWaalsContact CB-C 3.44Å; S105-A167 WeakPolarHBondContact CB-O 3.26Å
106A76.9Confident74.4Confident0 Ų034.5 Ų34.50%018%0.18CC..Hα-helixtrans-69.9-41.7176.600000112.9Y21 L22 S25 N102 F103 Y109 L110Y21-A106 HydrophobicContact CD1-CB 3.9Å; Y21-A106 HydrophobicContact CD2-CB 3.69Å; Y21-A106 VanDerWaalsContact CE1-CA 3.5Å; Y21-A106 HydrophobicContact CE1-CB 3.95Å; Y21-A106 HydrophobicContact CE2-CB 3.75Å; Y21-A106 HydrophobicContact CG-CB 3.78Å; L22-A106 HydrophobicContact CB-CB 4.37Å; L22-A106 HydrophobicContact CD1-CB 4.11Å; S25-A106 WeakPolarHBondContact OG-CB 3.26Å; N102-A106 WeakPolarHBondContact O-CB 3.31Å; N102-A106 PolarHBondContact O-N 3.4Å; F103-A106 PolarHBondContact O-N 2.88Å; A106-Y109 PolarHBondContact O-N 3.36Å; A106-L110 WeakPolarHBondContact O-CB 3.31Å; A106-L110 PolarHBondContact O-N 3.47Å
107S78.1Confident73.8Confident33 Ų3334.3 Ų34.323%0.23118%0.179CC..Hα-helixtrans-67.2-43.4177.956.20000112.2F103 I104 L110 T111F103-S107 VanDerWaalsContact O-CB 3.31Å; F103-S107 WeakPolarHBondContact O-CB 3.32Å; F103-S107 PolarHBondContact O-N 3.2Å; F103-S107 PolarHBondContact O-OG 3.29Å; I104-S107 WeakPolarHBondContact CA-OG 3.27Å; I104-S107 PolarHBondContact O-OG 2.9Å; I104-S107 VanDerWaalsContact O-OG 3.12Å; S107-L110 PolarHBondContact O-N 3.3Å; S107-T111 WeakPolarHBondContact O-CG2 3.44Å; S107-T111 PolarHBondContact O-N 2.99Å; S107-T111 PolarHBondContact O-OG1 3.48Å
108L76.9Confident73.1Confident50 Ų5033.7 Ų33.726%0.26218%0.181SC..Hα-helixtrans-63.8-43.4172.8-73.4173.4000111.8I104 L110 T111 T112 A167I104-L108 HydrophobicContact CG2-CD1 3.8Å; I104-L108 HydrophobicContact CG2-CG 4.41Å; I104-L108 WeakPolarHBondContact O-CB 3.32Å; I104-L108 WeakPolarHBondContact O-CG 3.49Å; I104-L108 PolarHBondContact O-N 3.3Å; L108-L110 VanDerWaalsContact C-N 3.31Å; L108-L110 PolarHBondContact O-N 3.04Å; L108-T111 PolarHBondContact O-N 2.96Å; L108-T111 PolarHBondContact O-OG1 3.47Å; L108-T112 VanDerWaalsContact O-CG2 3.32Å; L108-T112 WeakPolarHBondContact O-CG2 3.38Å; L108-T112 PolarHBondContact O-N 3.35Å; L108-A167 HydrophobicContact CB-CB 4.16Å; L108-A167 HydrophobicContact CD1-CB 3.64Å
109Y76.4Confident72.3Confident0 Ų035.2 Ų35.20%019%0.189CC..Hα-helixtrans-59.3-43.1175.4-173.5-94.6000111.5F17 Y21 S105 A106 T112 Q113 V168 A238 L241F17-Y109 AromaticContact CD1-CE1 3.83Å; F17-Y109 HydrophobicContact CD1-CE1 3.83Å; F17-Y109 AromaticContact CE1-CE1 3.9Å; F17-Y109 HydrophobicContact CE1-CE1 3.9Å; Y21-Y109 AromaticContact CD1-CD1 3.93Å; Y21-Y109 HydrophobicContact CD1-CD1 3.93Å; Y21-Y109 HydrophobicContact CD1-CG 4.21Å; Y21-Y109 HydrophobicContact CE1-CD1 4.34Å; Y21-Y109 HydrophobicContact CE1-CG 4.14Å; S105-Y109 VanDerWaalsContact O-CB 3.23Å; S105-Y109 WeakPolarHBondContact O-CB 3.47Å; S105-Y109 PolarHBondContact O-N 3.16Å; A106-Y109 PolarHBondContact O-N 3.36Å; Y109-T112 PolarHBondContact O-N 2.95Å; Y109-T112 PolarHBondContact O-OG1 3.08Å; Y109-Q113 HydrophobicContact CE1-CG 4.12Å; Y109-Q113 PolarHBondContact O-N 2.82Å; Y109-V168 HydrophobicContact CD2-CG2 4.17Å; Y109-A238 HydrophobicContact CD2-CB 4.28Å; Y109-A238 HydrophobicContact CE2-CB 4.11Å; Y109-L241 VanDerWaalsContact OH-CB 3.27Å; Y109-L241 WeakPolarHBondContact OH-CB 3.15Å; Y109-L241 VanDerWaalsContact OH-CD1 3.29Å; Y109-L241 WeakPolarHBondContact OH-CD1 3.23Å
110L76.2Confident71.3Confident26 Ų2638.2 Ų38.214%0.13621%0.207CC..Hα-helixtrans-63.4-44.9175.3179.2131.2000112.8T19 L22 A106 S107 L108 T112 Q113 L114T19-L110 HydrophobicContact CG2-CD1 3.69Å; L22-L110 HydrophobicContact CB-CD1 4.39Å; L22-L110 HydrophobicContact CD2-CD1 3.95Å; L22-L110 HydrophobicContact CD2-CD2 4.32Å; A106-L110 WeakPolarHBondContact O-CB 3.31Å; A106-L110 PolarHBondContact O-N 3.47Å; S107-L110 PolarHBondContact O-N 3.3Å; L108-L110 VanDerWaalsContact C-N 3.31Å; L108-L110 PolarHBondContact O-N 3.04Å; L110-T112 VanDerWaalsContact C-N 3.3Å; L110-T112 PolarHBondContact O-N 3.38Å; L110-Q113 PolarHBondContact O-N 2.77Å; L110-Q113 VanDerWaalsContact O-N 3.16Å; L110-L114 HydrophobicContact CD2-CD1 3.62Å; L110-L114 HydrophobicContact CD2-CG 4.42Å; L110-L114 HydrophobicContact CG-CD1 4.25Å; L110-L114 WeakPolarHBondContact O-CG 3.47Å; L110-L114 PolarHBondContact O-N 3.17Å
111T72.1Confident69.7Low59 Ų5939.3 Ų39.336%0.36221%0.211SC..Hα-helixtrans-63.2-34.1177.257.80000112.3S107 L108 Q113 L114 H115S107-T111 WeakPolarHBondContact O-CG2 3.44Å; S107-T111 PolarHBondContact O-N 2.99Å; S107-T111 PolarHBondContact O-OG1 3.48Å; L108-T111 PolarHBondContact O-N 2.96Å; L108-T111 PolarHBondContact O-OG1 3.47Å; T111-Q113 PolarHBondContact O-N 2.8Å; T111-L114 PolarHBondContact O-N 3.04Å; T111-H115 WeakPolarHBondContact O-CB 3.23Å; T111-H115 PolarHBondContact O-N 3.39Å
112T71.3Confident68Low1 Ų142.8 Ų42.81%0.00623%0.23CC..Hα-helixtrans-65-36.9173.768.90000113.7L108 Y109 L110 S116 F160L108-T112 VanDerWaalsContact O-CG2 3.32Å; L108-T112 WeakPolarHBondContact O-CG2 3.38Å; L108-T112 PolarHBondContact O-N 3.35Å; Y109-T112 PolarHBondContact O-N 2.95Å; Y109-T112 PolarHBondContact O-OG1 3.08Å; L110-T112 VanDerWaalsContact C-N 3.3Å; L110-T112 PolarHBondContact O-N 3.38Å; T112-S116 WeakPolarHBondContact O-CB 3.41Å; T112-S116 PolarHBondContact O-N 2.76Å; T112-F160 HydrophobicContact CG2-CB 3.85Å; T112-F160 HydrophobicContact CG2-CD1 4.37Å; T112-F160 HydrophobicContact CG2-CG 4.5Å; T112-F160 VanDerWaalsContact CG2-O 3.27Å; T112-F160 WeakPolarHBondContact CG2-O 3.36Å
113Q72.1Confident66.4Low22 Ų2248.2 Ų48.210%0.10326%0.259CS..Hα-helixtrans-71.7-40.6177.6-58.6-48.5-70.900110.4N14 I15 Y109 L110 T111 S116 L117N14-Q113 HydrophobicContact CB-CG 4.3Å; N14-Q113 PolarHBondContact ND2-OE1 3.43Å; I15-Q113 HydrophobicContact CG1-CB 3.99Å; Y109-Q113 HydrophobicContact CE1-CG 4.12Å; Y109-Q113 PolarHBondContact O-N 2.82Å; L110-Q113 PolarHBondContact O-N 2.77Å; L110-Q113 VanDerWaalsContact O-N 3.16Å; T111-Q113 PolarHBondContact O-N 2.8Å; Q113-S116 PolarHBondContact O-N 2.62Å; Q113-S116 PolarHBondContact O-OG 3.4Å; Q113-L117 PolarHBondContact O-N 2.78Å
114L68.5Low64.4Low73 Ų7350 Ų5038%0.38227%0.268SS..Hα-helixtrans-62.6-43.3173.4-69.5176.1000112.5L110 T111 S116 L117 L118L110-L114 HydrophobicContact CD2-CD1 3.62Å; L110-L114 HydrophobicContact CD2-CG 4.42Å; L110-L114 HydrophobicContact CG-CD1 4.25Å; L110-L114 WeakPolarHBondContact O-CG 3.47Å; L110-L114 PolarHBondContact O-N 3.17Å; T111-L114 PolarHBondContact O-N 3.04Å; L114-S116 VanDerWaalsContact C-N 3.33Å; L114-S116 PolarHBondContact O-N 2.62Å; L114-L117 WeakPolarHBondContact O-CB 3.39Å; L114-L117 PolarHBondContact O-N 3.09Å; L114-L118 WeakPolarHBondContact O-CG 3.41Å; L114-L118 PolarHBondContact O-N 2.81Å
115H64.8Low62.1Low36 Ų3652.3 Ų52.317%0.16728%0.281CS..Hα-helixtrans-60.3-44.7174.2-168-88.5000110.7T111 L117 L118 L119 Q157 F160T111-H115 WeakPolarHBondContact O-CB 3.23Å; T111-H115 PolarHBondContact O-N 3.39Å; H115-L117 VanDerWaalsContact C-N 3.29Å; H115-L117 PolarHBondContact O-N 3.39Å; H115-L118 PolarHBondContact O-N 3.43Å; H115-L119 WeakPolarHBondContact O-CG 3.48Å; H115-L119 PolarHBondContact O-N 2.85Å; H115-L119 VanDerWaalsContact O-N 3.09Å; H115-Q157 PolarHBondContact ND1-OE1 2.9Å; H115-F160 AromaticContact CD2-CD2 3.95Å; H115-F160 AromaticContact CD2-CE2 3.59Å; H115-F160 AromaticContact CG-CD2 3.95Å; H115-F160 AromaticContact NE2-CE2 3.77Å
116S65.2Low60.1Low23 Ų2358.8 Ų58.816%0.16132%0.316CS..Hα-helixtrans-61.5-35.2175.981.90000113.3T112 Q113 L114 T120T112-S116 WeakPolarHBondContact O-CB 3.41Å; T112-S116 PolarHBondContact O-N 2.76Å; Q113-S116 PolarHBondContact O-N 2.62Å; Q113-S116 PolarHBondContact O-OG 3.4Å; L114-S116 VanDerWaalsContact C-N 3.33Å; L114-S116 PolarHBondContact O-N 2.62Å; S116-T120 PolarHBondContact O-N 2.84Å; S116-T120 VanDerWaalsContact O-N 3.09Å; S116-T120 PolarHBondContact O-OG1 3.26Å
117L62.3Low58.3Low52 Ų5263.7 Ų63.727%0.27234%0.342SS..Hα-helixtrans-67.1-46.8175.8-178.472.9000111.6V11 I15 Q113 L114 H115 L119 T120 N121V11-L117 HydrophobicContact CG1-CB 4.13Å; V11-L117 HydrophobicContact CG1-CD1 3.78Å; I15-L117 HydrophobicContact CD1-CB 4.2Å; I15-L117 HydrophobicContact CD1-CD1 4.43Å; I15-L117 HydrophobicContact CD1-CD2 3.85Å; I15-L117 HydrophobicContact CD1-CG 4.38Å; Q113-L117 PolarHBondContact O-N 2.78Å; L114-L117 WeakPolarHBondContact O-CB 3.39Å; L114-L117 PolarHBondContact O-N 3.09Å; H115-L117 VanDerWaalsContact C-N 3.29Å; H115-L117 PolarHBondContact O-N 3.39Å; L117-L119 VanDerWaalsContact C-N 3.29Å; L117-L119 PolarHBondContact O-N 3.07Å; L117-T120 WeakPolarHBondContact CA-OG1 3.48Å; L117-T120 PolarHBondContact O-N 3.3Å; L117-T120 VanDerWaalsContact O-N 3.11Å; L117-T120 PolarHBondContact O-OG1 2.94Å; L117-N121 PolarHBondContact O-N 3.04Å
118L59.2Low56.3Low104 Ų10469.6 Ų69.655%0.54537%0.371SS..Hα-helixtrans-57.7-42.8177.8-72.2169.2000111.3L114 H115 N121 N122L114-L118 WeakPolarHBondContact O-CG 3.41Å; L114-L118 PolarHBondContact O-N 2.81Å; H115-L118 PolarHBondContact O-N 3.43Å; L118-N121 PolarHBondContact O-N 2.88Å; L118-N122 VanDerWaalsContact O-CG 3.32Å; L118-N122 PolarHBondContact O-N 2.72Å; L118-N122 VanDerWaalsContact O-N 3.11Å; L118-N122 PolarHBondContact O-ND2 3.34Å
119L57.6Low54.1Low32 Ų3271 Ų7117%0.16839%0.385CS..Hα-helixtrans-63.3-43.2174-63.2-176.1000112.3H115 L117 N121 N123 I153 Q157H115-L119 WeakPolarHBondContact O-CG 3.48Å; H115-L119 PolarHBondContact O-N 2.85Å; H115-L119 VanDerWaalsContact O-N 3.09Å; L117-L119 VanDerWaalsContact C-N 3.29Å; L117-L119 PolarHBondContact O-N 3.07Å; L119-N121 PolarHBondContact O-N 3.32Å; L119-N123 PolarHBondContact O-N 3.38Å; L119-N123 PolarHBondContact O-OD1 3.5Å; L119-I153 HydrophobicContact CD1-CG2 3.69Å; L119-I153 HydrophobicContact CD2-CG1 4.33Å; L119-I153 HydrophobicContact CD2-CG2 3.52Å; L119-I153 HydrophobicContact CG-CG2 4.2Å; L119-Q157 HydrophobicContact CD1-CB 4.09Å; L119-Q157 HydrophobicContact CD1-CG 4.31Å
120T53.6Low52.1Low63 Ų6379.7 Ų79.739%0.38743%0.431SS..Hα-helixtrans-66.9-33.9178.248.70000114.1S116 L117S116-T120 PolarHBondContact O-N 2.84Å; S116-T120 VanDerWaalsContact O-N 3.09Å; S116-T120 PolarHBondContact O-OG1 3.26Å; L117-T120 WeakPolarHBondContact CA-OG1 3.48Å; L117-T120 PolarHBondContact O-N 3.3Å; L117-T120 VanDerWaalsContact O-N 3.11Å; L117-T120 PolarHBondContact O-OG1 2.94Å
121N44.3Very low50.3Low79 Ų7981.6 Ų81.642%0.42246%0.458SS..Hα-helixtrans-73.2-41.4177.8-80.9-2.7000112.1L117 L118 L119 N123 H124 N125L117-N121 PolarHBondContact O-N 3.04Å; L118-N121 PolarHBondContact O-N 2.88Å; L119-N121 PolarHBondContact O-N 3.32Å; N121-N123 VanDerWaalsContact C-N 3.27Å; N121-N123 PolarHBondContact O-N 2.96Å; N121-H124 PolarHBondContact O-N 3.33Å; N121-N125 PolarHBondContact O-N 3.46Å
122N41Very low48.2Very low101 Ų10188 Ų8854%0.5448%0.481SS..Hα-helixtrans-62.4-34.9-179.5-75.7-15.3000112.5L118 H124L118-N122 VanDerWaalsContact O-CG 3.32Å; L118-N122 PolarHBondContact O-N 2.72Å; L118-N122 VanDerWaalsContact O-N 3.11Å; L118-N122 PolarHBondContact O-ND2 3.34Å; N122-H124 PolarHBondContact O-N 2.98Å
123N41.8Very low46.2Very low113 Ų11397.9 Ų97.960%0.60452%0.524SS*.Hα-helixtrans-69.3-27.2-177.8-75.117.8000114.2L119 N121L119-N123 PolarHBondContact O-N 3.38Å; L119-N123 PolarHBondContact O-OD1 3.5Å; N121-N123 VanDerWaalsContact C-N 3.27Å; N121-N123 PolarHBondContact O-N 2.96Å
124H37.4Very low44.1Very low111 Ų111105.1 Ų105.151%0.51456%0.562SS.*Hα-helixtrans-102-15.9-177.4-87.7-39.4000115.2N121 N122 N126 D127N121-H124 PolarHBondContact O-N 3.33Å; N122-H124 PolarHBondContact O-N 2.98Å; H124-N126 PolarHBondContact O-N 3.29Å; H124-D127 IonicContact CE1-OD2 3.74Å; H124-D127 IonicContact CG-OD2 3.59Å; H124-D127 IonicContact ND1-OD2 3.42Å; H124-D127 PolarHBondContact ND1-OD2 3.22Å; H124-D127 PolarHBondContact O-N 3.08Å
125N32Very low42.4Very low121 Ų121111.3 Ų111.365%0.64759%0.586SS**Hα-helixtrans-67.2-17.8173-86.2-7.2000113.2N121N121-N125 PolarHBondContact O-N 3.46Å
126N34.3Very low40.6Very low136 Ų136114.6 Ų114.673%0.72761%0.613SS**THydrogen-bonded Turntrans-74.8-25173.9-73.4-14.8000113.5H124H124-N126 PolarHBondContact O-N 3.29Å
127D39.4Very low38.9Very low102 Ų102124.3 Ų124.355%0.54565%0.646SS.*SBendtrans-82.8-16.6-166.4-64.6-31.1000114.5H124H124-D127 IonicContact CE1-OD2 3.74Å; H124-D127 IonicContact CG-OD2 3.59Å; H124-D127 IonicContact ND1-OD2 3.42Å; H124-D127 PolarHBondContact ND1-OD2 3.22Å; H124-D127 PolarHBondContact O-N 3.08Å
128N36.1Very low37.4Very low157 Ų157127.4 Ų127.484%0.8467%0.669SS**SBendtrans-133.716.5-163.8-92.8-46.2000115.9
129S31.3Very low35.8Very low80 Ų80133.6 Ų133.656%0.55969%0.685SS**  trans-131.984.3173.366.70000113.6G131S129-G131 PolarHBondContact O-N 3.34Å
130N33.9Very low34.5Very low182 Ų182137.5 Ų137.597%0.97371%0.705SS**SBendtrans-59.2102.1159.7-81.6-24.2000109.6
131G38.6Very low33.3Very low67 Ų67140.1 Ų140.169%0.69172%0.723SS**SBendtrans86.771.9163.900000117.5S129S129-G131 PolarHBondContact O-N 3.34Å
132K27.5Very low32.6Very low193 Ų193143.5 Ų143.584%0.83973%0.734SS**  trans-164.8125.7135.2-105.1149.8-170.61760112.2L134K132-L134 PolarHBondContact O-N 3.01Å
133K28.7Very low32Very low209 Ų209144.2 Ų144.291%0.90974%0.744SS**  trans-72.193.8178.2-68.2-179.3178.1179.60110.8K135K133-K135 PolarHBondContact O-N 3.02Å
134L29.3Very low31.5Very low174 Ų174145.1 Ų145.191%0.91175%0.745SS**  trans-72.194.7171.1-90.8165.3000110.9K132 S136K132-L134 PolarHBondContact O-N 3.01Å; L134-S136 PolarHBondContact O-N 2.97Å
135K31.3Very low31.3Very low203 Ų203146.4 Ų146.488%0.88375%0.746SS**  trans-70.787.1175.7-69.6-177175.8-175.50111.8K133K133-K135 PolarHBondContact O-N 3.02Å
136S28.1Very low31.3Very low104 Ų104150.7 Ų150.773%0.72776%0.755SS**  trans179.687.5148.554.50000112L134L134-S136 PolarHBondContact O-N 2.97Å
137R30.2Very low31.2Very low228 Ų228148.8 Ų148.886%0.8674%0.744SS**  trans-76123.8156.1-76.4-175176.5-177-1.1107.4R139R137-R139 PolarHBondContact O-N 3.29Å; R137-R139 VanDerWaalsContact O-N 3.1Å
138P29.5Very low30.9Very low116 Ų116153 Ų15375%0.75375%0.753SS**  trans-64.2112.5165.226.9-31.4000107.9I140P138-I140 PolarHBondContact O-N 3.21Å
139R25.3Very low31.6Very low234 Ų234149.2 Ų149.288%0.88374%0.736SS**  trans-67.5103.8175.9-75.6179.8170.4174.4-5.6108.4R137R137-R139 PolarHBondContact O-N 3.29Å; R137-R139 VanDerWaalsContact O-N 3.1Å
140I30.3Very low32.3Very low114 Ų114150.5 Ų150.559%0.58574%0.737SS**  trans-71.3124.2168.4-57.7176.8000107P138 F142P138-I140 PolarHBondContact O-N 3.21Å; I140-F142 HydrophobicContact CG2-CD2 3.86Å; I140-F142 HydrophobicContact CG2-CE2 4.15Å; I140-F142 PolarHBondContact O-N 2.76Å
141P28.9Very low32.8Very low119 Ų119146.6 Ų146.677%0.77371%0.713SS**  trans-80.682.3-17232.4-35.7000111.9
142F29.8Very low33Very low150 Ų150145.7 Ų145.766%0.65869%0.691SS**SBendtrans-131.2135.3161.8-72.9-68.4000109.6I140 H144I140-F142 HydrophobicContact CG2-CD2 3.86Å; I140-F142 HydrophobicContact CG2-CE2 4.15Å; I140-F142 PolarHBondContact O-N 2.76Å; F142-H144 PolarHBondContact O-N 2.79Å; F142-H144 PolarHBondContact O-ND1 2.6Å
143P29Very low34.2Very low115 Ų115140 Ų14075%0.74767%0.668SS**  trans-62.3120.5-170.423.7-33.5000111.9Y145P143-Y145 VanDerWaalsContact C-N 3.3Å; P143-Y145 PolarHBondContact O-N 3.06Å; P143-Y145 VanDerWaalsContact O-N 3.07Å
144H30.2Very low35.4Very low133 Ų133134.4 Ų134.462%0.61665%0.647SS**  trans-85.857.5-173.3-80.820.4000112.8F142F142-H144 PolarHBondContact O-N 2.79Å; F142-H144 PolarHBondContact O-ND1 2.6Å
145Y33.2Very low36.5Very low137 Ų137130.4 Ų130.454%0.53763%0.626SS.*  trans-121.7129173.1-79.2-73.9000112.7P143 V732P143-Y145 VanDerWaalsContact C-N 3.3Å; P143-Y145 PolarHBondContact O-N 3.06Å; P143-Y145 VanDerWaalsContact O-N 3.07Å; Y145-V732 WeakPolarHBondContact CE2-O 3.43Å; Y145-V732 PolarHBondContact OH-O 3.42Å; Y145-V732 PolarHBondContact OH-OXT 2.73Å
146Y32.4Very low37.6Very low212 Ų212123.5 Ų123.583%0.83160%0.601SS**SBendtrans57.866.1174.5-50.8-75.7000116.7
147L32.2Very low39.1Very low96 Ų96119.5 Ų119.550%0.50357%0.571SS.*SBendtrans-171.1150.7140.3-100.2155.2000109.1E151 Q152 I155L147-E151 HydrophobicContact CD2-CB 4.25Å; L147-E151 WeakPolarHBondContact CD2-OE2 3.19Å; L147-Q152 HydrophobicContact CB-CG 3.77Å; L147-I155 HydrophobicContact CD1-CD1 4.42Å
148Y34.2Very low40.4Very low190 Ų190114.3 Ų114.375%0.74556%0.556SS**  trans-61.5143179.1-86-100.5000110.7D150 E151 Q152Y148-D150 PolarHBondContact O-N 3.42Å; Y148-E151 PolarHBondContact O-N 3.13Å; Y148-Q152 PolarHBondContact O-N 3.47Å; Y148-Q152 VanDerWaalsContact O-N 3.08Å
149T50.1Low41.9Very low78 Ų78116.5 Ų116.548%0.47955%0.551SS.*Hα-helixtrans-51.5-39.4-172.947.10000113.1Q152 I153T149-Q152 PolarHBondContact O-N 2.97Å; T149-I153 WeakPolarHBondContact O-CB 3.43Å; T149-I153 VanDerWaalsContact O-CG1 3.31Å; T149-I153 WeakPolarHBondContact O-CG1 3.36Å; T149-I153 PolarHBondContact O-N 3.21Å
150D46.5Very low43.8Very low107 Ų107108.4 Ų108.457%0.57252%0.522SS*.Hα-helixtrans-76.3-32.6-173.8-59.312000110.8Y148 I154Y148-D150 PolarHBondContact O-N 3.42Å; D150-I154 WeakPolarHBondContact O-CB 3.44Å; D150-I154 WeakPolarHBondContact O-CD1 3.44Å; D150-I154 WeakPolarHBondContact O-CG1 3.39Å; D150-I154 PolarHBondContact O-N 3.43Å
151E43.7Very low45.2Very low100 Ų100104.7 Ų104.747%0.46750%0.502SS..Hα-helixtrans-71-42173.7-63-167.9123.500111.1L147 Y148 I153 I154 I155L147-E151 HydrophobicContact CD2-CB 4.25Å; L147-E151 WeakPolarHBondContact CD2-OE2 3.19Å; Y148-E151 PolarHBondContact O-N 3.13Å; E151-I153 VanDerWaalsContact C-N 3.35Å; E151-I153 PolarHBondContact O-N 2.9Å; E151-I154 PolarHBondContact O-N 2.97Å; E151-I155 WeakPolarHBondContact O-CB 3.49Å; E151-I155 WeakPolarHBondContact O-CD1 3.41Å; E151-I155 VanDerWaalsContact O-CG1 3.23Å; E151-I155 WeakPolarHBondContact O-CG1 3.32Å; E151-I155 PolarHBondContact O-N 3.03Å
152Q42.2Very low46.9Very low48 Ų48105 Ų10522%0.22449%0.491CS..Hα-helixtrans-59.5-45.9172.9-65.8-166-4.700111.2L147 Y148 T149 I154 I155 V156L147-Q152 HydrophobicContact CB-CG 3.77Å; Y148-Q152 PolarHBondContact O-N 3.47Å; Y148-Q152 VanDerWaalsContact O-N 3.08Å; T149-Q152 PolarHBondContact O-N 2.97Å; Q152-I154 VanDerWaalsContact C-N 3.33Å; Q152-I154 PolarHBondContact O-N 2.95Å; Q152-I155 PolarHBondContact O-N 3.05Å; Q152-V156 WeakPolarHBondContact O-CB 3.32Å; Q152-V156 VanDerWaalsContact O-CG2 3.3Å; Q152-V156 WeakPolarHBondContact O-CG2 3.31Å; Q152-V156 PolarHBondContact O-N 3.32Å
153I53.1Low48.6Very low72 Ų7299.3 Ų99.337%0.36947%0.47SS..Hα-helixtrans-56.4-45174.7-79.4167.5000111.8L119 T149 E151 Q157L119-I153 HydrophobicContact CD1-CG2 3.69Å; L119-I153 HydrophobicContact CD2-CG1 4.33Å; L119-I153 HydrophobicContact CD2-CG2 3.52Å; L119-I153 HydrophobicContact CG-CG2 4.2Å; T149-I153 WeakPolarHBondContact O-CB 3.43Å; T149-I153 VanDerWaalsContact O-CG1 3.31Å; T149-I153 WeakPolarHBondContact O-CG1 3.36Å; T149-I153 PolarHBondContact O-N 3.21Å; E151-I153 VanDerWaalsContact C-N 3.35Å; E151-I153 PolarHBondContact O-N 2.9Å; I153-Q157 WeakPolarHBondContact O-CB 3.49Å; I153-Q157 PolarHBondContact O-N 3.39Å
154I53.4Low50.5Low92 Ų9293.9 Ų93.947%0.47244%0.435SS..Hα-helixtrans-67.4-40.9178.8-72.5164.5000111.5D150 E151 Q152 Q157 Q158D150-I154 WeakPolarHBondContact O-CB 3.44Å; D150-I154 WeakPolarHBondContact O-CD1 3.44Å; D150-I154 WeakPolarHBondContact O-CG1 3.39Å; D150-I154 PolarHBondContact O-N 3.43Å; E151-I154 PolarHBondContact O-N 2.97Å; Q152-I154 VanDerWaalsContact C-N 3.33Å; Q152-I154 PolarHBondContact O-N 2.95Å; I154-Q157 PolarHBondContact O-N 2.85Å; I154-Q158 VanDerWaalsContact CG2-NE2 3.27Å; I154-Q158 WeakPolarHBondContact O-CG 3.33Å; I154-Q158 PolarHBondContact O-N 2.94Å
155I52.3Low52.3Low90 Ų9090.1 Ų90.146%0.46242%0.419SS..Hα-helixtrans-66.8-44.8178.4-69.5163.9000110.7L147 E151 Q152 Q157 Q158 Y159L147-I155 HydrophobicContact CD1-CD1 4.42Å; E151-I155 WeakPolarHBondContact O-CB 3.49Å; E151-I155 WeakPolarHBondContact O-CD1 3.41Å; E151-I155 VanDerWaalsContact O-CG1 3.23Å; E151-I155 WeakPolarHBondContact O-CG1 3.32Å; E151-I155 PolarHBondContact O-N 3.03Å; Q152-I155 PolarHBondContact O-N 3.05Å; I155-Q157 PolarHBondContact O-N 3.4Å; I155-Q158 PolarHBondContact O-N 2.92Å; I155-Y159 PolarHBondContact O-N 3Å
156V55.2Low53.9Low58 Ų5887.9 Ų87.935%0.35242%0.416SS..Hα-helixtrans-61.4-43.4175.91700000110.8Q152 Q158 Y159 F160Q152-V156 WeakPolarHBondContact O-CB 3.32Å; Q152-V156 VanDerWaalsContact O-CG2 3.3Å; Q152-V156 WeakPolarHBondContact O-CG2 3.31Å; Q152-V156 PolarHBondContact O-N 3.32Å; V156-Q158 PolarHBondContact O-N 2.85Å; V156-Y159 PolarHBondContact O-N 3.37Å; V156-F160 HydrophobicContact CG1-CD2 3.67Å; V156-F160 HydrophobicContact CG1-CE2 3.59Å; V156-F160 WeakPolarHBondContact O-CB 3.41Å; V156-F160 VanDerWaalsContact O-CD2 3.3Å; V156-F160 WeakPolarHBondContact O-CD2 3.49Å; V156-F160 PolarHBondContact O-N 3.28Å
157Q59.4Low55.7Low20 Ų2078.1 Ų78.19%0.09338%0.379CS..Hα-helixtrans-62.8-39.5174.5-177.164.336.700112.4H115 L119 I153 I154 I155 E161H115-Q157 PolarHBondContact ND1-OE1 2.9Å; L119-Q157 HydrophobicContact CD1-CB 4.09Å; L119-Q157 HydrophobicContact CD1-CG 4.31Å; I153-Q157 WeakPolarHBondContact O-CB 3.49Å; I153-Q157 PolarHBondContact O-N 3.39Å; I154-Q157 PolarHBondContact O-N 2.85Å; I155-Q157 PolarHBondContact O-N 3.4Å; Q157-E161 WeakPolarHBondContact CG-OE1 3.42Å; Q157-E161 PolarHBondContact NE2-OE1 3.35Å; Q157-E161 WeakPolarHBondContact O-CB 3.4Å; Q157-E161 VanDerWaalsContact O-CG 3.26Å; Q157-E161 WeakPolarHBondContact O-CG 3.41Å; Q157-E161 PolarHBondContact O-N 3.48Å
158Q57.7Low57.6Low120 Ų12073.6 Ų73.656%0.56136%0.355SS*.Hα-helixtrans-66.8-39.7175-75.1178.142.400112.4I154 I155 V156 E161 F162I154-Q158 VanDerWaalsContact CG2-NE2 3.27Å; I154-Q158 WeakPolarHBondContact O-CG 3.33Å; I154-Q158 PolarHBondContact O-N 2.94Å; I155-Q158 PolarHBondContact O-N 2.92Å; V156-Q158 PolarHBondContact O-N 2.85Å; Q158-E161 PolarHBondContact O-N 3.47Å; Q158-F162 WeakPolarHBondContact O-CB 3.29Å; Q158-F162 PolarHBondContact O-N 3.39Å
159Y61.3Low59.4Low162 Ų16267.6 Ų67.664%0.63534%0.336SS*.Hα-helixtrans-63.5-45.9175.4-179.7-92.6000111.4I155 V156 E161 F162 S163I155-Y159 PolarHBondContact O-N 3Å; V156-Y159 PolarHBondContact O-N 3.37Å; Y159-E161 PolarHBondContact O-N 3.39Å; Y159-F162 PolarHBondContact O-N 2.95Å; Y159-S163 VanDerWaalsContact O-CB 3.31Å; Y159-S163 WeakPolarHBondContact O-CB 3.41Å; Y159-S163 PolarHBondContact O-N 2.85Å
160F64Low60.4Low63 Ų6365.4 Ų65.428%0.27632%0.323SS..Hα-helixtrans-57.1-47.4173.3-90.6-56.9000111.9T112 H115 V156 F162 S163 S164T112-F160 HydrophobicContact CG2-CB 3.85Å; T112-F160 HydrophobicContact CG2-CD1 4.37Å; T112-F160 HydrophobicContact CG2-CG 4.5Å; T112-F160 VanDerWaalsContact CG2-O 3.27Å; T112-F160 WeakPolarHBondContact CG2-O 3.36Å; H115-F160 AromaticContact CD2-CD2 3.95Å; H115-F160 AromaticContact CD2-CE2 3.59Å; H115-F160 AromaticContact CG-CD2 3.95Å; H115-F160 AromaticContact NE2-CE2 3.77Å; V156-F160 HydrophobicContact CG1-CD2 3.67Å; V156-F160 HydrophobicContact CG1-CE2 3.59Å; V156-F160 WeakPolarHBondContact O-CB 3.41Å; V156-F160 VanDerWaalsContact O-CD2 3.3Å; V156-F160 WeakPolarHBondContact O-CD2 3.49Å; V156-F160 PolarHBondContact O-N 3.28Å; F160-F162 PolarHBondContact O-N 3.2Å; F160-S163 WeakPolarHBondContact O-CB 3.35Å; F160-S163 PolarHBondContact O-N 2.89Å; F160-S164 PolarHBondContact O-N 2.9Å
161E61.5Low61.6Low36 Ų3660.3 Ų60.317%0.16830%0.296CS..Hα-helixtrans-63.2-42.1178.9-74.8166.9-171.400112.8Q157 Q158 Y159 S164 L165 K244Q157-E161 WeakPolarHBondContact CG-OE1 3.42Å; Q157-E161 PolarHBondContact NE2-OE1 3.35Å; Q157-E161 WeakPolarHBondContact O-CB 3.4Å; Q157-E161 VanDerWaalsContact O-CG 3.26Å; Q157-E161 WeakPolarHBondContact O-CG 3.41Å; Q157-E161 PolarHBondContact O-N 3.48Å; Q158-E161 PolarHBondContact O-N 3.47Å; Y159-E161 PolarHBondContact O-N 3.39Å; E161-S164 PolarHBondContact O-N 2.93Å; E161-S164 PolarHBondContact O-OG 2.84Å; E161-L165 WeakPolarHBondContact O-CB 3.5Å; E161-L165 PolarHBondContact O-N 3.37Å; E161-K244 WeakPolarHBondContact OE1-CE 3.4Å; E161-K244 IonicContact OE1-NZ 2.73Å; E161-K244 PolarHBondContact OE1-NZ 2.96Å; E161-K244 WeakPolarHBondContact OE2-CE 3.16Å; E161-K244 IonicContact OE2-NZ 2.76Å; E161-K244 PolarHBondContact OE2-NZ 3.48Å
162F63.4Low63Low126 Ų12655.8 Ų55.855%0.55328%0.275SS*.Hα-helixtrans-64.3-42.4174.2-179.2-110000112.2Q158 Y159 F160 L165 L166Q158-F162 WeakPolarHBondContact O-CB 3.29Å; Q158-F162 PolarHBondContact O-N 3.39Å; Y159-F162 PolarHBondContact O-N 2.95Å; F160-F162 PolarHBondContact O-N 3.2Å; F162-L165 PolarHBondContact O-N 2.91Å; F162-L166 HydrophobicContact CD1-CD1 4.07Å; F162-L166 HydrophobicContact CE1-CD1 3.5Å; F162-L166 VanDerWaalsContact CE1-CD1 3.5Å; F162-L166 HydrophobicContact CE1-CG 4.26Å; F162-L166 HydrophobicContact CE2-CD1 4.47Å; F162-L166 HydrophobicContact CE2-CG 4.42Å; F162-L166 HydrophobicContact CZ-CD1 3.74Å; F162-L166 HydrophobicContact CZ-CD2 4.42Å; F162-L166 HydrophobicContact CZ-CG 4.13Å; F162-L166 PolarHBondContact O-N 3.43Å
163S65.1Low64.4Low30 Ų3059.1 Ų59.121%0.2129%0.289CS..Hα-helixtrans-59.6-45.6174-176.30000111.5Y159 F160 L165 L166 A167Y159-S163 VanDerWaalsContact O-CB 3.31Å; Y159-S163 WeakPolarHBondContact O-CB 3.41Å; Y159-S163 PolarHBondContact O-N 2.85Å; F160-S163 WeakPolarHBondContact O-CB 3.35Å; F160-S163 PolarHBondContact O-N 2.89Å; S163-L165 VanDerWaalsContact C-N 3.34Å; S163-L165 PolarHBondContact O-N 3.17Å; S163-L166 PolarHBondContact O-N 2.74Å; S163-A167 VanDerWaalsContact O-CB 3.29Å; S163-A167 WeakPolarHBondContact O-CB 3.38Å; S163-A167 PolarHBondContact O-N 3.34Å
164S69.4Low65.1Low2 Ų255.7 Ų55.71%0.01427%0.272CS..Hα-helixtrans-66.5-32.9176.873.80000113.5F160 E161 A167 V168F160-S164 PolarHBondContact O-N 2.9Å; E161-S164 PolarHBondContact O-N 2.93Å; E161-S164 PolarHBondContact O-OG 2.84Å; S164-A167 PolarHBondContact O-N 2.82Å; S164-V168 WeakPolarHBondContact O-CB 3.14Å; S164-V168 VanDerWaalsContact O-CG2 3.27Å; S164-V168 WeakPolarHBondContact O-CG2 3.32Å; S164-V168 PolarHBondContact O-N 3.28Å
165L67.8Low66Low54 Ų5451.3 Ų51.328%0.28325%0.249SC..Hα-helixtrans-67-45.3174.7-177.4149.9000110.9E161 F162 S163 A167 I169E161-L165 WeakPolarHBondContact O-CB 3.5Å; E161-L165 PolarHBondContact O-N 3.37Å; F162-L165 PolarHBondContact O-N 2.91Å; S163-L165 VanDerWaalsContact C-N 3.34Å; S163-L165 PolarHBondContact O-N 3.17Å; L165-A167 VanDerWaalsContact C-N 3.35Å; L165-I169 HydrophobicContact CD2-CD1 3.74Å; L165-I169 VanDerWaalsContact O-CG1 3.32Å; L165-I169 WeakPolarHBondContact O-CG1 3.19Å; L165-I169 PolarHBondContact O-N 2.98Å; L165-I169 VanDerWaalsContact O-N 3.1Å
166L67.1Low66.8Low90 Ų9049.1 Ų49.147%0.47124%0.236SC..Hα-helixtrans-62.5-42172.9-72.4177.4000111.9F162 S163 I169 S170F162-L166 HydrophobicContact CD1-CD1 4.07Å; F162-L166 HydrophobicContact CE1-CD1 3.5Å; F162-L166 VanDerWaalsContact CE1-CD1 3.5Å; F162-L166 HydrophobicContact CE1-CG 4.26Å; F162-L166 HydrophobicContact CE2-CD1 4.47Å; F162-L166 HydrophobicContact CE2-CG 4.42Å; F162-L166 HydrophobicContact CZ-CD1 3.74Å; F162-L166 HydrophobicContact CZ-CD2 4.42Å; F162-L166 HydrophobicContact CZ-CG 4.13Å; F162-L166 PolarHBondContact O-N 3.43Å; S163-L166 PolarHBondContact O-N 2.74Å; L166-I169 WeakPolarHBondContact O-CB 3.18Å; L166-I169 PolarHBondContact O-N 3.47Å; L166-S170 PolarHBondContact O-N 2.98Å
167A70.6Confident67.4Low7 Ų749.5 Ų49.56%0.05824%0.235CC..Hα-helixtrans-65.5-4618000000111.2S105 L108 S163 S164 L165 I169 S170 G171S105-A167 VanDerWaalsContact CB-C 3.44Å; S105-A167 WeakPolarHBondContact CB-O 3.26Å; L108-A167 HydrophobicContact CB-CB 4.16Å; L108-A167 HydrophobicContact CD1-CB 3.64Å; S163-A167 VanDerWaalsContact O-CB 3.29Å; S163-A167 WeakPolarHBondContact O-CB 3.38Å; S163-A167 PolarHBondContact O-N 3.34Å; S164-A167 PolarHBondContact O-N 2.82Å; L165-A167 VanDerWaalsContact C-N 3.35Å; A167-I169 VanDerWaalsContact C-N 3.28Å; A167-I169 PolarHBondContact O-N 2.81Å; A167-S170 CarbonylContact O-C 3.56Å; A167-S170 WeakPolarHBondContact O-CA 3.33Å; A167-S170 PolarHBondContact O-N 3.44Å; A167-S170 PolarHBondContact O-OG 3.17Å; A167-G171 PolarHBondContact O-N 3.17Å
168V71.8Confident67.9Low0 Ų048.7 Ų48.70%023%0.231CC..Hα-helixtrans-59-38.6173.9168.90000111.6Y21 Y109 S164 G171 I172 N235 A238 L239Y21-V168 HydrophobicContact CE1-CG2 4.4Å; Y109-V168 HydrophobicContact CD2-CG2 4.17Å; S164-V168 WeakPolarHBondContact O-CB 3.14Å; S164-V168 VanDerWaalsContact O-CG2 3.27Å; S164-V168 WeakPolarHBondContact O-CG2 3.32Å; S164-V168 PolarHBondContact O-N 3.28Å; V168-G171 PolarHBondContact O-N 3.25Å; V168-I172 WeakPolarHBondContact O-CG1 3.42Å; V168-I172 PolarHBondContact O-N 2.88Å; V168-N235 WeakPolarHBondContact CG1-O 3.36Å; V168-A238 HydrophobicContact CG1-CB 4.19Å; V168-A238 HydrophobicContact CG2-CB 3.97Å; V168-L239 HydrophobicContact CG1-CB 3.89Å; V168-L239 HydrophobicContact CG1-CD1 4.08Å
169I71.1Confident68.4Low64 Ų6444.8 Ų44.833%0.32821%0.214SC..Hα-helixtrans-61.2-43.3172.2-69.4168.4000111.1L165 L166 A167 G171 I172 F173 L239L165-I169 HydrophobicContact CD2-CD1 3.74Å; L165-I169 VanDerWaalsContact O-CG1 3.32Å; L165-I169 WeakPolarHBondContact O-CG1 3.19Å; L165-I169 PolarHBondContact O-N 2.98Å; L165-I169 VanDerWaalsContact O-N 3.1Å; L166-I169 WeakPolarHBondContact O-CB 3.18Å; L166-I169 PolarHBondContact O-N 3.47Å; A167-I169 VanDerWaalsContact C-N 3.28Å; A167-I169 PolarHBondContact O-N 2.81Å; I169-G171 PolarHBondContact O-N 3.38Å; I169-I172 WeakPolarHBondContact O-CB 3.36Å; I169-I172 PolarHBondContact O-N 3.39Å; I169-F173 HydrophobicContact CG2-CD2 4.1Å; I169-F173 HydrophobicContact CG2-CE2 3.81Å; I169-F173 VanDerWaalsContact O-CD2 3.26Å; I169-F173 WeakPolarHBondContact O-CD2 3.34Å; I169-F173 PolarHBondContact O-N 2.85Å; I169-L239 HydrophobicContact CD1-CD1 4.43Å; I169-L239 HydrophobicContact CG1-CD1 3.85Å
170S72.6Confident68.3Low32 Ų3239.8 Ų39.822%0.22420%0.2CC..Hα-helixtrans-66.2-33.1175.273.40000113.6L166 A167 F173 G174L166-S170 PolarHBondContact O-N 2.98Å; A167-S170 CarbonylContact O-C 3.56Å; A167-S170 WeakPolarHBondContact O-CA 3.33Å; A167-S170 PolarHBondContact O-N 3.44Å; A167-S170 PolarHBondContact O-OG 3.17Å; S170-F173 PolarHBondContact O-N 3.43Å; S170-G174 PolarHBondContact O-N 3.3Å
171G70.9Confident68.3Low0 Ų037 Ų370%019%0.188CC..Hα-helixtrans-63.3-40.617200000112.4N102 A167 V168 I169 F173 G174 C175 N235N102-G171 PolarHBondContact ND2-O 2.98Å; N102-G171 PolarHBondContact OD1-O 3.2Å; A167-G171 PolarHBondContact O-N 3.17Å; V168-G171 PolarHBondContact O-N 3.25Å; I169-G171 PolarHBondContact O-N 3.38Å; G171-F173 PolarHBondContact O-N 2.84Å; G171-G174 CarbonylContact O-C 3.52Å; G171-G174 WeakPolarHBondContact O-CA 3.47Å; G171-G174 PolarHBondContact O-N 3.28Å; G171-G174 VanDerWaalsContact O-N 3.11Å; G171-C175 PolarHBondContact O-N 3.47Å; G171-N235 VanDerWaalsContact C-ND2 3.26Å; G171-N235 PolarHBondContact O-ND2 2.85Å
172I72.4Confident68.4Low6 Ų635.5 Ų35.53%0.03118%0.181CC..Hα-helixtrans-58-47.3172-65.4169.5000110.4V168 I169 G174 C175 F176 L232 N235 L239 F390V168-I172 WeakPolarHBondContact O-CG1 3.42Å; V168-I172 PolarHBondContact O-N 2.88Å; I169-I172 WeakPolarHBondContact O-CB 3.36Å; I169-I172 PolarHBondContact O-N 3.39Å; I172-G174 VanDerWaalsContact C-N 3.33Å; I172-G174 PolarHBondContact O-N 3.16Å; I172-C175 WeakPolarHBondContact O-CB 3.29Å; I172-C175 PolarHBondContact O-N 3.4Å; I172-F176 HydrophobicContact CG2-CD2 4.02Å; I172-F176 HydrophobicContact CG2-CE2 3.65Å; I172-F176 WeakPolarHBondContact O-CD2 3.36Å; I172-F176 PolarHBondContact O-N 3.18Å; I172-L232 HydrophobicContact CG2-CD1 4.21Å; I172-N235 HydrophobicContact CG1-CB 3.67Å; I172-L239 HydrophobicContact CD1-CD2 4.35Å; I172-F390 HydrophobicContact CG2-CE1 4.07Å; I172-F390 HydrophobicContact CG2-CZ 3.78Å
173F71.4Confident68.3Low117 Ų11733.8 Ų33.851%0.51318%0.177SC..Hα-helixtrans-62.4-38.5174.2-75.4-69.1000112.6I169 S170 G171 C175 F176 M177I169-F173 HydrophobicContact CG2-CD2 4.1Å; I169-F173 HydrophobicContact CG2-CE2 3.81Å; I169-F173 VanDerWaalsContact O-CD2 3.26Å; I169-F173 WeakPolarHBondContact O-CD2 3.34Å; I169-F173 PolarHBondContact O-N 2.85Å; S170-F173 PolarHBondContact O-N 3.43Å; G171-F173 PolarHBondContact O-N 2.84Å; F173-C175 PolarHBondContact O-N 2.98Å; F173-F176 PolarHBondContact O-N 3.43Å; F173-F176 VanDerWaalsContact O-N 3.13Å; F173-M177 PolarHBondContact O-N 3.19Å
174G68.6Low67.9Low0 Ų037.1 Ų37.10%019%0.192CC..Hα-helixtrans-58.4-43.6173.200000112.7S170 G171 I172 F176 M177 I178S170-G174 PolarHBondContact O-N 3.3Å; G171-G174 CarbonylContact O-C 3.52Å; G171-G174 WeakPolarHBondContact O-CA 3.47Å; G171-G174 PolarHBondContact O-N 3.28Å; G171-G174 VanDerWaalsContact O-N 3.11Å; I172-G174 VanDerWaalsContact C-N 3.33Å; I172-G174 PolarHBondContact O-N 3.16Å; G174-F176 VanDerWaalsContact C-N 3.32Å; G174-F176 PolarHBondContact O-N 2.79Å; G174-M177 WeakPolarHBondContact O-CB 3.36Å; G174-M177 PolarHBondContact O-N 2.97Å; G174-I178 WeakPolarHBondContact O-CG1 3.41Å; G174-I178 PolarHBondContact O-N 3.23Å
175C71.6Confident67.3Low1 Ų138.7 Ų38.71%0.00720%0.198CC..Hα-helixtrans-59.9-40173.3-72.40000112.3N102 G171 I172 F173 I178 M179 I228 L232 N235N102-C175 PolarHBondContact ND2-N 3.49Å; N102-C175 PolarHBondContact OD1-SG 2.99Å; G171-C175 PolarHBondContact O-N 3.47Å; I172-C175 WeakPolarHBondContact O-CB 3.29Å; I172-C175 PolarHBondContact O-N 3.4Å; F173-C175 PolarHBondContact O-N 2.98Å; C175-I178 PolarHBondContact O-N 3Å; C175-M179 WeakPolarHBondContact O-CB 3.42Å; C175-M179 WeakPolarHBondContact O-CG 3.36Å; C175-M179 PolarHBondContact O-N 2.8Å; C175-I228 HydrophobicContact CB-CG2 4.2Å; C175-L232 HydrophobicContact CB-CB 4.39Å; C175-L232 HydrophobicContact CB-CD1 3.89Å; C175-N235 PolarHBondContact SG-ND2 2.88Å
176F70.9Confident66.8Low43 Ų4337.1 Ų37.119%0.18919%0.191CC..Hα-helixtrans-68.4-33.9175.8-74.6-67.3000113I172 F173 G174 M179 T180 L232 F390I172-F176 HydrophobicContact CG2-CD2 4.02Å; I172-F176 HydrophobicContact CG2-CE2 3.65Å; I172-F176 WeakPolarHBondContact O-CD2 3.36Å; I172-F176 PolarHBondContact O-N 3.18Å; F173-F176 PolarHBondContact O-N 3.43Å; F173-F176 VanDerWaalsContact O-N 3.13Å; G174-F176 VanDerWaalsContact C-N 3.32Å; G174-F176 PolarHBondContact O-N 2.79Å; F176-M179 HydrophobicContact CD1-CE 3.94Å; F176-M179 HydrophobicContact CE1-CE 3.94Å; F176-T180 WeakPolarHBondContact O-CB 3.04Å; F176-T180 WeakPolarHBondContact O-CG2 3.27Å; F176-T180 PolarHBondContact O-N 3.11Å; F176-T180 PolarHBondContact O-OG1 3.3Å; F176-L232 HydrophobicContact CE2-CD1 4.17Å; F176-L232 HydrophobicContact CZ-CD1 4.33Å; F176-F390 AromaticContact CE2-CD1 3.89Å; F176-F390 HydrophobicContact CE2-CD1 3.89Å; F176-F390 AromaticContact CE2-CE1 3.55Å; F176-F390 HydrophobicContact CE2-CE1 3.55Å; F176-F390 HydrophobicContact CE2-CZ 4.47Å; F176-F390 AromaticContact CZ-CD1 3.87Å; F176-F390 HydrophobicContact CZ-CD1 3.87Å; F176-F390 HydrophobicContact CZ-CE1 4.04Å
177M67.5Low65.9Low66 Ų6637.7 Ų37.733%0.32519%0.187SC..Hα-helixtrans-63.3-45.9172.4-70.8178.2173.400111.3F97 F173 G174 T180 T181F97-M177 HydrophobicContact CD1-CE 4.43Å; F97-M177 HydrophobicContact CD1-SD 3.94Å; F173-M177 PolarHBondContact O-N 3.19Å; G174-M177 WeakPolarHBondContact O-CB 3.36Å; G174-M177 PolarHBondContact O-N 2.97Å; M177-T180 PolarHBondContact O-OG1 2.82Å; M177-T180 VanDerWaalsContact O-OG1 3.13Å; M177-T181 WeakPolarHBondContact O-CB 3.4Å; M177-T181 WeakPolarHBondContact O-CG2 3.2Å; M177-T181 PolarHBondContact O-N 3.45Å; M177-T181 VanDerWaalsContact O-N 3.14Å; M177-T181 PolarHBondContact O-OG1 3.42Å
178I69.3Low64.9Low3 Ų340.9 Ų40.92%0.01520%0.2CC..Hα-helixtrans-70.7-37.4178.7-47.4158.9000111.3N28 G174 C175 T181 T182 I228N28-I178 WeakPolarHBondContact ND2-CD1 3.29Å; G174-I178 WeakPolarHBondContact O-CG1 3.41Å; G174-I178 PolarHBondContact O-N 3.23Å; C175-I178 PolarHBondContact O-N 3Å; I178-T181 VanDerWaalsContact CA-OG1 3.29Å; I178-T181 WeakPolarHBondContact CA-OG1 3.35Å; I178-T181 PolarHBondContact O-OG1 3.18Å; I178-T182 HydrophobicContact CG2-CG2 4.08Å; I178-T182 WeakPolarHBondContact O-CB 3.49Å; I178-T182 VanDerWaalsContact O-CG2 3.3Å; I178-T182 WeakPolarHBondContact O-CG2 3.27Å; I178-T182 PolarHBondContact O-N 2.93Å; I178-T182 PolarHBondContact O-OG1 3.03Å; I178-I228 HydrophobicContact CB-CD1 4.07Å; I178-I228 HydrophobicContact CB-CG1 4.34Å; I178-I228 HydrophobicContact CB-CG2 4.47Å; I178-I228 HydrophobicContact CG2-CD1 3.38Å; I178-I228 HydrophobicContact CG2-CG1 3.92Å
179M67.4Low63.8Low39 Ų3943.9 Ų43.919%0.19222%0.215CC..Hα-helixtrans-65.1-42.1175.1-74.4-150.6-62.300112.6C175 F176 T182 I183 I228 L232C175-M179 WeakPolarHBondContact O-CB 3.42Å; C175-M179 WeakPolarHBondContact O-CG 3.36Å; C175-M179 PolarHBondContact O-N 2.8Å; F176-M179 HydrophobicContact CD1-CE 3.94Å; F176-M179 HydrophobicContact CE1-CE 3.94Å; M179-T182 PolarHBondContact O-OG1 3.12Å; M179-I183 VanDerWaalsContact O-CB 3.31Å; M179-I183 WeakPolarHBondContact O-CB 3.38Å; M179-I183 WeakPolarHBondContact O-CD1 3.07Å; M179-I183 WeakPolarHBondContact O-CG1 3.41Å; M179-I183 PolarHBondContact O-N 2.87Å; M179-I228 HydrophobicContact CG-CB 4.36Å; M179-I228 HydrophobicContact CG-CG2 3.48Å; M179-I228 VanDerWaalsContact CG-CG2 3.48Å; M179-I228 HydrophobicContact SD-CG2 4.47Å; M179-L232 HydrophobicContact CE-CD2 4.23Å
180T59.2Low62.3Low56 Ų5647.1 Ų47.134%0.34423%0.227SC..Hα-helixtrans-69.4-38.9-179.248.40000112.4F176 M177 L184 I397F176-T180 WeakPolarHBondContact O-CB 3.04Å; F176-T180 WeakPolarHBondContact O-CG2 3.27Å; F176-T180 PolarHBondContact O-N 3.11Å; F176-T180 PolarHBondContact O-OG1 3.3Å; M177-T180 PolarHBondContact O-OG1 2.82Å; M177-T180 VanDerWaalsContact O-OG1 3.13Å; T180-L184 VanDerWaalsContact O-CG 3.27Å; T180-L184 WeakPolarHBondContact O-CG 3.33Å; T180-L184 PolarHBondContact O-N 3.44Å; T180-I397 HydrophobicContact CG2-CD1 4.41Å
181T65.3Low60.8Low5 Ų548.6 Ų48.63%0.03123%0.232CC..Hα-helixtrans-68.2-47.5175.145.20000112.8T91 T94 E95 M177 I178 I183 L184 R185T91-T181 HydrophobicContact CG2-CG2 4.28Å; T94-T181 WeakPolarHBondContact OG1-CG2 3.32Å; E95-T181 HydrophobicContact CG-CG2 4.15Å; E95-T181 WeakPolarHBondContact CG-OG1 3.38Å; M177-T181 WeakPolarHBondContact O-CB 3.4Å; M177-T181 WeakPolarHBondContact O-CG2 3.2Å; M177-T181 PolarHBondContact O-N 3.45Å; M177-T181 VanDerWaalsContact O-N 3.14Å; M177-T181 PolarHBondContact O-OG1 3.42Å; I178-T181 VanDerWaalsContact CA-OG1 3.29Å; I178-T181 WeakPolarHBondContact CA-OG1 3.35Å; I178-T181 PolarHBondContact O-OG1 3.18Å; T181-I183 VanDerWaalsContact C-N 3.31Å; T181-I183 PolarHBondContact O-N 3.38Å; T181-L184 CarbonylContact O-C 3.59Å; T181-L184 WeakPolarHBondContact O-CB 3.47Å; T181-L184 PolarHBondContact O-N 3.21Å; T181-R185 WeakPolarHBondContact O-CB 3.45Å; T181-R185 PolarHBondContact O-N 3.4Å
182T63.9Low59.4Low4 Ų452.6 Ų52.63%0.02525%0.253CS..Hα-helixtrans-62.8-34.8175.852.90000112.7I178 M179 R185 T186 I228I178-T182 HydrophobicContact CG2-CG2 4.08Å; I178-T182 WeakPolarHBondContact O-CB 3.49Å; I178-T182 VanDerWaalsContact O-CG2 3.3Å; I178-T182 WeakPolarHBondContact O-CG2 3.27Å; I178-T182 PolarHBondContact O-N 2.93Å; I178-T182 PolarHBondContact O-OG1 3.03Å; M179-T182 PolarHBondContact O-OG1 3.12Å; T182-R185 PolarHBondContact O-N 3.37Å; T182-T186 WeakPolarHBondContact O-CB 3.46Å; T182-T186 WeakPolarHBondContact O-CG2 3.21Å; T182-T186 PolarHBondContact O-N 2.77Å; T182-T186 PolarHBondContact O-OG1 2.96Å; T182-I228 HydrophobicContact CG2-CD1 4.17Å
183I61Low57.8Low90 Ų9056.2 Ų56.246%0.46227%0.27SS..Hα-helixtrans-64.9-43.9170.2-71.5167.1000111.3M179 T181 R185 T186 Y187M179-I183 VanDerWaalsContact O-CB 3.31Å; M179-I183 WeakPolarHBondContact O-CB 3.38Å; M179-I183 WeakPolarHBondContact O-CD1 3.07Å; M179-I183 WeakPolarHBondContact O-CG1 3.41Å; M179-I183 PolarHBondContact O-N 2.87Å; T181-I183 VanDerWaalsContact C-N 3.31Å; T181-I183 PolarHBondContact O-N 3.38Å; I183-R185 PolarHBondContact O-N 2.84Å; I183-T186 WeakPolarHBondContact CA-OG1 3.32Å; I183-T186 PolarHBondContact O-OG1 2.89Å; I183-Y187 WeakPolarHBondContact O-CB 3.12Å; I183-Y187 PolarHBondContact O-N 3.43Å
184L56.4Low56.4Low101 Ų10153.2 Ų53.253%0.52926%0.263SS..Hα-helixtrans-63.6-39.9175.7-74.7167.2000112.4T180 T181 Y187 K188T180-L184 VanDerWaalsContact O-CG 3.27Å; T180-L184 WeakPolarHBondContact O-CG 3.33Å; T180-L184 PolarHBondContact O-N 3.44Å; T181-L184 CarbonylContact O-C 3.59Å; T181-L184 WeakPolarHBondContact O-CB 3.47Å; T181-L184 PolarHBondContact O-N 3.21Å; L184-Y187 PolarHBondContact O-N 3.21Å; L184-K188 WeakPolarHBondContact O-CB 3.27Å; L184-K188 PolarHBondContact O-N 3.17Å
185R57.7Low54.8Low35 Ų3560 Ų6013%0.13229%0.293CS..Hα-helixtrans-66.5-48.1178.3-170.5-177.270.5-170.76.8111.8V35 E95 T181 T182 I183 Y187 K188 I189V35-R185 VanDerWaalsContact CG1-NH1 3.28Å; E95-R185 IonicContact OE1-NH1 3.75Å; E95-R185 IonicContact OE2-NH1 2.71Å; E95-R185 PolarHBondContact OE2-NH1 2.98Å; T181-R185 WeakPolarHBondContact O-CB 3.45Å; T181-R185 PolarHBondContact O-N 3.4Å; T182-R185 PolarHBondContact O-N 3.37Å; I183-R185 PolarHBondContact O-N 2.84Å; R185-Y187 VanDerWaalsContact C-N 3.34Å; R185-Y187 PolarHBondContact O-N 3.48Å; R185-K188 PolarHBondContact O-N 2.75Å; R185-I189 HydrophobicContact CG-CD1 4.47Å; R185-I189 WeakPolarHBondContact O-CG1 3.22Å; R185-I189 PolarHBondContact O-N 3.23Å
186T55.4Low53Low21 Ų2164.1 Ų64.113%0.12932%0.315CS..Hα-helixtrans-61.2-42.817450.70000111.1T182 I183 K188 I189 F190 Q221T182-T186 WeakPolarHBondContact O-CB 3.46Å; T182-T186 WeakPolarHBondContact O-CG2 3.21Å; T182-T186 PolarHBondContact O-N 2.77Å; T182-T186 PolarHBondContact O-OG1 2.96Å; I183-T186 WeakPolarHBondContact CA-OG1 3.32Å; I183-T186 PolarHBondContact O-OG1 2.89Å; T186-K188 PolarHBondContact O-N 2.88Å; T186-I189 PolarHBondContact O-N 3Å; T186-F190 WeakPolarHBondContact O-CD2 3.34Å; T186-F190 PolarHBondContact O-N 3.12Å; T186-Q221 HydrophobicContact CG2-CB 4.29Å; T186-Q221 HydrophobicContact CG2-CG 4.3Å
187Y49.7Very low51.3Low101 Ų10169.2 Ų69.240%0.39633%0.334SS..Hα-helixtrans-61.7-40.7174.9-173.3-108000113.1I183 L184 R185 F190 I191I183-Y187 WeakPolarHBondContact O-CB 3.12Å; I183-Y187 PolarHBondContact O-N 3.43Å; L184-Y187 PolarHBondContact O-N 3.21Å; R185-Y187 VanDerWaalsContact C-N 3.34Å; R185-Y187 PolarHBondContact O-N 3.48Å; Y187-F190 PolarHBondContact O-N 3.45Å; Y187-I191 HydrophobicContact CD1-CD1 3.91Å; Y187-I191 HydrophobicContact CE1-CD1 3.32Å; Y187-I191 HydrophobicContact CE1-CG1 4.25Å; Y187-I191 HydrophobicContact CE2-CD1 4.3Å; Y187-I191 PolarHBondContact O-N 2.93Å
188K48.8Very low49.8Very low75 Ų7571.8 Ų71.833%0.32635%0.347SS..Hα-helixtrans-61.7-43.2173.8-171.2173.9-174.2173.20111.3N84 L184 R185 T186 I191 N192N84-K188 PolarHBondContact OD1-NZ 2.83Å; L184-K188 WeakPolarHBondContact O-CB 3.27Å; L184-K188 PolarHBondContact O-N 3.17Å; R185-K188 PolarHBondContact O-N 2.75Å; T186-K188 PolarHBondContact O-N 2.88Å; K188-I191 PolarHBondContact O-N 3.33Å; K188-N192 WeakPolarHBondContact O-CB 3.11Å; K188-N192 PolarHBondContact O-N 3.43Å
189I49.4Very low48Very low63 Ų6376.1 Ų76.132%0.32337%0.37SS..Hα-helixtrans-62.4-47.2175.4-67.4165.9000110.6R185 T186 I191 N192 H193 Q221R185-I189 HydrophobicContact CG-CD1 4.47Å; R185-I189 WeakPolarHBondContact O-CG1 3.22Å; R185-I189 PolarHBondContact O-N 3.23Å; T186-I189 PolarHBondContact O-N 3Å; I189-I191 PolarHBondContact O-N 3.27Å; I189-N192 PolarHBondContact O-N 2.99Å; I189-H193 WeakPolarHBondContact O-CB 3.42Å; I189-H193 PolarHBondContact O-N 3.04Å; I189-Q221 VanDerWaalsContact CD1-NE2 3.3Å
190F38.5Very low46.3Very low131 Ų13177.5 Ų77.558%0.57538%0.381SS*.Hα-helixtrans-63.1-36.8176.1-79.2-65000113.2T186 Y187 S194T186-F190 WeakPolarHBondContact O-CD2 3.34Å; T186-F190 PolarHBondContact O-N 3.12Å; Y187-F190 PolarHBondContact O-N 3.45Å; F190-S194 WeakPolarHBondContact O-CB 3.2Å; F190-S194 PolarHBondContact O-N 2.77Å
191I42.6Very low45Very low63 Ų6378.4 Ų78.432%0.32339%0.386SS..Hα-helixtrans-68.3-50.2175.4-79.4-175.5000111.4Y187 K188 I189 H193 S194 K195Y187-I191 HydrophobicContact CD1-CD1 3.91Å; Y187-I191 HydrophobicContact CE1-CD1 3.32Å; Y187-I191 HydrophobicContact CE1-CG1 4.25Å; Y187-I191 HydrophobicContact CE2-CD1 4.3Å; Y187-I191 PolarHBondContact O-N 2.93Å; K188-I191 PolarHBondContact O-N 3.33Å; I189-I191 PolarHBondContact O-N 3.27Å; I191-H193 VanDerWaalsContact C-N 3.27Å; I191-H193 PolarHBondContact O-N 2.99Å; I191-S194 WeakPolarHBondContact O-CA 3.05Å; I191-S194 PolarHBondContact O-N 2.6Å; I191-S194 PolarHBondContact O-OG 3.46Å; I191-K195 PolarHBondContact O-N 2.86Å
192N39.6Very low43.5Very low85 Ų8586.4 Ų86.446%0.45542%0.421SS..Hα-helixtrans-61.9-39.3-179.8-81.615.7000110.6K188 I189 K195 N196K188-N192 WeakPolarHBondContact O-CB 3.11Å; K188-N192 PolarHBondContact O-N 3.43Å; I189-N192 PolarHBondContact O-N 2.99Å; N192-K195 PolarHBondContact O-N 3.43Å; N192-N196 WeakPolarHBondContact O-CB 3.49Å; N192-N196 PolarHBondContact O-N 2.81Å
193H40.4Very low42.2Very low82 Ų8292.8 Ų92.838%0.3845%0.454SS..Hα-helixtrans-65.4-37.5169-108.9-65.7000113.2I189 I191 K195 N196 Y197 M214I189-H193 WeakPolarHBondContact O-CB 3.42Å; I189-H193 PolarHBondContact O-N 3.04Å; I191-H193 VanDerWaalsContact C-N 3.27Å; I191-H193 PolarHBondContact O-N 2.99Å; H193-K195 VanDerWaalsContact C-N 3.26Å; H193-K195 PolarHBondContact O-N 3.1Å; H193-N196 PolarHBondContact O-N 3.42Å; H193-Y197 WeakPolarHBondContact O-CA 3.47Å; H193-Y197 WeakPolarHBondContact O-CB 3.17Å; H193-Y197 PolarHBondContact O-N 3.49Å; H193-M214 VanDerWaalsContact NE2-CE 3.29Å; H193-M214 WeakPolarHBondContact NE2-CE 3.45Å
194S40.9Very low40.6Very low53 Ų5393.1 Ų93.137%0.37146%0.456SS..Hα-helixtrans-64.9-28.3178.876.70000113.8F190 I191 I198F190-S194 WeakPolarHBondContact O-CB 3.2Å; F190-S194 PolarHBondContact O-N 2.77Å; I191-S194 WeakPolarHBondContact O-CA 3.05Å; I191-S194 PolarHBondContact O-N 2.6Å; I191-S194 PolarHBondContact O-OG 3.46Å; S194-I198 WeakPolarHBondContact O-CD1 3.28Å; S194-I198 WeakPolarHBondContact O-CG1 3.34Å
195K35.4Very low39.5Very low142 Ų14295.6 Ų95.662%0.61747%0.47SS*.Hα-helixtrans-80.8-57.3169.1-75.2-171.8172.6-173.10111.2I191 N192 H193 Y197 I198 I199I191-K195 PolarHBondContact O-N 2.86Å; N192-K195 PolarHBondContact O-N 3.43Å; H193-K195 VanDerWaalsContact C-N 3.26Å; H193-K195 PolarHBondContact O-N 3.1Å; K195-Y197 VanDerWaalsContact C-N 3.34Å; K195-Y197 PolarHBondContact O-N 2.82Å; K195-I198 PolarHBondContact O-N 3.42Å; K195-I198 VanDerWaalsContact O-N 3.08Å; K195-I199 WeakPolarHBondContact O-CG1 3.36Å; K195-I199 PolarHBondContact O-N 3.32Å; K195-I199 VanDerWaalsContact O-N 3.12Å
196N34.6Very low38.4Very low88 Ų88100.8 Ų100.847%0.47150%0.5SS..Hα-helixtrans-67.4-32.4-171.9-71.217000112.4N192 H193 I198 I199 T200N192-N196 WeakPolarHBondContact O-CB 3.49Å; N192-N196 PolarHBondContact O-N 2.81Å; H193-N196 PolarHBondContact O-N 3.42Å; N196-I198 VanDerWaalsContact C-N 3.27Å; N196-I198 PolarHBondContact O-N 3.22Å; N196-I199 PolarHBondContact O-N 3.46Å; N196-I199 VanDerWaalsContact O-N 3.13Å; N196-T200 HydrophobicContact CB-CG2 4.48Å; N196-T200 WeakPolarHBondContact O-CB 3.41Å; N196-T200 WeakPolarHBondContact O-CG2 3.08Å; N196-T200 PolarHBondContact O-N 3.35Å; N196-T200 PolarHBondContact O-OG1 2.83Å
197Y33.5Very low37.1Very low151 Ų151103.8 Ų103.859%0.59252%0.522SS*.Hα-helixtrans-66.4-28.4175.2-159.6-85.1000112.2H193 K195 T201H193-Y197 WeakPolarHBondContact O-CA 3.47Å; H193-Y197 WeakPolarHBondContact O-CB 3.17Å; H193-Y197 PolarHBondContact O-N 3.49Å; K195-Y197 VanDerWaalsContact C-N 3.34Å; K195-Y197 PolarHBondContact O-N 2.82Å; Y197-T201 HydrophobicContact CD1-CG2 3.82Å; Y197-T201 HydrophobicContact CD2-CG2 4.28Å; Y197-T201 HydrophobicContact CE1-CG2 3.78Å; Y197-T201 HydrophobicContact CE2-CG2 4.26Å; Y197-T201 HydrophobicContact CG-CG2 4.07Å; Y197-T201 WeakPolarHBondContact O-CB 3.49Å; Y197-T201 VanDerWaalsContact O-CG2 3.23Å; Y197-T201 WeakPolarHBondContact O-CG2 3.47Å; Y197-T201 PolarHBondContact O-OG1 2.9Å
198I36.1Very low36.3Very low119 Ų119104.6 Ų104.661%0.6153%0.532SS*.Hα-helixtrans-74.6-37.5171.4-64.5175.2000110.6S194 K195 N196 F202S194-I198 WeakPolarHBondContact O-CD1 3.28Å; S194-I198 WeakPolarHBondContact O-CG1 3.34Å; K195-I198 PolarHBondContact O-N 3.42Å; K195-I198 VanDerWaalsContact O-N 3.08Å; N196-I198 VanDerWaalsContact C-N 3.27Å; N196-I198 PolarHBondContact O-N 3.22Å; I198-F202 WeakPolarHBondContact O-CD2 3.39Å
199I32.8Very low35.3Very low95 Ų95110.8 Ų110.849%0.48756%0.559SS.*Hα-helixtrans-79.2-47.6-176.3-61.8169.8000111.8K195 N196 L203K195-I199 WeakPolarHBondContact O-CG1 3.36Å; K195-I199 PolarHBondContact O-N 3.32Å; K195-I199 VanDerWaalsContact O-N 3.12Å; N196-I199 PolarHBondContact O-N 3.46Å; N196-I199 VanDerWaalsContact O-N 3.13Å; I199-L203 HydrophobicContact CG2-CD1 4.15Å; I199-L203 WeakPolarHBondContact O-CB 3.33Å; I199-L203 PolarHBondContact O-N 3.49Å
200T31.3Very low34.2Very low68 Ų68119 Ų11942%0.41759%0.586SS.*Hα-helixtrans-81.7-33.6-172.1660000113.6N196 F202 L203 N204N196-T200 HydrophobicContact CB-CG2 4.48Å; N196-T200 WeakPolarHBondContact O-CB 3.41Å; N196-T200 WeakPolarHBondContact O-CG2 3.08Å; N196-T200 PolarHBondContact O-N 3.35Å; N196-T200 PolarHBondContact O-OG1 2.83Å; T200-F202 PolarHBondContact O-N 2.79Å; T200-L203 PolarHBondContact O-N 3.41Å; T200-L203 VanDerWaalsContact O-N 3.09Å; T200-N204 PolarHBondContact O-N 3.21Å
201T32.3Very low33.8Very low74 Ų74120.3 Ų120.345%0.45459%0.592SS.*Hα-helixtrans-66.6-22175.462.80000112.8Y197Y197-T201 HydrophobicContact CD1-CG2 3.82Å; Y197-T201 HydrophobicContact CD2-CG2 4.28Å; Y197-T201 HydrophobicContact CE1-CG2 3.78Å; Y197-T201 HydrophobicContact CE2-CG2 4.26Å; Y197-T201 HydrophobicContact CG-CG2 4.07Å; Y197-T201 WeakPolarHBondContact O-CB 3.49Å; Y197-T201 VanDerWaalsContact O-CG2 3.23Å; Y197-T201 WeakPolarHBondContact O-CG2 3.47Å; Y197-T201 PolarHBondContact O-OG1 2.9Å
202F33.7Very low33.3Very low174 Ų174121.9 Ų121.976%0.76360%0.604SS**Hα-helixtrans-88.4-17.7171.3-90.3-82000114.6I198 T200I198-F202 WeakPolarHBondContact O-CD2 3.39Å; T200-F202 PolarHBondContact O-N 2.79Å
203L36.8Very low33.2Very low137 Ų137122.4 Ų122.472%0.71761%0.607SS**Hα-helixtrans-122.8-13.7-169.7-77.3168.8000116.6I199 T200I199-L203 HydrophobicContact CG2-CD1 4.15Å; I199-L203 WeakPolarHBondContact O-CB 3.33Å; I199-L203 PolarHBondContact O-N 3.49Å; T200-L203 PolarHBondContact O-N 3.41Å; T200-L203 VanDerWaalsContact O-N 3.09Å
204N26.6Very low33.3Very low97 Ų97121.3 Ų121.352%0.51960%0.602SS.*  trans-153.5101.2173.8-134.5-40.5000115.1T200 N206T200-N204 PolarHBondContact O-N 3.21Å; N204-N206 VanDerWaalsContact C-N 3.29Å; N204-N206 PolarHBondContact O-N 2.81Å; N204-N206 PolarHBondContact OD1-N 3.49Å
205L32.8Very low33.6Very low154 Ų154122.7 Ų122.781%0.80661%0.608SS**SBendtrans-76.3-11.4174.5-107.9155.5000113.8
206N35.1Very low34.2Very low144 Ų144119.3 Ų119.377%0.7760%0.6SS**  trans-102.8-6.2-169.3-73.4-12.8000115.3N204 I208N204-N206 VanDerWaalsContact C-N 3.29Å; N204-N206 PolarHBondContact O-N 2.81Å; N204-N206 PolarHBondContact OD1-N 3.49Å; N206-I208 PolarHBondContact O-N 2.92Å
207S28.2Very low35.2Very low84 Ų84117.7 Ų117.759%0.58759%0.591SS**  trans-82.350.6-177.864.90000113.6
208I33.5Very low36.1Very low118 Ų118115.5 Ų115.561%0.60558%0.584SS**G310 helixtrans-78.4-20.7-171.3-68174.1000113.3N206 W210N206-I208 PolarHBondContact O-N 2.92Å; I208-W210 VanDerWaalsContact C-N 3.34Å; I208-W210 PolarHBondContact O-N 3.36Å
209K28Very low37.1Very low204 Ų204114.3 Ų114.389%0.88758%0.578SS**G310 helixtrans-79.65.3-167.9-77.6-169.9172.8-176.40117.6
210W26.2Very low38.4Very low237 Ų237113.6 Ų113.690%0.89857%0.573SS**G310 helixtrans-116.425.8175-81.473.5000113.5I208 V212I208-W210 VanDerWaalsContact C-N 3.34Å; I208-W210 PolarHBondContact O-N 3.36Å; W210-V212 PolarHBondContact O-N 3.41Å
211F29.4Very low39.9Very low158 Ų158111.4 Ų111.469%0.69356%0.558SS**  trans-71.674.7161.4-90.5-87.5000111
212V32.9Very low41.4Very low95 Ų95112.9 Ų112.958%0.57656%0.562SS**  trans-65.2125.8146.8177.40000105.8W210 M214W210-V212 PolarHBondContact O-N 3.41Å; V212-M214 PolarHBondContact O-N 2.88Å
213D36.9Very low42.9Very low97 Ų97108.9 Ų108.952%0.51955%0.548SS..  trans-53.6108.2-163.4-104.3-48.1000113.2T215 T216 I217D213-T215 PolarHBondContact O-N 3.18Å; D213-T215 PolarHBondContact OD1-OG1 3.09Å; D213-T216 HydrophobicContact CB-CG2 3.73Å; D213-T216 PolarHBondContact O-N 2.79Å; D213-T216 PolarHBondContact O-OG1 3.37Å; D213-I217 PolarHBondContact O-N 3.42Å
214M43.1Very low44.2Very low59 Ų59102.9 Ų102.929%0.29152%0.517SS..Hα-helixtrans-64.2-11178.7-71.7-68.3-71.400113H193 V212 I217 K218H193-M214 VanDerWaalsContact NE2-CE 3.29Å; H193-M214 WeakPolarHBondContact NE2-CE 3.45Å; V212-M214 PolarHBondContact O-N 2.88Å; M214-I217 HydrophobicContact SD-CD1 4.11Å; M214-K218 WeakPolarHBondContact O-CD 3.18Å; M214-K218 VanDerWaalsContact O-CG 3.27Å; M214-K218 WeakPolarHBondContact O-CG 3.27Å
215T46.5Very low46.2Very low81 Ų81101.6 Ų101.650%0.49751%0.509SS..Hα-helixtrans-73.5-46.5166.650.20000111.4D213 I217 K218 I219D213-T215 PolarHBondContact O-N 3.18Å; D213-T215 PolarHBondContact OD1-OG1 3.09Å; T215-I217 PolarHBondContact O-N 2.91Å; T215-K218 PolarHBondContact O-N 3.29Å; T215-I219 WeakPolarHBondContact O-CB 3.4Å; T215-I219 WeakPolarHBondContact O-CD1 3.47Å; T215-I219 VanDerWaalsContact O-CG1 3.24Å; T215-I219 WeakPolarHBondContact O-CG1 3.5Å; T215-I219 PolarHBondContact O-N 3Å
216T48.4Very low47.9Very low71 Ų7198.9 Ų98.944%0.43650%0.495SS..Hα-helixtrans-64-43.2-179.764.80000111.6D213 K218 I219 Q220D213-T216 HydrophobicContact CB-CG2 3.73Å; D213-T216 PolarHBondContact O-N 2.79Å; D213-T216 PolarHBondContact O-OG1 3.37Å; T216-K218 VanDerWaalsContact C-N 3.33Å; T216-K218 PolarHBondContact O-N 2.95Å; T216-I219 PolarHBondContact O-N 2.85Å; T216-Q220 WeakPolarHBondContact O-CB 3.39Å; T216-Q220 PolarHBondContact O-N 3.04Å
217I54.8Low49.6Very low54 Ų5492.7 Ų92.728%0.27746%0.461SS..Hα-helixtrans-59.8-42.6176.3-62.7172.9000111.1D213 M214 T215 Q221D213-I217 PolarHBondContact O-N 3.42Å; M214-I217 HydrophobicContact SD-CD1 4.11Å; T215-I217 PolarHBondContact O-N 2.91Å; I217-Q221 WeakPolarHBondContact O-CB 3.34Å; I217-Q221 VanDerWaalsContact O-CG 3.23Å; I217-Q221 WeakPolarHBondContact O-CG 3.45Å; I217-Q221 PolarHBondContact O-N 3.03Å
218K52.6Low51.6Low106 Ų10688.8 Ų88.846%0.46143%0.434SS..Hα-helixtrans-67.8-41.7176.4-73.7172.7-174.5170.70112.2M214 T215 T216 Q221 I222M214-K218 WeakPolarHBondContact O-CD 3.18Å; M214-K218 VanDerWaalsContact O-CG 3.27Å; M214-K218 WeakPolarHBondContact O-CG 3.27Å; T215-K218 PolarHBondContact O-N 3.29Å; T216-K218 VanDerWaalsContact C-N 3.33Å; T216-K218 PolarHBondContact O-N 2.95Å; K218-Q221 PolarHBondContact O-N 3.37Å; K218-I222 WeakPolarHBondContact O-CB 3.31Å; K218-I222 VanDerWaalsContact O-CG1 3.27Å; K218-I222 WeakPolarHBondContact O-CG1 3.39Å; K218-I222 PolarHBondContact O-N 2.77Å
219I56.9Low53.3Low94 Ų9488.6 Ų88.648%0.48243%0.429SS..Hα-helixtrans-63.1-45.1176.7-70.6163.2000110.1T215 T216 Q221 I222 N223T215-I219 WeakPolarHBondContact O-CB 3.4Å; T215-I219 WeakPolarHBondContact O-CD1 3.47Å; T215-I219 VanDerWaalsContact O-CG1 3.24Å; T215-I219 WeakPolarHBondContact O-CG1 3.5Å; T215-I219 PolarHBondContact O-N 3Å; T216-I219 PolarHBondContact O-N 2.85Å; I219-Q221 VanDerWaalsContact C-N 3.33Å; I219-Q221 PolarHBondContact O-N 3.36Å; I219-I222 PolarHBondContact O-N 3.05Å; I219-N223 WeakPolarHBondContact O-CB 3.46Å; I219-N223 PolarHBondContact O-N 3.35Å; I219-N223 PolarHBondContact O-OD1 3.32Å
220Q60Low55.4Low79 Ų7981.9 Ų81.937%0.36940%0.402SS..Hα-helixtrans-60.3-41.8176.1-169.2-178.813.500111.7T216 N223 Q224T216-Q220 WeakPolarHBondContact O-CB 3.39Å; T216-Q220 PolarHBondContact O-N 3.04Å; Q220-N223 PolarHBondContact O-N 2.71Å; Q220-Q224 WeakPolarHBondContact O-CG 3.48Å; Q220-Q224 PolarHBondContact O-N 3.37Å
221Q62.7Low57.5Low23 Ų2370.6 Ų70.611%0.10736%0.36CS..Hα-helixtrans-67.4-39.6176.2-72167.93.800112.8T186 I189 I217 K218 I219 Q224 I225T186-Q221 HydrophobicContact CG2-CB 4.29Å; T186-Q221 HydrophobicContact CG2-CG 4.3Å; I189-Q221 VanDerWaalsContact CD1-NE2 3.3Å; I217-Q221 WeakPolarHBondContact O-CB 3.34Å; I217-Q221 VanDerWaalsContact O-CG 3.23Å; I217-Q221 WeakPolarHBondContact O-CG 3.45Å; I217-Q221 PolarHBondContact O-N 3.03Å; K218-Q221 PolarHBondContact O-N 3.37Å; I219-Q221 VanDerWaalsContact C-N 3.33Å; I219-Q221 PolarHBondContact O-N 3.36Å; Q221-Q224 PolarHBondContact O-N 3.16Å; Q221-I225 VanDerWaalsContact O-CG1 3.32Å; Q221-I225 WeakPolarHBondContact O-CG1 3.44Å; Q221-I225 PolarHBondContact O-N 2.74Å
222I63.9Low59.5Low104 Ų10464 Ų6453%0.53333%0.332SS..Hα-helixtrans-64.5-43.6173.7-70.4164.1000110.3K218 I219 Q224 I225 L226K218-I222 WeakPolarHBondContact O-CB 3.31Å; K218-I222 VanDerWaalsContact O-CG1 3.27Å; K218-I222 WeakPolarHBondContact O-CG1 3.39Å; K218-I222 PolarHBondContact O-N 2.77Å; I219-I222 PolarHBondContact O-N 3.05Å; I222-Q224 PolarHBondContact O-N 2.78Å; I222-I225 PolarHBondContact O-N 3.21Å; I222-L226 VanDerWaalsContact O-CB 3.28Å; I222-L226 WeakPolarHBondContact O-CB 3.25Å; I222-L226 PolarHBondContact O-N 3.43Å
223N64.5Low61.2Low90 Ų9063.8 Ų63.848%0.48133%0.326SS..Hα-helixtrans-61.8-41.7177.1-69.6-6.5000111.5I219 Q220 L226 L227I219-N223 WeakPolarHBondContact O-CB 3.46Å; I219-N223 PolarHBondContact O-N 3.35Å; I219-N223 PolarHBondContact O-OD1 3.32Å; Q220-N223 PolarHBondContact O-N 2.71Å; N223-L226 PolarHBondContact O-N 3.5Å; N223-L227 WeakPolarHBondContact O-CB 3.19Å; N223-L227 PolarHBondContact O-N 3.35Å
224Q66.1Low62.9Low12 Ų1260.2 Ų60.26%0.05631%0.307CS..Hα-helixtrans-64.1-46.5175-76.6177.4-10.200112V35 Q220 Q221 I222 L226 L227 I228V35-Q224 VanDerWaalsContact CG2-NE2 3.29Å; Q220-Q224 WeakPolarHBondContact O-CG 3.48Å; Q220-Q224 PolarHBondContact O-N 3.37Å; Q221-Q224 PolarHBondContact O-N 3.16Å; I222-Q224 PolarHBondContact O-N 2.78Å; Q224-L226 VanDerWaalsContact C-N 3.28Å; Q224-L226 PolarHBondContact O-N 3.35Å; Q224-L227 PolarHBondContact O-N 3.07Å; Q224-I228 VanDerWaalsContact O-CD1 3.25Å; Q224-I228 WeakPolarHBondContact O-CD1 3.46Å; Q224-I228 WeakPolarHBondContact O-CG1 3.26Å; Q224-I228 PolarHBondContact O-N 2.94Å
225I67.9Low64.1Low69 Ų6957.4 Ų57.435%0.35429%0.293SS..Hα-helixtrans-59.7-41175.8-68.4166.3000110.9Q221 I222 F229Q221-I225 VanDerWaalsContact O-CG1 3.32Å; Q221-I225 WeakPolarHBondContact O-CG1 3.44Å; Q221-I225 PolarHBondContact O-N 2.74Å; I222-I225 PolarHBondContact O-N 3.21Å; I225-F229 WeakPolarHBondContact O-CB 3.33Å; I225-F229 PolarHBondContact O-N 2.99Å
226L67.7Low65.1Low97 Ų9757.1 Ų57.151%0.50829%0.287SS..Hα-helixtrans-67.8-39.4177.1-178.6142.4000112.4I222 N223 Q224 F229 I230I222-L226 VanDerWaalsContact O-CB 3.28Å; I222-L226 WeakPolarHBondContact O-CB 3.25Å; I222-L226 PolarHBondContact O-N 3.43Å; N223-L226 PolarHBondContact O-N 3.5Å; Q224-L226 VanDerWaalsContact C-N 3.28Å; Q224-L226 PolarHBondContact O-N 3.35Å; L226-F229 PolarHBondContact O-N 3.42Å; L226-I230 HydrophobicContact CD2-CD1 3.59Å; L226-I230 HydrophobicContact CG-CD1 4.26Å; L226-I230 WeakPolarHBondContact O-CG1 3.19Å; L226-I230 PolarHBondContact O-N 2.89Å
227L71Confident65.9Low14 Ų1459.8 Ų59.87%0.07329%0.29CS..Hα-helixtrans-61.3-47.7174.1-179.365.9000111.3M24 L27 N28 N223 Q224 F229 I230 L231M24-L227 HydrophobicContact CE-CD1 3.5Å; M24-L227 VanDerWaalsContact CE-CD1 3.5Å; M24-L227 HydrophobicContact SD-CD1 4.09Å; L27-L227 HydrophobicContact CD2-CD1 3.98Å; L27-L227 HydrophobicContact CD2-CD2 4.41Å; L27-L227 HydrophobicContact CG-CD1 4.48Å; L27-L227 HydrophobicContact CG-CD2 4.16Å; N28-L227 HydrophobicContact CB-CD2 4.01Å; N28-L227 HydrophobicContact CB-CG 4.47Å; N223-L227 WeakPolarHBondContact O-CB 3.19Å; N223-L227 PolarHBondContact O-N 3.35Å; Q224-L227 PolarHBondContact O-N 3.07Å; L227-F229 VanDerWaalsContact C-N 3.32Å; L227-F229 PolarHBondContact O-N 3.19Å; L227-I230 PolarHBondContact O-N 3.49Å; L227-L231 HydrophobicContact CG-CD1 4.38Å; L227-L231 PolarHBondContact O-N 3.3Å
228I69.8Low66.1Low3 Ų357.2 Ų57.22%0.01528%0.277CS..Hα-helixtrans-64.6-38177.9-58.8153.3000110.8C175 I178 M179 T182 Q224 L231 L232C175-I228 HydrophobicContact CB-CG2 4.2Å; I178-I228 HydrophobicContact CB-CD1 4.07Å; I178-I228 HydrophobicContact CB-CG1 4.34Å; I178-I228 HydrophobicContact CB-CG2 4.47Å; I178-I228 HydrophobicContact CG2-CD1 3.38Å; I178-I228 HydrophobicContact CG2-CG1 3.92Å; M179-I228 HydrophobicContact CG-CB 4.36Å; M179-I228 HydrophobicContact CG-CG2 3.48Å; M179-I228 VanDerWaalsContact CG-CG2 3.48Å; M179-I228 HydrophobicContact SD-CG2 4.47Å; T182-I228 HydrophobicContact CG2-CD1 4.17Å; Q224-I228 VanDerWaalsContact O-CD1 3.25Å; Q224-I228 WeakPolarHBondContact O-CD1 3.46Å; Q224-I228 WeakPolarHBondContact O-CG1 3.26Å; Q224-I228 PolarHBondContact O-N 2.94Å; I228-L231 PolarHBondContact O-N 3Å; I228-L232 PolarHBondContact O-N 3.34Å
229F70.8Confident66.6Low114 Ų11453.7 Ų53.750%0.526%0.263SS..Hα-helixtrans-67.4-39.7176.5-174.7-106.8000112.4I225 L226 L227 L232 I233I225-F229 WeakPolarHBondContact O-CB 3.33Å; I225-F229 PolarHBondContact O-N 2.99Å; L226-F229 PolarHBondContact O-N 3.42Å; L227-F229 VanDerWaalsContact C-N 3.32Å; L227-F229 PolarHBondContact O-N 3.19Å; F229-L232 WeakPolarHBondContact O-CB 3.5Å; F229-L232 PolarHBondContact O-N 3.18Å; F229-I233 HydrophobicContact CD1-CD1 3.94Å; F229-I233 HydrophobicContact CE1-CD1 3.59Å; F229-I233 HydrophobicContact CZ-CD1 4.1Å; F229-I233 WeakPolarHBondContact O-CG1 3.41Å; F229-I233 PolarHBondContact O-N 3.11Å; F229-I233 VanDerWaalsContact O-N 3.09Å
230I70.5Confident66.6Low63 Ų6351.6 Ų51.632%0.32326%0.257SS..Hα-helixtrans-64.4-43172.3-69167.7000110.4M24 L226 L227 L232 I233 I234M24-I230 HydrophobicContact CE-CB 4.28Å; M24-I230 HydrophobicContact CE-CG2 3.63Å; L226-I230 HydrophobicContact CD2-CD1 3.59Å; L226-I230 HydrophobicContact CG-CD1 4.26Å; L226-I230 WeakPolarHBondContact O-CG1 3.19Å; L226-I230 PolarHBondContact O-N 2.89Å; L227-I230 PolarHBondContact O-N 3.49Å; I230-L232 VanDerWaalsContact C-N 3.32Å; I230-L232 PolarHBondContact O-N 2.69Å; I230-I233 PolarHBondContact O-N 2.83Å; I230-I234 HydrophobicContact CG2-CD1 3.76Å; I230-I234 HydrophobicContact CG2-CG1 4.32Å; I230-I234 VanDerWaalsContact O-CG1 3.31Å; I230-I234 WeakPolarHBondContact O-CG1 3.28Å; I230-I234 PolarHBondContact O-N 3.49Å
231L71.2Confident66.4Low0 Ų050.3 Ų50.30%025%0.252CS..Hα-helixtrans-59.9-38.8173.6-84.7163000112.7Y21 M24 N28 L227 I228 I234 N235Y21-L231 HydrophobicContact CD2-CD2 4.4Å; Y21-L231 HydrophobicContact CE2-CD2 4.5Å; M24-L231 HydrophobicContact CB-CD2 3.85Å; M24-L231 HydrophobicContact CB-CG 4.27Å; N28-L231 HydrophobicContact CB-CD1 3.41Å; N28-L231 VanDerWaalsContact CB-CD1 3.41Å; L227-L231 HydrophobicContact CG-CD1 4.38Å; L227-L231 PolarHBondContact O-N 3.3Å; I228-L231 PolarHBondContact O-N 3Å; L231-I234 PolarHBondContact O-N 2.9Å; L231-N235 WeakPolarHBondContact O-CB 3.43Å; L231-N235 PolarHBondContact O-N 3.29Å; L231-N235 PolarHBondContact O-ND2 3.24Å
232L71.2Confident66.2Low20 Ų2050 Ų5011%0.10525%0.252CS..Hα-helixtrans-62.1-42.7174.2-173.371.7000111.7I172 C175 F176 M179 I228 F229 I230 N235 I236I172-L232 HydrophobicContact CG2-CD1 4.21Å; C175-L232 HydrophobicContact CB-CB 4.39Å; C175-L232 HydrophobicContact CB-CD1 3.89Å; F176-L232 HydrophobicContact CE2-CD1 4.17Å; F176-L232 HydrophobicContact CZ-CD1 4.33Å; M179-L232 HydrophobicContact CE-CD2 4.23Å; I228-L232 PolarHBondContact O-N 3.34Å; F229-L232 WeakPolarHBondContact O-CB 3.5Å; F229-L232 PolarHBondContact O-N 3.18Å; I230-L232 VanDerWaalsContact C-N 3.32Å; I230-L232 PolarHBondContact O-N 2.69Å; L232-N235 PolarHBondContact O-N 3.46Å; L232-I236 HydrophobicContact CG-CD1 4.18Å; L232-I236 WeakPolarHBondContact O-CD1 3.16Å; L232-I236 VanDerWaalsContact O-CG1 3.27Å; L232-I236 WeakPolarHBondContact O-CG1 3.26Å; L232-I236 PolarHBondContact O-N 3.49Å
233I69.6Low65.7Low89 Ų8947.6 Ų47.646%0.45625%0.245SC..Hα-helixtrans-64.7-43.8175.4-66.6166.4000110.9F229 I230 I236 Y237F229-I233 HydrophobicContact CD1-CD1 3.94Å; F229-I233 HydrophobicContact CE1-CD1 3.59Å; F229-I233 HydrophobicContact CZ-CD1 4.1Å; F229-I233 WeakPolarHBondContact O-CG1 3.41Å; F229-I233 PolarHBondContact O-N 3.11Å; F229-I233 VanDerWaalsContact O-N 3.09Å; I230-I233 PolarHBondContact O-N 2.83Å; I233-I236 PolarHBondContact O-N 2.85Å; I233-Y237 WeakPolarHBondContact O-CB 3.34Å; I233-Y237 PolarHBondContact O-N 2.84Å
234I71.7Confident64.8Low22 Ų2248.4 Ų48.411%0.11324%0.244CC..Hα-helixtrans-60.6-45.1176.1-70.4170.8000110.3F17 Y21 M24 I230 L231 I236 Y237 A238F17-I234 HydrophobicContact CE2-CG1 4.48Å; F17-I234 HydrophobicContact CE2-CG2 3.96Å; F17-I234 HydrophobicContact CZ-CB 4.5Å; F17-I234 HydrophobicContact CZ-CG2 3.68Å; Y21-I234 HydrophobicContact CD1-CG2 4.34Å; Y21-I234 HydrophobicContact CD2-CG2 3.32Å; Y21-I234 HydrophobicContact CE2-CG2 3.97Å; Y21-I234 HydrophobicContact CG-CG2 3.54Å; M24-I234 HydrophobicContact CB-CD1 4.4Å; M24-I234 HydrophobicContact CG-CD1 4.17Å; I230-I234 HydrophobicContact CG2-CD1 3.76Å; I230-I234 HydrophobicContact CG2-CG1 4.32Å; I230-I234 VanDerWaalsContact O-CG1 3.31Å; I230-I234 WeakPolarHBondContact O-CG1 3.28Å; I230-I234 PolarHBondContact O-N 3.49Å; L231-I234 PolarHBondContact O-N 2.9Å; I234-I236 PolarHBondContact O-N 2.88Å; I234-Y237 PolarHBondContact O-N 3.26Å; I234-A238 WeakPolarHBondContact O-CB 3.44Å; I234-A238 PolarHBondContact O-N 3.24Å
235N68.9Low63.3Low0 Ų053.5 Ų53.50%027%0.27CS..Hα-helixtrans-59.1-44.9175.4-74.7-19.2000111.9Y21 N102 V168 G171 I172 C175 L231 L232 Y237 A238 L239Y21-N235 WeakPolarHBondContact CE2-OD1 3.21Å; Y21-N235 PolarHBondContact OH-OD1 3.06Å; N102-N235 PolarHBondContact OD1-ND2 3.11Å; V168-N235 WeakPolarHBondContact CG1-O 3.36Å; G171-N235 VanDerWaalsContact C-ND2 3.26Å; G171-N235 PolarHBondContact O-ND2 2.85Å; I172-N235 HydrophobicContact CG1-CB 3.67Å; C175-N235 PolarHBondContact SG-ND2 2.88Å; L231-N235 WeakPolarHBondContact O-CB 3.43Å; L231-N235 PolarHBondContact O-N 3.29Å; L231-N235 PolarHBondContact O-ND2 3.24Å; L232-N235 PolarHBondContact O-N 3.46Å; N235-Y237 PolarHBondContact O-N 3.26Å; N235-A238 PolarHBondContact O-N 2.91Å; N235-L239 WeakPolarHBondContact O-CB 3.2Å; N235-L239 PolarHBondContact O-N 2.96Å
236I67.2Low61.4Low75 Ų7557.6 Ų57.639%0.38529%0.285SS..Hα-helixtrans-64.3-39.1176.8-68.8163.7000111.2L232 I233 I234 L239 C240L232-I236 HydrophobicContact CG-CD1 4.18Å; L232-I236 WeakPolarHBondContact O-CD1 3.16Å; L232-I236 VanDerWaalsContact O-CG1 3.27Å; L232-I236 WeakPolarHBondContact O-CG1 3.26Å; L232-I236 PolarHBondContact O-N 3.49Å; I233-I236 PolarHBondContact O-N 2.85Å; I234-I236 PolarHBondContact O-N 2.88Å; I236-L239 WeakPolarHBondContact O-CB 3.11Å; I236-L239 PolarHBondContact O-N 3.2Å; I236-C240 PolarHBondContact O-N 3.27Å; I236-C240 VanDerWaalsContact O-N 3.16Å; I236-C240 PolarHBondContact O-SG 3.32Å
237Y65.6Low59.3Low127 Ų12758.5 Ų58.550%0.49830%0.299SS..Hα-helixtrans-70.4-39.5176.8-170.2-98.6000112.3F17 I233 I234 N235 L239 C240 L241F17-Y237 HydrophobicContact CD1-CD1 4.44Å; F17-Y237 HydrophobicContact CD2-CD1 4.01Å; F17-Y237 HydrophobicContact CD2-CE1 4.19Å; F17-Y237 HydrophobicContact CE1-CD1 4.02Å; F17-Y237 AromaticContact CE2-CD1 3.54Å; F17-Y237 HydrophobicContact CE2-CD1 3.54Å; F17-Y237 HydrophobicContact CE2-CE1 4.18Å; F17-Y237 HydrophobicContact CE2-CG 4.43Å; F17-Y237 HydrophobicContact CG-CD1 4.45Å; F17-Y237 HydrophobicContact CG-CE1 4.44Å; F17-Y237 AromaticContact CZ-CD1 3.56Å; F17-Y237 HydrophobicContact CZ-CD1 3.56Å; F17-Y237 HydrophobicContact CZ-CE1 4.43Å; F17-Y237 HydrophobicContact CZ-CG 4.4Å; I233-Y237 WeakPolarHBondContact O-CB 3.34Å; I233-Y237 PolarHBondContact O-N 2.84Å; I234-Y237 PolarHBondContact O-N 3.26Å; N235-Y237 PolarHBondContact O-N 3.26Å; Y237-L239 VanDerWaalsContact C-N 3.31Å; Y237-L239 PolarHBondContact O-N 3.29Å; Y237-C240 WeakPolarHBondContact O-CB 3.22Å; Y237-C240 PolarHBondContact O-N 2.96Å; Y237-L241 HydrophobicContact CD1-CD1 3.91Å; Y237-L241 HydrophobicContact CD1-CG 4.26Å; Y237-L241 HydrophobicContact CE1-CD1 3.55Å; Y237-L241 HydrophobicContact CE1-CG 4.01Å; Y237-L241 PolarHBondContact O-N 3.46Å
238A59.2Low57Low0 Ų065 Ų650%033%0.326CS..Hα-helixtrans-61.5-37.6173.200000111.9F17 Y21 Y109 V168 I234 N235 L241 S242F17-A238 HydrophobicContact CE1-CB 3.93Å; F17-A238 HydrophobicContact CZ-CB 4.2Å; Y21-A238 HydrophobicContact CE1-CB 4.14Å; Y109-A238 HydrophobicContact CD2-CB 4.28Å; Y109-A238 HydrophobicContact CE2-CB 4.11Å; V168-A238 HydrophobicContact CG1-CB 4.19Å; V168-A238 HydrophobicContact CG2-CB 3.97Å; I234-A238 WeakPolarHBondContact O-CB 3.44Å; I234-A238 PolarHBondContact O-N 3.24Å; N235-A238 PolarHBondContact O-N 2.91Å; A238-L241 PolarHBondContact O-N 3.45Å; A238-S242 WeakPolarHBondContact O-CB 3.47Å; A238-S242 PolarHBondContact O-N 3.23Å; A238-S242 PolarHBondContact O-OG 3.01Å
239L63.1Low54.8Low33 Ų3375 Ų7517%0.17337%0.365CS..Hα-helixtrans-63-42.8173.7-168.477.5000111.5V168 I169 I172 N235 I236 Y237 S242 S243 L386V168-L239 HydrophobicContact CG1-CB 3.89Å; V168-L239 HydrophobicContact CG1-CD1 4.08Å; I169-L239 HydrophobicContact CD1-CD1 4.43Å; I169-L239 HydrophobicContact CG1-CD1 3.85Å; I172-L239 HydrophobicContact CD1-CD2 4.35Å; N235-L239 WeakPolarHBondContact O-CB 3.2Å; N235-L239 PolarHBondContact O-N 2.96Å; I236-L239 WeakPolarHBondContact O-CB 3.11Å; I236-L239 PolarHBondContact O-N 3.2Å; Y237-L239 VanDerWaalsContact C-N 3.31Å; Y237-L239 PolarHBondContact O-N 3.29Å; L239-S242 PolarHBondContact O-OG 3.36Å; L239-S243 WeakPolarHBondContact O-CB 3.4Å; L239-S243 PolarHBondContact O-N 3.23Å; L239-S243 PolarHBondContact O-OG 3.34Å; L239-L386 HydrophobicContact CD2-CD2 4.18Å
240C55.4Low52.6Low50 Ų5078.3 Ų78.334%0.33838%0.376SS..Hα-helixtrans-62.5-40.2174.4-71.80000112I236 Y237 S243I236-C240 PolarHBondContact O-N 3.27Å; I236-C240 VanDerWaalsContact O-N 3.16Å; I236-C240 PolarHBondContact O-SG 3.32Å; Y237-C240 WeakPolarHBondContact O-CB 3.22Å; Y237-C240 PolarHBondContact O-N 2.96Å; C240-S243 PolarHBondContact O-OG 3.41Å
241L56.2Low50.3Low51 Ų5184.3 Ų84.327%0.26740%0.4SS..Hα-helixtrans-71.8-46.3177.5-71.5-178.7000113.3F17 Y109 Y237 A238 S243 K244F17-L241 HydrophobicContact CD1-CD1 3.95Å; F17-L241 HydrophobicContact CE1-CD1 4.2Å; Y109-L241 VanDerWaalsContact OH-CB 3.27Å; Y109-L241 WeakPolarHBondContact OH-CB 3.15Å; Y109-L241 VanDerWaalsContact OH-CD1 3.29Å; Y109-L241 WeakPolarHBondContact OH-CD1 3.23Å; Y237-L241 HydrophobicContact CD1-CD1 3.91Å; Y237-L241 HydrophobicContact CD1-CG 4.26Å; Y237-L241 HydrophobicContact CE1-CD1 3.55Å; Y237-L241 HydrophobicContact CE1-CG 4.01Å; Y237-L241 PolarHBondContact O-N 3.46Å; A238-L241 PolarHBondContact O-N 3.45Å; L241-S243 VanDerWaalsContact C-N 3.25Å; L241-S243 PolarHBondContact O-N 2.91Å; L241-K244 PolarHBondContact O-N 2.95Å
242S58.4Low48.1Very low16 Ų1691.2 Ų91.211%0.11244%0.437CS..Hα-helixtrans-63.3-31.7-179.464.50000112.3A238 L239 K244A238-S242 WeakPolarHBondContact O-CB 3.47Å; A238-S242 PolarHBondContact O-N 3.23Å; A238-S242 PolarHBondContact O-OG 3.01Å; L239-S242 PolarHBondContact O-OG 3.36Å; S242-K244 PolarHBondContact O-N 3.32Å
243S53.7Low45.9Very low54 Ų5497.4 Ų97.438%0.37847%0.469SS..THydrogen-bonded Turntrans-65.1-3.1173.7750000115.4L239 C240 L241 I245L239-S243 WeakPolarHBondContact O-CB 3.4Å; L239-S243 PolarHBondContact O-N 3.23Å; L239-S243 PolarHBondContact O-OG 3.34Å; C240-S243 PolarHBondContact O-OG 3.41Å; L241-S243 VanDerWaalsContact C-N 3.25Å; L241-S243 PolarHBondContact O-N 2.91Å; S243-I245 VanDerWaalsContact C-N 3.31Å; S243-I245 PolarHBondContact O-N 3.03Å; S243-I245 WeakPolarHBondContact OG-CD1 3.26Å; S243-I245 WeakPolarHBondContact OG-CG1 3.27Å
244K46.4Very low44Very low108 Ų108101.4 Ų101.447%0.4749%0.491SS..THydrogen-bonded Turntrans54.337.3171.3-87.6-176.1168.5176.30115E161 L241 S242 K246E161-K244 WeakPolarHBondContact OE1-CE 3.4Å; E161-K244 IonicContact OE1-NZ 2.73Å; E161-K244 PolarHBondContact OE1-NZ 2.96Å; E161-K244 WeakPolarHBondContact OE2-CE 3.16Å; E161-K244 IonicContact OE2-NZ 2.76Å; E161-K244 PolarHBondContact OE2-NZ 3.48Å; L241-K244 PolarHBondContact O-N 2.95Å; S242-K244 PolarHBondContact O-N 3.32Å; K244-K246 PolarHBondContact O-N 3.45Å
245I34.5Very low41.8Very low119 Ų119107.6 Ų107.661%0.6152%0.524SS*.  trans-68.775.7175.5-56168.1000110.5S243S243-I245 VanDerWaalsContact C-N 3.31Å; S243-I245 PolarHBondContact O-N 3.03Å; S243-I245 WeakPolarHBondContact OG-CD1 3.26Å; S243-I245 WeakPolarHBondContact OG-CG1 3.27Å
246K27.7Very low39.7Very low154 Ų154114.7 Ų114.767%0.6756%0.562SS**  trans-91.6104.6177.9-72.8-173.3176.9-179.70110.1K244 K248K244-K246 PolarHBondContact O-N 3.45Å; K246-K248 PolarHBondContact O-N 2.81Å
247C24Very low37.6Very low116 Ų116119.9 Ų119.978%0.78458%0.582SS**  trans-68.452.7171.5-68.90000113.4Y249C247-Y249 PolarHBondContact O-N 3.36Å; C247-Y249 VanDerWaalsContact O-N 3.14Å
248K23.1Very low35.8Very low150 Ų150120 Ų12065%0.65259%0.591SS**  trans-72.4104.9172.1-85.9-161.8170.8-170.20110.1K246 Y250K246-K248 PolarHBondContact O-N 2.81Å; K248-Y250 VanDerWaalsContact C-N 3.26Å; K248-Y250 HydrophobicContact CB-CD2 4.31Å; K248-Y250 HydrophobicContact CD-CD2 4.5Å; K248-Y250 HydrophobicContact CD-CE2 4.02Å; K248-Y250 PolarHBondContact O-N 2.83Å
249Y22.3Very low34.4Very low214 Ų214126.8 Ų126.884%0.83963%0.628SS**  trans-65.879.8166.1-97.2-98.1000110.9C247 K251C247-Y249 PolarHBondContact O-N 3.36Å; C247-Y249 VanDerWaalsContact O-N 3.14Å; Y249-K251 PolarHBondContact O-N 2.93Å; Y249-K251 VanDerWaalsContact O-N 3.09Å
250Y23.8Very low32.7Very low184 Ų184132.1 Ų132.172%0.72265%0.651SS**  trans-75.696.1164.7-98.2-76.9000110.2K248K248-Y250 VanDerWaalsContact C-N 3.26Å; K248-Y250 HydrophobicContact CB-CD2 4.31Å; K248-Y250 HydrophobicContact CD-CD2 4.5Å; K248-Y250 HydrophobicContact CD-CE2 4.02Å; K248-Y250 PolarHBondContact O-N 2.83Å
251K22.2Very low31.4Very low189 Ų189137.1 Ų137.182%0.82268%0.675SS**  trans-84.8103.5164.7179.1-172.9179.7-174.50107.5Y249Y249-K251 PolarHBondContact O-N 2.93Å; Y249-K251 VanDerWaalsContact O-N 3.09Å
252N26.5Very low30.3Very low145 Ų145141 Ų14178%0.77570%0.696SS**  trans-140132.9166.3-114.5-2000110.6
253N24.2Very low29.3Very low149 Ų149146.4 Ų146.480%0.79772%0.724SS**  trans-84.7145.7168.5-66.9-23.7000108.6
254L29.5Very low28.2Very low174 Ų174152 Ų15291%0.91175%0.749SS**  trans-155.8152.5152.9-112.7160.9000109.4
255N25.5Very low27.8Very low151 Ų151155.7 Ų155.781%0.80777%0.765SS**  trans-94.1167.8-157.6-85.6-29.7000114.7
256N24.8Very low28Very low149 Ų149154.1 Ų154.180%0.79776%0.755SS**  trans-60.2145.7174-47-53.1000111.9
257K24.2Very low28.3Very low185 Ų185155.4 Ų155.480%0.80476%0.76SS**  -172.8154.1105.6-106.1179.5-179.7-179.50112.9
258N27.6Very low28.8Very low128 Ų128159 Ų15968%0.68476%0.763SS**  trans65.2147.6157.1-59.410.3000117.6
259N28.8Very low29.5Very low144 Ų144157 Ų15777%0.7776%0.758SS**  cis-145.6159.8-10.9-1153.8000111.5
260E27.3Very low30.3Very low144 Ų144151.1 Ų151.167%0.67374%0.74SS**  trans-76.8133.5170.3-62.2176.9139.700110.3
261N29.1Very low30.9Very low156 Ų156148 Ų14883%0.83474%0.735SS**  trans171.991.2149.8-95.6-28000111.7
262N32.1Very low31.9Very low133 Ų133144.4 Ų144.471%0.71173%0.725SS**  trans-16318.3163.5-109.5-48.3000115.8L264N262-L264 PolarHBondContact O-N 3.36Å
263N37.7Very low32.8Very low129 Ų129141.4 Ų141.469%0.6971%0.705SS**THydrogen-bonded Turntrans-70.83.1-166.6-72.3-8.7000116.8
264L31.5Very low33.5Very low172 Ų172141.2 Ų141.290%0.90170%0.697SS**THydrogen-bonded Turntrans-99.5-17.7-172.7-95.8163000115.8N262N262-L264 PolarHBondContact O-N 3.36Å
265K36.8Very low34.3Very low185 Ų185137.7 Ų137.780%0.80468%0.679SS**SBendtrans-91.3-13.1179.8-78.7-176.5175.9176.20115.1
266E39.9Very low35.4Very low86 Ų86135.2 Ų135.240%0.40267%0.666SS.*SBendtrans-76.4-28.2-169.8-64.4-154.3103.600115.6K268 L269 I270E266-K268 VanDerWaalsContact C-N 3.33Å; E266-K268 PolarHBondContact O-N 2.96Å; E266-L269 WeakPolarHBondContact O-CB 3.46Å; E266-L269 PolarHBondContact O-N 3.31Å; E266-I270 PolarHBondContact O-N 2.89Å
267K32.7Very low36.6Very low181 Ų181131.2 Ų131.279%0.78764%0.644SS**THydrogen-bonded Turntrans-58.6-35.4-170.2-78-172.8176.5179.60114.6
268K35.2Very low37.8Very low192 Ų192129 Ų12984%0.83563%0.634SS**THydrogen-bonded Turntrans-73.6-25.2174.7-77.8-171174.4-1770113.3E266E266-K268 VanDerWaalsContact C-N 3.33Å; E266-K268 PolarHBondContact O-N 2.96Å
269L38.8Very low39.2Very low106 Ų106128.4 Ų128.456%0.55563%0.626SS**Hα-helixtrans-80.2-20.1-175.6-145.3154.1000112.3E266 K273E266-L269 WeakPolarHBondContact O-CB 3.46Å; E266-L269 PolarHBondContact O-N 3.31Å; L269-K273 HydrophobicContact CD2-CD 4.41Å
270I37.3Very low40.4Very low91 Ų91123.4 Ų123.447%0.46760%0.602SS.*Hα-helixtrans-73.1-31.4179.9-65.4167.8000112.6E266E266-I270 PolarHBondContact O-N 2.89Å
271I36.7Very low41.7Very low118 Ų118122.7 Ų122.761%0.60560%0.596SS**Hα-helixtrans-68.4-49.4-173.5-62.1178.2000111K273 K274I271-K273 VanDerWaalsContact C-N 3.33Å; I271-K273 PolarHBondContact O-N 3.48Å; I271-K274 PolarHBondContact O-N 2.87Å; I271-K274 VanDerWaalsContact O-N 3.17Å
272N43.8Very low43.5Very low114 Ų114121.3 Ų121.361%0.6159%0.585SS**Hα-helixtrans-60.3-42.5179.8-69.214.2000111.9K274 N275 D276N272-K274 PolarHBondContact O-N 2.78Å; N272-K274 VanDerWaalsContact O-N 3.08Å; N272-N275 PolarHBondContact O-N 3.36Å; N272-D276 PolarHBondContact O-N 2.88Å
273K44.5Very low45Very low82 Ų82116 Ų11636%0.35756%0.556SS.*Hα-helixtrans-52.3-34.9177.4-74.7179.3175.2177.20113L269 I271 N275 D276 I277L269-K273 HydrophobicContact CD2-CD 4.41Å; I271-K273 VanDerWaalsContact C-N 3.33Å; I271-K273 PolarHBondContact O-N 3.48Å; K273-N275 VanDerWaalsContact C-N 3.28Å; K273-N275 PolarHBondContact O-N 2.84Å; K273-D276 PolarHBondContact O-N 2.89Å; K273-I277 HydrophobicContact CB-CD1 4.46Å; K273-I277 WeakPolarHBondContact O-CB 3.32Å; K273-I277 WeakPolarHBondContact O-CD1 3.11Å; K273-I277 WeakPolarHBondContact O-CG1 3.46Å; K273-I277 PolarHBondContact O-N 3.46Å
274K40.3Very low46.2Very low145 Ų145112.1 Ų112.163%0.6354%0.535SS*.Hα-helixtrans-65.5-28.4178.7-80.6-172.2174.6179.90113.4I271 N272 K278I271-K274 PolarHBondContact O-N 2.87Å; I271-K274 VanDerWaalsContact O-N 3.17Å; N272-K274 PolarHBondContact O-N 2.78Å; N272-K274 VanDerWaalsContact O-N 3.08Å; K274-K278 WeakPolarHBondContact O-CG 3.33Å; K274-K278 PolarHBondContact O-N 3.49Å
275N46.2Very low47.9Very low100 Ų100108.8 Ų108.854%0.53552%0.515SS..Hα-helixtrans-80.5-43.6175.8-72.1-9.8000111.1N272 K273 I277 K278 F279N272-N275 PolarHBondContact O-N 3.36Å; K273-N275 VanDerWaalsContact C-N 3.28Å; K273-N275 PolarHBondContact O-N 2.84Å; N275-I277 VanDerWaalsContact C-N 3.26Å; N275-I277 PolarHBondContact O-N 2.77Å; N275-K278 WeakPolarHBondContact O-CB 3.45Å; N275-K278 PolarHBondContact O-N 3.33Å; N275-F279 PolarHBondContact O-N 2.85Å
276D48.4Very low49.5Very low99 Ų99103.5 Ų103.553%0.52950%0.495SS..Hα-helixtrans-54.5-44.4174.6-52.7-26.7000111.1N272 K273 K278 F279 C280N272-D276 PolarHBondContact O-N 2.88Å; K273-D276 PolarHBondContact O-N 2.89Å; D276-K278 PolarHBondContact O-N 3.17Å; D276-F279 PolarHBondContact O-N 2.89Å; D276-C280 WeakPolarHBondContact O-CB 3.45Å; D276-C280 PolarHBondContact O-N 3.41Å; D276-C280 PolarHBondContact O-SG 3.41Å
277I49.9Very low51.1Low66 Ų6699.4 Ų99.434%0.33848%0.476SS..Hα-helixtrans-66.5-36.5178.4-65.1160.7000112.1K273 N275 K281 L357K273-I277 HydrophobicContact CB-CD1 4.46Å; K273-I277 WeakPolarHBondContact O-CB 3.32Å; K273-I277 WeakPolarHBondContact O-CD1 3.11Å; K273-I277 WeakPolarHBondContact O-CG1 3.46Å; K273-I277 PolarHBondContact O-N 3.46Å; N275-I277 VanDerWaalsContact C-N 3.26Å; N275-I277 PolarHBondContact O-N 2.77Å; I277-K281 WeakPolarHBondContact O-CB 3.28Å; I277-K281 PolarHBondContact O-N 3.35Å; I277-L357 HydrophobicContact CD1-CD1 3.73Å; I277-L357 HydrophobicContact CD1-CD2 3.55Å; I277-L357 HydrophobicContact CD1-CG 4.31Å; I277-L357 HydrophobicContact CG1-CD1 3.89Å; I277-L357 HydrophobicContact CG1-CD2 4.36Å; I277-L357 HydrophobicContact CG2-CD1 4.11Å
278K48.8Very low52.9Low137 Ų13793.7 Ų93.760%0.59645%0.454SS*.Hα-helixtrans-64.1-47.7174.1-80176.2176.9-179.20110.9K274 N275 D276 K281 Q282K274-K278 WeakPolarHBondContact O-CG 3.33Å; K274-K278 PolarHBondContact O-N 3.49Å; N275-K278 WeakPolarHBondContact O-CB 3.45Å; N275-K278 PolarHBondContact O-N 3.33Å; D276-K278 PolarHBondContact O-N 3.17Å; K278-K281 PolarHBondContact O-N 3Å; K278-Q282 WeakPolarHBondContact O-CG 3.3Å; K278-Q282 PolarHBondContact O-N 3.45Å
279F57.4Low54.7Low116 Ų11689 Ų8951%0.50944%0.437SS..Hα-helixtrans-59.5-50.2177.9178.6-100.3000111.3N275 D276 K281 Q282 L283 I469N275-F279 PolarHBondContact O-N 2.85Å; D276-F279 PolarHBondContact O-N 2.89Å; F279-K281 VanDerWaalsContact C-N 3.32Å; F279-K281 PolarHBondContact O-N 2.86Å; F279-Q282 PolarHBondContact O-N 3.22Å; F279-Q282 VanDerWaalsContact O-N 3.16Å; F279-L283 HydrophobicContact CE1-CD1 3.79Å; F279-L283 HydrophobicContact CZ-CD1 4.03Å; F279-L283 WeakPolarHBondContact O-CB 3.13Å; F279-L283 PolarHBondContact O-N 2.88Å; F279-I469 HydrophobicContact CE1-CD1 4.21Å
280C53.6Low56.4Low40 Ų4085.6 Ų85.627%0.2742%0.418SS..Hα-helixtrans-56.1-45174.8-69.50000111.8D276 Q282 L283 I284D276-C280 WeakPolarHBondContact O-CB 3.45Å; D276-C280 PolarHBondContact O-N 3.41Å; D276-C280 PolarHBondContact O-SG 3.41Å; C280-Q282 PolarHBondContact O-N 2.81Å; C280-L283 PolarHBondContact O-N 2.92Å; C280-I284 WeakPolarHBondContact O-CB 3.49Å; C280-I284 VanDerWaalsContact O-CD1 3.27Å; C280-I284 WeakPolarHBondContact O-CD1 3.49Å; C280-I284 VanDerWaalsContact O-CG1 3.25Å; C280-I284 WeakPolarHBondContact O-CG1 3.37Å; C280-I284 PolarHBondContact O-N 3.26Å
281K55.7Low58.2Low128 Ų12881.2 Ų81.256%0.55740%0.396SS*.Hα-helixtrans-60.8-43.3177.5-172.2-165.5170.8-164.70112I277 K278 F279 I284 Q285I277-K281 WeakPolarHBondContact O-CB 3.28Å; I277-K281 PolarHBondContact O-N 3.35Å; K278-K281 PolarHBondContact O-N 3Å; F279-K281 VanDerWaalsContact C-N 3.32Å; F279-K281 PolarHBondContact O-N 2.86Å; K281-I284 PolarHBondContact O-N 3.27Å; K281-Q285 VanDerWaalsContact O-CG 3.32Å; K281-Q285 WeakPolarHBondContact O-CG 3.46Å; K281-Q285 PolarHBondContact O-N 3.45Å
282Q65.5Low60.1Low127 Ų12779.9 Ų79.959%0.59339%0.389SS*.Hα-helixtrans-63.6-43.8176.9-72.3169.6-5400111.5K278 F279 C280 Q285 L286K278-Q282 WeakPolarHBondContact O-CG 3.3Å; K278-Q282 PolarHBondContact O-N 3.45Å; F279-Q282 PolarHBondContact O-N 3.22Å; F279-Q282 VanDerWaalsContact O-N 3.16Å; C280-Q282 PolarHBondContact O-N 2.81Å; Q282-Q285 PolarHBondContact O-N 3.13Å; Q282-L286 WeakPolarHBondContact O-CB 3.16Å; Q282-L286 PolarHBondContact O-N 3.43Å
283L63.5Low61.5Low22 Ų2276.9 Ų76.912%0.11537%0.372CS..Hα-helixtrans-63.7-42.3178-158.4167000111.3F279 C280 Q285 L286 I287 C466 I469F279-L283 HydrophobicContact CE1-CD1 3.79Å; F279-L283 HydrophobicContact CZ-CD1 4.03Å; F279-L283 WeakPolarHBondContact O-CB 3.13Å; F279-L283 PolarHBondContact O-N 2.88Å; C280-L283 PolarHBondContact O-N 2.92Å; L283-Q285 PolarHBondContact O-N 3.47Å; L283-L286 WeakPolarHBondContact O-CB 3.4Å; L283-L286 PolarHBondContact O-N 3.04Å; L283-I287 HydrophobicContact CD2-CD1 3.52Å; L283-I287 HydrophobicContact CD2-CG1 4.06Å; L283-I287 WeakPolarHBondContact O-CG1 3.34Å; L283-I287 PolarHBondContact O-N 3.09Å; L283-C466 WeakPolarHBondContact CD2-SG 3.49Å; L283-I469 HydrophobicContact CD1-CD1 3.99Å
284I64.2Low62.9Low47 Ų4773 Ų7324%0.24136%0.355CS..Hα-helixtrans-57.2-46.5170.8-74.5155.3000111.5C280 K281 L286 I287 L288 L346 T350C280-I284 WeakPolarHBondContact O-CB 3.49Å; C280-I284 VanDerWaalsContact O-CD1 3.27Å; C280-I284 WeakPolarHBondContact O-CD1 3.49Å; C280-I284 VanDerWaalsContact O-CG1 3.25Å; C280-I284 WeakPolarHBondContact O-CG1 3.37Å; C280-I284 PolarHBondContact O-N 3.26Å; K281-I284 PolarHBondContact O-N 3.27Å; I284-L286 VanDerWaalsContact C-N 3.33Å; I284-L286 PolarHBondContact O-N 3.49Å; I284-I287 PolarHBondContact O-N 2.98Å; I284-L288 HydrophobicContact CG2-CD1 4.26Å; I284-L288 WeakPolarHBondContact O-CG 3.25Å; I284-L288 PolarHBondContact O-N 2.86Å; I284-L346 HydrophobicContact CG1-CD2 4.37Å; I284-T350 HydrophobicContact CB-CG2 4.36Å; I284-T350 HydrophobicContact CD1-CG2 3.65Å; I284-T350 HydrophobicContact CG1-CG2 3.82Å; I284-T350 HydrophobicContact CG2-CG2 3.57Å
285Q67.5Low64.5Low102 Ų10267.3 Ų67.348%0.47733%0.332SS..Hα-helixtrans-65.5-36.2178.7-71.5178.9-91.700112K281 Q282 L283 L289K281-Q285 VanDerWaalsContact O-CG 3.32Å; K281-Q285 WeakPolarHBondContact O-CG 3.46Å; K281-Q285 PolarHBondContact O-N 3.45Å; Q282-Q285 PolarHBondContact O-N 3.13Å; L283-Q285 PolarHBondContact O-N 3.47Å; Q285-L289 WeakPolarHBondContact O-CB 3.48Å; Q285-L289 PolarHBondContact O-N 3.21Å
286L70.6Confident65.8Low74 Ų7466.9 Ų66.939%0.38733%0.328SS..Hα-helixtrans-63.9-48.3175.8-173.472.8000111.9Q282 L283 I284 L289 F290 L462Q282-L286 WeakPolarHBondContact O-CB 3.16Å; Q282-L286 PolarHBondContact O-N 3.43Å; L283-L286 WeakPolarHBondContact O-CB 3.4Å; L283-L286 PolarHBondContact O-N 3.04Å; I284-L286 VanDerWaalsContact C-N 3.33Å; I284-L286 PolarHBondContact O-N 3.49Å; L286-L289 PolarHBondContact O-N 3.12Å; L286-F290 HydrophobicContact CD1-CD2 4.3Å; L286-F290 HydrophobicContact CD1-CE2 3.62Å; L286-F290 HydrophobicContact CD1-CZ 4.01Å; L286-F290 HydrophobicContact CD2-CE2 4.05Å; L286-F290 HydrophobicContact CG-CD2 3.96Å; L286-F290 HydrophobicContact CG-CE2 3.55Å; L286-F290 HydrophobicContact CG-CZ 4.43Å; L286-F290 WeakPolarHBondContact O-CD2 3.35Å; L286-F290 PolarHBondContact O-N 2.8Å; L286-L462 HydrophobicContact CD2-CD1 3.94Å; L286-L462 HydrophobicContact CD2-CD2 4.05Å; L286-L462 HydrophobicContact CG-CD1 4.33Å
287I72Confident67.1Low0 Ų063 Ų630%031%0.307CS..Hα-helixtrans-67.4-38.3178.2-57.5172.6000110.7L283 I284 L289 F290 S291 L346 I459 L462 C466L283-I287 HydrophobicContact CD2-CD1 3.52Å; L283-I287 HydrophobicContact CD2-CG1 4.06Å; L283-I287 WeakPolarHBondContact O-CG1 3.34Å; L283-I287 PolarHBondContact O-N 3.09Å; I284-I287 PolarHBondContact O-N 2.98Å; I287-L289 VanDerWaalsContact C-N 3.33Å; I287-L289 PolarHBondContact O-N 3.27Å; I287-F290 PolarHBondContact O-N 2.71Å; I287-S291 VanDerWaalsContact O-CB 3.3Å; I287-S291 WeakPolarHBondContact O-CB 3.49Å; I287-S291 PolarHBondContact O-N 3.45Å; I287-S291 PolarHBondContact O-OG 3.12Å; I287-L346 HydrophobicContact CB-CD1 3.88Å; I287-L346 HydrophobicContact CB-CD2 4.34Å; I287-L346 HydrophobicContact CD1-CD2 4.5Å; I287-L346 HydrophobicContact CG2-CD1 3.61Å; I287-L346 HydrophobicContact CG2-CD2 4.46Å; I287-L346 HydrophobicContact CG2-CG 4.27Å; I287-I459 HydrophobicContact CG2-CG2 4.43Å; I287-L462 HydrophobicContact CD1-CB 3.86Å; I287-L462 HydrophobicContact CG1-CB 3.76Å; I287-L462 HydrophobicContact CG1-CD1 4.13Å; I287-L462 HydrophobicContact CG1-CG 4.47Å; I287-C466 VanDerWaalsContact CD1-SG 3.56Å
288L71.2Confident68.2Low61 Ų6159.9 Ų59.932%0.31929%0.291SS..Hα-helixtrans-57-46.7172.2-76.5173.9000111.5I284 S291 I292 I343 L346I284-L288 HydrophobicContact CG2-CD1 4.26Å; I284-L288 WeakPolarHBondContact O-CG 3.25Å; I284-L288 PolarHBondContact O-N 2.86Å; L288-S291 PolarHBondContact O-N 2.92Å; L288-I292 VanDerWaalsContact O-CG1 3.32Å; L288-I292 WeakPolarHBondContact O-CG1 3.3Å; L288-I292 PolarHBondContact O-N 3.39Å; L288-I343 HydrophobicContact CD2-CG1 4.26Å; L288-L346 HydrophobicContact CD2-CB 4.48Å; L288-L346 HydrophobicContact CD2-CD1 3.71Å; L288-L346 HydrophobicContact CG-CD1 3.86Å
289L73.5Confident69.4Low94 Ų9456.8 Ų56.849%0.49228%0.282SS..Hα-helixtrans-62.3-48.1179.7-179.5146.1000111.8Q285 L286 I287 S291 I292 I293Q285-L289 WeakPolarHBondContact O-CB 3.48Å; Q285-L289 PolarHBondContact O-N 3.21Å; L286-L289 PolarHBondContact O-N 3.12Å; I287-L289 VanDerWaalsContact C-N 3.33Å; I287-L289 PolarHBondContact O-N 3.27Å; L289-S291 VanDerWaalsContact C-N 3.32Å; L289-S291 PolarHBondContact O-N 3.1Å; L289-I292 PolarHBondContact O-N 3.36Å; L289-I293 HydrophobicContact CD2-CD1 3.62Å; L289-I293 HydrophobicContact CG-CD1 4.42Å; L289-I293 WeakPolarHBondContact O-CG1 3.36Å; L289-I293 PolarHBondContact O-N 2.86Å
290F74Confident70.1Confident34 Ų3454.6 Ų54.615%0.14928%0.275CS..Hα-helixtrans-64.2-35.6175.5-69.8-49.4000112.7L286 I287 I292 I293 L294 F455 I459 L462L286-F290 HydrophobicContact CD1-CD2 4.3Å; L286-F290 HydrophobicContact CD1-CE2 3.62Å; L286-F290 HydrophobicContact CD1-CZ 4.01Å; L286-F290 HydrophobicContact CD2-CE2 4.05Å; L286-F290 HydrophobicContact CG-CD2 3.96Å; L286-F290 HydrophobicContact CG-CE2 3.55Å; L286-F290 HydrophobicContact CG-CZ 4.43Å; L286-F290 WeakPolarHBondContact O-CD2 3.35Å; L286-F290 PolarHBondContact O-N 2.8Å; I287-F290 PolarHBondContact O-N 2.71Å; F290-I292 VanDerWaalsContact C-N 3.34Å; F290-I292 PolarHBondContact O-N 3.35Å; F290-I293 HydrophobicContact CD1-CD1 4.37Å; F290-I293 PolarHBondContact O-N 3.47Å; F290-L294 PolarHBondContact O-N 2.81Å; F290-F455 AromaticContact CD1-CD1 3.68Å; F290-F455 HydrophobicContact CD1-CD1 3.68Å; F290-F455 AromaticContact CD1-CE1 3.9Å; F290-F455 HydrophobicContact CD1-CE1 3.9Å; F290-F455 AromaticContact CE1-CD1 3.87Å; F290-F455 HydrophobicContact CE1-CD1 3.87Å; F290-F455 AromaticContact CE1-CE1 3.72Å; F290-F455 HydrophobicContact CE1-CE1 3.72Å; F290-I459 HydrophobicContact CB-CD1 3.69Å; F290-I459 HydrophobicContact CB-CG1 3.6Å; F290-L462 HydrophobicContact CD2-CD1 3.65Å; F290-L462 HydrophobicContact CE2-CD1 3.69Å
291S75.4Confident71Confident0 Ų052.8 Ų52.80%026%0.262CS..Hα-helixtrans-66-37.7178-54.90000112I287 L288 L289 L294 I295 S342I287-S291 VanDerWaalsContact O-CB 3.3Å; I287-S291 WeakPolarHBondContact O-CB 3.49Å; I287-S291 PolarHBondContact O-N 3.45Å; I287-S291 PolarHBondContact O-OG 3.12Å; L288-S291 PolarHBondContact O-N 2.92Å; L289-S291 VanDerWaalsContact C-N 3.32Å; L289-S291 PolarHBondContact O-N 3.1Å; S291-L294 PolarHBondContact O-N 3.11Å; S291-I295 WeakPolarHBondContact O-CG1 3.37Å; S291-I295 PolarHBondContact O-N 2.96Å; S291-I295 VanDerWaalsContact O-N 3.14Å; S291-S342 VanDerWaalsContact CB-OG 3.27Å; S291-S342 WeakPolarHBondContact CB-OG 3.29Å; S291-S342 WeakPolarHBondContact OG-CB 3.19Å; S291-S342 PolarHBondContact OG-OG 2.97Å
292I76.3Confident71.8Confident90 Ų9047.7 Ų47.746%0.46224%0.241SC..Hα-helixtrans-66.6-42.2172.8-68.3163.2000110.4L288 L289 F290 L294 I295 I296 I343L288-I292 VanDerWaalsContact O-CG1 3.32Å; L288-I292 WeakPolarHBondContact O-CG1 3.3Å; L288-I292 PolarHBondContact O-N 3.39Å; L289-I292 PolarHBondContact O-N 3.36Å; F290-I292 VanDerWaalsContact C-N 3.34Å; F290-I292 PolarHBondContact O-N 3.35Å; I292-L294 VanDerWaalsContact C-N 3.34Å; I292-L294 PolarHBondContact O-N 2.93Å; I292-I295 PolarHBondContact O-N 3.1Å; I292-I296 HydrophobicContact CG2-CD1 3.9Å; I292-I296 WeakPolarHBondContact O-CG1 3.37Å; I292-I296 PolarHBondContact O-N 2.98Å; I292-I343 HydrophobicContact CG1-CD1 4.37Å
293I74.2Confident72Confident51 Ų5145.5 Ų45.526%0.26223%0.232SC..Hα-helixtrans-59.1-43.3174.4-71.1171.5000111.2L289 F290 I296 L297 F455L289-I293 HydrophobicContact CD2-CD1 3.62Å; L289-I293 HydrophobicContact CG-CD1 4.42Å; L289-I293 WeakPolarHBondContact O-CG1 3.36Å; L289-I293 PolarHBondContact O-N 2.86Å; F290-I293 HydrophobicContact CD1-CD1 4.37Å; F290-I293 PolarHBondContact O-N 3.47Å; I293-I296 PolarHBondContact O-N 3.47Å; I293-L297 HydrophobicContact CG2-CD1 3.69Å; I293-L297 HydrophobicContact CG2-CG 4.17Å; I293-L297 WeakPolarHBondContact O-CB 3.18Å; I293-L297 WeakPolarHBondContact O-CG 3.19Å; I293-L297 PolarHBondContact O-N 3.19Å; I293-F455 HydrophobicContact CG2-CD2 3.91Å; I293-F455 HydrophobicContact CG2-CE2 3.98Å; I293-F455 HydrophobicContact CG2-CG 4.28Å; I293-F455 HydrophobicContact CG2-CZ 4.39Å
294L72.9Confident72.3Confident0 Ų045.5 Ų45.50%023%0.232CC..Hα-helixtrans-61.1-44.3174.7-75-165.3000112.8F290 S291 I292 I296 L297 G298 V335 I338 S452 F455 I459F290-L294 PolarHBondContact O-N 2.81Å; S291-L294 PolarHBondContact O-N 3.11Å; I292-L294 VanDerWaalsContact C-N 3.34Å; I292-L294 PolarHBondContact O-N 2.93Å; L294-I296 VanDerWaalsContact C-N 3.27Å; L294-I296 PolarHBondContact O-N 3.43Å; L294-L297 PolarHBondContact O-N 3.03Å; L294-G298 PolarHBondContact O-N 3.18Å; L294-V335 HydrophobicContact CB-CG1 4.08Å; L294-V335 HydrophobicContact CD2-CG1 4.21Å; L294-V335 VanDerWaalsContact O-CG1 3.27Å; L294-V335 WeakPolarHBondContact O-CG1 3.39Å; L294-I338 HydrophobicContact CD1-CG2 4.02Å; L294-S452 WeakPolarHBondContact CD2-O 3.16Å; L294-F455 HydrophobicContact CD2-CB 3.53Å; L294-F455 HydrophobicContact CG-CB 4.38Å; L294-I459 HydrophobicContact CD1-CD1 3.58Å; L294-I459 HydrophobicContact CG-CD1 3.87Å
295I74.6Confident72.3Confident26 Ų2643.7 Ų43.713%0.13322%0.223CC..Hα-helixtrans-61.1-40.1178-67.6166.3000110.5S291 I292 N299 F340 I343S291-I295 WeakPolarHBondContact O-CG1 3.37Å; S291-I295 PolarHBondContact O-N 2.96Å; S291-I295 VanDerWaalsContact O-N 3.14Å; I292-I295 PolarHBondContact O-N 3.1Å; I295-N299 WeakPolarHBondContact O-CB 3.39Å; I295-N299 PolarHBondContact O-N 3Å; I295-N299 VanDerWaalsContact O-N 3.12Å; I295-N299 PolarHBondContact O-ND2 3.4Å; I295-N299 VanDerWaalsContact O-ND2 3.08Å; I295-F340 HydrophobicContact CD1-CD1 4.13Å; I295-F340 HydrophobicContact CD1-CD2 4.26Å; I295-F340 HydrophobicContact CD1-CE1 4.13Å; I295-F340 HydrophobicContact CD1-CE2 4.27Å; I295-F340 HydrophobicContact CD1-CG 4.19Å; I295-F340 HydrophobicContact CD1-CZ 4.2Å; I295-F340 HydrophobicContact CG1-CD2 4.46Å; I295-F340 HydrophobicContact CG1-CE2 4.47Å; I295-I343 HydrophobicContact CD1-CD1 3.71Å
296I73.6Confident72.2Confident91 Ų9142.3 Ų42.347%0.46722%0.218SC..Hα-helixtrans-65.5-47.7175.2-65.7166.1000111.1I292 I293 L294 N299 L300I292-I296 HydrophobicContact CG2-CD1 3.9Å; I292-I296 WeakPolarHBondContact O-CG1 3.37Å; I292-I296 PolarHBondContact O-N 2.98Å; I293-I296 PolarHBondContact O-N 3.47Å; L294-I296 VanDerWaalsContact C-N 3.27Å; L294-I296 PolarHBondContact O-N 3.43Å; I296-N299 PolarHBondContact O-N 3.46Å; I296-L300 HydrophobicContact CG2-CD1 4Å; I296-L300 WeakPolarHBondContact O-CG 3.48Å; I296-L300 PolarHBondContact O-N 2.9Å
297L74.6Confident71.9Confident17 Ų1744.4 Ų44.49%0.08923%0.225CC..Hα-helixtrans-64.9-42.9-179.5-72.3173.9000112.7I293 L294 L300 I301 L448 F455I293-L297 HydrophobicContact CG2-CD1 3.69Å; I293-L297 HydrophobicContact CG2-CG 4.17Å; I293-L297 WeakPolarHBondContact O-CB 3.18Å; I293-L297 WeakPolarHBondContact O-CG 3.19Å; I293-L297 PolarHBondContact O-N 3.19Å; L294-L297 PolarHBondContact O-N 3.03Å; L297-L300 PolarHBondContact O-N 3.13Å; L297-I301 VanDerWaalsContact O-CG1 3.3Å; L297-I301 WeakPolarHBondContact O-CG1 3.32Å; L297-I301 PolarHBondContact O-N 2.92Å; L297-L448 HydrophobicContact CD2-CD2 3.51Å; L297-F455 HydrophobicContact CD1-CD2 3.55Å; L297-F455 HydrophobicContact CD1-CE2 4.03Å
298G73.6Confident71.4Confident0 Ų044.6 Ų44.60%023%0.225CC..Hα-helixtrans-64.7-38.4176.400000112.5L294 I301 I302L294-G298 PolarHBondContact O-N 3.18Å; G298-I301 PolarHBondContact O-N 3.4Å; G298-I302 WeakPolarHBondContact O-CG1 3.48Å; G298-I302 PolarHBondContact O-N 3.42Å
299N73Confident71Confident73 Ų7345.8 Ų45.839%0.3923%0.231SC..Hα-helixtrans-63-43.6171-76.9-29.5000111.6I295 I296 I302 I303 I336I295-N299 WeakPolarHBondContact O-CB 3.39Å; I295-N299 PolarHBondContact O-N 3Å; I295-N299 VanDerWaalsContact O-N 3.12Å; I295-N299 PolarHBondContact O-ND2 3.4Å; I295-N299 VanDerWaalsContact O-ND2 3.08Å; I296-N299 PolarHBondContact O-N 3.46Å; N299-I302 PolarHBondContact O-N 3.21Å; N299-I303 WeakPolarHBondContact O-CB 3.24Å; N299-I303 WeakPolarHBondContact O-CD1 3.46Å; N299-I303 VanDerWaalsContact O-CG1 3.25Å; N299-I303 WeakPolarHBondContact O-CG1 3.47Å; N299-I303 PolarHBondContact O-N 2.96Å; N299-I336 WeakPolarHBondContact OD1-CD1 3.2Å
300L73.7Confident70.2Confident69 Ų6948.4 Ų48.436%0.36124%0.239SC..Hα-helixtrans-63.3-39.7176.2-73.3169.6000112.4I296 L297 I303 I304I296-L300 HydrophobicContact CG2-CD1 4Å; I296-L300 WeakPolarHBondContact O-CG 3.48Å; I296-L300 PolarHBondContact O-N 2.9Å; L297-L300 PolarHBondContact O-N 3.13Å; L300-I303 PolarHBondContact O-N 3.47Å; L300-I304 WeakPolarHBondContact O-CB 3.27Å; L300-I304 WeakPolarHBondContact O-CG1 3.5Å; L300-I304 PolarHBondContact O-N 2.8Å
301I72.8Confident69.2Low2 Ų251.2 Ų51.21%0.0125%0.253CS..Hα-helixtrans-60.2-47173.7-71161.6000110.1L297 G298 I303 I304 N305 L448L297-I301 VanDerWaalsContact O-CG1 3.3Å; L297-I301 WeakPolarHBondContact O-CG1 3.32Å; L297-I301 PolarHBondContact O-N 2.92Å; G298-I301 PolarHBondContact O-N 3.4Å; I301-I303 PolarHBondContact O-N 3.4Å; I301-I304 PolarHBondContact O-N 2.88Å; I301-N305 PolarHBondContact O-N 3.47Å; I301-N305 PolarHBondContact O-ND2 2.8Å; I301-L448 HydrophobicContact CG1-CB 4.19Å
302I71.9Confident68Low22 Ų2253.1 Ų53.111%0.11326%0.263CS..Hα-helixtrans-60.1-46.6175.8-70.5171.9000111.3G298 N299 I304 N305 I306 F329 L333 I336G298-I302 WeakPolarHBondContact O-CG1 3.48Å; G298-I302 PolarHBondContact O-N 3.42Å; N299-I302 PolarHBondContact O-N 3.21Å; I302-I304 PolarHBondContact O-N 3.27Å; I302-N305 PolarHBondContact O-N 3.38Å; I302-I306 HydrophobicContact CG2-CD1 3.76Å; I302-I306 VanDerWaalsContact O-CG1 3.3Å; I302-I306 WeakPolarHBondContact O-CG1 3.48Å; I302-I306 PolarHBondContact O-N 3.21Å; I302-F329 HydrophobicContact CG1-CD2 4.28Å; I302-F329 HydrophobicContact CG1-CE2 4.4Å; I302-F329 HydrophobicContact CG2-CD2 4.19Å; I302-F329 HydrophobicContact CG2-CE2 3.87Å; I302-L333 HydrophobicContact CD1-CD2 3.72Å; I302-L333 HydrophobicContact CD1-CG 3.97Å; I302-I336 HydrophobicContact CD1-CD1 3.58Å
303I69.6Low66.5Low80 Ų8054.4 Ų54.441%0.4127%0.27SS..Hα-helixtrans-61.4-43.4179.7-71.5164.3000111.3N299 L300 I301 I306 F307N299-I303 WeakPolarHBondContact O-CB 3.24Å; N299-I303 WeakPolarHBondContact O-CD1 3.46Å; N299-I303 VanDerWaalsContact O-CG1 3.25Å; N299-I303 WeakPolarHBondContact O-CG1 3.47Å; N299-I303 PolarHBondContact O-N 2.96Å; L300-I303 PolarHBondContact O-N 3.47Å; I301-I303 PolarHBondContact O-N 3.4Å; I303-I306 PolarHBondContact O-N 2.86Å; I303-F307 HydrophobicContact CG2-CD2 3.68Å; I303-F307 HydrophobicContact CG2-CE2 3.52Å; I303-F307 VanDerWaalsContact O-CD2 3.29Å; I303-F307 WeakPolarHBondContact O-CD2 3.22Å; I303-F307 PolarHBondContact O-N 3.26Å
304I68.6Low65Low23 Ų2359 Ų5912%0.11830%0.295CS..Hα-helixtrans-66.4-43.8177.2-71.6168.2000111.3L300 I301 I302 I306 F307 E308 L441 L448L300-I304 WeakPolarHBondContact O-CB 3.27Å; L300-I304 WeakPolarHBondContact O-CG1 3.5Å; L300-I304 PolarHBondContact O-N 2.8Å; I301-I304 PolarHBondContact O-N 2.88Å; I302-I304 PolarHBondContact O-N 3.27Å; I304-I306 PolarHBondContact O-N 3.5Å; I304-F307 PolarHBondContact O-N 2.88Å; I304-F307 VanDerWaalsContact O-N 3.15Å; I304-E308 HydrophobicContact CG2-CG 4.48Å; I304-E308 PolarHBondContact O-N 3.41Å; I304-L441 HydrophobicContact CG2-CG 4.3Å; I304-L448 HydrophobicContact CD1-CD1 3.27Å
305N65Low63.5Low8 Ų863.5 Ų63.54%0.04331%0.313CS..Hα-helixtrans-58.8-33.7174.7-67.3-41.8000112I301 I302 L309 N328 F329I301-N305 PolarHBondContact O-N 3.47Å; I301-N305 PolarHBondContact O-ND2 2.8Å; I302-N305 PolarHBondContact O-N 3.38Å; N305-L309 WeakPolarHBondContact O-CB 3.39Å; N305-L309 PolarHBondContact O-N 3.35Å; N305-L309 VanDerWaalsContact O-N 3.09Å; N305-N328 VanDerWaalsContact ND2-C 3.34Å; N305-N328 PolarHBondContact ND2-O 3.43Å; N305-N328 VanDerWaalsContact OD1-CB 3.3Å; N305-N328 WeakPolarHBondContact OD1-CB 3.12Å; N305-F329 PolarHBondContact ND2-N 3.37Å
306I66.3Low61.9Low74 Ų7474 Ų7438%0.37935%0.353SS..Hα-helixtrans-71.7-44.1175.4-69.5165.7000111.1I302 I303 I304 L309 F310I302-I306 HydrophobicContact CG2-CD1 3.76Å; I302-I306 VanDerWaalsContact O-CG1 3.3Å; I302-I306 WeakPolarHBondContact O-CG1 3.48Å; I302-I306 PolarHBondContact O-N 3.21Å; I303-I306 PolarHBondContact O-N 2.86Å; I304-I306 PolarHBondContact O-N 3.5Å; I306-L309 WeakPolarHBondContact O-CA 3.23Å; I306-L309 WeakPolarHBondContact O-CB 3.47Å; I306-L309 PolarHBondContact O-N 3.04Å; I306-F310 HydrophobicContact CG2-CD2 3.86Å; I306-F310 HydrophobicContact CG2-CE2 3.69Å; I306-F310 VanDerWaalsContact O-CD2 3.32Å; I306-F310 WeakPolarHBondContact O-CD2 3.47Å; I306-F310 PolarHBondContact O-N 3.33Å
307F64.2Low60.2Low118 Ų11874 Ų7452%0.51835%0.353SS..Hα-helixtrans-64.5-40.3174.4-79.1-63.1000112.6I303 I304 L309 F310 Q311 L441I303-F307 HydrophobicContact CG2-CD2 3.68Å; I303-F307 HydrophobicContact CG2-CE2 3.52Å; I303-F307 VanDerWaalsContact O-CD2 3.29Å; I303-F307 WeakPolarHBondContact O-CD2 3.22Å; I303-F307 PolarHBondContact O-N 3.26Å; I304-F307 PolarHBondContact O-N 2.88Å; I304-F307 VanDerWaalsContact O-N 3.15Å; F307-L309 PolarHBondContact O-N 3.25Å; F307-F310 PolarHBondContact O-N 3.03Å; F307-Q311 PolarHBondContact O-N 3.37Å; F307-L441 HydrophobicContact CB-CD2 3.92Å
308E61.5Low58.9Low4 Ų478.5 Ų78.52%0.01938%0.377CS..Hα-helixtrans-58.4-33.1169.4-80-167.6-164.700112I304 I312 K325 L441I304-E308 HydrophobicContact CG2-CG 4.48Å; I304-E308 PolarHBondContact O-N 3.41Å; E308-I312 HydrophobicContact CB-CD1 4.35Å; E308-I312 WeakPolarHBondContact O-CB 2.92Å; E308-I312 VanDerWaalsContact O-CG1 3.31Å; E308-I312 WeakPolarHBondContact O-CG1 3.5Å; E308-I312 PolarHBondContact O-N 2.85Å; E308-K325 PolarHBondContact O-NZ 2.89Å; E308-K325 WeakPolarHBondContact OE2-CE 3.35Å; E308-L441 HydrophobicContact CG-CD2 4Å
309L62.5Low57.7Low85 Ų8583.9 Ų83.945%0.44541%0.406SS..Hα-helixtrans-73.1-42.6178.4-163.3153.3000110.9N305 I306 F307 N313N305-L309 WeakPolarHBondContact O-CB 3.39Å; N305-L309 PolarHBondContact O-N 3.35Å; N305-L309 VanDerWaalsContact O-N 3.09Å; I306-L309 WeakPolarHBondContact O-CA 3.23Å; I306-L309 WeakPolarHBondContact O-CB 3.47Å; I306-L309 PolarHBondContact O-N 3.04Å; F307-L309 PolarHBondContact O-N 3.25Å; L309-N313 PolarHBondContact O-N 2.92Å; L309-N313 PolarHBondContact O-OD1 2.71Å
310F55.8Low56.4Low150 Ų15087.1 Ų87.166%0.65842%0.416SS*.Hα-helixtrans-64.6-46.5174.3-80.4-69.4000113.2I306 F307I306-F310 HydrophobicContact CG2-CD2 3.86Å; I306-F310 HydrophobicContact CG2-CE2 3.69Å; I306-F310 VanDerWaalsContact O-CD2 3.32Å; I306-F310 WeakPolarHBondContact O-CD2 3.47Å; I306-F310 PolarHBondContact O-N 3.33Å; F307-F310 PolarHBondContact O-N 3.03Å
311Q53.1Low55.4Low93 Ų9385.3 Ų85.344%0.43541%0.407SS..Hα-helixtrans-69.2-40.5-178.2-72.8-175.9-18.800113.1F307F307-Q311 PolarHBondContact O-N 3.37Å
312I50.1Low54.5Low40 Ų4091.4 Ų91.421%0.20543%0.433CS..Hα-helixtrans-88-7.8-170.8-60.1170.1000112.4E308 N314 Y315E308-I312 HydrophobicContact CB-CD1 4.35Å; E308-I312 WeakPolarHBondContact O-CB 2.92Å; E308-I312 VanDerWaalsContact O-CG1 3.31Å; E308-I312 WeakPolarHBondContact O-CG1 3.5Å; E308-I312 PolarHBondContact O-N 2.85Å; I312-N314 PolarHBondContact O-N 3Å; I312-Y315 PolarHBondContact O-N 3.33Å
313N45.7Very low53.6Low117 Ų11795.6 Ų95.663%0.62646%0.455SS*.THydrogen-bonded Turntrans-58.1-19.2176.3-94.8-5.2000114.3L309 Y315L309-N313 PolarHBondContact O-N 2.92Å; L309-N313 PolarHBondContact O-OD1 2.71Å; N313-Y315 VanDerWaalsContact C-N 3.34Å
314N42.1Very low53Low147 Ų14792.5 Ų92.579%0.78644%0.439SS*.THydrogen-bonded Turntrans-79.5-8.9173.4-72.3-7.3000114.3I312I312-N314 PolarHBondContact O-N 3Å
315Y42.1Very low52.6Low95 Ų9592.8 Ų92.837%0.37344%0.439SS..  trans-115.4126.9-175.7-77.8-76.5000113.2I312 N313 L317 L431 F435I312-Y315 PolarHBondContact O-N 3.33Å; N313-Y315 VanDerWaalsContact C-N 3.34Å; Y315-L317 PolarHBondContact O-N 3.37Å; Y315-L431 WeakPolarHBondContact OH-CD2 3.35Å; Y315-F435 HydrophobicContact CD1-CZ 4.04Å; Y315-F435 AromaticContact CE1-CE2 3.95Å; Y315-F435 HydrophobicContact CE1-CE2 3.95Å; Y315-F435 AromaticContact CE1-CZ 3.56Å; Y315-F435 HydrophobicContact CE1-CZ 3.56Å; Y315-F435 HydrophobicContact CE2-CE2 4.37Å; Y315-F435 HydrophobicContact CE2-CZ 4.1Å; Y315-F435 AromaticContact CZ-CE2 3.68Å; Y315-F435 AromaticContact CZ-CZ 3.59Å; Y315-F435 WeakPolarHBondContact OH-CE2 3.44Å
316Y40Very low52.6Low246 Ų24697 Ų9797%0.96546%0.46SS*.  trans-73.427.7-176.9-129-87.5000114.4L318Y316-L318 PolarHBondContact O-N 2.89Å; Y316-L318 VanDerWaalsContact O-N 3.16Å
317L39Very low52.3Low91 Ų9195.9 Ų95.948%0.47645%0.454SS..  trans-89.192.1-160.1-137.6166.2000112.2Y315 L321Y315-L317 PolarHBondContact O-N 3.37Å; L317-L321 HydrophobicContact CB-CD1 4.38Å; L317-L321 HydrophobicContact CD2-CD1 4.16Å
318L46.6Very low52.3Low112 Ų11290.2 Ų90.259%0.58643%0.43SS*.  trans44.1129.9164.6-108.173.5000119.7Y316 K320 L321Y316-L318 PolarHBondContact O-N 2.89Å; Y316-L318 VanDerWaalsContact O-N 3.16Å; L318-K320 HydrophobicContact CD2-CD 4.28Å; L318-K320 HydrophobicContact CD2-CG 4.41Å; L318-K320 PolarHBondContact O-N 3.48Å; L318-L321 PolarHBondContact O-N 3.43Å
319N47.9Very low52.5Low113 Ų11394 Ų9460%0.60445%0.446SS*.Hα-helixtrans-55-16.7173.8-70.9-31.8000115.3L321 K322 L323N319-L321 VanDerWaalsContact C-N 3.3Å; N319-L321 PolarHBondContact O-N 3.48Å; N319-K322 PolarHBondContact O-N 3.42Å; N319-K322 WeakPolarHBondContact OD1-CD 3.35Å; N319-K322 PolarHBondContact OD1-NZ 2.87Å; N319-L323 PolarHBondContact O-N 3.27Å
320K47.2Very low52.8Low140 Ų14095.8 Ų95.861%0.60945%0.451SS*.Hα-helixtrans-59.2-37.5171.3-68.2-173.1179-179.90112.4L318 L323 Y324L318-K320 HydrophobicContact CD2-CD 4.28Å; L318-K320 HydrophobicContact CD2-CG 4.41Å; L318-K320 PolarHBondContact O-N 3.48Å; K320-L323 PolarHBondContact O-N 3.33Å; K320-Y324 PolarHBondContact O-N 3.37Å
321L50.9Low53.2Low31 Ų3188.6 Ų88.616%0.16242%0.419CS..Hα-helixtrans-70.7-30.7176.5-77.9172.7000112.7L317 L318 N319 Y324 K325 L409L317-L321 HydrophobicContact CB-CD1 4.38Å; L317-L321 HydrophobicContact CD2-CD1 4.16Å; L318-L321 PolarHBondContact O-N 3.43Å; N319-L321 VanDerWaalsContact C-N 3.3Å; N319-L321 PolarHBondContact O-N 3.48Å; L321-Y324 PolarHBondContact O-N 3.07Å; L321-K325 WeakPolarHBondContact O-CG 3.36Å; L321-K325 PolarHBondContact O-N 3.24Å; L321-L409 HydrophobicContact CD2-CD1 3.92Å; L321-L409 HydrophobicContact CD2-CD2 4.04Å
322K54Low53.9Low131 Ų13184.2 Ų84.257%0.5740%0.399SS*.Hα-helixtrans-63.6-42.3174.8-65.7-179.5-176.4162.50111.6N319 K325 I326N319-K322 PolarHBondContact O-N 3.42Å; N319-K322 WeakPolarHBondContact OD1-CD 3.35Å; N319-K322 PolarHBondContact OD1-NZ 2.87Å; K322-K325 PolarHBondContact O-N 2.84Å; K322-I326 WeakPolarHBondContact O-CG1 3.33Å; K322-I326 PolarHBondContact O-N 3.23Å; K322-I326 VanDerWaalsContact O-N 3.11Å
323L53.5Low55Low109 Ų10985.9 Ų85.957%0.57141%0.407SS*.Hα-helixtrans-59.4-51.8173.8-100.5164.8000111N319 K320 K325 I326 I327N319-L323 PolarHBondContact O-N 3.27Å; K320-L323 PolarHBondContact O-N 3.33Å; L323-K325 VanDerWaalsContact C-N 3.34Å; L323-K325 PolarHBondContact O-N 2.87Å; L323-I326 PolarHBondContact O-N 2.86Å; L323-I327 HydrophobicContact CB-CD1 4.42Å; L323-I327 HydrophobicContact CD2-CD1 3.93Å; L323-I327 WeakPolarHBondContact O-CB 3.46Å; L323-I327 WeakPolarHBondContact O-CD1 3.2Å; L323-I327 WeakPolarHBondContact O-CG1 3.49Å; L323-I327 PolarHBondContact O-N 3.36Å
324Y56.5Low56.1Low16 Ų1683.2 Ų83.26%0.06339%0.393CS..Hα-helixtrans-53.8-45.2176.9174.7-103.7000113.1K320 L321 I327 N328 N402 N406 F442K320-Y324 PolarHBondContact O-N 3.37Å; L321-Y324 PolarHBondContact O-N 3.07Å; Y324-I327 PolarHBondContact O-N 3.49Å; Y324-N328 WeakPolarHBondContact CE1-ND2 3.47Å; Y324-N328 PolarHBondContact O-N 2.93Å; Y324-N328 PolarHBondContact OH-ND2 3.28Å; Y324-N402 WeakPolarHBondContact CD2-OD1 3.44Å; Y324-N402 VanDerWaalsContact CE2-OD1 3.31Å; Y324-N402 WeakPolarHBondContact CE2-OD1 3.39Å; Y324-N406 WeakPolarHBondContact CE2-OD1 3.42Å; Y324-F442 HydrophobicContact CD1-CE2 4.44Å; Y324-F442 AromaticContact CE1-CD2 3.95Å; Y324-F442 HydrophobicContact CE1-CD2 3.95Å; Y324-F442 AromaticContact CE1-CE2 3.54Å; Y324-F442 HydrophobicContact CE1-CE2 3.54Å; Y324-F442 HydrophobicContact CE2-CE2 4.41Å; Y324-F442 AromaticContact CZ-CE2 3.5Å; Y324-F442 WeakPolarHBondContact OH-CE2 3.39Å
325K61.8Low57.4Low29 Ų2976.2 Ų76.213%0.12636%0.355CS..Hα-helixtrans-64.7-42.9179.1-72.7-177.8179.1-170.60113.3E308 L321 K322 L323 I327 F329E308-K325 PolarHBondContact O-NZ 2.89Å; E308-K325 WeakPolarHBondContact OE2-CE 3.35Å; L321-K325 WeakPolarHBondContact O-CG 3.36Å; L321-K325 PolarHBondContact O-N 3.24Å; K322-K325 PolarHBondContact O-N 2.84Å; L323-K325 VanDerWaalsContact C-N 3.34Å; L323-K325 PolarHBondContact O-N 2.87Å; K325-I327 VanDerWaalsContact C-N 3.33Å; K325-F329 WeakPolarHBondContact O-CB 3.28Å; K325-F329 PolarHBondContact O-N 3.2Å
326I63.1Low58.7Low95 Ų9572.7 Ų72.749%0.48734%0.343SS..Hα-helixtrans-62.7-44.3174.9-67.3165.5000110.2K322 L323 F329 F330K322-I326 WeakPolarHBondContact O-CG1 3.33Å; K322-I326 PolarHBondContact O-N 3.23Å; K322-I326 VanDerWaalsContact O-N 3.11Å; L323-I326 PolarHBondContact O-N 2.86Å; I326-F329 PolarHBondContact O-N 3.5Å; I326-F330 HydrophobicContact CG2-CD2 3.8Å; I326-F330 HydrophobicContact CG2-CE2 3.66Å; I326-F330 VanDerWaalsContact O-CD2 3.27Å; I326-F330 WeakPolarHBondContact O-CD2 3.27Å; I326-F330 PolarHBondContact O-N 3.29Å
327I61Low60.2Low51 Ų5166.1 Ų66.126%0.26232%0.319SS..Hα-helixtrans-61.4-48.4179.9-77.2172.2000110.6L323 Y324 K325 F329 F330 N331 Y398L323-I327 HydrophobicContact CB-CD1 4.42Å; L323-I327 HydrophobicContact CD2-CD1 3.93Å; L323-I327 WeakPolarHBondContact O-CB 3.46Å; L323-I327 WeakPolarHBondContact O-CD1 3.2Å; L323-I327 WeakPolarHBondContact O-CG1 3.49Å; L323-I327 PolarHBondContact O-N 3.36Å; Y324-I327 PolarHBondContact O-N 3.49Å; K325-I327 VanDerWaalsContact C-N 3.33Å; I327-F329 PolarHBondContact O-N 2.93Å; I327-F330 PolarHBondContact O-N 3.03Å; I327-N331 PolarHBondContact O-N 3.17Å; I327-Y398 HydrophobicContact CB-CE2 4.31Å; I327-Y398 HydrophobicContact CG2-CD2 4.15Å; I327-Y398 HydrophobicContact CG2-CE2 3.25Å; I327-Y398 WeakPolarHBondContact CG2-OH 3.45Å; I327-Y398 WeakPolarHBondContact O-CE2 3.49Å; I327-Y398 PolarHBondContact O-OH 3.03Å; I327-Y398 VanDerWaalsContact O-OH 3.14Å
328N63.9Low61.7Low0 Ų062.1 Ų62.10%030%0.298CS..Hα-helixtrans-64.3-35.5173.9-86.60.8000113.9N305 Y324 N331 G332 Y398 N402N305-N328 VanDerWaalsContact ND2-C 3.34Å; N305-N328 PolarHBondContact ND2-O 3.43Å; N305-N328 VanDerWaalsContact OD1-CB 3.3Å; N305-N328 WeakPolarHBondContact OD1-CB 3.12Å; Y324-N328 WeakPolarHBondContact CE1-ND2 3.47Å; Y324-N328 PolarHBondContact O-N 2.93Å; Y324-N328 PolarHBondContact OH-ND2 3.28Å; N328-N331 PolarHBondContact O-N 3.1Å; N328-G332 PolarHBondContact O-N 3.22Å; N328-Y398 WeakPolarHBondContact CA-OH 3.32Å; N328-Y398 PolarHBondContact N-OH 3.29Å; N328-Y398 PolarHBondContact OD1-OH 3.48Å; N328-N402 PolarHBondContact OD1-ND2 2.77Å
329F66.7Low62.7Low84 Ų8456.8 Ų56.837%0.36827%0.271SS..Hα-helixtrans-64.8-43.6176.3178.7-95000111.4I302 N305 K325 I326 I327 N331 G332 L333I302-F329 HydrophobicContact CG1-CD2 4.28Å; I302-F329 HydrophobicContact CG1-CE2 4.4Å; I302-F329 HydrophobicContact CG2-CD2 4.19Å; I302-F329 HydrophobicContact CG2-CE2 3.87Å; N305-F329 PolarHBondContact ND2-N 3.37Å; K325-F329 WeakPolarHBondContact O-CB 3.28Å; K325-F329 PolarHBondContact O-N 3.2Å; I326-F329 PolarHBondContact O-N 3.5Å; I327-F329 PolarHBondContact O-N 2.93Å; F329-N331 VanDerWaalsContact C-N 3.33Å; F329-N331 PolarHBondContact O-N 3.32Å; F329-G332 PolarHBondContact O-N 2.98Å; F329-L333 HydrophobicContact CD1-CD1 4.01Å; F329-L333 HydrophobicContact CE1-CD1 3.51Å; F329-L333 HydrophobicContact CE1-CG 4.33Å; F329-L333 HydrophobicContact CZ-CD1 4.08Å; F329-L333 PolarHBondContact O-N 3.31Å
330F68.4Low63.8Low121 Ų12156.6 Ų56.653%0.53127%0.265SS..Hα-helixtrans-62.4-37172.1-81.2-65.6000112.6I326 I327 L333 L334I326-F330 HydrophobicContact CG2-CD2 3.8Å; I326-F330 HydrophobicContact CG2-CE2 3.66Å; I326-F330 VanDerWaalsContact O-CD2 3.27Å; I326-F330 WeakPolarHBondContact O-CD2 3.27Å; I326-F330 PolarHBondContact O-N 3.29Å; I327-F330 PolarHBondContact O-N 3.03Å; F330-L333 PolarHBondContact O-N 3.37Å; F330-L334 WeakPolarHBondContact O-CB 3.35Å; F330-L334 WeakPolarHBondContact O-CG 3.41Å; F330-L334 PolarHBondContact O-N 3.08Å
331N64.5Low64.8Low0 Ų051.4 Ų51.40%024%0.243CC..Hα-helixtrans-62.7-44.1175.4-165.346000112.2I327 N328 F329 L333 L334 V335 Y398 N449I327-N331 PolarHBondContact O-N 3.17Å; N328-N331 PolarHBondContact O-N 3.1Å; F329-N331 VanDerWaalsContact C-N 3.33Å; F329-N331 PolarHBondContact O-N 3.32Å; N331-L333 VanDerWaalsContact C-N 3.31Å; N331-L333 PolarHBondContact O-N 3.46Å; N331-L334 PolarHBondContact O-N 2.88Å; N331-V335 WeakPolarHBondContact O-CB 3.39Å; N331-V335 VanDerWaalsContact O-CG2 3.25Å; N331-V335 WeakPolarHBondContact O-CG2 3.4Å; N331-V335 PolarHBondContact O-N 3.18Å; N331-Y398 HydrophobicContact CB-CE1 3.82Å; N331-Y398 HydrophobicContact CB-CE2 3.97Å; N331-N449 PolarHBondContact ND2-OD1 3.34Å
332G67.1Low65.6Low0 Ų049.9 Ų49.90%024%0.236CC..Hα-helixtrans-57-43174.800000112.7N328 F329 I336N328-G332 PolarHBondContact O-N 3.22Å; F329-G332 PolarHBondContact O-N 2.98Å; G332-I336 WeakPolarHBondContact O-CD1 3.41Å; G332-I336 VanDerWaalsContact O-CG1 3.27Å; G332-I336 WeakPolarHBondContact O-CG1 3.25Å; G332-I336 PolarHBondContact O-N 2.91Å; G332-I336 VanDerWaalsContact O-N 3.12Å
333L72.8Confident66.2Low75 Ų7545 Ų4539%0.39322%0.215SC..Hα-helixtrans-65.8-42.8175-71.4174.8000113.1I302 F329 F330 N331 I336 F337I302-L333 HydrophobicContact CD1-CD2 3.72Å; I302-L333 HydrophobicContact CD1-CG 3.97Å; F329-L333 HydrophobicContact CD1-CD1 4.01Å; F329-L333 HydrophobicContact CE1-CD1 3.51Å; F329-L333 HydrophobicContact CE1-CG 4.33Å; F329-L333 HydrophobicContact CZ-CD1 4.08Å; F329-L333 PolarHBondContact O-N 3.31Å; F330-L333 PolarHBondContact O-N 3.37Å; N331-L333 VanDerWaalsContact C-N 3.31Å; N331-L333 PolarHBondContact O-N 3.46Å; L333-I336 PolarHBondContact O-N 3.36Å; L333-F337 WeakPolarHBondContact O-CB 3.27Å; L333-F337 PolarHBondContact O-N 3.39Å
334L69.2Low66.6Low61 Ų6143.4 Ų43.432%0.31921%0.207SC..Hα-helixtrans-64.1-39.9178-74.2169.8000112F330 N331 F337 I338 I391 I395F330-L334 WeakPolarHBondContact O-CB 3.35Å; F330-L334 WeakPolarHBondContact O-CG 3.41Å; F330-L334 PolarHBondContact O-N 3.08Å; N331-L334 PolarHBondContact O-N 2.88Å; L334-F337 PolarHBondContact O-N 2.92Å; L334-I338 PolarHBondContact O-N 3.37Å; L334-I391 HydrophobicContact CD2-CG2 4.22Å; L334-I395 HydrophobicContact CB-CD1 3.93Å; L334-I395 HydrophobicContact CB-CG1 4.3Å; L334-I395 HydrophobicContact CD1-CG1 4.33Å
335V69.2Low66.9Low0 Ų042.7 Ų42.70%020%0.204CC..Hα-helixtrans-60.3-48.1173.91640000111.2L294 N331 F337 I338 G339 S452L294-V335 HydrophobicContact CB-CG1 4.08Å; L294-V335 HydrophobicContact CD2-CG1 4.21Å; L294-V335 VanDerWaalsContact O-CG1 3.27Å; L294-V335 WeakPolarHBondContact O-CG1 3.39Å; N331-V335 WeakPolarHBondContact O-CB 3.39Å; N331-V335 VanDerWaalsContact O-CG2 3.25Å; N331-V335 WeakPolarHBondContact O-CG2 3.4Å; N331-V335 PolarHBondContact O-N 3.18Å; V335-F337 VanDerWaalsContact C-N 3.31Å; V335-F337 PolarHBondContact O-N 3.12Å; V335-I338 PolarHBondContact O-N 2.85Å; V335-G339 PolarHBondContact O-N 3.3Å; V335-S452 WeakPolarHBondContact CG1-OG 3.47Å; V335-S452 WeakPolarHBondContact CG2-OG 3.28Å
336I70.3Confident66.7Low21 Ų2141.5 Ų41.511%0.10820%0.199CC..Hα-helixtrans-59.7-44175.3-69.6161.4000110.4N299 I302 G332 L333 G339 F340N299-I336 WeakPolarHBondContact OD1-CD1 3.2Å; I302-I336 HydrophobicContact CD1-CD1 3.58Å; G332-I336 WeakPolarHBondContact O-CD1 3.41Å; G332-I336 VanDerWaalsContact O-CG1 3.27Å; G332-I336 WeakPolarHBondContact O-CG1 3.25Å; G332-I336 PolarHBondContact O-N 2.91Å; G332-I336 VanDerWaalsContact O-N 3.12Å; L333-I336 PolarHBondContact O-N 3.36Å; I336-G339 PolarHBondContact O-N 3.28Å; I336-F340 HydrophobicContact CG2-CD2 3.57Å; I336-F340 HydrophobicContact CG2-CE2 3.51Å; I336-F340 WeakPolarHBondContact O-CD2 3.41Å; I336-F340 PolarHBondContact O-N 2.96Å
337F71.4Confident66.3Low108 Ų10842.6 Ų42.647%0.47420%0.201SC..Hα-helixtrans-64.8-41-178.7-167.5-115.3000112.5L333 L334 V335 F340 L341 I391L333-F337 WeakPolarHBondContact O-CB 3.27Å; L333-F337 PolarHBondContact O-N 3.39Å; L334-F337 PolarHBondContact O-N 2.92Å; V335-F337 VanDerWaalsContact C-N 3.31Å; V335-F337 PolarHBondContact O-N 3.12Å; F337-F340 PolarHBondContact O-N 3.48Å; F337-L341 HydrophobicContact CD1-CD1 3.79Å; F337-L341 HydrophobicContact CD1-CG 4.4Å; F337-L341 HydrophobicContact CE1-CD1 3.49Å; F337-L341 VanDerWaalsContact CE1-CD1 3.49Å; F337-L341 HydrophobicContact CE1-CG 4.2Å; F337-L341 HydrophobicContact CZ-CD1 3.99Å; F337-L341 HydrophobicContact CZ-CG 4.29Å; F337-L341 WeakPolarHBondContact O-CB 3.13Å; F337-L341 WeakPolarHBondContact O-CG 3.38Å; F337-L341 PolarHBondContact O-N 3.28Å; F337-I391 HydrophobicContact CD1-CD1 4.02Å; F337-I391 HydrophobicContact CE1-CD1 3.77Å
338I70.1Confident65.9Low7 Ų747.3 Ų47.34%0.03622%0.216CC..Hα-helixtrans-60.3-47.2170.8-73.4-175.5000110.8L294 L334 V335 F340 L341 S342 L388 I391 I395L294-I338 HydrophobicContact CD1-CG2 4.02Å; L334-I338 PolarHBondContact O-N 3.37Å; V335-I338 PolarHBondContact O-N 2.85Å; I338-F340 VanDerWaalsContact C-N 3.31Å; I338-F340 PolarHBondContact O-N 2.85Å; I338-L341 PolarHBondContact O-N 3.24Å; I338-S342 PolarHBondContact O-N 3.45Å; I338-S342 PolarHBondContact O-OG 2.88Å; I338-S342 VanDerWaalsContact O-OG 3.12Å; I338-L388 HydrophobicContact CG1-CD2 4.39Å; I338-L388 HydrophobicContact CG2-CD2 4.26Å; I338-I391 HydrophobicContact CD1-CG2 4.05Å; I338-I391 HydrophobicContact CG1-CG2 3.91Å; I338-I395 HydrophobicContact CD1-CD1 3.42Å; I338-I395 VanDerWaalsContact CD1-CD1 3.42Å; I338-I395 HydrophobicContact CG1-CD1 4.39Å
339G67.7Low65.3Low0 Ų049 Ų490%022%0.224CC..Hα-helixtrans-61-35.4178.900000113.7V335 I336 S342 I343V335-G339 PolarHBondContact O-N 3.3Å; I336-G339 PolarHBondContact O-N 3.28Å; G339-S342 PolarHBondContact O-OG 3.37Å; G339-I343 WeakPolarHBondContact O-CD1 3.41Å; G339-I343 VanDerWaalsContact O-CG1 3.28Å; G339-I343 WeakPolarHBondContact O-CG1 3.38Å; G339-I343 PolarHBondContact O-N 3.4Å
340F71.2Confident64.3Low109 Ų10946.9 Ų46.948%0.47822%0.218SC..Hα-helixtrans-72.3-42.9171.7-82.9-65.2000112.6I295 I336 F337 I338 S342 I343 L344I295-F340 HydrophobicContact CD1-CD1 4.13Å; I295-F340 HydrophobicContact CD1-CD2 4.26Å; I295-F340 HydrophobicContact CD1-CE1 4.13Å; I295-F340 HydrophobicContact CD1-CE2 4.27Å; I295-F340 HydrophobicContact CD1-CG 4.19Å; I295-F340 HydrophobicContact CD1-CZ 4.2Å; I295-F340 HydrophobicContact CG1-CD2 4.46Å; I295-F340 HydrophobicContact CG1-CE2 4.47Å; I336-F340 HydrophobicContact CG2-CD2 3.57Å; I336-F340 HydrophobicContact CG2-CE2 3.51Å; I336-F340 WeakPolarHBondContact O-CD2 3.41Å; I336-F340 PolarHBondContact O-N 2.96Å; F337-F340 PolarHBondContact O-N 3.48Å; I338-F340 VanDerWaalsContact C-N 3.31Å; I338-F340 PolarHBondContact O-N 2.85Å; F340-S342 PolarHBondContact O-N 3.18Å; F340-I343 PolarHBondContact O-N 3.05Å; F340-L344 WeakPolarHBondContact O-CB 3.49Å; F340-L344 WeakPolarHBondContact O-CG 3.47Å; F340-L344 PolarHBondContact O-N 3.38Å
341L66.8Low63.1Low31 Ų3146.1 Ų46.116%0.16222%0.218CC..Hα-helixtrans-65.8-34.3178.6-77.5-179.8000112.9F337 I338 L344 S345 L388 I391F337-L341 HydrophobicContact CD1-CD1 3.79Å; F337-L341 HydrophobicContact CD1-CG 4.4Å; F337-L341 HydrophobicContact CE1-CD1 3.49Å; F337-L341 VanDerWaalsContact CE1-CD1 3.49Å; F337-L341 HydrophobicContact CE1-CG 4.2Å; F337-L341 HydrophobicContact CZ-CD1 3.99Å; F337-L341 HydrophobicContact CZ-CG 4.29Å; F337-L341 WeakPolarHBondContact O-CB 3.13Å; F337-L341 WeakPolarHBondContact O-CG 3.38Å; F337-L341 PolarHBondContact O-N 3.28Å; I338-L341 PolarHBondContact O-N 3.24Å; L341-L344 HydrophobicContact CD2-CD1 4.37Å; L341-L344 PolarHBondContact O-N 3.09Å; L341-S345 WeakPolarHBondContact O-CB 3.23Å; L341-S345 PolarHBondContact O-N 2.92Å; L341-S345 PolarHBondContact O-OG 2.7Å; L341-L388 HydrophobicContact CB-CD1 4.3Å; L341-L388 HydrophobicContact CB-CD2 3.63Å; L341-L388 HydrophobicContact CB-CG 4.1Å; L341-L388 HydrophobicContact CD1-CD2 4.12Å; L341-L388 HydrophobicContact CD1-CG 4.38Å; L341-I391 HydrophobicContact CD1-CD1 3.78Å
342S68Low62.2Low0 Ų048.4 Ų48.40%023%0.233CC..Hα-helixtrans-69.9-38.8172.958.50000112.2S291 I338 G339 F340 L344 S345 L346S291-S342 VanDerWaalsContact CB-OG 3.27Å; S291-S342 WeakPolarHBondContact CB-OG 3.29Å; S291-S342 WeakPolarHBondContact OG-CB 3.19Å; S291-S342 PolarHBondContact OG-OG 2.97Å; I338-S342 PolarHBondContact O-N 3.45Å; I338-S342 PolarHBondContact O-OG 2.88Å; I338-S342 VanDerWaalsContact O-OG 3.12Å; G339-S342 PolarHBondContact O-OG 3.37Å; F340-S342 PolarHBondContact O-N 3.18Å; S342-L344 VanDerWaalsContact C-N 3.35Å; S342-S345 PolarHBondContact O-OG 2.94Å; S342-S345 VanDerWaalsContact O-OG 3.1Å; S342-L346 VanDerWaalsContact O-CB 3.27Å; S342-L346 WeakPolarHBondContact O-CB 3.28Å; S342-L346 WeakPolarHBondContact O-CD1 3.16Å; S342-L346 WeakPolarHBondContact O-CG 3.48Å; S342-L346 PolarHBondContact O-N 2.9Å
343I66.4Low60.8Low27 Ų2752.3 Ų52.314%0.13825%0.25CC..Hα-helixtrans-64.9-39.1172-69.7168.4000111.2L288 I292 I295 G339 F340 K347L288-I343 HydrophobicContact CD2-CG1 4.26Å; I292-I343 HydrophobicContact CG1-CD1 4.37Å; I295-I343 HydrophobicContact CD1-CD1 3.71Å; G339-I343 WeakPolarHBondContact O-CD1 3.41Å; G339-I343 VanDerWaalsContact O-CG1 3.28Å; G339-I343 WeakPolarHBondContact O-CG1 3.38Å; G339-I343 PolarHBondContact O-N 3.4Å; F340-I343 PolarHBondContact O-N 3.05Å; I343-K347 HydrophobicContact CG2-CD 4.49Å; I343-K347 WeakPolarHBondContact O-CG 3.19Å; I343-K347 PolarHBondContact O-N 3.04Å
344L61.7Low58.9Low76 Ų7656 Ų5640%0.39826%0.263SS..Hα-helixtrans-65.8-50.5176.3-76.1167000111.5F340 L341 S342 L346 K347 Y348F340-L344 WeakPolarHBondContact O-CB 3.49Å; F340-L344 WeakPolarHBondContact O-CG 3.47Å; F340-L344 PolarHBondContact O-N 3.38Å; L341-L344 HydrophobicContact CD2-CD1 4.37Å; L341-L344 PolarHBondContact O-N 3.09Å; S342-L344 VanDerWaalsContact C-N 3.35Å; L344-L346 VanDerWaalsContact C-N 3.31Å; L344-L346 PolarHBondContact O-N 3.42Å; L344-K347 WeakPolarHBondContact O-CB 3.35Å; L344-K347 PolarHBondContact O-N 3.22Å; L344-K347 VanDerWaalsContact O-N 3.09Å; L344-Y348 WeakPolarHBondContact O-CD2 3.31Å; L344-Y348 PolarHBondContact O-N 2.94Å
345S62.8Low57.5Low1 Ų156.9 Ų56.91%0.00727%0.268CS..Hα-helixtrans-59.8-42.5177.569.90000111.2L341 S342 K347 Y348 F349L341-S345 WeakPolarHBondContact O-CB 3.23Å; L341-S345 PolarHBondContact O-N 2.92Å; L341-S345 PolarHBondContact O-OG 2.7Å; S342-S345 PolarHBondContact O-OG 2.94Å; S342-S345 VanDerWaalsContact O-OG 3.1Å; S345-K347 PolarHBondContact O-N 3.13Å; S345-Y348 CarbonylContact O-C 3.53Å; S345-Y348 PolarHBondContact O-N 2.97Å; S345-Y348 VanDerWaalsContact O-N 3.13Å; S345-F349 WeakPolarHBondContact O-CD2 3.4Å; S345-F349 PolarHBondContact O-N 3.14Å
346L57.9Low56.2Low5 Ų558.6 Ų58.63%0.02628%0.276CS..Hα-helixtrans-58.7-41.5172.2-78.2168.3000113.4I284 I287 L288 S342 L344 Y348 F349 T350I284-L346 HydrophobicContact CG1-CD2 4.37Å; I287-L346 HydrophobicContact CB-CD1 3.88Å; I287-L346 HydrophobicContact CB-CD2 4.34Å; I287-L346 HydrophobicContact CD1-CD2 4.5Å; I287-L346 HydrophobicContact CG2-CD1 3.61Å; I287-L346 HydrophobicContact CG2-CD2 4.46Å; I287-L346 HydrophobicContact CG2-CG 4.27Å; L288-L346 HydrophobicContact CD2-CB 4.48Å; L288-L346 HydrophobicContact CD2-CD1 3.71Å; L288-L346 HydrophobicContact CG-CD1 3.86Å; S342-L346 VanDerWaalsContact O-CB 3.27Å; S342-L346 WeakPolarHBondContact O-CB 3.28Å; S342-L346 WeakPolarHBondContact O-CD1 3.16Å; S342-L346 WeakPolarHBondContact O-CG 3.48Å; S342-L346 PolarHBondContact O-N 2.9Å; L344-L346 VanDerWaalsContact C-N 3.31Å; L344-L346 PolarHBondContact O-N 3.42Å; L346-Y348 VanDerWaalsContact C-N 3.32Å; L346-Y348 PolarHBondContact O-N 2.96Å; L346-F349 PolarHBondContact O-N 3.13Å; L346-T350 VanDerWaalsContact O-CB 3.3Å; L346-T350 WeakPolarHBondContact O-CB 3.3Å; L346-T350 WeakPolarHBondContact O-CG2 3.48Å; L346-T350 PolarHBondContact O-N 2.91Å; L346-T350 PolarHBondContact O-OG1 3.36Å
347K55.2Low54.7Low118 Ų11860.3 Ų60.351%0.51329%0.285SS..Hα-helixtrans-60.7-43.3174-77.7175.9179.1178.90110.9I343 L344 S345 F349 T350 I351I343-K347 HydrophobicContact CG2-CD 4.49Å; I343-K347 WeakPolarHBondContact O-CG 3.19Å; I343-K347 PolarHBondContact O-N 3.04Å; L344-K347 WeakPolarHBondContact O-CB 3.35Å; L344-K347 PolarHBondContact O-N 3.22Å; L344-K347 VanDerWaalsContact O-N 3.09Å; S345-K347 PolarHBondContact O-N 3.13Å; K347-F349 VanDerWaalsContact C-N 3.33Å; K347-F349 PolarHBondContact O-N 2.8Å; K347-T350 PolarHBondContact O-N 2.69Å; K347-T350 PolarHBondContact O-OG1 3.48Å; K347-I351 HydrophobicContact CB-CD1 4.49Å; K347-I351 WeakPolarHBondContact O-CB 3.27Å; K347-I351 WeakPolarHBondContact O-CD1 3.46Å; K347-I351 VanDerWaalsContact O-CG1 3.28Å; K347-I351 WeakPolarHBondContact O-CG1 3.36Å; K347-I351 PolarHBondContact O-N 2.89Å
348Y52.3Low53Low149 Ų14961.9 Ų61.958%0.58429%0.292SS*.Hα-helixtrans-68.1-26.7175.4-67.5-63.8000114L344 S345 L346 P352L344-Y348 WeakPolarHBondContact O-CD2 3.31Å; L344-Y348 PolarHBondContact O-N 2.94Å; S345-Y348 CarbonylContact O-C 3.53Å; S345-Y348 PolarHBondContact O-N 2.97Å; S345-Y348 VanDerWaalsContact O-N 3.13Å; L346-Y348 VanDerWaalsContact C-N 3.32Å; L346-Y348 PolarHBondContact O-N 2.96Å; Y348-P352 WeakPolarHBondContact O-CD 3.14Å; Y348-P352 WeakPolarHBondContact O-CG 3.32Å
349F51.6Low51.6Low37 Ų3765 Ų6516%0.16231%0.307CS..Hα-helixtrans-80.2-37.4173.3-79.9-61.4000114.1S345 L346 K347 P352 L381 I385 D470S345-F349 WeakPolarHBondContact O-CD2 3.4Å; S345-F349 PolarHBondContact O-N 3.14Å; L346-F349 PolarHBondContact O-N 3.13Å; K347-F349 VanDerWaalsContact C-N 3.33Å; K347-F349 PolarHBondContact O-N 2.8Å; F349-P352 WeakPolarHBondContact O-CG 3.48Å; F349-L381 HydrophobicContact CD1-CD1 4.5Å; F349-L381 HydrophobicContact CE1-CD1 4.08Å; F349-L381 HydrophobicContact CE1-CD2 4.39Å; F349-L381 HydrophobicContact CZ-CB 4.41Å; F349-L381 HydrophobicContact CZ-CD2 4.32Å; F349-I385 HydrophobicContact CE2-CD1 3.78Å; F349-I385 HydrophobicContact CZ-CD1 3.5Å; F349-D470 WeakPolarHBondContact CE1-OD2 3.34Å
350T46.8Very low50.3Low39 Ų3969.7 Ų69.724%0.23933%0.325CS..Hα-helixtrans-86.6-38.7-167.652.10000114I284 L346 K347 F353 K354I284-T350 HydrophobicContact CB-CG2 4.36Å; I284-T350 HydrophobicContact CD1-CG2 3.65Å; I284-T350 HydrophobicContact CG1-CG2 3.82Å; I284-T350 HydrophobicContact CG2-CG2 3.57Å; L346-T350 VanDerWaalsContact O-CB 3.3Å; L346-T350 WeakPolarHBondContact O-CB 3.3Å; L346-T350 WeakPolarHBondContact O-CG2 3.48Å; L346-T350 PolarHBondContact O-N 2.91Å; L346-T350 PolarHBondContact O-OG1 3.36Å; K347-T350 PolarHBondContact O-N 2.69Å; K347-T350 PolarHBondContact O-OG1 3.48Å; T350-F353 PolarHBondContact O-N 3.32Å; T350-K354 PolarHBondContact O-N 2.85Å
351I43.1Very low48.8Very low105 Ų10572.8 Ų72.854%0.53834%0.341SS..Hα-helixtrans-58.3-48.7177-65.2170.4000111.8K347 N355K347-I351 HydrophobicContact CB-CD1 4.49Å; K347-I351 WeakPolarHBondContact O-CB 3.27Å; K347-I351 WeakPolarHBondContact O-CD1 3.46Å; K347-I351 VanDerWaalsContact O-CG1 3.28Å; K347-I351 WeakPolarHBondContact O-CG1 3.36Å; K347-I351 PolarHBondContact O-N 2.89Å; I351-N355 WeakPolarHBondContact O-CB 3.37Å; I351-N355 PolarHBondContact O-N 3.31Å
352P44.3Very low47.5Very low48 Ų4877.4 Ų77.431%0.31236%0.364SS..Hα-helixtrans-64.7-44.8176.124.4-33000111.8Y348 F349 K354 N355 I356Y348-P352 WeakPolarHBondContact O-CD 3.14Å; Y348-P352 WeakPolarHBondContact O-CG 3.32Å; F349-P352 WeakPolarHBondContact O-CG 3.48Å; P352-K354 PolarHBondContact O-N 2.98Å; P352-N355 PolarHBondContact O-N 3.33Å; P352-I356 HydrophobicContact CB-CD1 4.09Å; P352-I356 VanDerWaalsContact O-CB 3.28Å; P352-I356 WeakPolarHBondContact O-CB 3.46Å; P352-I356 WeakPolarHBondContact O-CD1 3.47Å; P352-I356 WeakPolarHBondContact O-CG1 3.36Å; P352-I356 PolarHBondContact O-N 3Å
353F37.7Very low46.1Very low82 Ų8279.3 Ų79.336%0.3638%0.375SS..Hα-helixtrans-63.8-40.5-172.8-126.5-76.3000113.7T350 L357 I473T350-F353 PolarHBondContact O-N 3.32Å; F353-L357 HydrophobicContact CD1-CD1 4.13Å; F353-L357 HydrophobicContact CD1-CG 4.46Å; F353-L357 WeakPolarHBondContact O-CB 3.43Å; F353-L357 WeakPolarHBondContact O-CG 3.45Å; F353-L357 PolarHBondContact O-N 3.48Å; F353-I473 HydrophobicContact CZ-CG2 4.46Å
354K33.2Very low44.8Very low152 Ų15283.5 Ų83.566%0.66140%0.397SS*.Hα-helixtrans-69.8-35.3177.4-166.1179-178.4-1750112.2T350 P352 K358T350-K354 PolarHBondContact O-N 2.85Å; P352-K354 PolarHBondContact O-N 2.98Å; K354-K358 PolarHBondContact O-N 3.09Å; K354-K358 VanDerWaalsContact O-N 3.16Å
355N38.9Very low43.8Very low80 Ų8088.3 Ų88.343%0.42842%0.415SS..Hα-helixtrans-73.1-42.4175.2-75.1-7.7000111.7I351 P352 L357 K358 Q359I351-N355 WeakPolarHBondContact O-CB 3.37Å; I351-N355 PolarHBondContact O-N 3.31Å; P352-N355 PolarHBondContact O-N 3.33Å; N355-L357 VanDerWaalsContact C-N 3.26Å; N355-L357 PolarHBondContact O-N 3.15Å; N355-K358 PolarHBondContact O-N 3Å; N355-Q359 WeakPolarHBondContact O-CB 3.02Å; N355-Q359 WeakPolarHBondContact O-CG 3.33Å; N355-Q359 PolarHBondContact O-N 3.2Å
356I42.8Very low42.9Very low35 Ų3591.1 Ų91.118%0.17943%0.434CS..Hα-helixtrans-56.9-40.6173.3-73164.5000110.4P352 Q359 Y360 F377P352-I356 HydrophobicContact CB-CD1 4.09Å; P352-I356 VanDerWaalsContact O-CB 3.28Å; P352-I356 WeakPolarHBondContact O-CB 3.46Å; P352-I356 WeakPolarHBondContact O-CD1 3.47Å; P352-I356 WeakPolarHBondContact O-CG1 3.36Å; P352-I356 PolarHBondContact O-N 3Å; I356-Q359 PolarHBondContact O-N 3.05Å; I356-Y360 HydrophobicContact CG2-CD2 4.09Å; I356-Y360 WeakPolarHBondContact O-CB 3.44Å; I356-Y360 PolarHBondContact O-N 2.95Å; I356-F377 HydrophobicContact CD1-CE2 4.13Å
357L38.4Very low42.2Very low57 Ų5799 Ų9930%0.29847%0.465SS..Hα-helixtrans-67.8-49.6176.9-77164.6000113I277 F353 N355 Q359 Y360 E361I277-L357 HydrophobicContact CD1-CD1 3.73Å; I277-L357 HydrophobicContact CD1-CD2 3.55Å; I277-L357 HydrophobicContact CD1-CG 4.31Å; I277-L357 HydrophobicContact CG1-CD1 3.89Å; I277-L357 HydrophobicContact CG1-CD2 4.36Å; I277-L357 HydrophobicContact CG2-CD1 4.11Å; F353-L357 HydrophobicContact CD1-CD1 4.13Å; F353-L357 HydrophobicContact CD1-CG 4.46Å; F353-L357 WeakPolarHBondContact O-CB 3.43Å; F353-L357 WeakPolarHBondContact O-CG 3.45Å; F353-L357 PolarHBondContact O-N 3.48Å; N355-L357 VanDerWaalsContact C-N 3.26Å; N355-L357 PolarHBondContact O-N 3.15Å; L357-Q359 VanDerWaalsContact C-N 3.25Å; L357-Q359 PolarHBondContact O-N 3.19Å; L357-Y360 WeakPolarHBondContact O-CB 3.49Å; L357-Y360 PolarHBondContact O-N 3.43Å; L357-Y360 VanDerWaalsContact O-N 3.11Å; L357-E361 PolarHBondContact O-N 3.36Å
358K37Very low41.4Very low141 Ų141102.3 Ų102.361%0.61348%0.48SS*.Hα-helixtrans-61.6-34.2173.9-86.6-162.3165.8-160.30112.8K354 N355K354-K358 PolarHBondContact O-N 3.09Å; K354-K358 VanDerWaalsContact O-N 3.16Å; N355-K358 PolarHBondContact O-N 3Å
359Q39.1Very low40.8Very low73 Ų7396.9 Ų96.934%0.34146%0.46SS..Hα-helixtrans-76.4-26.4176.1-71.5170-12.400111.5N355 I356 L357 E361 I362 L363N355-Q359 WeakPolarHBondContact O-CB 3.02Å; N355-Q359 WeakPolarHBondContact O-CG 3.33Å; N355-Q359 PolarHBondContact O-N 3.2Å; I356-Q359 PolarHBondContact O-N 3.05Å; L357-Q359 VanDerWaalsContact C-N 3.25Å; L357-Q359 PolarHBondContact O-N 3.19Å; Q359-E361 VanDerWaalsContact C-N 3.32Å; Q359-E361 PolarHBondContact O-N 3.49Å; Q359-I362 CarbonylContact O-C 3.59Å; Q359-I362 WeakPolarHBondContact O-CA 3.4Å; Q359-I362 WeakPolarHBondContact O-CB 3.43Å; Q359-I362 PolarHBondContact O-N 2.72Å; Q359-L363 HydrophobicContact CB-CD1 4.2Å; Q359-L363 WeakPolarHBondContact O-CA 3.49Å; Q359-L363 VanDerWaalsContact O-CB 3.29Å; Q359-L363 WeakPolarHBondContact O-CB 3.42Å; Q359-L363 PolarHBondContact O-N 3.19Å
360Y40.6Very low40.3Very low99 Ų9999.3 Ų99.339%0.38847%0.471SS..Hα-helixtrans-64.1-34.8174.5-122.6-74.2000112.6I356 L357 I362 L363I356-Y360 HydrophobicContact CG2-CD2 4.09Å; I356-Y360 WeakPolarHBondContact O-CB 3.44Å; I356-Y360 PolarHBondContact O-N 2.95Å; L357-Y360 WeakPolarHBondContact O-CB 3.49Å; L357-Y360 PolarHBondContact O-N 3.43Å; L357-Y360 VanDerWaalsContact O-N 3.11Å; Y360-I362 PolarHBondContact O-N 2.88Å; Y360-L363 PolarHBondContact O-N 2.97Å
361E40.7Very low40.2Very low173 Ų173102.7 Ų102.781%0.80849%0.487SS*.THydrogen-bonded Turntrans-64.2-14.3170.8-64.3179.1142.200112.6L357 Q359L357-E361 PolarHBondContact O-N 3.36Å; Q359-E361 VanDerWaalsContact C-N 3.32Å; Q359-E361 PolarHBondContact O-N 3.49Å
362I39.3Very low40.1Very low128 Ų128101.6 Ų101.666%0.65648%0.482SS*.THydrogen-bonded Turntrans-110.4-17.4179.7-56.3170.8000111.7Q359 Y360 N364Q359-I362 CarbonylContact O-C 3.59Å; Q359-I362 WeakPolarHBondContact O-CA 3.4Å; Q359-I362 WeakPolarHBondContact O-CB 3.43Å; Q359-I362 PolarHBondContact O-N 2.72Å; Y360-I362 PolarHBondContact O-N 2.88Å; I362-N364 PolarHBondContact O-N 2.8Å
363L38.5Very low39.8Very low41 Ų41100.6 Ų100.622%0.21547%0.474CS..G310 helixtrans-80.6-4.3-157.6-135.681.2000116.7Q359 Y360 K365 L369 I373Q359-L363 HydrophobicContact CB-CD1 4.2Å; Q359-L363 WeakPolarHBondContact O-CA 3.49Å; Q359-L363 VanDerWaalsContact O-CB 3.29Å; Q359-L363 WeakPolarHBondContact O-CB 3.42Å; Q359-L363 PolarHBondContact O-N 3.19Å; Y360-L363 PolarHBondContact O-N 2.97Å; L363-K365 PolarHBondContact O-N 3.27Å; L363-L369 HydrophobicContact CD1-CB 4.06Å; L363-L369 HydrophobicContact CD1-CD2 3.91Å; L363-L369 HydrophobicContact CD1-CG 4.46Å; L363-I373 HydrophobicContact CD2-CD1 4.47Å
364N39.1Very low40Very low114 Ų114100.8 Ų100.861%0.6148%0.478SS*.G310 helixtrans-673.1173.9-84-0.7000113.7I362I362-N364 PolarHBondContact O-N 2.8Å
365K41.5Very low40.2Very low177 Ų177100.7 Ų100.777%0.7748%0.477SS*.G310 helixtrans-130.112.3179.4-74.6-164.3169.9-174.30118.3L363L363-K365 PolarHBondContact O-N 3.27Å
366S42.3Very low40.2Very low60 Ų60102.6 Ų102.642%0.4248%0.483SS..  trans-151.2119.3167.672.50000117.7K368S366-K368 VanDerWaalsContact C-N 3.28Å; S366-K368 PolarHBondContact O-N 2.93Å
367Y43.3Very low39.9Very low171 Ų171103.5 Ų103.567%0.67149%0.486SS*.G310 helixtrans-67.9-22.1172.9-104.9-94.8000114L369 K370Y367-L369 PolarHBondContact O-N 3.3Å; Y367-L369 VanDerWaalsContact O-N 3.09Å; Y367-K370 HydrophobicContact CD1-CD 4.21Å; Y367-K370 HydrophobicContact CE1-CD 4.03Å; Y367-K370 WeakPolarHBondContact O-CB 3.44Å; Y367-K370 PolarHBondContact O-N 3.47Å; Y367-K370 VanDerWaalsContact O-N 3.09Å
368K38.7Very low40Very low188 Ų188107.2 Ų107.282%0.81751%0.506SS*.G310 helixtrans-53.9-31.3-178.5-79.5-175.9174.21780113.3S366S366-K368 VanDerWaalsContact C-N 3.28Å; S366-K368 PolarHBondContact O-N 2.93Å
369L40.3Very low40.1Very low35 Ų35103.4 Ų103.418%0.18350%0.497CS..G310 helixtrans-81.6-18.5-177.2-137106.6000114.3L363 Y367 N371 I372 I373L363-L369 HydrophobicContact CD1-CB 4.06Å; L363-L369 HydrophobicContact CD1-CD2 3.91Å; L363-L369 HydrophobicContact CD1-CG 4.46Å; Y367-L369 PolarHBondContact O-N 3.3Å; Y367-L369 VanDerWaalsContact O-N 3.09Å; L369-N371 PolarHBondContact O-N 2.97Å; L369-I372 HydrophobicContact CD1-CD1 4.24Å; L369-I372 HydrophobicContact CG-CB 4.36Å; L369-I372 HydrophobicContact CG-CD1 4.3Å; L369-I372 WeakPolarHBondContact O-CB 3.43Å; L369-I372 PolarHBondContact O-N 3.06Å; L369-I373 HydrophobicContact CD2-CD1 4.46Å; L369-I373 HydrophobicContact CD2-CG1 4.45Å; L369-I373 WeakPolarHBondContact O-CG1 3.48Å; L369-I373 PolarHBondContact O-N 3.48Å
370K41.4Very low40.4Very low87 Ų87103.3 Ų103.338%0.37850%0.502SS..Hα-helixtrans-57.7-36.2178.6-167.4177.7-177.2-179.10111.6Y367 I374Y367-K370 HydrophobicContact CD1-CD 4.21Å; Y367-K370 HydrophobicContact CE1-CD 4.03Å; Y367-K370 WeakPolarHBondContact O-CB 3.44Å; Y367-K370 PolarHBondContact O-N 3.47Å; Y367-K370 VanDerWaalsContact O-N 3.09Å; K370-I374 HydrophobicContact CG-CD1 4.46Å; K370-I374 WeakPolarHBondContact O-CG1 3.27Å; K370-I374 PolarHBondContact O-N 3.01Å; K370-I374 VanDerWaalsContact O-N 3.08Å
371N44.2Very low40.5Very low110 Ų11099.7 Ų99.759%0.58849%0.489SS*.Hα-helixtrans-77.9-25.2177.9-68-0.5000113.4L369 K375L369-N371 PolarHBondContact O-N 2.97Å; N371-K375 WeakPolarHBondContact O-CB 3.34Å; N371-K375 WeakPolarHBondContact O-CG 3.27Å; N371-K375 PolarHBondContact O-N 2.93Å
372I40.8Very low40.8Very low82 Ų8296 Ų9642%0.42147%0.469SS..Hα-helixtrans-72-41.1172.3-66.3173.8000109.7L369 K375 H376L369-I372 HydrophobicContact CD1-CD1 4.24Å; L369-I372 HydrophobicContact CG-CB 4.36Å; L369-I372 HydrophobicContact CG-CD1 4.3Å; L369-I372 WeakPolarHBondContact O-CB 3.43Å; L369-I372 PolarHBondContact O-N 3.06Å; I372-K375 PolarHBondContact O-N 2.89Å; I372-H376 PolarHBondContact O-CD2 3.29Å; I372-H376 PolarHBondContact O-N 3.16Å
373I38.1Very low41Very low27 Ų2793.2 Ų93.214%0.13846%0.455CS..Hα-helixtrans-57.5-54.3171.7-66169.3000109.7L363 L369 K375 H376 F377L363-I373 HydrophobicContact CD2-CD1 4.47Å; L369-I373 HydrophobicContact CD2-CD1 4.46Å; L369-I373 HydrophobicContact CD2-CG1 4.45Å; L369-I373 WeakPolarHBondContact O-CG1 3.48Å; L369-I373 PolarHBondContact O-N 3.48Å; I373-K375 VanDerWaalsContact C-N 3.34Å; I373-K375 PolarHBondContact O-N 3.18Å; I373-H376 PolarHBondContact O-N 2.94Å; I373-F377 HydrophobicContact CG2-CD2 3.66Å; I373-F377 HydrophobicContact CG2-CE2 3.84Å; I373-F377 WeakPolarHBondContact O-CB 3.42Å; I373-F377 WeakPolarHBondContact O-CD2 3.3Å; I373-F377 PolarHBondContact O-N 2.92Å
374I41.6Very low41.5Very low87 Ų8794 Ų9445%0.44646%0.459SS..Hα-helixtrans-59.3-41.8179.5-66.1164.4000111.9K370 H376 F377 N378K370-I374 HydrophobicContact CG-CD1 4.46Å; K370-I374 WeakPolarHBondContact O-CG1 3.27Å; K370-I374 PolarHBondContact O-N 3.01Å; K370-I374 VanDerWaalsContact O-N 3.08Å; I374-H376 PolarHBondContact O-N 3.46Å; I374-F377 PolarHBondContact O-N 3.24Å; I374-N378 PolarHBondContact O-N 3.46Å
375K38.6Very low42Very low149 Ų14989 Ų8965%0.64843%0.432SS*.Hα-helixtrans-61.1-41.1176.1-84.3-172.1171.7-170.20113.4N371 I372 I373N371-K375 WeakPolarHBondContact O-CB 3.34Å; N371-K375 WeakPolarHBondContact O-CG 3.27Å; N371-K375 PolarHBondContact O-N 2.93Å; I372-K375 PolarHBondContact O-N 2.89Å; I373-K375 VanDerWaalsContact C-N 3.34Å; I373-K375 PolarHBondContact O-N 3.18Å
376H38.9Very low42.4Very low121 Ų12184.3 Ų84.356%0.5642%0.415SS*.Hα-helixtrans-81.3-29.6179.7-74.6-58000113.8I372 I373 I374 N378 C379I372-H376 PolarHBondContact O-CD2 3.29Å; I372-H376 PolarHBondContact O-N 3.16Å; I373-H376 PolarHBondContact O-N 2.94Å; I374-H376 PolarHBondContact O-N 3.46Å; H376-N378 VanDerWaalsContact C-N 3.25Å; H376-N378 PolarHBondContact O-N 3.31Å; H376-C379 WeakPolarHBondContact O-CB 3.42Å; H376-C379 PolarHBondContact O-N 3.28Å
377F36.6Very low42.8Very low53 Ų5385.4 Ų85.423%0.23242%0.416CS..Hα-helixtrans-67.8-26.4175.3-91.5-96.6000112.7I356 I373 I374 R474I356-F377 HydrophobicContact CD1-CE2 4.13Å; I373-F377 HydrophobicContact CG2-CD2 3.66Å; I373-F377 HydrophobicContact CG2-CE2 3.84Å; I373-F377 WeakPolarHBondContact O-CB 3.42Å; I373-F377 WeakPolarHBondContact O-CD2 3.3Å; I373-F377 PolarHBondContact O-N 2.92Å; I374-F377 PolarHBondContact O-N 3.24Å; F377-R474 HydrophobicContact CD1-CG 3.76Å; F377-R474 HydrophobicContact CE1-CG 3.63Å; F377-R474 PolarHBondContact O-NH1 2.93Å
378N39.1Very low43.1Very low135 Ų13577.6 Ų77.672%0.72239%0.385SS*.THydrogen-bonded Turntrans-87.34.8174.6-71.912.9000114.4I374 H376I374-N378 PolarHBondContact O-N 3.46Å; H376-N378 VanDerWaalsContact C-N 3.25Å; H376-N378 PolarHBondContact O-N 3.31Å
379C39Very low43.8Very low62 Ų6269.9 Ų69.942%0.41936%0.355SS..SBendtrans-67.5154173.6-116.10000111.3H376 L381H376-C379 WeakPolarHBondContact O-CB 3.42Å; H376-C379 PolarHBondContact O-N 3.28Å; C379-L381 PolarHBondContact O-N 3.45Å
380P46.2Very low44.3Very low71 Ų7170.9 Ų70.946%0.46136%0.358SS..SBendtrans-78.243.6-165.233.9-38.1000114.6Y382 L383 I384P380-Y382 VanDerWaalsContact C-N 3.32Å; P380-Y382 PolarHBondContact O-N 3.35Å; P380-L383 HydrophobicContact CB-CB 3.94Å; P380-L383 HydrophobicContact CB-CD1 4.42Å; P380-L383 WeakPolarHBondContact O-CB 3.32Å; P380-L383 PolarHBondContact O-N 3.12Å; P380-I384 PolarHBondContact O-N 2.91Å
381L41.6Very low44.8Very low22 Ų2268.1 Ų68.112%0.11535%0.347CS..Hα-helixtrans-58.8-41.8176.4-70.6162.9000111.8F349 C379 L383 I384 I385F349-L381 HydrophobicContact CD1-CD1 4.5Å; F349-L381 HydrophobicContact CE1-CD1 4.08Å; F349-L381 HydrophobicContact CE1-CD2 4.39Å; F349-L381 HydrophobicContact CZ-CB 4.41Å; F349-L381 HydrophobicContact CZ-CD2 4.32Å; C379-L381 PolarHBondContact O-N 3.45Å; L381-L383 VanDerWaalsContact C-N 3.26Å; L381-L383 PolarHBondContact O-N 2.92Å; L381-I384 PolarHBondContact O-N 3.22Å; L381-I385 VanDerWaalsContact O-CD1 3.27Å; L381-I385 WeakPolarHBondContact O-CD1 3.32Å; L381-I385 VanDerWaalsContact O-CG1 3.26Å; L381-I385 WeakPolarHBondContact O-CG1 3.37Å; L381-I385 PolarHBondContact O-N 3.18Å
382Y47Very low45.2Very low97 Ų9763.1 Ų63.138%0.3832%0.32SS..Hα-helixtrans-58.3-39.6172.7-64-71.9000112P380 I385 L386 L471 R474P380-Y382 VanDerWaalsContact C-N 3.32Å; P380-Y382 PolarHBondContact O-N 3.35Å; Y382-I385 PolarHBondContact O-N 3.2Å; Y382-L386 WeakPolarHBondContact O-CB 3.21Å; Y382-L386 PolarHBondContact O-N 3.04Å; Y382-L471 HydrophobicContact CE1-CD1 4.28Å; Y382-L471 HydrophobicContact CE1-CD2 3.93Å; Y382-L471 HydrophobicContact CE1-CG 3.99Å; Y382-L471 WeakPolarHBondContact OH-CD2 3.35Å; Y382-R474 WeakPolarHBondContact OH-CD 3.37Å
383L44.2Very low45.7Very low68 Ų6862.3 Ų62.336%0.35632%0.316SS..Hα-helixtrans-66.6-43.5179.1-143.6169.2000110.4P380 L381 I385 L386 L387P380-L383 HydrophobicContact CB-CB 3.94Å; P380-L383 HydrophobicContact CB-CD1 4.42Å; P380-L383 WeakPolarHBondContact O-CB 3.32Å; P380-L383 PolarHBondContact O-N 3.12Å; L381-L383 VanDerWaalsContact C-N 3.26Å; L381-L383 PolarHBondContact O-N 2.92Å; L383-I385 VanDerWaalsContact C-N 3.33Å; L383-I385 PolarHBondContact O-N 2.93Å; L383-L386 PolarHBondContact O-N 3.41Å; L383-L387 WeakPolarHBondContact O-CB 3.1Å; L383-L387 PolarHBondContact O-N 3.02Å
384I48.1Very low46.3Very low59 Ų5964 Ų6430%0.30333%0.329SS..Hα-helixtrans-62-38.5175.5-64.1170.1000111.8P380 L381 L388P380-I384 PolarHBondContact O-N 2.91Å; L381-I384 PolarHBondContact O-N 3.22Å; I384-L388 HydrophobicContact CG2-CD1 4.5Å; I384-L388 PolarHBondContact O-N 3.37Å
385I50.2Low46.9Very low9 Ų959.8 Ų59.85%0.04631%0.308CS..Hα-helixtrans-78.1-39.7-178.7-61.2154.8000111.4F349 L381 Y382 L383 L387 L388 C389 T467F349-I385 HydrophobicContact CE2-CD1 3.78Å; F349-I385 HydrophobicContact CZ-CD1 3.5Å; L381-I385 VanDerWaalsContact O-CD1 3.27Å; L381-I385 WeakPolarHBondContact O-CD1 3.32Å; L381-I385 VanDerWaalsContact O-CG1 3.26Å; L381-I385 WeakPolarHBondContact O-CG1 3.37Å; L381-I385 PolarHBondContact O-N 3.18Å; Y382-I385 PolarHBondContact O-N 3.2Å; L383-I385 VanDerWaalsContact C-N 3.33Å; L383-I385 PolarHBondContact O-N 2.93Å; I385-L387 VanDerWaalsContact C-N 3.25Å; I385-L387 PolarHBondContact O-N 2.69Å; I385-L388 WeakPolarHBondContact O-CB 3.31Å; I385-L388 PolarHBondContact O-N 2.64Å; I385-C389 PolarHBondContact O-N 3.42Å; I385-C389 PolarHBondContact O-SG 2.88Å; I385-C389 VanDerWaalsContact O-SG 3.37Å; I385-T467 HydrophobicContact CB-CG2 4.37Å; I385-T467 HydrophobicContact CD1-CG2 3.48Å; I385-T467 VanDerWaalsContact CD1-CG2 3.48Å; I385-T467 HydrophobicContact CG1-CG2 4.38Å; I385-T467 HydrophobicContact CG2-CG2 3.8Å
386L49Very low47.6Very low77 Ų7755.5 Ų55.540%0.40329%0.289SS..Hα-helixtrans-57.7-41.7170.4-170.184.2000110.4L239 Y382 L383 C389 F390L239-L386 HydrophobicContact CD2-CD2 4.18Å; Y382-L386 WeakPolarHBondContact O-CB 3.21Å; Y382-L386 PolarHBondContact O-N 3.04Å; L383-L386 PolarHBondContact O-N 3.41Å; L386-C389 WeakPolarHBondContact O-CB 3.5Å; L386-C389 PolarHBondContact O-N 3.29Å; L386-F390 HydrophobicContact CD1-CE2 4.17Å; L386-F390 HydrophobicContact CD2-CD2 4.37Å; L386-F390 HydrophobicContact CD2-CE2 3.79Å; L386-F390 HydrophobicContact CG-CD2 3.93Å; L386-F390 HydrophobicContact CG-CE2 3.59Å; L386-F390 WeakPolarHBondContact O-CD2 3.43Å; L386-F390 PolarHBondContact O-N 3.45Å
387L51.1Low48.2Very low84 Ų8453.2 Ų53.244%0.4428%0.281SS..Hα-helixtrans-68.7-38.6176.4-158163.5000111.5L383 I385 F390 I391L383-L387 WeakPolarHBondContact O-CB 3.1Å; L383-L387 PolarHBondContact O-N 3.02Å; I385-L387 VanDerWaalsContact C-N 3.25Å; I385-L387 PolarHBondContact O-N 2.69Å; L387-F390 CarbonylContact O-C 3.57Å; L387-F390 PolarHBondContact O-N 3.27Å; L387-I391 HydrophobicContact CD2-CD1 3.45Å; L387-I391 VanDerWaalsContact CD2-CD1 3.45Å; L387-I391 HydrophobicContact CD2-CG1 4Å; L387-I391 WeakPolarHBondContact O-CG1 3.31Å; L387-I391 PolarHBondContact O-N 3Å
388L51.1Low49.1Very low6 Ų652.3 Ų52.33%0.03128%0.276CS..Hα-helixtrans-58.3-46.8168.5-91.1162000112.1I338 L341 I384 I385 F390 I391 S392 L463I338-L388 HydrophobicContact CG1-CD2 4.39Å; I338-L388 HydrophobicContact CG2-CD2 4.26Å; L341-L388 HydrophobicContact CB-CD1 4.3Å; L341-L388 HydrophobicContact CB-CD2 3.63Å; L341-L388 HydrophobicContact CB-CG 4.1Å; L341-L388 HydrophobicContact CD1-CD2 4.12Å; L341-L388 HydrophobicContact CD1-CG 4.38Å; I384-L388 HydrophobicContact CG2-CD1 4.5Å; I384-L388 PolarHBondContact O-N 3.37Å; I385-L388 WeakPolarHBondContact O-CB 3.31Å; I385-L388 PolarHBondContact O-N 2.64Å; L388-F390 VanDerWaalsContact C-N 3.34Å; L388-F390 PolarHBondContact O-N 2.99Å; L388-I391 PolarHBondContact O-N 3.02Å; L388-S392 PolarHBondContact O-N 3.44Å; L388-S392 VanDerWaalsContact O-N 3.07Å; L388-S392 PolarHBondContact O-OG 3.14Å; L388-L463 HydrophobicContact CD1-CD1 4.1Å
389C51.9Low49.9Very low27 Ų2748.8 Ų48.818%0.18225%0.253CS..Hα-helixtrans-60.2-43.4173.5-66.70000111.3I385 L386 I391 S392 I393 L460I385-C389 PolarHBondContact O-N 3.42Å; I385-C389 PolarHBondContact O-SG 2.88Å; I385-C389 VanDerWaalsContact O-SG 3.37Å; L386-C389 WeakPolarHBondContact O-CB 3.5Å; L386-C389 PolarHBondContact O-N 3.29Å; C389-I391 PolarHBondContact O-N 3.45Å; C389-S392 WeakPolarHBondContact CA-OG 3.2Å; C389-S392 PolarHBondContact O-N 3.49Å; C389-S392 PolarHBondContact O-OG 3.17Å; C389-I393 WeakPolarHBondContact O-CG1 3.47Å; C389-I393 PolarHBondContact O-N 3.09Å; C389-I393 VanDerWaalsContact O-N 3.09Å; C389-L460 HydrophobicContact CB-CD1 4.36Å
390F50.9Low50.5Low56 Ų5651.1 Ų51.125%0.24626%0.258CS..Hα-helixtrans-68-25.3176.6-77.4-50.8000114.7I172 F176 L386 L387 L388 I393 P394I172-F390 HydrophobicContact CG2-CE1 4.07Å; I172-F390 HydrophobicContact CG2-CZ 3.78Å; F176-F390 AromaticContact CE2-CD1 3.89Å; F176-F390 HydrophobicContact CE2-CD1 3.89Å; F176-F390 AromaticContact CE2-CE1 3.55Å; F176-F390 HydrophobicContact CE2-CE1 3.55Å; F176-F390 HydrophobicContact CE2-CZ 4.47Å; F176-F390 AromaticContact CZ-CD1 3.87Å; F176-F390 HydrophobicContact CZ-CD1 3.87Å; F176-F390 HydrophobicContact CZ-CE1 4.04Å; L386-F390 HydrophobicContact CD1-CE2 4.17Å; L386-F390 HydrophobicContact CD2-CD2 4.37Å; L386-F390 HydrophobicContact CD2-CE2 3.79Å; L386-F390 HydrophobicContact CG-CD2 3.93Å; L386-F390 HydrophobicContact CG-CE2 3.59Å; L386-F390 WeakPolarHBondContact O-CD2 3.43Å; L386-F390 PolarHBondContact O-N 3.45Å; L387-F390 CarbonylContact O-C 3.57Å; L387-F390 PolarHBondContact O-N 3.27Å; L388-F390 VanDerWaalsContact C-N 3.34Å; L388-F390 PolarHBondContact O-N 2.99Å; F390-I393 HydrophobicContact CD1-CD1 4.12Å; F390-P394 WeakPolarHBondContact O-CD 3.37Å; F390-P394 WeakPolarHBondContact O-CG 3.43Å
391I53.4Low50.8Low29 Ų2951.3 Ų51.315%0.14925%0.254CS..Hα-helixtrans-75.9-35.9170.6-67.8165.3000110.8L334 F337 I338 L341 L387 L388 C389 P394L334-I391 HydrophobicContact CD2-CG2 4.22Å; F337-I391 HydrophobicContact CD1-CD1 4.02Å; F337-I391 HydrophobicContact CE1-CD1 3.77Å; I338-I391 HydrophobicContact CD1-CG2 4.05Å; I338-I391 HydrophobicContact CG1-CG2 3.91Å; L341-I391 HydrophobicContact CD1-CD1 3.78Å; L387-I391 HydrophobicContact CD2-CD1 3.45Å; L387-I391 VanDerWaalsContact CD2-CD1 3.45Å; L387-I391 HydrophobicContact CD2-CG1 4Å; L387-I391 WeakPolarHBondContact O-CG1 3.31Å; L387-I391 PolarHBondContact O-N 3Å; L388-I391 PolarHBondContact O-N 3.02Å; C389-I391 PolarHBondContact O-N 3.45Å; I391-P394 WeakPolarHBondContact O-CD 3.27Å
392S52.6Low51.3Low4 Ų450.6 Ų50.63%0.02825%0.25CS..Hα-helixtrans-74.3-27.8-179.564.70000114.8L388 C389 I395 H396 L460L388-S392 PolarHBondContact O-N 3.44Å; L388-S392 VanDerWaalsContact O-N 3.07Å; L388-S392 PolarHBondContact O-OG 3.14Å; C389-S392 WeakPolarHBondContact CA-OG 3.2Å; C389-S392 PolarHBondContact O-N 3.49Å; C389-S392 PolarHBondContact O-OG 3.17Å; S392-I395 WeakPolarHBondContact O-CB 3.48Å; S392-I395 PolarHBondContact O-N 2.99Å; S392-H396 PolarHBondContact O-CD2 2.75Å; S392-H396 PolarHBondContact O-N 3Å; S392-L460 WeakPolarHBondContact OG-CD1 3.32Å
393I50.8Low51.5Low65 Ų6547.7 Ų47.733%0.33324%0.241SC..Hα-helixtrans-58.8-49.8176-73163.3000111.5C389 F390 I395 H396 I397C389-I393 WeakPolarHBondContact O-CG1 3.47Å; C389-I393 PolarHBondContact O-N 3.09Å; C389-I393 VanDerWaalsContact O-N 3.09Å; F390-I393 HydrophobicContact CD1-CD1 4.12Å; I393-I395 VanDerWaalsContact C-N 3.28Å; I393-I395 PolarHBondContact O-N 3.44Å; I393-H396 PolarHBondContact O-N 3.27Å; I393-H396 VanDerWaalsContact O-N 3.15Å; I393-I397 HydrophobicContact CG2-CD1 3.81Å; I393-I397 WeakPolarHBondContact O-CG1 3.15Å; I393-I397 PolarHBondContact O-N 3.34Å
394P49.9Very low51.9Low62 Ų6250.3 Ų50.340%0.40325%0.25SC..Hα-helixtrans-50.5-40.6167.5-31.235.5000114.5F390 I391 I397 Y398F390-P394 WeakPolarHBondContact O-CD 3.37Å; F390-P394 WeakPolarHBondContact O-CG 3.43Å; I391-P394 WeakPolarHBondContact O-CD 3.27Å; P394-I397 PolarHBondContact O-N 2.91Å; P394-Y398 WeakPolarHBondContact O-CA 3.18Å; P394-Y398 WeakPolarHBondContact O-CB 3.42Å; P394-Y398 PolarHBondContact O-N 3.21Å
395I54Low52Low0 Ų050.2 Ų50.20%025%0.25CC..Hα-helixtrans-67.9-35.7179.1-59.6175.3000111.5L334 I338 S392 I393 Y398 Y399L334-I395 HydrophobicContact CB-CD1 3.93Å; L334-I395 HydrophobicContact CB-CG1 4.3Å; L334-I395 HydrophobicContact CD1-CG1 4.33Å; I338-I395 HydrophobicContact CD1-CD1 3.42Å; I338-I395 VanDerWaalsContact CD1-CD1 3.42Å; I338-I395 HydrophobicContact CG1-CD1 4.39Å; S392-I395 WeakPolarHBondContact O-CB 3.48Å; S392-I395 PolarHBondContact O-N 2.99Å; I393-I395 VanDerWaalsContact C-N 3.28Å; I393-I395 PolarHBondContact O-N 3.44Å; I395-Y398 WeakPolarHBondContact O-CB 3.02Å; I395-Y399 VanDerWaalsContact O-CB 3.32Å; I395-Y399 WeakPolarHBondContact O-CB 3.29Å; I395-Y399 PolarHBondContact O-N 3.23Å
396H53.8Low51.9Low58 Ų5850.2 Ų50.227%0.26925%0.25SC..Hα-helixtrans-73.3-38.8175-70.4-56.3000113S392 I393 Y399 H400 F457S392-H396 PolarHBondContact O-CD2 2.75Å; S392-H396 PolarHBondContact O-N 3Å; I393-H396 PolarHBondContact O-N 3.27Å; I393-H396 VanDerWaalsContact O-N 3.15Å; H396-Y399 PolarHBondContact O-N 3.03Å; H396-H400 PolarHBondContact O-N 2.88Å; H396-F457 AromaticContact CE1-CD2 3.87Å; H396-F457 AromaticContact NE2-CD2 3.87Å
397I51.5Low51.8Low73 Ų7350.1 Ų50.137%0.37425%0.254SS..Hα-helixtrans-64.1-46.1172.2-65.5168.4000109.9T180 I393 P394 Y399 H400 I401T180-I397 HydrophobicContact CG2-CD1 4.41Å; I393-I397 HydrophobicContact CG2-CD1 3.81Å; I393-I397 WeakPolarHBondContact O-CG1 3.15Å; I393-I397 PolarHBondContact O-N 3.34Å; P394-I397 PolarHBondContact O-N 2.91Å; I397-Y399 VanDerWaalsContact C-N 3.33Å; I397-Y399 PolarHBondContact O-N 2.77Å; I397-H400 PolarHBondContact O-N 2.7Å; I397-I401 HydrophobicContact CG2-CD1 3.88Å; I397-I401 WeakPolarHBondContact O-CG1 3.2Å; I397-I401 PolarHBondContact O-N 3.16Å
398Y55.3Low51.5Low34 Ų3450.5 Ų50.513%0.13326%0.257CS..Hα-helixtrans-53.3-48171.8171.5-74.6000111.2I327 N328 N331 P394 I395 H400 I401 N402I327-Y398 HydrophobicContact CB-CE2 4.31Å; I327-Y398 HydrophobicContact CG2-CD2 4.15Å; I327-Y398 HydrophobicContact CG2-CE2 3.25Å; I327-Y398 WeakPolarHBondContact CG2-OH 3.45Å; I327-Y398 WeakPolarHBondContact O-CE2 3.49Å; I327-Y398 PolarHBondContact O-OH 3.03Å; I327-Y398 VanDerWaalsContact O-OH 3.14Å; N328-Y398 WeakPolarHBondContact CA-OH 3.32Å; N328-Y398 PolarHBondContact N-OH 3.29Å; N328-Y398 PolarHBondContact OD1-OH 3.48Å; N331-Y398 HydrophobicContact CB-CE1 3.82Å; N331-Y398 HydrophobicContact CB-CE2 3.97Å; P394-Y398 WeakPolarHBondContact O-CA 3.18Å; P394-Y398 WeakPolarHBondContact O-CB 3.42Å; P394-Y398 PolarHBondContact O-N 3.21Å; I395-Y398 WeakPolarHBondContact O-CB 3.02Å; Y398-H400 VanDerWaalsContact C-N 3.35Å; Y398-H400 PolarHBondContact O-N 2.85Å; Y398-I401 CarbonylContact O-C 3.59Å; Y398-I401 PolarHBondContact O-N 3.07Å; Y398-I401 VanDerWaalsContact O-N 3.17Å; Y398-N402 HydrophobicContact CD1-CB 4.28Å; Y398-N402 HydrophobicContact CE1-CB 3.91Å; Y398-N402 VanDerWaalsContact O-CB 3.32Å; Y398-N402 WeakPolarHBondContact O-CB 3.47Å; Y398-N402 PolarHBondContact O-N 2.98Å; Y398-N402 PolarHBondContact OH-ND2 3.03Å
399Y55.5Low51.5Low62 Ų6251.9 Ų51.924%0.24326%0.264CS..Hα-helixtrans-59.9-44.2-178.6171-116.6000111.9I395 H396 I397 N402 N403 Y450 N453I395-Y399 VanDerWaalsContact O-CB 3.32Å; I395-Y399 WeakPolarHBondContact O-CB 3.29Å; I395-Y399 PolarHBondContact O-N 3.23Å; H396-Y399 PolarHBondContact O-N 3.03Å; I397-Y399 VanDerWaalsContact C-N 3.33Å; I397-Y399 PolarHBondContact O-N 2.77Å; Y399-N402 PolarHBondContact O-N 3.44Å; Y399-N403 VanDerWaalsContact CE2-ND2 3.31Å; Y399-N403 WeakPolarHBondContact CE2-ND2 3.44Å; Y399-N403 WeakPolarHBondContact CE2-OD1 3.37Å; Y399-N403 WeakPolarHBondContact O-CB 3.49Å; Y399-N403 PolarHBondContact O-N 2.82Å; Y399-N403 PolarHBondContact O-OD1 3.49Å; Y399-N403 PolarHBondContact OH-ND2 3.2Å; Y399-Y450 HydrophobicContact CE2-CD2 4.12Å; Y399-Y450 VanDerWaalsContact OH-CD2 3.3Å; Y399-Y450 WeakPolarHBondContact OH-CD2 3.45Å; Y399-Y450 VanDerWaalsContact OH-CE2 3.25Å; Y399-Y450 WeakPolarHBondContact OH-CE2 3.45Å; Y399-N453 HydrophobicContact CD2-CB 4.47Å; Y399-N453 WeakPolarHBondContact CD2-ND2 3.27Å
400H52.8Low51.3Low111 Ų11154.6 Ų54.651%0.51427%0.273SS..Hα-helixtrans-65.5-38.8176176.7-114.9000112.6H396 I397 Y398 K404H396-H400 PolarHBondContact O-N 2.88Å; I397-H400 PolarHBondContact O-N 2.7Å; Y398-H400 VanDerWaalsContact C-N 3.35Å; Y398-H400 PolarHBondContact O-N 2.85Å; H400-K404 WeakPolarHBondContact NE2-CE 3.18Å; H400-K404 PolarHBondContact O-N 3.44Å
401I51.6Low51.1Low75 Ų7556.8 Ų56.839%0.38529%0.287SS..Hα-helixtrans-65.7-46.7173.8-67.4168.1000110.8I397 Y398 N403 K404 L405I397-I401 HydrophobicContact CG2-CD1 3.88Å; I397-I401 WeakPolarHBondContact O-CG1 3.2Å; I397-I401 PolarHBondContact O-N 3.16Å; Y398-I401 CarbonylContact O-C 3.59Å; Y398-I401 PolarHBondContact O-N 3.07Å; Y398-I401 VanDerWaalsContact O-N 3.17Å; I401-N403 PolarHBondContact O-N 3Å; I401-K404 PolarHBondContact O-N 2.93Å; I401-L405 HydrophobicContact CG2-CD1 3.96Å; I401-L405 HydrophobicContact CG2-CG 4.41Å; I401-L405 WeakPolarHBondContact O-CG 3.18Å; I401-L405 PolarHBondContact O-N 2.89Å
402N53.1Low50.9Low7 Ų759 Ų594%0.03730%0.298CS..Hα-helixtrans-67.8-37.4-177.1-150.228.8000111Y324 N328 Y398 Y399 K404 L405 N406Y324-N402 WeakPolarHBondContact CD2-OD1 3.44Å; Y324-N402 VanDerWaalsContact CE2-OD1 3.31Å; Y324-N402 WeakPolarHBondContact CE2-OD1 3.39Å; N328-N402 PolarHBondContact OD1-ND2 2.77Å; Y398-N402 HydrophobicContact CD1-CB 4.28Å; Y398-N402 HydrophobicContact CE1-CB 3.91Å; Y398-N402 VanDerWaalsContact O-CB 3.32Å; Y398-N402 WeakPolarHBondContact O-CB 3.47Å; Y398-N402 PolarHBondContact O-N 2.98Å; Y398-N402 PolarHBondContact OH-ND2 3.03Å; Y399-N402 PolarHBondContact O-N 3.44Å; N402-K404 PolarHBondContact O-N 3.33Å; N402-L405 PolarHBondContact O-N 3.17Å; N402-N406 VanDerWaalsContact O-CB 3.25Å; N402-N406 WeakPolarHBondContact O-CB 3.37Å; N402-N406 PolarHBondContact O-N 3.49Å; N402-N406 PolarHBondContact O-ND2 2.97Å; N402-N406 VanDerWaalsContact O-ND2 3.09Å
403N51.2Low50.7Low35 Ų3561.3 Ų61.319%0.18731%0.31CS..Hα-helixtrans-61.1-43.4170.9-79.614.1000112Y399 I401 N406 C407Y399-N403 VanDerWaalsContact CE2-ND2 3.31Å; Y399-N403 WeakPolarHBondContact CE2-ND2 3.44Å; Y399-N403 WeakPolarHBondContact CE2-OD1 3.37Å; Y399-N403 WeakPolarHBondContact O-CB 3.49Å; Y399-N403 PolarHBondContact O-N 2.82Å; Y399-N403 PolarHBondContact O-OD1 3.49Å; Y399-N403 PolarHBondContact OH-ND2 3.2Å; I401-N403 PolarHBondContact O-N 3Å; N403-N406 PolarHBondContact O-N 3.08Å; N403-C407 PolarHBondContact O-N 3.31Å; N403-C407 PolarHBondContact O-SG 3.43Å; N403-C407 VanDerWaalsContact O-SG 3.35Å
404K52Low50.6Low124 Ų12462.8 Ų62.854%0.53932%0.316SS..Hα-helixtrans-64.5-39.1175-74.9-172.3175-174.40112.5H400 I401 N402 L408H400-K404 WeakPolarHBondContact NE2-CE 3.18Å; H400-K404 PolarHBondContact O-N 3.44Å; I401-K404 PolarHBondContact O-N 2.93Å; N402-K404 PolarHBondContact O-N 3.33Å; K404-L408 WeakPolarHBondContact O-CB 3.33Å; K404-L408 WeakPolarHBondContact O-CG 3.4Å; K404-L408 PolarHBondContact O-N 2.85Å; K404-L408 VanDerWaalsContact O-N 3.1Å
405L50.3Low50.2Low57 Ų5766.1 Ų66.130%0.29832%0.324SS..Hα-helixtrans-65.3-38.5173.2-71.1171.7000112.3I401 N402 L408 L409I401-L405 HydrophobicContact CG2-CD1 3.96Å; I401-L405 HydrophobicContact CG2-CG 4.41Å; I401-L405 WeakPolarHBondContact O-CG 3.18Å; I401-L405 PolarHBondContact O-N 2.89Å; N402-L405 PolarHBondContact O-N 3.17Å; L405-L408 WeakPolarHBondContact O-CB 3.27Å; L405-L408 PolarHBondContact O-N 3.44Å; L405-L409 WeakPolarHBondContact O-CB 3.25Å; L405-L409 PolarHBondContact O-N 3.37Å
406N49Very low49.9Very low9 Ų969.2 Ų69.25%0.04834%0.341CS..Hα-helixtrans-74.6-37.6-179.7-71.4-28.2000112.4Y324 N402 N403 L408 L409 F410 Y446Y324-N406 WeakPolarHBondContact CE2-OD1 3.42Å; N402-N406 VanDerWaalsContact O-CB 3.25Å; N402-N406 WeakPolarHBondContact O-CB 3.37Å; N402-N406 PolarHBondContact O-N 3.49Å; N402-N406 PolarHBondContact O-ND2 2.97Å; N402-N406 VanDerWaalsContact O-ND2 3.09Å; N403-N406 PolarHBondContact O-N 3.08Å; N406-L408 VanDerWaalsContact C-N 3.32Å; N406-L408 PolarHBondContact O-N 2.85Å; N406-L409 PolarHBondContact O-N 3.48Å; N406-F410 VanDerWaalsContact O-CB 3.23Å; N406-F410 WeakPolarHBondContact O-CB 3.41Å; N406-F410 PolarHBondContact O-N 2.85Å; N406-Y446 HydrophobicContact CB-CD2 4.3Å; N406-Y446 HydrophobicContact CB-CE2 4.22Å; N406-Y446 WeakPolarHBondContact ND2-CD2 3.15Å
407C47.2Very low49.5Very low74 Ų7469.6 Ų69.650%0.534%0.344SS..Hα-helixtrans-61.2-41.1168-68.90000111.4N403 N411N403-C407 PolarHBondContact O-N 3.31Å; N403-C407 PolarHBondContact O-SG 3.43Å; N403-C407 VanDerWaalsContact O-SG 3.35Å; C407-N411 WeakPolarHBondContact O-CB 3.38Å; C407-N411 PolarHBondContact O-N 3.32Å; C407-N411 PolarHBondContact O-OD1 3.47Å
408L44.4Very low49.5Very low93 Ų9372 Ų7249%0.48735%0.354SS..Hα-helixtrans-62.9-45.5173.4-82.6165.3000112.2K404 L405 N406 I412K404-L408 WeakPolarHBondContact O-CB 3.33Å; K404-L408 WeakPolarHBondContact O-CG 3.4Å; K404-L408 PolarHBondContact O-N 2.85Å; K404-L408 VanDerWaalsContact O-N 3.1Å; L405-L408 WeakPolarHBondContact O-CB 3.27Å; L405-L408 PolarHBondContact O-N 3.44Å; N406-L408 VanDerWaalsContact C-N 3.32Å; N406-L408 PolarHBondContact O-N 2.85Å; L408-I412 WeakPolarHBondContact O-CD1 3.27Å; L408-I412 VanDerWaalsContact O-CG1 3.24Å; L408-I412 WeakPolarHBondContact O-CG1 3.2Å; L408-I412 PolarHBondContact O-N 2.92Å
409L50.9Low49Very low35 Ų3573.8 Ų73.818%0.18337%0.366CS..Hα-helixtrans-66.5-41.4179.7-159.486.5000111.8L321 L405 N406 I412 N413 F442L321-L409 HydrophobicContact CD2-CD1 3.92Å; L321-L409 HydrophobicContact CD2-CD2 4.04Å; L405-L409 WeakPolarHBondContact O-CB 3.25Å; L405-L409 PolarHBondContact O-N 3.37Å; N406-L409 PolarHBondContact O-N 3.48Å; L409-I412 PolarHBondContact O-N 3.31Å; L409-N413 WeakPolarHBondContact O-CB 3.4Å; L409-N413 VanDerWaalsContact O-CG 3.31Å; L409-N413 PolarHBondContact O-N 2.94Å; L409-F442 HydrophobicContact CD2-CD2 4.24Å; L409-F442 HydrophobicContact CD2-CE1 4.3Å; L409-F442 HydrophobicContact CD2-CE2 3.42Å; L409-F442 VanDerWaalsContact CD2-CE2 3.42Å; L409-F442 HydrophobicContact CD2-CZ 3.47Å; L409-F442 VanDerWaalsContact CD2-CZ 3.47Å
410F47.9Very low48.6Very low84 Ų8475.4 Ų75.437%0.36838%0.379SS..Hα-helixtrans-65.7-42.3178.2-170.6-102.5000111.6N406 I412 N413 Q414 H443N406-F410 VanDerWaalsContact O-CB 3.23Å; N406-F410 WeakPolarHBondContact O-CB 3.41Å; N406-F410 PolarHBondContact O-N 2.85Å; F410-I412 PolarHBondContact O-N 2.93Å; F410-N413 PolarHBondContact O-N 3.11Å; F410-Q414 HydrophobicContact CD1-CG 4.26Å; F410-Q414 VanDerWaalsContact CE1-CD 3.49Å; F410-Q414 HydrophobicContact CE1-CG 3.94Å; F410-Q414 VanDerWaalsContact CE1-NE2 3.3Å; F410-Q414 HydrophobicContact CZ-CG 4.17Å; F410-Q414 PolarHBondContact O-N 3.07Å; F410-H443 AromaticContact CD2-CE1 3.96Å; F410-H443 AromaticContact CE2-CE1 3.63Å; F410-H443 AromaticContact CE2-NE2 3.86Å
411N46.1Very low48.5Very low101 Ų10175 Ų7554%0.5438%0.38SS..Hα-helixtrans-61.8-42.3173.6-70.85000111.7C407 F415C407-N411 WeakPolarHBondContact O-CB 3.38Å; C407-N411 PolarHBondContact O-N 3.32Å; C407-N411 PolarHBondContact O-OD1 3.47Å; N411-F415 WeakPolarHBondContact O-CB 3.35Å; N411-F415 PolarHBondContact O-N 3.31Å
412I49.3Very low48.4Very low77 Ų7778.9 Ų78.940%0.39540%0.397SS..Hα-helixtrans-63.6-43.2175.3-70.3164.3000111L408 L409 F410 F415 N416L408-I412 WeakPolarHBondContact O-CD1 3.27Å; L408-I412 VanDerWaalsContact O-CG1 3.24Å; L408-I412 WeakPolarHBondContact O-CG1 3.2Å; L408-I412 PolarHBondContact O-N 2.92Å; L409-I412 PolarHBondContact O-N 3.31Å; F410-I412 PolarHBondContact O-N 2.93Å; I412-F415 PolarHBondContact O-N 3.03Å; I412-N416 WeakPolarHBondContact O-CB 3.36Å; I412-N416 PolarHBondContact O-N 3.28Å; I412-N416 PolarHBondContact O-ND2 3.27Å
413N48.8Very low48.3Very low51 Ų5185.8 Ų85.827%0.27343%0.427SS..Hα-helixtrans-70.8-36.3-179.6-73.2-2.6000112.4L409 F410 N417L409-N413 WeakPolarHBondContact O-CB 3.4Å; L409-N413 VanDerWaalsContact O-CG 3.31Å; L409-N413 PolarHBondContact O-N 2.94Å; F410-N413 PolarHBondContact O-N 3.11Å; N413-N417 VanDerWaalsContact O-CB 3.25Å; N413-N417 WeakPolarHBondContact O-CB 3.36Å; N413-N417 PolarHBondContact O-N 3Å; N413-N417 PolarHBondContact O-OD1 3.33Å
414Q47.9Very low48Very low97 Ų9788.6 Ų88.645%0.45344%0.442SS..Hα-helixtrans-63.1-44.7170.6-77.2-163.4-27.900111.5F410 N417 Q418F410-Q414 HydrophobicContact CD1-CG 4.26Å; F410-Q414 VanDerWaalsContact CE1-CD 3.49Å; F410-Q414 HydrophobicContact CE1-CG 3.94Å; F410-Q414 VanDerWaalsContact CE1-NE2 3.3Å; F410-Q414 HydrophobicContact CZ-CG 4.17Å; F410-Q414 PolarHBondContact O-N 3.07Å; Q414-N417 PolarHBondContact O-N 3.46Å; Q414-Q418 WeakPolarHBondContact O-CB 3.3Å; Q414-Q418 WeakPolarHBondContact O-CG 3.49Å; Q414-Q418 PolarHBondContact O-N 3.29Å
415F42.4Very low47.8Very low132 Ų13289.2 Ų89.258%0.57945%0.451SS*.Hα-helixtrans-63.2-44.7178.2-160-91.9000111.8N411 I412 Q418 L419N411-F415 WeakPolarHBondContact O-CB 3.35Å; N411-F415 PolarHBondContact O-N 3.31Å; I412-F415 PolarHBondContact O-N 3.03Å; F415-Q418 PolarHBondContact O-N 3.06Å; F415-L419 HydrophobicContact CD1-CD1 3.9Å; F415-L419 HydrophobicContact CE1-CD1 3.8Å; F415-L419 PolarHBondContact O-N 3.43Å
416N46.7Very low47.8Very low65 Ų6596.2 Ų96.235%0.34848%0.482SS..Hα-helixtrans-65.4-37.9175.5-71.9-12.8000112.6I412 L419 N420I412-N416 WeakPolarHBondContact O-CB 3.36Å; I412-N416 PolarHBondContact O-N 3.28Å; I412-N416 PolarHBondContact O-ND2 3.27Å; N416-L419 WeakPolarHBondContact O-CB 3.47Å; N416-L419 PolarHBondContact O-N 3.34Å; N416-N420 WeakPolarHBondContact O-CB 3.41Å; N416-N420 VanDerWaalsContact O-CG 3.31Å; N416-N420 PolarHBondContact O-N 3.45Å
417N46.8Very low47.8Very low65 Ų65100.2 Ų100.235%0.34851%0.511SS..Hα-helixtrans-71.9-34.3176.9-74.70.6000111.9N413 Q414 N420 N421N413-N417 VanDerWaalsContact O-CB 3.25Å; N413-N417 WeakPolarHBondContact O-CB 3.36Å; N413-N417 PolarHBondContact O-N 3Å; N413-N417 PolarHBondContact O-OD1 3.33Å; Q414-N417 PolarHBondContact O-N 3.46Å; N417-N420 PolarHBondContact O-N 3.23Å; N417-N421 WeakPolarHBondContact O-CB 3.25Å; N417-N421 PolarHBondContact O-N 3.36Å; N417-N421 PolarHBondContact O-ND2 3.46Å
418Q50.6Low47.8Very low124 Ų12498.4 Ų98.458%0.57950%0.496SS*.Hα-helixtrans-62.2-44.9170.1-75.5174-14.400111.1Q414 F415 Q422Q414-Q418 WeakPolarHBondContact O-CB 3.3Å; Q414-Q418 WeakPolarHBondContact O-CG 3.49Å; Q414-Q418 PolarHBondContact O-N 3.29Å; F415-Q418 PolarHBondContact O-N 3.06Å; Q418-Q422 WeakPolarHBondContact O-CG 3.31Å; Q418-Q422 PolarHBondContact O-N 3.49Å; Q418-Q422 VanDerWaalsContact O-N 3.1Å
419L45.3Very low48Very low71 Ų71100.2 Ų100.237%0.37251%0.506SS..Hα-helixtrans-59.7-50.3172.9-101.9153.9000112.7F415 N416 N421 Q422 F423F415-L419 HydrophobicContact CD1-CD1 3.9Å; F415-L419 HydrophobicContact CE1-CD1 3.8Å; F415-L419 PolarHBondContact O-N 3.43Å; N416-L419 WeakPolarHBondContact O-CB 3.47Å; N416-L419 PolarHBondContact O-N 3.34Å; L419-N421 PolarHBondContact O-N 2.9Å; L419-Q422 WeakPolarHBondContact O-CB 3.37Å; L419-Q422 PolarHBondContact O-N 2.98Å; L419-F423 HydrophobicContact CD2-CD2 4.28Å; L419-F423 HydrophobicContact CD2-CE2 4.28Å; L419-F423 WeakPolarHBondContact O-CD2 3.48Å; L419-F423 PolarHBondContact O-N 3.32Å
420N46.1Very low47.8Very low97 Ų97106.4 Ų106.452%0.51953%0.534SS..Hα-helixtrans-66-38.5-178.4-74.5-18.1000112.6N416 N417 Q422 F423 N424N416-N420 WeakPolarHBondContact O-CB 3.41Å; N416-N420 VanDerWaalsContact O-CG 3.31Å; N416-N420 PolarHBondContact O-N 3.45Å; N417-N420 PolarHBondContact O-N 3.23Å; N420-Q422 VanDerWaalsContact C-N 3.28Å; N420-Q422 PolarHBondContact O-N 3Å; N420-F423 PolarHBondContact O-N 3.03Å; N420-F423 VanDerWaalsContact O-N 3.11Å; N420-N424 PolarHBondContact O-N 3.28Å
421N50.6Low47.6Very low101 Ų101105.7 Ų105.754%0.5453%0.534SS..Hα-helixtrans-68.9-25.4175.7-70.6-8.7000112.7N417 L419N417-N421 WeakPolarHBondContact O-CB 3.25Å; N417-N421 PolarHBondContact O-N 3.36Å; N417-N421 PolarHBondContact O-ND2 3.46Å; L419-N421 PolarHBondContact O-N 2.9Å
422Q50Low47.7Very low157 Ų157104 Ų10473%0.73453%0.525SS*.Hα-helixtrans-74.7-26.3169.6-77.7-178.7-1800112.9Q418 L419 N420Q418-Q422 WeakPolarHBondContact O-CG 3.31Å; Q418-Q422 PolarHBondContact O-N 3.49Å; Q418-Q422 VanDerWaalsContact O-N 3.1Å; L419-Q422 WeakPolarHBondContact O-CB 3.37Å; L419-Q422 PolarHBondContact O-N 2.98Å; N420-Q422 VanDerWaalsContact C-N 3.28Å; N420-Q422 PolarHBondContact O-N 3Å
423F50.2Low47.5Very low152 Ų152105 Ų10567%0.66753%0.531SS*.Hα-helixtrans-106.7-21.2-168.6-91.5-78.8000117.5L419 N420L419-F423 HydrophobicContact CD2-CD2 4.28Å; L419-F423 HydrophobicContact CD2-CE2 4.28Å; L419-F423 WeakPolarHBondContact O-CD2 3.48Å; L419-F423 PolarHBondContact O-N 3.32Å; N420-F423 PolarHBondContact O-N 3.03Å; N420-F423 VanDerWaalsContact O-N 3.11Å
424N44.9Very low47.5Very low94 Ų94108.6 Ų108.650%0.50355%0.546SS..  trans-141.673.6-175.5-81.7-69.8000115.8N420 Q426 N428N420-N424 PolarHBondContact O-N 3.28Å; N424-Q426 PolarHBondContact O-N 3.37Å; N424-N428 WeakPolarHBondContact CB-ND2 3.46Å; N424-N428 PolarHBondContact O-ND2 3.12Å
425N49.6Very low47.6Very low138 Ų138107.4 Ų107.474%0.73854%0.54SS*.  trans-90.286.1165.4-77.9-38.9000111.7
426Q49.2Very low47.9Very low203 Ų203105 Ų10595%0.94953%0.533SS*.SBendtrans-175.8-28.4146.9-106.2158.923.300116N424N424-Q426 PolarHBondContact O-N 3.37Å
427S48.3Very low48.1Very low93 Ų93106.2 Ų106.265%0.6554%0.539SS*.SBendtrans-106.9-3.3-169.250.90000116.1
428N47Very low48.6Very low37 Ų37104.2 Ų104.220%0.19853%0.531CS..  trans-97.16.8-159.6-80.2-28.8000117.3N424 Q430 L431 N432N424-N428 WeakPolarHBondContact CB-ND2 3.46Å; N424-N428 PolarHBondContact O-ND2 3.12Å; N428-Q430 PolarHBondContact O-N 3.41Å; N428-L431 PolarHBondContact O-N 2.82Å; N428-L431 VanDerWaalsContact O-N 3.1Å; N428-L431 WeakPolarHBondContact OD1-CD1 3.37Å; N428-N432 VanDerWaalsContact O-CB 3.31Å; N428-N432 WeakPolarHBondContact O-CB 3.34Å; N428-N432 PolarHBondContact O-N 2.85Å
429N50.2Low48.8Very low131 Ų131100.1 Ų100.170%0.70151%0.512SS*.Hα-helixtrans-59.6-37.3-172.2-76.40.3000114.9N433N429-N433 WeakPolarHBondContact O-CB 3.43Å; N429-N433 VanDerWaalsContact O-CG 3.22Å; N429-N433 PolarHBondContact O-N 2.93Å; N429-N433 PolarHBondContact O-OD1 3.28Å
430Q45.4Very low49.4Very low165 Ų165100.2 Ų100.277%0.77151%0.513SS*.Hα-helixtrans-74.1-38.3174.6-71.7-176.4-12.500112.6N428 N433 Q434N428-Q430 PolarHBondContact O-N 3.41Å; Q430-N433 PolarHBondContact O-N 3.38Å; Q430-Q434 PolarHBondContact O-N 3.01Å
431L45.1Very low49.9Very low69 Ų6997.3 Ų97.336%0.36150%0.498SS..Hα-helixtrans-66.4-46.4176.9-78164.5000111.5Y315 N428 N433 Q434 F435Y315-L431 WeakPolarHBondContact OH-CD2 3.35Å; N428-L431 PolarHBondContact O-N 2.82Å; N428-L431 VanDerWaalsContact O-N 3.1Å; N428-L431 WeakPolarHBondContact OD1-CD1 3.37Å; L431-N433 VanDerWaalsContact C-N 3.3Å; L431-N433 PolarHBondContact O-N 3.26Å; L431-Q434 PolarHBondContact O-N 3.08Å; L431-F435 WeakPolarHBondContact O-CB 3.32Å; L431-F435 WeakPolarHBondContact O-CD2 3.37Å; L431-F435 PolarHBondContact O-N 3.23Å
432N46.4Very low50.2Low64 Ų6493.6 Ų93.634%0.34248%0.476SS..Hα-helixtrans-60.7-37.8175.3-74.4-2.6000111.5N428 N436N428-N432 VanDerWaalsContact O-CB 3.31Å; N428-N432 WeakPolarHBondContact O-CB 3.34Å; N428-N432 PolarHBondContact O-N 2.85Å; N432-N436 WeakPolarHBondContact O-CB 3.45Å; N432-N436 PolarHBondContact O-N 2.89Å; N432-N436 PolarHBondContact O-ND2 3.23Å
433N46Very low50.5Low100 Ų10089 Ų8954%0.53546%0.455SS..Hα-helixtrans-65-47.8173.4-74.4-0.2000111.5N429 Q430 L431 F435 N436 D437N429-N433 WeakPolarHBondContact O-CB 3.43Å; N429-N433 VanDerWaalsContact O-CG 3.22Å; N429-N433 PolarHBondContact O-N 2.93Å; N429-N433 PolarHBondContact O-OD1 3.28Å; Q430-N433 PolarHBondContact O-N 3.38Å; L431-N433 VanDerWaalsContact C-N 3.3Å; L431-N433 PolarHBondContact O-N 3.26Å; N433-F435 PolarHBondContact O-N 2.9Å; N433-N436 PolarHBondContact O-N 2.94Å; N433-D437 WeakPolarHBondContact O-CB 3.39Å; N433-D437 VanDerWaalsContact O-CG 3.25Å; N433-D437 PolarHBondContact O-N 3.05Å
434Q49.6Very low51Low125 Ų12588.7 Ų88.758%0.58445%0.45SS*.Hα-helixtrans-63.9-36.8176.4-70.9-178.6-700113.2Q430 L431 S438Q430-Q434 PolarHBondContact O-N 3.01Å; L431-Q434 PolarHBondContact O-N 3.08Å; Q434-S438 PolarHBondContact O-N 3.41Å
435F49Very low51.8Low72 Ų7284.3 Ų84.332%0.31643%0.427SS..Hα-helixtrans-67.6-44.8173.4-90.3-70.5000111.4Y315 L431 N433 D437 S438 I439Y315-F435 HydrophobicContact CD1-CZ 4.04Å; Y315-F435 AromaticContact CE1-CE2 3.95Å; Y315-F435 HydrophobicContact CE1-CE2 3.95Å; Y315-F435 AromaticContact CE1-CZ 3.56Å; Y315-F435 HydrophobicContact CE1-CZ 3.56Å; Y315-F435 HydrophobicContact CE2-CE2 4.37Å; Y315-F435 HydrophobicContact CE2-CZ 4.1Å; Y315-F435 AromaticContact CZ-CE2 3.68Å; Y315-F435 AromaticContact CZ-CZ 3.59Å; Y315-F435 WeakPolarHBondContact OH-CE2 3.44Å; L431-F435 WeakPolarHBondContact O-CB 3.32Å; L431-F435 WeakPolarHBondContact O-CD2 3.37Å; L431-F435 PolarHBondContact O-N 3.23Å; N433-F435 PolarHBondContact O-N 2.9Å; F435-D437 VanDerWaalsContact C-N 3.33Å; F435-D437 PolarHBondContact O-N 2.76Å; F435-S438 PolarHBondContact O-N 3.01Å; F435-S438 PolarHBondContact O-OG 2.99Å; F435-I439 WeakPolarHBondContact O-CB 3.31Å; F435-I439 VanDerWaalsContact O-CG1 3.27Å; F435-I439 WeakPolarHBondContact O-CG1 3.21Å; F435-I439 PolarHBondContact O-N 3Å
436N49.2Very low52.2Low81 Ų8181 Ų8143%0.43341%0.405SS..Hα-helixtrans-59.7-42.5173.7-75-21.6000111.3N432 N433 S438 I439 N440N432-N436 WeakPolarHBondContact O-CB 3.45Å; N432-N436 PolarHBondContact O-N 2.89Å; N432-N436 PolarHBondContact O-ND2 3.23Å; N433-N436 PolarHBondContact O-N 2.94Å; N436-S438 VanDerWaalsContact C-N 3.35Å; N436-S438 PolarHBondContact O-N 3.48Å; N436-I439 PolarHBondContact O-N 2.95Å; N436-N440 VanDerWaalsContact O-CB 3.25Å; N436-N440 WeakPolarHBondContact O-CB 3.45Å; N436-N440 PolarHBondContact O-N 3.25Å; N436-N440 PolarHBondContact O-ND2 3.48Å; N436-N440 VanDerWaalsContact O-ND2 3.15Å
437D50.9Low52.8Low91 Ų9175 Ų7549%0.48738%0.379SS..Hα-helixtrans-60.6-43.6174.6-71.4-25.9000111.2N433 F435 N440 L441N433-D437 WeakPolarHBondContact O-CB 3.39Å; N433-D437 VanDerWaalsContact O-CG 3.25Å; N433-D437 PolarHBondContact O-N 3.05Å; F435-D437 VanDerWaalsContact C-N 3.33Å; F435-D437 PolarHBondContact O-N 2.76Å; D437-N440 PolarHBondContact O-N 3.35Å; D437-L441 WeakPolarHBondContact O-CB 3.11Å; D437-L441 PolarHBondContact O-N 2.86Å
438S56.5Low53.3Low24 Ų2472.2 Ų72.217%0.16836%0.357CS..Hα-helixtrans-66.8-35.7176.577.70000113.3Q434 F435 N436 L441 F442Q434-S438 PolarHBondContact O-N 3.41Å; F435-S438 PolarHBondContact O-N 3.01Å; F435-S438 PolarHBondContact O-OG 2.99Å; N436-S438 VanDerWaalsContact C-N 3.35Å; N436-S438 PolarHBondContact O-N 3.48Å; S438-L441 PolarHBondContact O-N 3.48Å; S438-F442 WeakPolarHBondContact O-CB 3.48Å; S438-F442 PolarHBondContact O-N 3.26Å
439I55.3Low53.9Low37 Ų3770.8 Ų70.819%0.1935%0.349CS..Hα-helixtrans-72.5-38.8176.4-70.9165.7000110.3F435 N436 F442 H443F435-I439 WeakPolarHBondContact O-CB 3.31Å; F435-I439 VanDerWaalsContact O-CG1 3.27Å; F435-I439 WeakPolarHBondContact O-CG1 3.21Å; F435-I439 PolarHBondContact O-N 3Å; N436-I439 PolarHBondContact O-N 2.95Å; I439-F442 PolarHBondContact O-N 3.38Å; I439-H443 WeakPolarHBondContact O-CB 3.38Å; I439-H443 PolarHBondContact O-CD2 2.9Å; I439-H443 PolarHBondContact O-N 2.86Å
440N57.4Low54.5Low73 Ų7369.7 Ų69.739%0.3934%0.335SS..Hα-helixtrans-63.4-43.5171.6-72.1-27.7000110.7N436 D437 F442 H443 Y444N436-N440 VanDerWaalsContact O-CB 3.25Å; N436-N440 WeakPolarHBondContact O-CB 3.45Å; N436-N440 PolarHBondContact O-N 3.25Å; N436-N440 PolarHBondContact O-ND2 3.48Å; N436-N440 VanDerWaalsContact O-ND2 3.15Å; D437-N440 PolarHBondContact O-N 3.35Å; N440-F442 PolarHBondContact O-N 3.46Å; N440-H443 PolarHBondContact O-N 3.34Å; N440-Y444 HydrophobicContact CB-CE2 4.27Å; N440-Y444 WeakPolarHBondContact O-CD2 3.49Å; N440-Y444 PolarHBondContact O-N 2.91Å
441L57.4Low55.4Low37 Ų3766.6 Ų66.619%0.19432%0.32CS..Hα-helixtrans-60.2-44.7175.1-140.778.2000111.5I304 F307 E308 D437 S438 H443 Y444 G445I304-L441 HydrophobicContact CG2-CG 4.3Å; F307-L441 HydrophobicContact CB-CD2 3.92Å; E308-L441 HydrophobicContact CG-CD2 4Å; D437-L441 WeakPolarHBondContact O-CB 3.11Å; D437-L441 PolarHBondContact O-N 2.86Å; S438-L441 PolarHBondContact O-N 3.48Å; L441-H443 PolarHBondContact O-N 3.2Å; L441-Y444 PolarHBondContact O-N 2.94Å; L441-G445 PolarHBondContact O-N 2.93Å
442F56.1Low56.3Low22 Ų2263.3 Ų63.310%0.09630%0.302CS..Hα-helixtrans-60.9-41.6173.4176.3-91.3000112.1Y324 L409 S438 I439 N440 G445 Y446Y324-F442 HydrophobicContact CD1-CE2 4.44Å; Y324-F442 AromaticContact CE1-CD2 3.95Å; Y324-F442 HydrophobicContact CE1-CD2 3.95Å; Y324-F442 AromaticContact CE1-CE2 3.54Å; Y324-F442 HydrophobicContact CE1-CE2 3.54Å; Y324-F442 HydrophobicContact CE2-CE2 4.41Å; Y324-F442 AromaticContact CZ-CE2 3.5Å; Y324-F442 WeakPolarHBondContact OH-CE2 3.39Å; L409-F442 HydrophobicContact CD2-CD2 4.24Å; L409-F442 HydrophobicContact CD2-CE1 4.3Å; L409-F442 HydrophobicContact CD2-CE2 3.42Å; L409-F442 VanDerWaalsContact CD2-CE2 3.42Å; L409-F442 HydrophobicContact CD2-CZ 3.47Å; L409-F442 VanDerWaalsContact CD2-CZ 3.47Å; S438-F442 WeakPolarHBondContact O-CB 3.48Å; S438-F442 PolarHBondContact O-N 3.26Å; I439-F442 PolarHBondContact O-N 3.38Å; N440-F442 PolarHBondContact O-N 3.46Å; F442-G445 PolarHBondContact O-N 3.45Å; F442-Y446 WeakPolarHBondContact O-CB 3.3Å; F442-Y446 PolarHBondContact O-N 3.17Å
443H55.7Low57.2Low61 Ų6160.5 Ų60.528%0.28229%0.288SS..Hα-helixtrans-65.2-42174.7-78.8-55.4000112.5F410 I439 N440 L441 Y446 I447F410-H443 AromaticContact CD2-CE1 3.96Å; F410-H443 AromaticContact CE2-CE1 3.63Å; F410-H443 AromaticContact CE2-NE2 3.86Å; I439-H443 WeakPolarHBondContact O-CB 3.38Å; I439-H443 PolarHBondContact O-CD2 2.9Å; I439-H443 PolarHBondContact O-N 2.86Å; N440-H443 PolarHBondContact O-N 3.34Å; L441-H443 PolarHBondContact O-N 3.2Å; H443-Y446 PolarHBondContact O-N 3.49Å; H443-I447 WeakPolarHBondContact O-CB 3.32Å; H443-I447 WeakPolarHBondContact O-CD1 3.38Å; H443-I447 WeakPolarHBondContact O-CG1 3.44Å; H443-I447 PolarHBondContact O-N 2.74Å
444Y60.9Low58.3Low145 Ų14561.5 Ų61.557%0.56929%0.285SS*.Hα-helixtrans-61.9-43.1172.3-69-56.1000111.5N440 L441 Y446 I447 L448N440-Y444 HydrophobicContact CB-CE2 4.27Å; N440-Y444 WeakPolarHBondContact O-CD2 3.49Å; N440-Y444 PolarHBondContact O-N 2.91Å; L441-Y444 PolarHBondContact O-N 2.94Å; Y444-Y446 PolarHBondContact O-N 3.39Å; Y444-I447 PolarHBondContact O-N 3.17Å; Y444-L448 WeakPolarHBondContact O-CB 3.48Å; Y444-L448 WeakPolarHBondContact O-CD1 3.46Å; Y444-L448 WeakPolarHBondContact O-CG 3.3Å; Y444-L448 PolarHBondContact O-N 3.4Å
445G61.7Low59.1Low2 Ų257.6 Ų57.62%0.02127%0.266CS..Hα-helixtrans-59.9-42.7174.100000112.9L441 F442 N449L441-G445 PolarHBondContact O-N 2.93Å; F442-G445 PolarHBondContact O-N 3.45Å; G445-N449 WeakPolarHBondContact O-CB 3.38Å; G445-N449 PolarHBondContact O-N 2.87Å; G445-N449 PolarHBondContact O-ND2 2.85Å
446Y58Low59.9Low68 Ų6854.3 Ų54.327%0.26725%0.252SS..Hα-helixtrans-64.1-48.6174.6177.1-106.4000112.1N406 F442 H443 Y444 L448 N449 Y450N406-Y446 HydrophobicContact CB-CD2 4.3Å; N406-Y446 HydrophobicContact CB-CE2 4.22Å; N406-Y446 WeakPolarHBondContact ND2-CD2 3.15Å; F442-Y446 WeakPolarHBondContact O-CB 3.3Å; F442-Y446 PolarHBondContact O-N 3.17Å; H443-Y446 PolarHBondContact O-N 3.49Å; Y444-Y446 PolarHBondContact O-N 3.39Å; Y446-L448 VanDerWaalsContact C-N 3.33Å; Y446-L448 PolarHBondContact O-N 3.44Å; Y446-N449 PolarHBondContact O-N 3Å; Y446-Y450 PolarHBondContact O-N 3.14Å
447I61.9Low60.6Low78 Ų7855 Ų5540%0.425%0.251SS..Hα-helixtrans-60.8-41.9179.2-71.3165.2000111H443 Y444 Y450 F451H443-I447 WeakPolarHBondContact O-CB 3.32Å; H443-I447 WeakPolarHBondContact O-CD1 3.38Å; H443-I447 WeakPolarHBondContact O-CG1 3.44Å; H443-I447 PolarHBondContact O-N 2.74Å; Y444-I447 PolarHBondContact O-N 3.17Å; I447-Y450 WeakPolarHBondContact O-CB 3.4Å; I447-Y450 PolarHBondContact O-N 3.23Å; I447-F451 HydrophobicContact CG2-CD2 3.66Å; I447-F451 HydrophobicContact CG2-CE2 3.6Å; I447-F451 VanDerWaalsContact O-CD2 3.28Å; I447-F451 WeakPolarHBondContact O-CD2 3.32Å; I447-F451 PolarHBondContact O-N 3.46Å
448L59.3Low61.4Low35 Ų3552.8 Ų52.818%0.18324%0.239CC..Hα-helixtrans-70.1-38177.9-73.9163000112.6L297 I301 I304 Y444 Y446 Y450 S452L297-L448 HydrophobicContact CD2-CD2 3.51Å; I301-L448 HydrophobicContact CG1-CB 4.19Å; I304-L448 HydrophobicContact CD1-CD1 3.27Å; Y444-L448 WeakPolarHBondContact O-CB 3.48Å; Y444-L448 WeakPolarHBondContact O-CD1 3.46Å; Y444-L448 WeakPolarHBondContact O-CG 3.3Å; Y444-L448 PolarHBondContact O-N 3.4Å; Y446-L448 VanDerWaalsContact C-N 3.33Å; Y446-L448 PolarHBondContact O-N 3.44Å; L448-Y450 VanDerWaalsContact C-N 3.35Å; L448-S452 WeakPolarHBondContact O-CB 3.29Å; L448-S452 PolarHBondContact O-N 3.25Å
449N60.8Low61.8Low6 Ų651.7 Ų51.73%0.03223%0.231CC..Hα-helixtrans-61.4-42.2170-85.2-78.5000111.6N331 G445 Y446 S452 N453N331-N449 PolarHBondContact ND2-OD1 3.34Å; G445-N449 WeakPolarHBondContact O-CB 3.38Å; G445-N449 PolarHBondContact O-N 2.87Å; G445-N449 PolarHBondContact O-ND2 2.85Å; Y446-N449 PolarHBondContact O-N 3Å; N449-S452 PolarHBondContact O-N 3.48Å; N449-N453 WeakPolarHBondContact O-CB 3.41Å; N449-N453 PolarHBondContact O-N 2.99Å; N449-N453 PolarHBondContact O-ND2 2.97Å
450Y62.6Low62.3Low108 Ų10851.5 Ų51.542%0.42423%0.23SC..Hα-helixtrans-60.9-52.2176.3179.4-87.4000111.8Y399 Y446 I447 L448 S452 N453 Y454Y399-Y450 HydrophobicContact CE2-CD2 4.12Å; Y399-Y450 VanDerWaalsContact OH-CD2 3.3Å; Y399-Y450 WeakPolarHBondContact OH-CD2 3.45Å; Y399-Y450 VanDerWaalsContact OH-CE2 3.25Å; Y399-Y450 WeakPolarHBondContact OH-CE2 3.45Å; Y446-Y450 PolarHBondContact O-N 3.14Å; I447-Y450 WeakPolarHBondContact O-CB 3.4Å; I447-Y450 PolarHBondContact O-N 3.23Å; L448-Y450 VanDerWaalsContact C-N 3.35Å; Y450-S452 VanDerWaalsContact C-N 3.35Å; Y450-S452 PolarHBondContact O-N 3.39Å; Y450-N453 PolarHBondContact O-N 3.33Å; Y450-Y454 PolarHBondContact O-N 2.87Å
451F63.5Low62.6Low100 Ų10051.3 Ų51.344%0.43923%0.229SC..Hα-helixtrans-61.3-42177.2-82.6-63000112.4I447 N453 Y454 F455I447-F451 HydrophobicContact CG2-CD2 3.66Å; I447-F451 HydrophobicContact CG2-CE2 3.6Å; I447-F451 VanDerWaalsContact O-CD2 3.28Å; I447-F451 WeakPolarHBondContact O-CD2 3.32Å; I447-F451 PolarHBondContact O-N 3.46Å; F451-N453 PolarHBondContact O-N 2.93Å; F451-Y454 WeakPolarHBondContact O-CB 3.46Å; F451-Y454 PolarHBondContact O-N 3.43Å; F451-F455 HydrophobicContact CB-CE2 4.42Å; F451-F455 HydrophobicContact CD1-CE2 4.49Å; F451-F455 WeakPolarHBondContact O-CD2 3.5Å; F451-F455 PolarHBondContact O-N 3.01Å
452S64.9Low62.8Low0 Ų051 Ų510%023%0.227CC..Hα-helixtrans-58.5-46.1177.2-176.80000112.2L294 V335 L448 N449 Y450 Y454 F455 S456L294-S452 WeakPolarHBondContact CD2-O 3.16Å; V335-S452 WeakPolarHBondContact CG1-OG 3.47Å; V335-S452 WeakPolarHBondContact CG2-OG 3.28Å; L448-S452 WeakPolarHBondContact O-CB 3.29Å; L448-S452 PolarHBondContact O-N 3.25Å; N449-S452 PolarHBondContact O-N 3.48Å; Y450-S452 VanDerWaalsContact C-N 3.35Å; Y450-S452 PolarHBondContact O-N 3.39Å; S452-Y454 VanDerWaalsContact C-N 3.33Å; S452-Y454 PolarHBondContact O-N 3.01Å; S452-F455 PolarHBondContact O-N 3.45Å; S452-S456 PolarHBondContact O-N 3.35Å
453N64.7Low63.2Low6 Ų650.3 Ų50.33%0.03223%0.225CC..Hα-helixtrans-70.7-29.6179.6-65.3-11.4000112.4Y399 N449 Y450 F451 S456 F457Y399-N453 HydrophobicContact CD2-CB 4.47Å; Y399-N453 WeakPolarHBondContact CD2-ND2 3.27Å; N449-N453 WeakPolarHBondContact O-CB 3.41Å; N449-N453 PolarHBondContact O-N 2.99Å; N449-N453 PolarHBondContact O-ND2 2.97Å; Y450-N453 PolarHBondContact O-N 3.33Å; F451-N453 PolarHBondContact O-N 2.93Å; N453-S456 WeakPolarHBondContact CA-OG 3.36Å; N453-S456 PolarHBondContact O-OG 3.44Å; N453-F457 PolarHBondContact O-N 3.37Å; N453-F457 VanDerWaalsContact O-N 3.17Å
454Y70.1Confident63.5Low121 Ų12150.5 Ų50.548%0.47523%0.227SC..Hα-helixtrans-67-44.7171-178.6-101000111.7Y450 F451 S452 F457 L458Y450-Y454 PolarHBondContact O-N 2.87Å; F451-Y454 WeakPolarHBondContact O-CB 3.46Å; F451-Y454 PolarHBondContact O-N 3.43Å; S452-Y454 VanDerWaalsContact C-N 3.33Å; S452-Y454 PolarHBondContact O-N 3.01Å; Y454-F457 WeakPolarHBondContact O-CB 3.44Å; Y454-F457 PolarHBondContact O-N 3.27Å; Y454-L458 HydrophobicContact CD1-CD1 4.03Å; Y454-L458 HydrophobicContact CE1-CD1 3.5Å; Y454-L458 VanDerWaalsContact CE1-CD1 3.5Å; Y454-L458 HydrophobicContact CE1-CG 4.24Å; Y454-L458 PolarHBondContact O-N 3.42Å; Y454-L458 VanDerWaalsContact O-N 3.08Å
455F64.3Low63.4Low43 Ų4346.1 Ų46.119%0.18922%0.217CC..Hα-helixtrans-67.6-34.6175.3-73.6-60.7000112.9F290 I293 L294 L297 F451 S452 F457 L458 I459F290-F455 AromaticContact CD1-CD1 3.68Å; F290-F455 HydrophobicContact CD1-CD1 3.68Å; F290-F455 AromaticContact CD1-CE1 3.9Å; F290-F455 HydrophobicContact CD1-CE1 3.9Å; F290-F455 AromaticContact CE1-CD1 3.87Å; F290-F455 HydrophobicContact CE1-CD1 3.87Å; F290-F455 AromaticContact CE1-CE1 3.72Å; F290-F455 HydrophobicContact CE1-CE1 3.72Å; I293-F455 HydrophobicContact CG2-CD2 3.91Å; I293-F455 HydrophobicContact CG2-CE2 3.98Å; I293-F455 HydrophobicContact CG2-CG 4.28Å; I293-F455 HydrophobicContact CG2-CZ 4.39Å; L294-F455 HydrophobicContact CD2-CB 3.53Å; L294-F455 HydrophobicContact CG-CB 4.38Å; L297-F455 HydrophobicContact CD1-CD2 3.55Å; L297-F455 HydrophobicContact CD1-CE2 4.03Å; F451-F455 HydrophobicContact CB-CE2 4.42Å; F451-F455 HydrophobicContact CD1-CE2 4.49Å; F451-F455 WeakPolarHBondContact O-CD2 3.5Å; F451-F455 PolarHBondContact O-N 3.01Å; S452-F455 PolarHBondContact O-N 3.45Å; F455-F457 VanDerWaalsContact C-N 3.33Å; F455-F457 PolarHBondContact O-N 3.34Å; F455-L458 HydrophobicContact CD1-CD1 4.34Å; F455-L458 PolarHBondContact O-N 2.97Å; F455-I459 WeakPolarHBondContact O-CG1 3.45Å; F455-I459 PolarHBondContact O-N 2.81Å
456S66.3Low63.1Low3 Ų347.3 Ų47.32%0.02123%0.225CC..Hα-helixtrans-66-36.8175.369.80000112S452 N453 I459 L460S452-S456 PolarHBondContact O-N 3.35Å; N453-S456 WeakPolarHBondContact CA-OG 3.36Å; N453-S456 PolarHBondContact O-OG 3.44Å; S456-I459 PolarHBondContact O-N 3.22Å; S456-L460 PolarHBondContact O-N 3.01Å
457F65.2Low63.1Low95 Ų9544.8 Ų44.842%0.41722%0.217SC..Hα-helixtrans-63.4-45.3172.1-171.8-117.1000112.3H396 N453 Y454 F455 I459 L460 I461H396-F457 AromaticContact CE1-CD2 3.87Å; H396-F457 AromaticContact NE2-CD2 3.87Å; N453-F457 PolarHBondContact O-N 3.37Å; N453-F457 VanDerWaalsContact O-N 3.17Å; Y454-F457 WeakPolarHBondContact O-CB 3.44Å; Y454-F457 PolarHBondContact O-N 3.27Å; F455-F457 VanDerWaalsContact C-N 3.33Å; F455-F457 PolarHBondContact O-N 3.34Å; F457-I459 PolarHBondContact O-N 3.46Å; F457-L460 PolarHBondContact O-N 2.89Å; F457-I461 HydrophobicContact CD1-CD1 3.89Å; F457-I461 HydrophobicContact CE1-CD1 3.46Å; F457-I461 VanDerWaalsContact CE1-CD1 3.46Å; F457-I461 HydrophobicContact CE1-CG1 4.47Å; F457-I461 HydrophobicContact CE2-CD1 4.42Å; F457-I461 HydrophobicContact CZ-CD1 3.76Å; F457-I461 HydrophobicContact CZ-CG1 4.43Å; F457-I461 PolarHBondContact O-N 3.41Å
458L66.8Low62.8Low45 Ų4547.7 Ų47.724%0.23623%0.227CC..Hα-helixtrans-62.4-40175.9-72.3178.8000112.4Y454 F455 I461 L462Y454-L458 HydrophobicContact CD1-CD1 4.03Å; Y454-L458 HydrophobicContact CE1-CD1 3.5Å; Y454-L458 VanDerWaalsContact CE1-CD1 3.5Å; Y454-L458 HydrophobicContact CE1-CG 4.24Å; Y454-L458 PolarHBondContact O-N 3.42Å; Y454-L458 VanDerWaalsContact O-N 3.08Å; F455-L458 HydrophobicContact CD1-CD1 4.34Å; F455-L458 PolarHBondContact O-N 2.97Å; L458-I461 PolarHBondContact O-N 3.5Å; L458-L462 WeakPolarHBondContact O-CB 3.46Å; L458-L462 VanDerWaalsContact O-CG 3.27Å; L458-L462 WeakPolarHBondContact O-CG 2.98Å; L458-L462 PolarHBondContact O-N 2.86Å
459I65.6Low62.6Low1 Ų148.7 Ų48.71%0.00523%0.231CC..Hα-helixtrans-64.4-41173.4-69.1-178.7000111I287 F290 L294 F455 S456 F457 L462 L463I287-I459 HydrophobicContact CG2-CG2 4.43Å; F290-I459 HydrophobicContact CB-CD1 3.69Å; F290-I459 HydrophobicContact CB-CG1 3.6Å; L294-I459 HydrophobicContact CD1-CD1 3.58Å; L294-I459 HydrophobicContact CG-CD1 3.87Å; F455-I459 WeakPolarHBondContact O-CG1 3.45Å; F455-I459 PolarHBondContact O-N 2.81Å; S456-I459 PolarHBondContact O-N 3.22Å; F457-I459 PolarHBondContact O-N 3.46Å; I459-L462 PolarHBondContact O-N 3.02Å; I459-L463 HydrophobicContact CG2-CD1 3.7Å; I459-L463 HydrophobicContact CG2-CG 4.05Å; I459-L463 WeakPolarHBondContact O-CB 3.45Å; I459-L463 VanDerWaalsContact O-CG 3.28Å; I459-L463 WeakPolarHBondContact O-CG 3.48Å; I459-L463 PolarHBondContact O-N 3.29Å
460L64.6Low62.2Low32 Ų3249.3 Ų49.317%0.16824%0.235CC..Hα-helixtrans-61.6-44.8176.2177138.4000111.8C389 S392 S456 F457 L462 L463 L464C389-L460 HydrophobicContact CB-CD1 4.36Å; S392-L460 WeakPolarHBondContact OG-CD1 3.32Å; S456-L460 PolarHBondContact O-N 3.01Å; F457-L460 PolarHBondContact O-N 2.89Å; L460-L462 PolarHBondContact O-N 2.92Å; L460-L463 PolarHBondContact O-N 2.97Å; L460-L464 HydrophobicContact CD2-CD1 3.67Å; L460-L464 HydrophobicContact CD2-CG 4.49Å; L460-L464 HydrophobicContact CG-CD1 4.28Å; L460-L464 WeakPolarHBondContact O-CB 3.23Å; L460-L464 WeakPolarHBondContact O-CG 3.37Å; L460-L464 PolarHBondContact O-N 3.33Å
461I64.6Low61.6Low69 Ų6947 Ų4735%0.35423%0.23SC..Hα-helixtrans-60.4-46174.2-70.2173000110.6F457 L458 L463 L464 C465F457-I461 HydrophobicContact CD1-CD1 3.89Å; F457-I461 HydrophobicContact CE1-CD1 3.46Å; F457-I461 VanDerWaalsContact CE1-CD1 3.46Å; F457-I461 HydrophobicContact CE1-CG1 4.47Å; F457-I461 HydrophobicContact CE2-CD1 4.42Å; F457-I461 HydrophobicContact CZ-CD1 3.76Å; F457-I461 HydrophobicContact CZ-CG1 4.43Å; F457-I461 PolarHBondContact O-N 3.41Å; L458-I461 PolarHBondContact O-N 3.5Å; I461-L463 PolarHBondContact O-N 2.89Å; I461-L464 PolarHBondContact O-N 3.33Å; I461-C465 WeakPolarHBondContact O-CB 3.43Å; I461-C465 PolarHBondContact O-N 3.32Å; I461-C465 PolarHBondContact O-SG 3.07Å; I461-C465 VanDerWaalsContact O-SG 3.32Å
462L62.4Low61Low30 Ų3049 Ų4916%0.15724%0.235CC..Hα-helixtrans-66.2-35.7179.7-72.2167.7000112.8L286 I287 F290 L458 I459 L460 C465 C466L286-L462 HydrophobicContact CD2-CD1 3.94Å; L286-L462 HydrophobicContact CD2-CD2 4.05Å; L286-L462 HydrophobicContact CG-CD1 4.33Å; I287-L462 HydrophobicContact CD1-CB 3.86Å; I287-L462 HydrophobicContact CG1-CB 3.76Å; I287-L462 HydrophobicContact CG1-CD1 4.13Å; I287-L462 HydrophobicContact CG1-CG 4.47Å; F290-L462 HydrophobicContact CD2-CD1 3.65Å; F290-L462 HydrophobicContact CE2-CD1 3.69Å; L458-L462 WeakPolarHBondContact O-CB 3.46Å; L458-L462 VanDerWaalsContact O-CG 3.27Å; L458-L462 WeakPolarHBondContact O-CG 2.98Å; L458-L462 PolarHBondContact O-N 2.86Å; I459-L462 PolarHBondContact O-N 3.02Å; L460-L462 PolarHBondContact O-N 2.92Å; L462-C465 PolarHBondContact O-N 2.99Å; L462-C466 PolarHBondContact O-N 3.09Å; L462-C466 PolarHBondContact O-SG 2.95Å
463L64.4Low60.3Low9 Ų951.8 Ų51.85%0.04725%0.25CC..Hα-helixtrans-68.5-40.9173.2-74.7172.7000111.7L388 I459 L460 I461 C466 T467L388-L463 HydrophobicContact CD1-CD1 4.1Å; I459-L463 HydrophobicContact CG2-CD1 3.7Å; I459-L463 HydrophobicContact CG2-CG 4.05Å; I459-L463 WeakPolarHBondContact O-CB 3.45Å; I459-L463 VanDerWaalsContact O-CG 3.28Å; I459-L463 WeakPolarHBondContact O-CG 3.48Å; I459-L463 PolarHBondContact O-N 3.29Å; L460-L463 PolarHBondContact O-N 2.97Å; I461-L463 PolarHBondContact O-N 2.89Å; L463-C466 WeakPolarHBondContact O-CB 3.46Å; L463-C466 PolarHBondContact O-N 3.31Å; L463-T467 PolarHBondContact O-N 3.15Å
464L61.1Low59.6Low64 Ų6452.7 Ų52.734%0.33525%0.253SS..Hα-helixtrans-61.6-46.6172.2-74.7172.5000110.7L460 I461 C466 T467 F468L460-L464 HydrophobicContact CD2-CD1 3.67Å; L460-L464 HydrophobicContact CD2-CG 4.49Å; L460-L464 HydrophobicContact CG-CD1 4.28Å; L460-L464 WeakPolarHBondContact O-CB 3.23Å; L460-L464 WeakPolarHBondContact O-CG 3.37Å; L460-L464 PolarHBondContact O-N 3.33Å; I461-L464 PolarHBondContact O-N 3.33Å; L464-C466 VanDerWaalsContact C-N 3.31Å; L464-C466 PolarHBondContact O-N 3.22Å; L464-T467 WeakPolarHBondContact CA-OG1 3.31Å; L464-T467 CarbonylContact O-C 3.58Å; L464-T467 WeakPolarHBondContact O-CA 3.18Å; L464-T467 PolarHBondContact O-N 3.4Å; L464-T467 PolarHBondContact O-OG1 3.24Å; L464-F468 VanDerWaalsContact O-CD2 3.22Å; L464-F468 WeakPolarHBondContact O-CD2 3.3Å; L464-F468 PolarHBondContact O-N 3.47Å
465C57.8Low58.5Low54 Ų5451.4 Ų51.437%0.36525%0.254SS..Hα-helixtrans-57.3-41.6172.5-72.60000112.1I461 L462 T467 F468 I469I461-C465 WeakPolarHBondContact O-CB 3.43Å; I461-C465 PolarHBondContact O-N 3.32Å; I461-C465 PolarHBondContact O-SG 3.07Å; I461-C465 VanDerWaalsContact O-SG 3.32Å; L462-C465 PolarHBondContact O-N 2.99Å; C465-T467 PolarHBondContact O-N 3.27Å; C465-F468 PolarHBondContact O-N 3.08Å; C465-I469 WeakPolarHBondContact O-CB 3.25Å; C465-I469 WeakPolarHBondContact O-CD1 3.32Å; C465-I469 VanDerWaalsContact O-CG1 3.23Å; C465-I469 WeakPolarHBondContact O-CG1 3.39Å; C465-I469 PolarHBondContact O-N 3.46Å
466C57.3Low57.6Low27 Ų2754.4 Ų54.418%0.18227%0.267CS..Hα-helixtrans-58.5-44170.4-82.50000112.3L283 I287 L462 L463 L464 I469 D470L283-C466 WeakPolarHBondContact CD2-SG 3.49Å; I287-C466 VanDerWaalsContact CD1-SG 3.56Å; L462-C466 PolarHBondContact O-N 3.09Å; L462-C466 PolarHBondContact O-SG 2.95Å; L463-C466 WeakPolarHBondContact O-CB 3.46Å; L463-C466 PolarHBondContact O-N 3.31Å; L464-C466 VanDerWaalsContact C-N 3.31Å; L464-C466 PolarHBondContact O-N 3.22Å; C466-I469 PolarHBondContact O-N 3.09Å; C466-D470 VanDerWaalsContact O-CB 3.32Å; C466-D470 WeakPolarHBondContact O-CB 3.48Å; C466-D470 PolarHBondContact O-N 3.5Å
467T58Low56.5Low15 Ų1558.1 Ų58.19%0.09228%0.283CS..Hα-helixtrans-66.6-38.2176.758.90000113I385 L463 L464 C465 D470 L471I385-T467 HydrophobicContact CB-CG2 4.37Å; I385-T467 HydrophobicContact CD1-CG2 3.48Å; I385-T467 VanDerWaalsContact CD1-CG2 3.48Å; I385-T467 HydrophobicContact CG1-CG2 4.38Å; I385-T467 HydrophobicContact CG2-CG2 3.8Å; L463-T467 PolarHBondContact O-N 3.15Å; L464-T467 WeakPolarHBondContact CA-OG1 3.31Å; L464-T467 CarbonylContact O-C 3.58Å; L464-T467 WeakPolarHBondContact O-CA 3.18Å; L464-T467 PolarHBondContact O-N 3.4Å; L464-T467 PolarHBondContact O-OG1 3.24Å; C465-T467 PolarHBondContact O-N 3.27Å; T467-D470 PolarHBondContact O-N 3.25Å; T467-L471 WeakPolarHBondContact O-CB 3.25Å; T467-L471 WeakPolarHBondContact O-CD1 3.44Å; T467-L471 WeakPolarHBondContact O-CG 3.33Å; T467-L471 PolarHBondContact O-N 3.02Å
468F55.2Low55.6Low139 Ų13959.3 Ų59.361%0.6129%0.289SS*.Hα-helixtrans-68.1-38.2175.8-78-66.5000112L464 C465 Y472L464-F468 VanDerWaalsContact O-CD2 3.22Å; L464-F468 WeakPolarHBondContact O-CD2 3.3Å; L464-F468 PolarHBondContact O-N 3.47Å; C465-F468 PolarHBondContact O-N 3.08Å; F468-Y472 WeakPolarHBondContact O-CB 3.48Å; F468-Y472 PolarHBondContact O-N 3.31Å
469I54.1Low54.5Low55 Ų5562 Ų6228%0.28230%0.304SS..Hα-helixtrans-67.4-45174.5-69165000110.7F279 L283 C465 C466 Y472 I473F279-I469 HydrophobicContact CE1-CD1 4.21Å; L283-I469 HydrophobicContact CD1-CD1 3.99Å; C465-I469 WeakPolarHBondContact O-CB 3.25Å; C465-I469 WeakPolarHBondContact O-CD1 3.32Å; C465-I469 VanDerWaalsContact O-CG1 3.23Å; C465-I469 WeakPolarHBondContact O-CG1 3.39Å; C465-I469 PolarHBondContact O-N 3.46Å; C466-I469 PolarHBondContact O-N 3.09Å; I469-Y472 PolarHBondContact O-N 3.34Å; I469-I473 HydrophobicContact CG2-CD1 3.75Å; I469-I473 HydrophobicContact CG2-CG1 4.5Å; I469-I473 WeakPolarHBondContact O-CB 3.13Å; I469-I473 VanDerWaalsContact O-CG1 3.23Å; I469-I473 WeakPolarHBondContact O-CG1 3.46Å; I469-I473 PolarHBondContact O-N 3.25Å
470D52.7Low53.5Low20 Ų2065.8 Ų65.811%0.10732%0.324CS..Hα-helixtrans-66.4-43.2176.8-170.518.5000111.3F349 C466 T467 Y472 I473 R474F349-D470 WeakPolarHBondContact CE1-OD2 3.34Å; C466-D470 VanDerWaalsContact O-CB 3.32Å; C466-D470 WeakPolarHBondContact O-CB 3.48Å; C466-D470 PolarHBondContact O-N 3.5Å; T467-D470 PolarHBondContact O-N 3.25Å; D470-Y472 PolarHBondContact O-N 2.94Å; D470-I473 PolarHBondContact O-N 2.84Å; D470-R474 VanDerWaalsContact O-CB 3.22Å; D470-R474 WeakPolarHBondContact O-CB 3.33Å; D470-R474 WeakPolarHBondContact O-CD 3.42Å; D470-R474 WeakPolarHBondContact O-CG 3.28Å; D470-R474 PolarHBondContact O-N 3.17Å; D470-R474 IonicContact OD1-CZ 2.85Å; D470-R474 IonicContact OD1-NE 3.98Å; D470-R474 PolarHBondContact OD1-NE 3.49Å; D470-R474 IonicContact OD1-NH2 2.62Å; D470-R474 IonicContact OD2-CZ 2.95Å; D470-R474 VanDerWaalsContact OD2-CZ 3.22Å; D470-R474 IonicContact OD2-NE 3.85Å; D470-R474 PolarHBondContact OD2-NE 3.48Å; D470-R474 IonicContact OD2-NH2 2.62Å; D470-R474 PolarHBondContact OD2-NH2 3.09Å
471L50.3Low52.4Low59 Ų5967.3 Ų67.331%0.30933%0.332SS..Hα-helixtrans-58.6-44.6171.3-81.1164000112Y382 T467 R474 N475Y382-L471 HydrophobicContact CE1-CD1 4.28Å; Y382-L471 HydrophobicContact CE1-CD2 3.93Å; Y382-L471 HydrophobicContact CE1-CG 3.99Å; Y382-L471 WeakPolarHBondContact OH-CD2 3.35Å; T467-L471 WeakPolarHBondContact O-CB 3.25Å; T467-L471 WeakPolarHBondContact O-CD1 3.44Å; T467-L471 WeakPolarHBondContact O-CG 3.33Å; T467-L471 PolarHBondContact O-N 3.02Å; L471-R474 PolarHBondContact O-N 3.09Å; L471-N475 VanDerWaalsContact O-CB 3.26Å; L471-N475 WeakPolarHBondContact O-CB 3.31Å; L471-N475 PolarHBondContact O-N 3.26Å
472Y50.5Low51.4Low142 Ų14271.1 Ų71.156%0.55735%0.346SS*.Hα-helixtrans-63.6-45.9177.2177.1-95.8000111.4F468 I469 D470 N475 K476F468-Y472 WeakPolarHBondContact O-CB 3.48Å; F468-Y472 PolarHBondContact O-N 3.31Å; I469-Y472 PolarHBondContact O-N 3.34Å; D470-Y472 PolarHBondContact O-N 2.94Å; Y472-N475 PolarHBondContact O-N 2.9Å; Y472-K476 HydrophobicContact CE1-CD 3.79Å; Y472-K476 WeakPolarHBondContact O-CB 3.21Å; Y472-K476 PolarHBondContact O-N 2.73Å; Y472-K476 PolarHBondContact OH-NZ 2.77Å
473I50.6Low50.5Low59 Ų5973.7 Ų73.730%0.30336%0.359SS..Hα-helixtrans-62.8-44.5176.3-70.2168.2000110.5F353 I469 D470 K476 F477F353-I473 HydrophobicContact CZ-CG2 4.46Å; I469-I473 HydrophobicContact CG2-CD1 3.75Å; I469-I473 HydrophobicContact CG2-CG1 4.5Å; I469-I473 WeakPolarHBondContact O-CB 3.13Å; I469-I473 VanDerWaalsContact O-CG1 3.23Å; I469-I473 WeakPolarHBondContact O-CG1 3.46Å; I469-I473 PolarHBondContact O-N 3.25Å; D470-I473 PolarHBondContact O-N 2.84Å; I473-K476 PolarHBondContact O-N 3.34Å; I473-F477 WeakPolarHBondContact O-CB 3.45Å; I473-F477 PolarHBondContact O-N 3.13Å
474R49Very low49.4Very low25 Ų2578 Ų789%0.09438%0.382CS..Hα-helixtrans-61.6-49.3176.5-75.9168.1-172.5-126.211.6112.1F377 Y382 D470 L471 F477 Q478F377-R474 HydrophobicContact CD1-CG 3.76Å; F377-R474 HydrophobicContact CE1-CG 3.63Å; F377-R474 PolarHBondContact O-NH1 2.93Å; Y382-R474 WeakPolarHBondContact OH-CD 3.37Å; D470-R474 VanDerWaalsContact O-CB 3.22Å; D470-R474 WeakPolarHBondContact O-CB 3.33Å; D470-R474 WeakPolarHBondContact O-CD 3.42Å; D470-R474 WeakPolarHBondContact O-CG 3.28Å; D470-R474 PolarHBondContact O-N 3.17Å; D470-R474 IonicContact OD1-CZ 2.85Å; D470-R474 IonicContact OD1-NE 3.98Å; D470-R474 PolarHBondContact OD1-NE 3.49Å; D470-R474 IonicContact OD1-NH2 2.62Å; D470-R474 IonicContact OD2-CZ 2.95Å; D470-R474 VanDerWaalsContact OD2-CZ 3.22Å; D470-R474 IonicContact OD2-NE 3.85Å; D470-R474 PolarHBondContact OD2-NE 3.48Å; D470-R474 IonicContact OD2-NH2 2.62Å; D470-R474 PolarHBondContact OD2-NH2 3.09Å; L471-R474 PolarHBondContact O-N 3.09Å; R474-F477 PolarHBondContact O-N 3.35Å; R474-Q478 WeakPolarHBondContact O-CG 3.42Å; R474-Q478 PolarHBondContact O-N 3.08Å
475N47.4Very low48.5Very low93 Ų9377.4 Ų77.450%0.49738%0.384SS..Hα-helixtrans-64.3-43.9179.5-72.8-5.9000110.5L471 Y472 F477 Q478 L479L471-N475 VanDerWaalsContact O-CB 3.26Å; L471-N475 WeakPolarHBondContact O-CB 3.31Å; L471-N475 PolarHBondContact O-N 3.26Å; Y472-N475 PolarHBondContact O-N 2.9Å; N475-F477 VanDerWaalsContact C-N 3.3Å; N475-F477 PolarHBondContact O-N 3.46Å; N475-Q478 PolarHBondContact O-N 3.3Å; N475-L479 WeakPolarHBondContact O-CB 3.24Å; N475-L479 PolarHBondContact O-N 2.75Å
476K46.7Very low47.5Very low106 Ų10681.4 Ų81.446%0.46140%0.395SS..Hα-helixtrans-63.3-35174.5-165.6170-168.4168.30112.3Y472 I473 N480Y472-K476 HydrophobicContact CE1-CD 3.79Å; Y472-K476 WeakPolarHBondContact O-CB 3.21Å; Y472-K476 PolarHBondContact O-N 2.73Å; Y472-K476 PolarHBondContact OH-NZ 2.77Å; I473-K476 PolarHBondContact O-N 3.34Å; K476-N480 VanDerWaalsContact O-CB 3.27Å; K476-N480 WeakPolarHBondContact O-CB 3.44Å; K476-N480 PolarHBondContact O-N 2.78Å
477F43.2Very low46.2Very low82 Ų8285.7 Ų85.736%0.3641%0.412SS..Hα-helixtrans-72.7-42.5175.1-170.4-103.7000112.4I473 R474 N475 N480 L481I473-F477 WeakPolarHBondContact O-CB 3.45Å; I473-F477 PolarHBondContact O-N 3.13Å; R474-F477 PolarHBondContact O-N 3.35Å; N475-F477 VanDerWaalsContact C-N 3.3Å; N475-F477 PolarHBondContact O-N 3.46Å; F477-N480 PolarHBondContact O-N 2.84Å; F477-L481 HydrophobicContact CD1-CD1 3.8Å; F477-L481 HydrophobicContact CD1-CG 4.39Å; F477-L481 HydrophobicContact CE1-CD1 3.6Å; F477-L481 HydrophobicContact CE1-CG 4.23Å; F477-L481 HydrophobicContact CZ-CD1 4.36Å; F477-L481 WeakPolarHBondContact O-CB 3.37Å; F477-L481 WeakPolarHBondContact O-CG 3.41Å; F477-L481 PolarHBondContact O-N 3.12Å
478Q46.3Very low45.2Very low119 Ų11990.3 Ų90.356%0.55643%0.433SS*.Hα-helixtrans-63.3-40.7172.6-74.5-170.38.100111.9R474 N475 L481 K482R474-Q478 WeakPolarHBondContact O-CG 3.42Å; R474-Q478 PolarHBondContact O-N 3.08Å; N475-Q478 PolarHBondContact O-N 3.3Å; Q478-L481 WeakPolarHBondContact O-CB 3.47Å; Q478-L481 PolarHBondContact O-N 3.45Å; Q478-K482 WeakPolarHBondContact O-CG 3.4Å; Q478-K482 PolarHBondContact O-N 3.06Å
479L43.6Very low44.6Very low102 Ų10288.5 Ų88.553%0.53443%0.429SS..Hα-helixtrans-69.4-41.4178.7-158.9158.7000110.5N475 L481 K482 L483N475-L479 WeakPolarHBondContact O-CB 3.24Å; N475-L479 PolarHBondContact O-N 2.75Å; L479-L481 VanDerWaalsContact C-N 3.34Å; L479-L481 PolarHBondContact O-N 2.62Å; L479-K482 PolarHBondContact O-N 3.28Å; L479-L483 HydrophobicContact CD2-CD1 3.54Å; L479-L483 HydrophobicContact CD2-CG 3.94Å; L479-L483 WeakPolarHBondContact O-CB 3.23Å; L479-L483 WeakPolarHBondContact O-CG 3.49Å; L479-L483 PolarHBondContact O-N 3.35Å
480N42.8Very low43.7Very low81 Ų8191.6 Ų91.643%0.43345%0.445SS..Hα-helixtrans-63.2-36.3169.7-76.1-6.3000112.9K476 F477 N484K476-N480 VanDerWaalsContact O-CB 3.27Å; K476-N480 WeakPolarHBondContact O-CB 3.44Å; K476-N480 PolarHBondContact O-N 2.78Å; F477-N480 PolarHBondContact O-N 2.84Å; N480-N484 WeakPolarHBondContact O-CB 3.35Å; N480-N484 VanDerWaalsContact O-CG 3.26Å; N480-N484 PolarHBondContact O-N 3.29Å
481L41.7Very low42.9Very low64 Ų6497.2 Ų97.234%0.33548%0.475SS..Hα-helixtrans-65-45.3172.9-79.1172.1000111.3F477 Q478 L479 N484 S485F477-L481 HydrophobicContact CD1-CD1 3.8Å; F477-L481 HydrophobicContact CD1-CG 4.39Å; F477-L481 HydrophobicContact CE1-CD1 3.6Å; F477-L481 HydrophobicContact CE1-CG 4.23Å; F477-L481 HydrophobicContact CZ-CD1 4.36Å; F477-L481 WeakPolarHBondContact O-CB 3.37Å; F477-L481 WeakPolarHBondContact O-CG 3.41Å; F477-L481 PolarHBondContact O-N 3.12Å; Q478-L481 WeakPolarHBondContact O-CB 3.47Å; Q478-L481 PolarHBondContact O-N 3.45Å; L479-L481 VanDerWaalsContact C-N 3.34Å; L479-L481 PolarHBondContact O-N 2.62Å; L481-N484 PolarHBondContact O-N 3.1Å; L481-S485 PolarHBondContact O-N 2.87Å; L481-S485 PolarHBondContact O-OG 3.04Å; L481-S485 VanDerWaalsContact O-OG 3.09Å
482K45Very low42.2Very low148 Ų148100.2 Ų100.264%0.64349%0.491SS*.Hα-helixtrans-60.4-46.6174.9-77.6-173.6176.1-173.30111.5Q478 L479 S485 F486Q478-K482 WeakPolarHBondContact O-CG 3.4Å; Q478-K482 PolarHBondContact O-N 3.06Å; L479-K482 PolarHBondContact O-N 3.28Å; K482-S485 WeakPolarHBondContact CA-OG 3.45Å; K482-S485 PolarHBondContact O-N 3.49Å; K482-S485 PolarHBondContact O-OG 2.83Å; K482-F486 WeakPolarHBondContact O-CB 3.43Å; K482-F486 PolarHBondContact O-N 2.91Å
483L42.2Very low41.2Very low84 Ų8497.8 Ų97.844%0.4449%0.488SS..Hα-helixtrans-61.8-40.8175.6-76.9173.6000112.3L479 F486 H487L479-L483 HydrophobicContact CD2-CD1 3.54Å; L479-L483 HydrophobicContact CD2-CG 3.94Å; L479-L483 WeakPolarHBondContact O-CB 3.23Å; L479-L483 WeakPolarHBondContact O-CG 3.49Å; L479-L483 PolarHBondContact O-N 3.35Å; L483-F486 PolarHBondContact O-N 3.32Å; L483-H487 WeakPolarHBondContact O-CB 3.21Å; L483-H487 PolarHBondContact O-N 2.94Å
484N40.8Very low40.3Very low99 Ų99100.3 Ų100.353%0.52951%0.508SS..Hα-helixtrans-66-41.1175.9-77.6-2.4000111.7N480 L481 F486 H487 Q488N480-N484 WeakPolarHBondContact O-CB 3.35Å; N480-N484 VanDerWaalsContact O-CG 3.26Å; N480-N484 PolarHBondContact O-N 3.29Å; L481-N484 PolarHBondContact O-N 3.1Å; N484-F486 VanDerWaalsContact C-N 3.34Å; N484-H487 PolarHBondContact O-N 2.97Å; N484-Q488 WeakPolarHBondContact O-CB 3.38Å; N484-Q488 WeakPolarHBondContact O-CG 3.42Å; N484-Q488 PolarHBondContact O-N 3.16Å
485S43.2Very low39.8Very low53 Ų53105.1 Ų105.137%0.37153%0.534SS..Hα-helixtrans-65.8-35.2171.847.20000112.8L481 K482 Q488 L489L481-S485 PolarHBondContact O-N 2.87Å; L481-S485 PolarHBondContact O-OG 3.04Å; L481-S485 VanDerWaalsContact O-OG 3.09Å; K482-S485 WeakPolarHBondContact CA-OG 3.45Å; K482-S485 PolarHBondContact O-N 3.49Å; K482-S485 PolarHBondContact O-OG 2.83Å; S485-Q488 PolarHBondContact O-N 3.09Å; S485-L489 WeakPolarHBondContact O-CB 3.03Å; S485-L489 WeakPolarHBondContact O-CG 3.35Å; S485-L489 PolarHBondContact O-N 3.42Å
486F36.2Very low39.3Very low138 Ų138110.8 Ų110.861%0.60556%0.555SS**Hα-helixtrans-67.7-40.9174.9-115.2-85000112.1K482 L483 N484 L489 L490K482-F486 WeakPolarHBondContact O-CB 3.43Å; K482-F486 PolarHBondContact O-N 2.91Å; L483-F486 PolarHBondContact O-N 3.32Å; N484-F486 VanDerWaalsContact C-N 3.34Å; F486-L489 PolarHBondContact O-N 2.89Å; F486-L490 PolarHBondContact O-N 2.85Å
487H30.8Very low38.9Very low116 Ų116109.8 Ų109.854%0.53756%0.561SS.*Hα-helixtrans-66.9-35.1173.3-94.4-56.2000112.5L483 N484 L490 L491L483-H487 WeakPolarHBondContact O-CB 3.21Å; L483-H487 PolarHBondContact O-N 2.94Å; N484-H487 PolarHBondContact O-N 2.97Å; H487-L490 PolarHBondContact O-N 2.79Å; H487-L491 WeakPolarHBondContact O-CB 3.44Å; H487-L491 WeakPolarHBondContact O-CG 3.27Å; H487-L491 PolarHBondContact O-N 3.3Å
488Q37.5Very low38.5Very low112 Ų112109.7 Ų109.752%0.52356%0.564SS.*Hα-helixtrans-66.4-41.1171.9-74.4179-47.400111.7N484 S485 L491 N492N484-Q488 WeakPolarHBondContact O-CB 3.38Å; N484-Q488 WeakPolarHBondContact O-CG 3.42Å; N484-Q488 PolarHBondContact O-N 3.16Å; S485-Q488 PolarHBondContact O-N 3.09Å; Q488-L491 PolarHBondContact O-N 2.84Å; Q488-N492 WeakPolarHBondContact O-CB 3.39Å; Q488-N492 PolarHBondContact O-N 3.33Å; Q488-N492 PolarHBondContact O-OD1 3.49Å
489L41.8Very low38.2Very low101 Ų101110 Ų11053%0.52957%0.568SS.*Hα-helixtrans-62.9-42.6172.5-80.2161000112.3S485 F486 N492 N493S485-L489 WeakPolarHBondContact O-CB 3.03Å; S485-L489 WeakPolarHBondContact O-CG 3.35Å; S485-L489 PolarHBondContact O-N 3.42Å; F486-L489 PolarHBondContact O-N 2.89Å; L489-N492 PolarHBondContact O-N 3.37Å; L489-N493 WeakPolarHBondContact O-CB 3.49Å; L489-N493 PolarHBondContact O-N 2.9Å
490L36.3Very low37.7Very low120 Ų120112.6 Ų112.663%0.62858%0.578SS**Hα-helixtrans-67.4-37.1176.8-117.678.8000113F486 H487 N493F486-L490 PolarHBondContact O-N 2.85Å; H487-L490 PolarHBondContact O-N 2.79Å; L490-N493 PolarHBondContact O-N 2.84Å
491L35.4Very low37.4Very low138 Ų138114 Ų11472%0.72358%0.581SS**Hα-helixtrans-72.7-28.7176.9-84.1161.2000112.8H487 Q488 N493H487-L491 WeakPolarHBondContact O-CB 3.44Å; H487-L491 WeakPolarHBondContact O-CG 3.27Å; H487-L491 PolarHBondContact O-N 3.3Å; Q488-L491 PolarHBondContact O-N 2.84Å; L491-N493 VanDerWaalsContact C-N 3.32Å
492N34.9Very low37.2Very low123 Ų123116.5 Ų116.566%0.65859%0.594SS**Hα-helixtrans-79.4-13.3175.4-71.21.7000113.3Q488 L489 P494Q488-N492 WeakPolarHBondContact O-CB 3.39Å; Q488-N492 PolarHBondContact O-N 3.33Å; Q488-N492 PolarHBondContact O-OD1 3.49Å; L489-N492 PolarHBondContact O-N 3.37Å; N492-P494 WeakPolarHBondContact O-CD 3.23Å
493N30.7Very low36.8Very low91 Ų91114 Ų11449%0.48759%0.587SS.*  trans-112.386.5-177.5-81.16.4000112L489 L490 L491 I495L489-N493 WeakPolarHBondContact O-CB 3.49Å; L489-N493 PolarHBondContact O-N 2.9Å; L490-N493 PolarHBondContact O-N 2.84Å; L491-N493 VanDerWaalsContact C-N 3.32Å; N493-I495 HydrophobicContact CB-CD1 3.84Å; N493-I495 HydrophobicContact CB-CG1 4.12Å; N493-I495 PolarHBondContact O-N 2.89Å
494P31.2Very low36.5Very low111 Ų111116.9 Ų116.972%0.72160%0.599SS**  trans-75.763.2178.533.4-37.4000112.6N492 K496N492-P494 WeakPolarHBondContact O-CD 3.23Å; P494-K496 PolarHBondContact O-N 3.02Å
495I38.9Very low36.4Very low127 Ų127119.9 Ų119.965%0.65161%0.607SS**THydrogen-bonded Turntrans-74.78.3-171.2-71.5171.7000113.8N493N493-I495 HydrophobicContact CB-CD1 3.84Å; N493-I495 HydrophobicContact CB-CG1 4.12Å; N493-I495 PolarHBondContact O-N 2.89Å
496K35.6Very low36.1Very low212 Ų212124.2 Ų124.292%0.92262%0.621SS**THydrogen-bonded Turntrans-103.719.1-169.7-93.3-160.1171.2-163.80117.7P494P494-K496 PolarHBondContact O-N 3.02Å
497S38.8Very low36Very low84 Ų84125.4 Ų125.459%0.58763%0.626SS**SBendtrans-139.6-5.3176.860.40000117.3
498N35.4Very low36.3Very low80 Ų80126.8 Ų126.843%0.42864%0.637SS.*  trans-121.115.6-159.4-90.367.1000116.4Q501N498-Q501 PolarHBondContact ND2-OE1 3.17Å
499I39.2Very low36.2Very low126 Ų126129.8 Ų129.865%0.64665%0.648SS**SBendtrans-68.3-40.2176.2-63.2176.1000111L502I499-L502 WeakPolarHBondContact O-CB 3.49Å; I499-L502 PolarHBondContact O-N 2.93Å
500E32.7Very low35.8Very low157 Ų157131.9 Ų131.973%0.73466%0.66SS**Hα-helixtrans-66-42.6-177.9-64.3170148.200111.9L502 I503E500-L502 PolarHBondContact O-N 2.81Å; E500-L502 VanDerWaalsContact O-N 3.15Å; E500-I503 PolarHBondContact O-N 3.36Å
501Q37.3Very low35.5Very low110 Ų110134.2 Ų134.251%0.51467%0.667SS.*Hα-helixtrans-66.9-12.5177.1-67.2-171.7-7.500114.6N498N498-Q501 PolarHBondContact ND2-OE1 3.17Å
502L37.6Very low35.3Very low116 Ų116136.1 Ų136.161%0.60767%0.67SS**Hα-helixtrans-79-42.7175.4-114.9160000110.7I499 E500 E504 K505I499-L502 WeakPolarHBondContact O-CB 3.49Å; I499-L502 PolarHBondContact O-N 2.93Å; E500-L502 PolarHBondContact O-N 2.81Å; E500-L502 VanDerWaalsContact O-N 3.15Å; L502-E504 VanDerWaalsContact C-N 3.35Å; L502-E504 PolarHBondContact O-N 3.3Å; L502-K505 PolarHBondContact O-N 3.41Å
503I37.1Very low35.1Very low97 Ų97137.3 Ų137.350%0.49768%0.676SS.*Hα-helixtrans-67-34-177.5-60.6168.7000111.8E500E500-I503 PolarHBondContact O-N 3.36Å
504E34.1Very low35Very low144 Ų144140 Ų14067%0.67369%0.691SS**Hα-helixtrans-71.6-31.7176.8-65.1-170.8131.100113L502L502-E504 VanDerWaalsContact C-N 3.35Å; L502-E504 PolarHBondContact O-N 3.3Å
505K39.5Very low34.7Very low162 Ų162143.5 Ų143.570%0.70469%0.691SS**Hα-helixtrans-77.9-22.6-174.6-80-172.7174.4-175.20114.7L502L502-K505 PolarHBondContact O-N 3.41Å
506E36.3Very low34.1Very low143 Ų143145.7 Ų145.767%0.66870%0.7SS**Hα-helixtrans-69.5-42.8174.2-67.7-175.4133.900111.4L508 K509E506-L508 PolarHBondContact O-N 3.03Å; E506-K509 PolarHBondContact O-N 2.72Å
507K34.1Very low33.6Very low164 Ų164140.2 Ų140.271%0.71369%0.689SS**Hα-helixtrans-65.8-33.6-172.8-64.4-175.5-179.6-178.50114.2
508L37.6Very low32.9Very low145 Ų145142.7 Ų142.776%0.75970%0.695SS**THydrogen-bonded Turntrans-88.1-10.2-173-119.1159.6000114E506E506-L508 PolarHBondContact O-N 3.03Å
509K34.7Very low32.4Very low174 Ų174145.6 Ų145.676%0.75771%0.709SS**G310 helixtrans-82.4-20.5-174.1-153.4-179.3-179.6-169.20114.2E506 H511E506-K509 PolarHBondContact O-N 2.72Å; K509-H511 VanDerWaalsContact C-N 3.26Å; K509-H511 PolarHBondContact O-N 3.14Å
510N34Very low31.5Very low145 Ų145147.1 Ų147.178%0.77572%0.717SS**G310 helixtrans-70.1-17.9-177.1-71.20.7000114.2
511H30.4Very low30.9Very low169 Ų169148.9 Ų148.978%0.78272%0.719SS**G310 helixtrans-93.8-11.5-160.7-124.7-56.6000116.7K509K509-H511 VanDerWaalsContact C-N 3.26Å; K509-H511 PolarHBondContact O-N 3.14Å
512F31.2Very low30.3Very low179 Ų179149.1 Ų149.179%0.78573%0.73SS**SBendtrans-107.7-13-166.4-124.3-84.7000116N514F512-N514 PolarHBondContact O-N 3.24Å
513N31.5Very low29.4Very low147 Ų147151.1 Ų151.179%0.78674%0.736SS**G310 helixtrans-77.4-12.8-171.8-82.216000115.2Y515N513-Y515 PolarHBondContact O-N 3.24Å
514N27.3Very low28.6Very low149 Ų149153.7 Ų153.780%0.79775%0.75SS**G310 helixtrans-81.8-8.7-176.2-75.18.6000114.8F512F512-N514 PolarHBondContact O-N 3.24Å
515Y25.4Very low27.9Very low184 Ų184156.4 Ų156.472%0.72276%0.76SS**G310 helixtrans-103.26.1-164.1-126.9-82000116.5N513N513-Y515 PolarHBondContact O-N 3.24Å
516M26.5Very low27Very low172 Ų172156.7 Ų156.785%0.84777%0.767SS**SBendtrans-130.210.2-175.7-88.7-69.1-179.900115.4N518M516-N518 VanDerWaalsContact C-N 3.29Å
517S25.4Very low26.2Very low98 Ų98154.7 Ų154.769%0.68577%0.769SS**SBendtrans-75.2-16.8171.351.20000113.6
518N23.3Very low25.6Very low135 Ų135152.2 Ų152.272%0.72277%0.77SS**SBendtrans-130.793.4-178.3-78.1-34.3000111.8M516M516-N518 VanDerWaalsContact C-N 3.29Å
519I24.7Very low24.6Very low141 Ų141152.2 Ų152.272%0.72377%0.769SS**  trans-166.5103.9137.5-93.3145.8000106.9
520I21.5Very low23.9Very low159 Ų159149.1 Ų149.182%0.81577%0.769SS**  trans-96.196.6173.3-66.6173000106.5
521Y19.8Very low23.2Very low194 Ų194153.2 Ų153.276%0.76178%0.775SS**  trans63.7141.4-172.8-64.4-94.7000113.4
522P23.4Very low22.6Very low115 Ų115149.7 Ų149.775%0.74777%0.769SS**  -128.7165.674.639.2-29.8000115
523E19.9Very low22.1Very low157 Ų157151.6 Ų151.673%0.73477%0.773SS**  trans-74165.7174.8-55171.7122.300112.7
524L20.9Very low21.6Very low151 Ų151152.2 Ų152.279%0.79178%0.776SS**  trans4896.8151.2-84145.2000118.2
525K19.4Very low21.4Very low202 Ų202149.7 Ų149.788%0.87877%0.767SS**  trans-148.8107.5139.4-114.2158.7-167.5171.30112.8
526I18.8Very low21.2Very low168 Ų168145.9 Ų145.986%0.86277%0.768SS**  trans-83.8124.8160-61.7169.8000106.6
527S19.6Very low21Very low100 Ų100146.9 Ų146.970%0.69976%0.763SS**  trans-143.5141.9168.753.70000110.3
528P21.3Very low20.8Very low113 Ų113148.5 Ų148.573%0.73476%0.764SS**  trans-88.8157.4-163.135.2-37.5000114.9
529I18.5Very low20.7Very low145 Ų145149.5 Ų149.574%0.74477%0.769SS**  trans35.3113140.9-51167.5000117.4Y531I529-Y531 HydrophobicContact CG2-CD2 4.06Å; I529-Y531 HydrophobicContact CG2-CE2 4.42Å
530S18.3Very low20.6Very low109 Ų109149.6 Ų149.676%0.76277%0.771SS**  trans-140.2115.7141.455.20000110.4S532S530-S532 PolarHBondContact O-N 3.12Å
531Y19.2Very low20.6Very low231 Ų231148.3 Ų148.391%0.90677%0.771SS**  trans-81.899.7169.6-82.5-89.9000108.7I529I529-Y531 HydrophobicContact CG2-CD2 4.06Å; I529-Y531 HydrophobicContact CG2-CE2 4.42Å
532S19.3Very low20.7Very low94 Ų94146.4 Ų146.466%0.65777%0.767SS**  trans-98.798.8178.846.80000112.2S530S530-S532 PolarHBondContact O-N 3.12Å
533Y20.9Very low20.6Very low219 Ų219147.6 Ų147.686%0.85977%0.767SS**  trans59.6103.6161-57.1-79.3000118.2
534L20.2Very low21Very low161 Ų161145.5 Ų145.584%0.84376%0.757SS**  trans-60.7139.3136.1-79.879.4000107.9S536L534-S536 PolarHBondContact O-N 3.47Å
535P23.1Very low21.3Very low96 Ų96144.5 Ų144.562%0.62375%0.752SS**  trans-64.5122.9165.327.5-32.4000109.1Y537P535-Y537 HydrophobicContact CB-CD2 4.42Å; P535-Y537 HydrophobicContact CB-CE2 4.45Å; P535-Y537 HydrophobicContact CG-CD2 4.19Å; P535-Y537 HydrophobicContact CG-CE2 4.06Å; P535-Y537 PolarHBondContact O-N 3.45Å
536S20.3Very low21.6Very low104 Ų104141.1 Ų141.173%0.72774%0.744SS**  trans-70.390.5175.254.20000110.2L534 N538L534-S536 PolarHBondContact O-N 3.47Å; S536-N538 PolarHBondContact O-N 3.07Å
537Y23.5Very low22Very low192 Ų192138.1 Ų138.175%0.75373%0.734SS**  trans-69.169.6171.2-92.1-87.2000111.3P535P535-Y537 HydrophobicContact CB-CD2 4.42Å; P535-Y537 HydrophobicContact CB-CE2 4.45Å; P535-Y537 HydrophobicContact CG-CD2 4.19Å; P535-Y537 HydrophobicContact CG-CE2 4.06Å; P535-Y537 PolarHBondContact O-N 3.45Å
538N21Very low22.3Very low133 Ų133138.7 Ų138.771%0.71173%0.728SS**  trans-75.5146.1161.9-73.6-6.4000109.2S536S536-N538 PolarHBondContact O-N 3.07Å
539N21.3Very low22.5Very low155 Ų155138.9 Ų138.983%0.82972%0.723SS**  trans6947.6171.4-55.3-0.9000116.6
540L22.6Very low22.7Very low144 Ų144139.3 Ų139.375%0.75472%0.724SS**  trans-111.491.8138-96.7166.3000108.5F542L540-F542 PolarHBondContact O-N 3.17Å
541T20.3Very low22.9Very low132 Ų132145 Ų14581%0.8173%0.728SS**  trans-68.4123.4176.344.50000110.4
542F22.6Very low23Very low154 Ų154143.1 Ų143.168%0.67573%0.725SS**  trans-65.3143.1177.3-79.4-103.6000112.6L540 E544L540-F542 PolarHBondContact O-N 3.17Å; F542-E544 HydrophobicContact CB-CB 4.09Å; F542-E544 HydrophobicContact CD1-CB 4.03Å; F542-E544 HydrophobicContact CD1-CG 3.77Å; F542-E544 HydrophobicContact CE1-CG 4.28Å; F542-E544 HydrophobicContact CG-CB 4.45Å
543N21.9Very low23.2Very low140 Ų140148.4 Ų148.475%0.74973%0.732SS**  trans-105.288.7141.4-106.3-3.6000106.8N545N543-N545 PolarHBondContact O-N 3.42Å
544E28.6Very low23.2Very low113 Ų113143.4 Ų143.453%0.52872%0.724SS.*THydrogen-bonded Turntrans-77-6.7-166.8-152.6160.8-152.100114.1F542F542-E544 HydrophobicContact CB-CB 4.09Å; F542-E544 HydrophobicContact CD1-CB 4.03Å; F542-E544 HydrophobicContact CD1-CG 3.77Å; F542-E544 HydrophobicContact CE1-CG 4.28Å; F542-E544 HydrophobicContact CG-CB 4.45Å
545N26.9Very low23.3Very low129 Ų129142.6 Ų142.669%0.6972%0.719SS**Hα-helixtrans-73.6-29.1-176.8-74.3-19.7000114.3N543 T547N543-N545 PolarHBondContact O-N 3.42Å; N545-T547 PolarHBondContact O-N 3.1Å
546D26.3Very low23.2Very low131 Ų131146.2 Ų146.270%0.70173%0.725SS**Hα-helixtrans-75.8-22.6-173-72.5-31.5000113.7
547T26.6Very low23.4Very low106 Ų106150.5 Ų150.565%0.6573%0.734SS**Hα-helixtrans-96.5-22.3-177.658.80000113.9N545 N549N545-T547 PolarHBondContact O-N 3.1Å; T547-N549 VanDerWaalsContact C-N 3.28Å; T547-N549 PolarHBondContact O-N 3.47Å
548L25.8Very low23.2Very low111 Ų111148.7 Ų148.758%0.58173%0.734SS**Hα-helixtrans-67.9-25.3178.1-98.9163.6000113.5M550 R551L548-M550 PolarHBondContact O-N 3.13Å; L548-R551 PolarHBondContact O-N 3.4Å
549N24.5Very low23.2Very low118 Ų118149 Ų14963%0.63174%0.736SS**THydrogen-bonded Turntrans-69.1-12.2-177.9-81-36.3000115.2T547T547-N549 VanDerWaalsContact C-N 3.28Å; T547-N549 PolarHBondContact O-N 3.47Å
550M22.8Very low23.2Very low154 Ų154149.4 Ų149.476%0.75973%0.733SS**THydrogen-bonded Turntrans-98.54.8-179.3-71.3-64.2-73.900115L548L548-M550 PolarHBondContact O-N 3.13Å
551R22.9Very low23Very low227 Ų227152.7 Ų152.786%0.85774%0.735SS**SBendtrans-12713.4178.3-73.2-167.1180-1782.8116.4L548L548-R551 PolarHBondContact O-N 3.4Å
552K22.6Very low23.2Very low192 Ų192155.8 Ų155.884%0.83574%0.738SS**  trans-112.912.4166.7-83-174.3174.5178.20115T554K552-T554 PolarHBondContact O-N 2.94Å
553Y22.8Very low23.1Very low205 Ų205153 Ų15380%0.80474%0.737SS**  trans-75.555164.3-87.3-75.9000112.8
554T21.3Very low23.2Very low114 Ų114155.2 Ų155.270%0.69974%0.743SS**SBendtrans-148.9115.9164-0.40000110.9K552K552-T554 PolarHBondContact O-N 2.94Å
555I22Very low23.2Very low145 Ų145155 Ų15574%0.74475%0.752SS**SBendtrans77.694.9167.1-49.4-179.3000116
556K21.3Very low22.9Very low171 Ų171154.3 Ų154.374%0.74376%0.755SS**  trans79.5102147.5-66.4175.8-179.1-179.50119.5M558K556-M558 PolarHBondContact O-N 3.05Å
557E23.6Very low22.6Very low194 Ų194156 Ų15691%0.90776%0.759SS**  -18.296.4116.6-58.8166.711500114.4
558M19.4Very low22.2Very low154 Ų154158.9 Ų158.976%0.75977%0.765SS**  trans-145118.8143.6-80.7-160.4168.100108.9K556K556-M558 PolarHBondContact O-N 3.05Å
559N20.9Very low22Very low141 Ų141160 Ų16075%0.75477%0.771SS**  trans58.690.5159.7-49.5-21.6000115.8
560Q21.2Very low21.8Very low162 Ų162162.2 Ų162.276%0.75778%0.777SS**  69.2118.183.6-72-167.410.300115.9
561R19.6Very low21.6Very low213 Ų213163.2 Ų163.280%0.80478%0.78SS**  trans61.9118147.4-62.7178.5175.8-176.4-1.3119.4
562F23.2Very low21.5Very low197 Ų197159.4 Ų159.486%0.86478%0.775SS**  167107.1130-81.4-55.9000105.6
563S21.3Very low21.3Very low95 Ų95159.4 Ų159.466%0.66478%0.775SS**  58.5134.187.568.70000114.1
564E22.7Very low21.1Very low188 Ų188155.9 Ų155.988%0.87978%0.779SS**  cis-163.3-163.7-1.8-117.3-170.1161.400108.8
565P30.3Very low21.1Very low109 Ų109156.5 Ų156.571%0.70878%0.782SS**  trans-115.4173.5-152.644.6-37.8000118.6
566C20Very low20.9Very low113 Ų113159 Ų15976%0.76479%0.788SS**  trans-149.1142.7148.7-85.70000107.4
567Q19.4Very low20.9Very low168 Ų168161.8 Ų161.879%0.78580%0.795SS**  66.8137.251.3-70.4-172.9-600113.7
568Q18.2Very low20.8Very low165 Ų165158.4 Ų158.477%0.77179%0.793SS**  cis-174.1-171.1-18.6-129179.5-1800107.8
569I22.5Very low20.8Very low136 Ų136155.9 Ų155.970%0.69780%0.797SS**  trans93.4119.5157.5-52.6-164.6000120.5
570E19.2Very low20.8Very low163 Ų163157.1 Ų157.176%0.76280%0.802SS**  trans36.6127148.1-66.3147.5-148.700121.9
571E18.7Very low20.8Very low175 Ų175158.4 Ų158.482%0.81881%0.808SS**  68.411965.3-76.9-154.5-169.900116.6
572I20.8Very low20.8Very low147 Ų147157.4 Ų157.475%0.75481%0.81SS**  176.1119.6122.2-89.7158.6000113.2
573K18.6Very low20.7Very low192 Ų192152.7 Ų152.784%0.83580%0.801SS**  trans33.9128.3147.5-58.8170.4-175.6166.40122.3
574C19.5Very low20.7Very low131 Ų131155.2 Ų155.289%0.88581%0.807SS**PPolyproline II helixtrans-73.3153.9169-44.90000114.1
575V20.2Very low20.6Very low127 Ų127152.2 Ų152.277%0.7780%0.802SS**PPolyproline II helixtrans-101.2136.8166.8178.10000110.2
576K18.9Very low20.2Very low198 Ų198153.7 Ų153.786%0.86180%0.804SS**PPolyproline II helixtrans-76.6140.7174.2-77.6178.7172178.60111
577Y21.3Very low20.2Very low230 Ų230154.7 Ų154.790%0.90280%0.802SS**PPolyproline II helixtrans-95128.5159.5-72.9-89.3000109.8
578S20.7Very low20.3Very low122 Ų122152.1 Ų152.185%0.85379%0.793SS**PPolyproline II helixtrans-96.5163.7173.842.60000111.6
579A20.3Very low20.5Very low102 Ų102150.3 Ų150.384%0.84379%0.789SS**PPolyproline II helixtrans-77.5161-165.600000115.1
580L21.1Very low20.5Very low166 Ų166150.3 Ų150.387%0.86979%0.79SS**PPolyproline II helixtrans-66.6127.2179.4-164.481.5000112.4
581Q19.5Very low20.6Very low189 Ų189148.8 Ų148.888%0.88379%0.786SS**  trans-131.6164.4156.1-86-163.6-1400110.8
582K20.2Very low20.8Very low192 Ų192147.2 Ų147.284%0.83578%0.783SS**  trans-99.7163.1-164.5-63.3176.3179.4175.20112.3
583S21.4Very low20.8Very low99 Ų99148.2 Ų148.269%0.69279%0.785SS**  trans53.4101.7154.555.60000117.8
584D21.2Very low21Very low148 Ų148144.4 Ų144.479%0.79178%0.778SS**  56.8128.2129.8-52.2-28.8000121.4
585T21.2Very low21Very low124 Ų124149.3 Ų149.376%0.76178%0.778SS**  trans73.1119.615958.90000120.1
586N20.7Very low21.1Very low141 Ų141149.4 Ų149.475%0.75478%0.781SS**  trans66.1107.4139.6-60.4-0.2000120.7
587N21Very low21.2Very low133 Ų133146.5 Ų146.571%0.71177%0.773SS**  78.1141128-86.749.6000122.6
588D21.9Very low21.2Very low115 Ų115141.5 Ų141.562%0.61577%0.769SS**  trans67.386.6144.1-63.1-44.1000120.6
589N21.9Very low21.2Very low127 Ų127145 Ų14568%0.67977%0.765SS**  83.1130.1117.5-59-38.3000121.3
590N22.2Very low21.1Very low136 Ų136148.9 Ų148.973%0.72777%0.77SS**  102.4119.2129.7-82.1-16.7000122
591I22.3Very low21.1Very low131 Ų131146.7 Ų146.767%0.67276%0.764SS**  trans83.2107.6135.3-62.9166.7000118.1
592N22.2Very low21.1Very low141 Ų141142.8 Ų142.875%0.75476%0.758SS**  26.4130.9127.8-37.9-27.2000117.5
593E21.9Very low21.1Very low169 Ų169141.3 Ų141.379%0.7976%0.759SS**  -170.6132.771.4-83.5-162.4140.400111.4
594T20.9Very low21Very low111 Ų111143 Ų14368%0.68176%0.759SS**  85.7136.696.9830000119.4
595R20.9Very low21.1Very low235 Ų235144 Ų14489%0.88776%0.758SS**  trans68.7118.9161.6-66.3179.5-177.6-162.7-0.1120
596P21.1Very low21.3Very low128 Ų128143.8 Ų143.883%0.83176%0.759SS**  trans-95152.6174.137.4-33.7000113.9
597I21.6Very low21.3Very low138 Ų138141.7 Ų141.771%0.70876%0.755SS**  trans-129.6135.3160.6-65.6179.5000106.2Y599I597-Y599 HydrophobicContact CG2-CE2 4.39Å; I597-Y599 PolarHBondContact O-N 3.42Å
598P21.5Very low21.3Very low125 Ų125142.9 Ų142.981%0.81276%0.762SS**  trans-77.2124.8-169.229.7-34.8000112.6
599Y20.1Very low21.3Very low195 Ų195143.6 Ų143.677%0.76578%0.775SS**  trans-121.4139.8161.3-76.2-84.1000109.2I597 T601I597-Y599 HydrophobicContact CG2-CE2 4.39Å; I597-Y599 PolarHBondContact O-N 3.42Å; Y599-T601 PolarHBondContact O-N 3.33Å
600L19.4Very low21.2Very low184 Ų184145 Ų14596%0.96378%0.781SS**  trans-70.1120.6163.8-78.179.9000107.6
601T20Very low21.2Very low119 Ų119145.7 Ų145.773%0.7378%0.784SS**  trans-127.6136.3166.747.50000110.1Y599 N603Y599-T601 PolarHBondContact O-N 3.33Å; T601-N603 PolarHBondContact O-N 3.03Å
602S20.3Very low21.4Very low108 Ų108145.2 Ų145.276%0.75579%0.79SS**  trans-74.2107.1-179.134.40000111I604S602-I604 PolarHBondContact O-N 3.5Å
603N20.3Very low21.4Very low160 Ų160146.7 Ų146.786%0.85679%0.792SS**  trans-78.489.6170.2-82.9-11.6000110.7T601T601-N603 PolarHBondContact O-N 3.03Å
604I19.6Very low21.4Very low134 Ų134149.7 Ų149.769%0.68780%0.797SS**  trans-60.9127160.5-62.5166.5000108.7S602S602-I604 PolarHBondContact O-N 3.5Å
605H21.9Very low21.4Very low169 Ų169152.2 Ų152.278%0.78281%0.806SS**  trans160.5160139.2-88-52.8000111.2
606P26Very low21.4Very low120 Ų120149.5 Ų149.578%0.77980%0.803SS**  cis-115.3169.7224.9-4.1000115
607S20.2Very low21.4Very low97 Ų97149.1 Ų149.168%0.67879%0.794SS**  trans-64.2138.9178.549.40000114.8
608N20.3Very low21.5Very low159 Ų159149.8 Ų149.885%0.8580%0.799SS**  trans-171.691136.3-98.6-12.8000111.2
609C22.2Very low21.5Very low130 Ų130150.3 Ų150.388%0.87880%0.8SS**  trans-169.4156.6155.2-102.30000110.8
610I20.8Very low21.5Very low157 Ų157147.7 Ų147.781%0.80580%0.798SS**  trans-119.1115.1-179.2-62.5168.1000108.2
611N20.9Very low21.6Very low149 Ų149147.2 Ų147.280%0.79779%0.791SS**  trans-177.3114.5152.3-100.6-8.2000109.5
612P27.4Very low21.7Very low122 Ų122146.7 Ų146.779%0.79279%0.791SS**  trans-108.586.5179.237.2-27.5000112.3
613E21.6Very low21.7Very low172 Ų172148.4 Ų148.480%0.80479%0.792SS**  trans-154.1154160.6-115.4164-163.200108
614Y23.1Very low21.8Very low231 Ų231147.2 Ų147.291%0.90679%0.785SS**  trans65.548.6-160.3-51.6-76.2000114.5
615L20.6Very low21.9Very low165 Ų165150.6 Ų150.686%0.86479%0.794SS**  -64.5158127.6-111.181.8000108.7
616E21Very low21.9Very low177 Ų177146.7 Ų146.783%0.82779%0.786SS**  trans113124178.6-67.2-164.5163.600113
617L21.3Very low21.7Very low121 Ų121146.1 Ų146.163%0.63479%0.785SS**  cis-151.8135.7-7.7-126.9161.3000108.6I620L617-I620 HydrophobicContact CD2-CD1 4.31Å; L617-I620 HydrophobicContact CD2-CG1 4.37Å
618D22.3Very low21.7Very low152 Ų152151.6 Ų151.681%0.81380%0.796SS**  trans-58.8143.8169.1-83.7-57.5000110.2I620D618-I620 PolarHBondContact O-N 3.35Å
619T21.7Very low22.3Very low135 Ų135149.6 Ų149.683%0.82879%0.792SS**  trans-65.199.5-175.651.70000111.1Q621T619-Q621 PolarHBondContact O-N 3.24Å
620I21.6Very low22.2Very low141 Ų141148.3 Ų148.372%0.72379%0.785SS**  trans-58.1120.9176.8-60.9177.3000109.3L617 D618 S622L617-I620 HydrophobicContact CD2-CD1 4.31Å; L617-I620 HydrophobicContact CD2-CG1 4.37Å; D618-I620 PolarHBondContact O-N 3.35Å; I620-S622 PolarHBondContact O-N 3Å
621Q19.7Very low22.2Very low174 Ų174150.7 Ų150.781%0.81379%0.789SS**  trans-64.7115.8172.6-67.5176.4-94.200109.7T619 D623T619-Q621 PolarHBondContact O-N 3.24Å; Q621-D623 VanDerWaalsContact C-N 3.33Å; Q621-D623 PolarHBondContact O-N 2.85Å
622S23.1Very low22.2Very low107 Ų107147 Ų14775%0.74879%0.786SS**  trans-79.380.417543.30000111.1I620 I624I620-S622 PolarHBondContact O-N 3Å; S622-I624 PolarHBondContact O-N 3.32Å
623D20.7Very low22Very low144 Ų144150.2 Ų150.277%0.7779%0.79SS**  trans-72.863.1178.7-131.8-15.6000111.9Q621Q621-D623 VanDerWaalsContact C-N 3.33Å; Q621-D623 PolarHBondContact O-N 2.85Å
624I22.8Very low21.9Very low136 Ų136150.7 Ų150.770%0.69779%0.793SS**  trans-113.5101179.6-58.1-176.3000110.6S622 S626S622-I624 PolarHBondContact O-N 3.32Å; I624-S626 PolarHBondContact O-N 2.82Å; I624-S626 VanDerWaalsContact O-N 3.15Å
625K19.7Very low21.9Very low204 Ų204146.8 Ų146.889%0.88779%0.786SS**  trans-76.889.5172.7-67170.9-178.1165.60111.1
626S22.7Very low21.9Very low88 Ų88146.4 Ų146.462%0.61579%0.785SS**  trans-14292.3169.6620000114.8I624I624-S626 PolarHBondContact O-N 2.82Å; I624-S626 VanDerWaalsContact O-N 3.15Å
627S21.3Very low21.9Very low108 Ų108145 Ų14576%0.75578%0.781SS**  trans42.4101.1139.360.50000121.6
628K21.2Very low22Very low211 Ų211144.1 Ų144.192%0.91778%0.777SS**  trans70159.7136.9-77-174.5175-178.70119.1
629P31.9Very low22.3Very low117 Ų117142.1 Ų142.176%0.7677%0.772SS**  trans-111.5160-155.640.4-32.7000114.7
630S20.5Very low22.5Very low104 Ų104142.3 Ų142.373%0.72777%0.768SS**  trans-171.7154.5130.261.20000113.1
631K21.9Very low22.6Very low207 Ų207145.8 Ų145.890%0.977%0.774SS**  trans67.6143.9169.3-61.7179.1179.4-1780116.1
632G20.1Very low22.8Very low71 Ų71145.7 Ų145.773%0.73278%0.778SS**  trans-93.2157.3-171.800000112.7E634G632-E634 PolarHBondContact O-N 3.33Å
633H23.8Very low22.8Very low189 Ų189144.6 Ų144.688%0.87577%0.771SS**  trans-79.8110.4167.6-67.9-68.1000109.6
634E19.4Very low23Very low183 Ų183145.9 Ų145.986%0.85577%0.772SS**  trans-64.9143153-69.7175122.700108.1G632G632-E634 PolarHBondContact O-N 3.33Å
635I21.8Very low23Very low148 Ų148144.9 Ų144.976%0.75977%0.765SS**  trans-96.5103.3-178.3-59.9176.1000107.3I637I635-I637 HydrophobicContact CG2-CG1 4.13Å; I635-I637 PolarHBondContact O-N 3.17Å
636D21.5Very low23.1Very low157 Ų157139.8 Ų139.884%0.8475%0.751SS**  trans-66.692.1175.8-80.3-41.8000111.3N638D636-N638 VanDerWaalsContact C-N 3.32Å; D636-N638 PolarHBondContact O-N 2.86Å
637I21Very low23.2Very low148 Ų148141.9 Ų141.976%0.75975%0.747SS**  trans-80.881.6173.6-56177.7000108.7I635 P639I635-I637 HydrophobicContact CG2-CG1 4.13Å; I635-I637 PolarHBondContact O-N 3.17Å; I637-P639 WeakPolarHBondContact O-CD 3.45Å
638N24.2Very low23.2Very low103 Ų103144.8 Ų144.855%0.55175%0.746SS**  trans-66.8114177.5-170.3-29.2000110.7D636 N640D636-N638 VanDerWaalsContact C-N 3.32Å; D636-N638 PolarHBondContact O-N 2.86Å; N638-N640 VanDerWaalsContact C-N 3.32Å; N638-N640 PolarHBondContact O-N 3.49Å
639P27.4Very low23.4Very low109 Ų109138.2 Ų138.271%0.70873%0.725SS**G310 helixtrans-81.42-160.431.4-36.8000115.9I637 Y641I637-P639 WeakPolarHBondContact O-CD 3.45Å; P639-Y641 PolarHBondContact O-N 2.86Å; P639-Y641 VanDerWaalsContact O-N 3.08Å
640N26.1Very low23.1Very low139 Ų139136.5 Ų136.574%0.74372%0.716SS**G310 helixtrans-73.63.9-170.4-79.1-42.5000116.4N638 L642N638-N640 VanDerWaalsContact C-N 3.32Å; N638-N640 PolarHBondContact O-N 3.49Å; N640-L642 PolarHBondContact O-N 3.34Å
641Y24.2Very low23.5Very low214 Ų214139.6 Ų139.684%0.83972%0.721SS**G310 helixtrans-87.69.8-170.7-86.6-74.8000116.9P639P639-Y641 PolarHBondContact O-N 2.86Å; P639-Y641 VanDerWaalsContact O-N 3.08Å
642L22.9Very low23.6Very low173 Ų173136.9 Ų136.991%0.90672%0.717SS**  trans-111.760.8-176.3-81.8164.7000114N640N640-L642 PolarHBondContact O-N 3.34Å
643S23.9Very low24.1Very low84 Ų84136.4 Ų136.459%0.58770%0.701SS**  trans-92.7109.6176.858.30000113.8
644H24.1Very low24.2Very low171 Ų171132.5 Ų132.579%0.79270%0.695SS**  trans28.2112.5157.9-61.8-56.6000120.8
645M23.4Very low24.5Very low114 Ų114131.3 Ų131.356%0.56269%0.689SS**EExtended strand (participates in β ladder)trans-101.8145.8154.8-63.2-169168.600111.1Y647 Y678M645-Y647 HydrophobicContact CB-CE2 3.94Å; M645-Y678 HydrophobicContact CB-CD1 4.39Å
646V22.7Very low24.7Very low98 Ų98130.4 Ų130.459%0.59469%0.685SS**EExtended strand (participates in β ladder)trans-126.5144.8177.7-179.10000110Y678 M679V646-Y678 WeakPolarHBondContact O-CA 3.27Å; V646-M679 PolarHBondContact N-O 3.16Å; V646-M679 PolarHBondContact O-N 3.42Å
647Y23.1Very low24.8Very low132 Ų132127.1 Ų127.152%0.51867%0.667SS.*EExtended strand (participates in β ladder)trans-113.8143.1-170.5-72.6-91.4000113.1M645 Y678M645-Y647 HydrophobicContact CB-CE2 3.94Å; Y647-Y678 AromaticContact CD1-CD1 2.13Å; Y647-Y678 HydrophobicContact CD1-CD1 2.13Å; Y647-Y678 AromaticContact CD1-CD2 2.36Å; Y647-Y678 HydrophobicContact CD1-CD2 2.36Å; Y647-Y678 AromaticContact CD1-CE1 2.13Å; Y647-Y678 HydrophobicContact CD1-CE1 2.13Å; Y647-Y678 AromaticContact CD1-CE2 2.36Å; Y647-Y678 HydrophobicContact CD1-CE2 2.36Å; Y647-Y678 AromaticContact CD1-CG 2.32Å; Y647-Y678 HydrophobicContact CD1-CG 2.32Å; Y647-Y678 AromaticContact CD1-CZ 2.31Å; Y647-Y678 AromaticContact CD2-CD1 2.36Å; Y647-Y678 HydrophobicContact CD2-CD1 2.36Å; Y647-Y678 AromaticContact CD2-CE1 2.36Å; Y647-Y678 HydrophobicContact CD2-CE1 2.36Å; Y647-Y678 AromaticContact CD2-CG 3.98Å; Y647-Y678 HydrophobicContact CD2-CG 3.98Å; Y647-Y678 AromaticContact CD2-CZ 3.98Å; Y647-Y678 AromaticContact CE1-CD1 2.13Å; Y647-Y678 HydrophobicContact CE1-CD1 2.13Å; Y647-Y678 AromaticContact CE1-CD2 2.36Å; Y647-Y678 HydrophobicContact CE1-CD2 2.36Å; Y647-Y678 AromaticContact CE1-CE1 2.13Å; Y647-Y678 HydrophobicContact CE1-CE1 2.13Å; Y647-Y678 AromaticContact CE1-CE2 2.36Å; Y647-Y678 HydrophobicContact CE1-CE2 2.36Å; Y647-Y678 AromaticContact CE1-CG 2.32Å; Y647-Y678 HydrophobicContact CE1-CG 2.32Å; Y647-Y678 AromaticContact CE1-CZ 2.32Å; Y647-Y678 AromaticContact CE2-CD1 2.36Å; Y647-Y678 HydrophobicContact CE2-CD1 2.36Å; Y647-Y678 AromaticContact CE2-CE1 2.36Å; Y647-Y678 HydrophobicContact CE2-CE1 2.36Å; Y647-Y678 AromaticContact CE2-CG 3.98Å; Y647-Y678 HydrophobicContact CE2-CG 3.98Å; Y647-Y678 AromaticContact CE2-CZ 3.98Å; Y647-Y678 AromaticContact CG-CD1 2.32Å; Y647-Y678 HydrophobicContact CG-CD1 2.32Å; Y647-Y678 AromaticContact CG-CD2 3.98Å; Y647-Y678 HydrophobicContact CG-CD2 3.98Å; Y647-Y678 AromaticContact CG-CE1 2.32Å; Y647-Y678 HydrophobicContact CG-CE1 2.32Å; Y647-Y678 AromaticContact CG-CE2 3.98Å; Y647-Y678 HydrophobicContact CG-CE2 3.98Å; Y647-Y678 AromaticContact CG-CG 3.36Å; Y647-Y678 HydrophobicContact CG-CG 3.36Å; Y647-Y678 AromaticContact CG-CZ 3.36Å; Y647-Y678 AromaticContact CZ-CD1 2.31Å; Y647-Y678 AromaticContact CZ-CD2 3.99Å; Y647-Y678 AromaticContact CZ-CE1 2.32Å; Y647-Y678 AromaticContact CZ-CE2 3.99Å; Y647-Y678 AromaticContact CZ-CG 3.37Å; Y647-Y678 AromaticContact CZ-CZ 3.37Å
648K23Very low25Very low169 Ų169128.8 Ų128.874%0.73566%0.664SS**EExtended strand (participates in β ladder)trans-152.6110.7171.5-162.5178.7-177.3-173.10110.7E677K648-E677 PolarHBondContact N-O 3.02Å
649C24.1Very low25.2Very low73 Ų73127.9 Ų127.949%0.49366%0.657SS.*EExtended strand (participates in β ladder)trans-77.6144.6176.7-52.90000111.7C676C649-C676 HydrophobicContact CB-CB 3.95Å; C649-C676 WeakPolarHBondContact CB-SG 3.36Å; C649-C676 WeakPolarHBondContact SG-CB 3.16Å; C649-C676 CovalentContact SG-SG 2.04Å; C649-C676 PolarHBondContact SG-SG 3.28Å
650S26.7Very low25.2Very low81 Ų81130 Ų13057%0.56666%0.655SS**  trans-82.7161.4166.2-171.70000110.8
651M27.5Very low25.2Very low168 Ų168128.7 Ų128.783%0.82864%0.64SS**SBendtrans-101-18.3-173.9-80.9-73.7176.500115.2P653M651-P653 VanDerWaalsContact O-CD 3.31Å; M651-P653 WeakPolarHBondContact O-CD 3.42Å
652D25.9Very low25.5Very low151 Ų151121.3 Ų121.381%0.80762%0.615SS**  trans-120.786.2-172.8-69.8-63.7000112.3
653P29.8Very low26Very low61 Ų61122.8 Ų122.840%0.39662%0.618SS.*  trans-91.1122.5-177.834.5-34.3000113.2M651 E674 P675M651-P653 VanDerWaalsContact O-CD 3.31Å; M651-P653 WeakPolarHBondContact O-CD 3.42Å; P653-E674 HydrophobicContact CG-CG 4.48Å; P653-P675 HydrophobicContact CB-CG 4.12Å
654S25.8Very low26.4Very low107 Ų107123.4 Ų123.475%0.74862%0.618SS**  trans-67.3130.5167.856.10000111.1L656S654-L656 PolarHBondContact O-N 2.75Å
655Q24.9Very low26.6Very low157 Ų157121.6 Ų121.673%0.73461%0.614SS**  trans-7195-170-63.7178.94.900113.2I657Q655-I657 HydrophobicContact CB-CG1 4.4Å; Q655-I657 PolarHBondContact O-N 2.97Å; Q655-I657 VanDerWaalsContact O-N 3.12Å
656L25.6Very low26.7Very low130 Ų130122.3 Ų122.368%0.68162%0.616SS**  trans-75.993.4167-79.7168.4000110.4S654 Y658S654-L656 PolarHBondContact O-N 2.75Å; L656-Y658 PolarHBondContact O-N 3.46Å
657I24.8Very low26.8Very low88 Ų88121.7 Ų121.745%0.45161%0.609SS.*  trans-81.7105179.5-57.2167.1000109.5Q655 H659Q655-I657 HydrophobicContact CB-CG1 4.4Å; Q655-I657 PolarHBondContact O-N 2.97Å; Q655-I657 VanDerWaalsContact O-N 3.12Å; I657-H659 VanDerWaalsContact CG2-CE1 3.44Å; I657-H659 WeakPolarHBondContact CG2-CE1 3.38Å
658Y25.9Very low27.2Very low182 Ų182118.2 Ų118.271%0.71460%0.602SS**EExtended strand (participates in β ladder)trans-89122.2167.4-81.2-84.2000110.9L656L656-Y658 PolarHBondContact O-N 3.46Å
659H27.5Very low27.3Very low84 Ų84117.7 Ų117.739%0.38960%0.596SS.*EExtended strand (participates in β ladder)trans-89.9124.4173.3-59.8-51.2000110.3I657 Y661 L667 N670I657-H659 VanDerWaalsContact CG2-CE1 3.44Å; I657-H659 WeakPolarHBondContact CG2-CE1 3.38Å; H659-Y661 HydrophobicContact CB-CD2 4.46Å; H659-Y661 HydrophobicContact CB-CE2 3.69Å; H659-L667 HydrophobicContact CB-CD1 3.91Å; H659-L667 HydrophobicContact CB-CG 4.13Å; H659-N670 PolarHBondContact CE1-OD1 3.39Å; H659-N670 PolarHBondContact ND1-OD1 3.47Å
660K28.1Very low27.3Very low155 Ų155118.4 Ų118.467%0.67460%0.595SS**EExtended strand (participates in β ladder)trans-98.5125.4169.1-168.3173-176.7179.50110.7T668 Y669K660-T668 PolarHBondContact O-N 2.83Å; K660-T668 PolarHBondContact O-OG1 3.37Å; K660-Y669 PolarHBondContact N-O 2.84Å
661Y25.5Very low27.3Very low110 Ų110122.2 Ų122.243%0.43160%0.598SS.*EExtended strand (participates in β ladder)trans-98.4158.2177.7-59.1-96.5000111.4H659 N665 Q666 L667H659-Y661 HydrophobicContact CB-CD2 4.46Å; H659-Y661 HydrophobicContact CB-CE2 3.69Å; Y661-N665 VanDerWaalsContact CD1-O 3.29Å; Y661-N665 WeakPolarHBondContact CD1-O 3.35Å; Y661-Q666 CarbonylContact C-O 3.58Å; Y661-Q666 VanDerWaalsContact CA-O 3.25Å; Y661-Q666 WeakPolarHBondContact CA-O 3.43Å; Y661-L667 HydrophobicContact CD1-CB 3.94Å; Y661-L667 HydrophobicContact CE1-CB 3.75Å; Y661-L667 HydrophobicContact CE1-CD1 4.25Å; Y661-L667 HydrophobicContact CE1-CG 4.25Å
662N29.7Very low27.2Very low59 Ų59118.8 Ų118.832%0.31659%0.588SS.*  trans-86.8-177.1170.271.5-2.1000111.7T664 N665 Q666 T668N662-T664 PolarHBondContact ND2-OG1 3.08Å; N662-T664 PolarHBondContact O-N 3.01Å; N662-T664 VanDerWaalsContact O-N 3.14Å; N662-T664 PolarHBondContact OD1-N 3.15Å; N662-T664 VanDerWaalsContact OD1-N 3.09Å; N662-T664 PolarHBondContact OD1-OG1 3.21Å; N662-T664 VanDerWaalsContact OD1-OG1 3.12Å; N662-N665 WeakPolarHBondContact O-CA 3.36Å; N662-N665 PolarHBondContact O-N 3.02Å; N662-N665 PolarHBondContact OD1-N 3.48Å; N662-Q666 PolarHBondContact N-O 2.99Å; N662-Q666 WeakPolarHBondContact OD1-CA 3.25Å; N662-Q666 WeakPolarHBondContact OD1-CB 3.43Å; N662-Q666 PolarHBondContact OD1-N 3.47Å; N662-Q666 PolarHBondContact OD1-O 2.66Å; N662-T668 HydrophobicContact CB-CG2 3.82Å
663E34.2Very low27.2Very low205 Ų205118.5 Ų118.596%0.95859%0.586SS**THydrogen-bonded Turntrans-62.4-16.8179.8-64170.4170.700114.3
664T32.7Very low27.1Very low97 Ų97123.5 Ų123.560%0.59560%0.604SS**THydrogen-bonded Turntrans-102.520.1172.455.60000112.9N662 Q666N662-T664 PolarHBondContact ND2-OG1 3.08Å; N662-T664 PolarHBondContact O-N 3.01Å; N662-T664 VanDerWaalsContact O-N 3.14Å; N662-T664 PolarHBondContact OD1-N 3.15Å; N662-T664 VanDerWaalsContact OD1-N 3.09Å; N662-T664 PolarHBondContact OD1-OG1 3.21Å; N662-T664 VanDerWaalsContact OD1-OG1 3.12Å; T664-Q666 PolarHBondContact O-N 3.08Å
665N27.6Very low27.3Very low132 Ų132122.5 Ų122.571%0.70660%0.595SS**SBendtrans51.935-178.2-77.9-27.3000114.7Y661 N662Y661-N665 VanDerWaalsContact CD1-O 3.29Å; Y661-N665 WeakPolarHBondContact CD1-O 3.35Å; N662-N665 WeakPolarHBondContact O-CA 3.36Å; N662-N665 PolarHBondContact O-N 3.02Å; N662-N665 PolarHBondContact OD1-N 3.48Å
666Q25Very low27.3Very low129 Ų129118.1 Ų118.160%0.60358%0.581SS**  trans-96.5134.5170-59.5-177-5.400110.8Y661 N662 T664 T668Y661-Q666 CarbonylContact C-O 3.58Å; Y661-Q666 VanDerWaalsContact CA-O 3.25Å; Y661-Q666 WeakPolarHBondContact CA-O 3.43Å; N662-Q666 PolarHBondContact N-O 2.99Å; N662-Q666 WeakPolarHBondContact OD1-CA 3.25Å; N662-Q666 WeakPolarHBondContact OD1-CB 3.43Å; N662-Q666 PolarHBondContact OD1-N 3.47Å; N662-Q666 PolarHBondContact OD1-O 2.66Å; T664-Q666 PolarHBondContact O-N 3.08Å; Q666-T668 PolarHBondContact O-N 3.28Å
667L26.1Very low27.4Very low85 Ų85118.5 Ų118.545%0.44558%0.579SS.*EExtended strand (participates in β ladder)trans-70.4120.4-173.7-169.9158.6000110.4H659 Y661H659-L667 HydrophobicContact CB-CD1 3.91Å; H659-L667 HydrophobicContact CB-CG 4.13Å; Y661-L667 HydrophobicContact CD1-CB 3.94Å; Y661-L667 HydrophobicContact CE1-CB 3.75Å; Y661-L667 HydrophobicContact CE1-CD1 4.25Å; Y661-L667 HydrophobicContact CE1-CG 4.25Å
668T31.7Very low27.5Very low59 Ų59121.3 Ų121.336%0.36259%0.585SS.*EExtended strand (participates in β ladder)trans-99.4-47.4-17356.20000114.1K660 N662 Q666K660-T668 PolarHBondContact O-N 2.83Å; K660-T668 PolarHBondContact O-OG1 3.37Å; N662-T668 HydrophobicContact CB-CG2 3.82Å; Q666-T668 PolarHBondContact O-N 3.28Å
669Y25.2Very low27.4Very low158 Ų158119.3 Ų119.362%0.6258%0.584SS**EExtended strand (participates in β ladder)trans-148.7148.5-177-67.2-77.2000112.8K660 Y671K660-Y669 PolarHBondContact N-O 2.84Å; Y669-Y671 HydrophobicContact CG-CE2 4.4Å
670N24.2Very low27.4Very low89 Ų89118.3 Ų118.348%0.47659%0.586SS.*EExtended strand (participates in β ladder)trans-110.5133.9169.9-65.3-18.3000108.9H659H659-N670 PolarHBondContact CE1-OD1 3.39Å; H659-N670 PolarHBondContact ND1-OD1 3.47Å
671Y26.5Very low27.3Very low160 Ų160116.1 Ų116.163%0.62759%0.589SS**EExtended strand (participates in β ladder)trans-135.3120172.2-80.3-84.2000110.4Y669Y669-Y671 HydrophobicContact CG-CE2 4.4Å
672P24.7Very low27.4Very low96 Ų96117.4 Ų117.462%0.62360%0.603SS**  trans-77.7143.7162.533.1-31.9000109.8
673I26.2Very low27.2Very low146 Ų146121.8 Ų121.875%0.74963%0.626SS**  trans-137.1138.2176.6-59.1-179.6000108.5
674E26.4Very low26.8Very low166 Ų166117.4 Ų117.478%0.77662%0.618SS**  trans-88.5127.7-176.8-64167.6162.400111P653P653-E674 HydrophobicContact CG-CG 4.48Å
675P30.9Very low26.6Very low86 Ų86117.1 Ų117.156%0.55862%0.62SS**  trans-84138.2175.532.8-33.6000112.8P653P653-P675 HydrophobicContact CB-CG 4.12Å
676C25.4Very low26.5Very low65 Ų65118.1 Ų118.144%0.43963%0.631SS.*EExtended strand (participates in β ladder)trans-121.6138.9169.8-79.10000110.4C649C649-C676 HydrophobicContact CB-CB 3.95Å; C649-C676 WeakPolarHBondContact CB-SG 3.36Å; C649-C676 WeakPolarHBondContact SG-CB 3.16Å; C649-C676 CovalentContact SG-SG 2.04Å; C649-C676 PolarHBondContact SG-SG 3.28Å
677E27.2Very low26.5Very low137 Ų137120.6 Ų120.664%0.6464%0.642SS**EExtended strand (participates in β ladder)trans-96.9155.8179.6-66.7-177.611800112.9K648K648-E677 PolarHBondContact N-O 3.02Å
678Y26.4Very low26.3Very low147 Ų147126.1 Ų126.158%0.57667%0.666SS**EExtended strand (participates in β ladder)trans-125.5144.8174.2-77.1-94.3000109.5M645 V646 Y647M645-Y678 HydrophobicContact CB-CD1 4.39Å; V646-Y678 WeakPolarHBondContact O-CA 3.27Å; Y647-Y678 AromaticContact CD1-CD1 2.13Å; Y647-Y678 HydrophobicContact CD1-CD1 2.13Å; Y647-Y678 AromaticContact CD1-CD2 2.36Å; Y647-Y678 HydrophobicContact CD1-CD2 2.36Å; Y647-Y678 AromaticContact CD1-CE1 2.13Å; Y647-Y678 HydrophobicContact CD1-CE1 2.13Å; Y647-Y678 AromaticContact CD1-CE2 2.36Å; Y647-Y678 HydrophobicContact CD1-CE2 2.36Å; Y647-Y678 AromaticContact CD1-CG 2.32Å; Y647-Y678 HydrophobicContact CD1-CG 2.32Å; Y647-Y678 AromaticContact CD1-CZ 2.31Å; Y647-Y678 AromaticContact CD2-CD1 2.36Å; Y647-Y678 HydrophobicContact CD2-CD1 2.36Å; Y647-Y678 AromaticContact CD2-CE1 2.36Å; Y647-Y678 HydrophobicContact CD2-CE1 2.36Å; Y647-Y678 AromaticContact CD2-CG 3.98Å; Y647-Y678 HydrophobicContact CD2-CG 3.98Å; Y647-Y678 AromaticContact CD2-CZ 3.98Å; Y647-Y678 AromaticContact CE1-CD1 2.13Å; Y647-Y678 HydrophobicContact CE1-CD1 2.13Å; Y647-Y678 AromaticContact CE1-CD2 2.36Å; Y647-Y678 HydrophobicContact CE1-CD2 2.36Å; Y647-Y678 AromaticContact CE1-CE1 2.13Å; Y647-Y678 HydrophobicContact CE1-CE1 2.13Å; Y647-Y678 AromaticContact CE1-CE2 2.36Å; Y647-Y678 HydrophobicContact CE1-CE2 2.36Å; Y647-Y678 AromaticContact CE1-CG 2.32Å; Y647-Y678 HydrophobicContact CE1-CG 2.32Å; Y647-Y678 AromaticContact CE1-CZ 2.32Å; Y647-Y678 AromaticContact CE2-CD1 2.36Å; Y647-Y678 HydrophobicContact CE2-CD1 2.36Å; Y647-Y678 AromaticContact CE2-CE1 2.36Å; Y647-Y678 HydrophobicContact CE2-CE1 2.36Å; Y647-Y678 AromaticContact CE2-CG 3.98Å; Y647-Y678 HydrophobicContact CE2-CG 3.98Å; Y647-Y678 AromaticContact CE2-CZ 3.98Å; Y647-Y678 AromaticContact CG-CD1 2.32Å; Y647-Y678 HydrophobicContact CG-CD1 2.32Å; Y647-Y678 AromaticContact CG-CD2 3.98Å; Y647-Y678 HydrophobicContact CG-CD2 3.98Å; Y647-Y678 AromaticContact CG-CE1 2.32Å; Y647-Y678 HydrophobicContact CG-CE1 2.32Å; Y647-Y678 AromaticContact CG-CE2 3.98Å; Y647-Y678 HydrophobicContact CG-CE2 3.98Å; Y647-Y678 AromaticContact CG-CG 3.36Å; Y647-Y678 HydrophobicContact CG-CG 3.36Å; Y647-Y678 AromaticContact CG-CZ 3.36Å; Y647-Y678 AromaticContact CZ-CD1 2.31Å; Y647-Y678 AromaticContact CZ-CD2 3.99Å; Y647-Y678 AromaticContact CZ-CE1 2.32Å; Y647-Y678 AromaticContact CZ-CE2 3.99Å; Y647-Y678 AromaticContact CZ-CG 3.37Å; Y647-Y678 AromaticContact CZ-CZ 3.37Å
679M24.8Very low25.9Very low141 Ų141132.2 Ų132.270%0.69569%0.691SS**EExtended strand (participates in β ladder)trans-118.2116.7168.4-61.1-176.177.400108.7V646V646-M679 PolarHBondContact N-O 3.16Å; V646-M679 PolarHBondContact O-N 3.42Å
680S27.5Very low25.8Very low63 Ų63129 Ų12944%0.44170%0.696SS.*EExtended strand (participates in β ladder)trans-90.6141.8158.847.10000108.8
681C25.1Very low25.6Very low109 Ų109133.3 Ų133.374%0.73671%0.713SS**  trans-98.8102.6174.2-65.20000109.2L683C681-L683 PolarHBondContact O-N 3.26Å
682D27.7Very low25.3Very low136 Ų136131.3 Ų131.373%0.72772%0.717SS**  trans-66.9118.8177-64.5-32000110.6S684D682-S684 PolarHBondContact O-N 3.45Å
683L25.5Very low25.1Very low152 Ų152130.8 Ų130.880%0.79671%0.713SS**  trans-85.159.5175.5-93.1164.4000111.4C681 S685C681-L683 PolarHBondContact O-N 3.26Å; L683-S685 VanDerWaalsContact C-N 3.3Å; L683-S685 PolarHBondContact O-N 2.84Å
684S26.9Very low24.9Very low113 Ų113130.1 Ų130.179%0.7971%0.71SS**  trans-80.96917648.10000112.2D682D682-S684 PolarHBondContact O-N 3.45Å
685S28.1Very low24.7Very low90 Ų90128.1 Ų128.163%0.62970%0.703SS**  trans-137.390.6168.462.80000112.1L683 Q687L683-S685 VanDerWaalsContact C-N 3.3Å; L683-S685 PolarHBondContact O-N 2.84Å; S685-Q687 PolarHBondContact O-N 3.27Å; S685-Q687 VanDerWaalsContact O-N 3.14Å
686T25.7Very low24.4Very low153 Ų153131.4 Ų131.494%0.93971%0.711SS**  trans-64103.6167.234.20000110.6
687Q24.8Very low24.2Very low181 Ų181136.1 Ų136.185%0.84673%0.726SS**  trans-115.5125.2159-76.8-163.4-21.900110.1S685 Q689S685-Q687 PolarHBondContact O-N 3.27Å; S685-Q687 VanDerWaalsContact O-N 3.14Å; Q687-Q689 PolarHBondContact O-N 2.87Å
688Q22.5Very low24Very low201 Ų201135 Ų13594%0.93972%0.721SS**  trans-67113.4177.9-64.3159.5-35.200109.1
689Q22.6Very low24.3Very low188 Ų188133.6 Ų133.688%0.87973%0.73SS**  trans-104.2142.3150.4-70.5-167.7-28.200108Q687Q687-Q689 PolarHBondContact O-N 2.87Å
690A22.8Very low24.6Very low90 Ų90134.2 Ų134.274%0.74473%0.731SS**  trans-67.5166.3-162.500000113V692A690-V692 VanDerWaalsContact C-N 3.3Å; A690-V692 PolarHBondContact O-N 3.36Å
691H20.5Very low24.6Very low179 Ų179137.1 Ų137.183%0.82974%0.739SS**  trans-55.585.6172.6-121.7-82.5000111.4T693H691-T693 PolarHBondContact O-N 3.49Å
692V19.7Very low24.8Very low118 Ų118139.7 Ų139.772%0.71575%0.745SS**  trans-79.982.6162.9-176.60000106.7A690 L694A690-V692 VanDerWaalsContact C-N 3.3Å; A690-V692 PolarHBondContact O-N 3.36Å; V692-L694 HydrophobicContact CG1-CD1 4.41Å; V692-L694 HydrophobicContact CG1-CG 4.24Å; V692-L694 PolarHBondContact O-N 3.48Å
693T21Very low24.9Very low85 Ų85137.9 Ų137.952%0.52174%0.735SS.*  trans-62.8104.5160.748.30000107.4H691 I695H691-T693 PolarHBondContact O-N 3.49Å; T693-I695 PolarHBondContact O-N 3.02Å
694L21.4Very low25Very low132 Ų132133.2 Ų133.269%0.69172%0.723SS**  trans-71.260.7172.3-97.6141.2000110.9V692 H696V692-L694 HydrophobicContact CG1-CD1 4.41Å; V692-L694 HydrophobicContact CG1-CG 4.24Å; V692-L694 PolarHBondContact O-N 3.48Å; L694-H696 VanDerWaalsContact C-N 3.28Å; L694-H696 PolarHBondContact O-N 3.48Å
695I22.9Very low25.3Very low124 Ų124136.1 Ų136.164%0.63673%0.726SS**  trans-9470.8157.6-53.3175.6000105.4T693T693-I695 PolarHBondContact O-N 3.02Å
696H23.3Very low25.5Very low155 Ų155139.1 Ų139.172%0.71874%0.735SS**  trans-124.994169.1-82.918.2000106.6L694 H698L694-H696 VanDerWaalsContact C-N 3.28Å; L694-H696 PolarHBondContact O-N 3.48Å; H696-H698 PolarHBondContact O-N 2.88Å
697H21.9Very low25.9Very low164 Ų164135.9 Ų135.976%0.75971%0.712SS**  58.144.681.7-67.8-4.9000114.2P699H697-P699 WeakPolarHBondContact O-CD 3.44Å
698H23.6Very low26.6Very low115 Ų115132.4 Ų132.453%0.53270%0.699SS.*  trans-68.4114134-92.7-79.3000108.3H696 E700 M701 D727H696-H698 PolarHBondContact O-N 2.88Å; H698-E700 PolarHBondContact O-N 3.12Å; H698-E700 VanDerWaalsContact O-N 3.09Å; H698-M701 HydrophobicContact CB-CG 4.35Å; H698-D727 IonicContact CD2-OD2 3.57Å
699P32.6Very low27.5Very low117 Ų117127.5 Ų127.576%0.7669%0.686SS**THydrogen-bonded Turntrans-64.8-17.1-171.6-25.336.7000115.1H697H697-P699 WeakPolarHBondContact O-CD 3.44Å
700E30.3Very low28.2Very low154 Ų154124.7 Ų124.772%0.7268%0.677SS**THydrogen-bonded Turntrans-106.3-15.6-169.2-66.1171.9161.600113.7H698 N702 I703H698-E700 PolarHBondContact O-N 3.12Å; H698-E700 VanDerWaalsContact O-N 3.09Å; E700-N702 PolarHBondContact O-N 2.8Å; E700-I703 HydrophobicContact CB-CD1 4.47Å; E700-I703 WeakPolarHBondContact O-CB 3.25Å; E700-I703 VanDerWaalsContact O-CG1 3.29Å; E700-I703 WeakPolarHBondContact O-CG1 3.19Å; E700-I703 PolarHBondContact O-N 3.27Å; E700-I703 VanDerWaalsContact O-N 3.13Å
701M27.9Very low29.1Very low123 Ų123123.3 Ų123.361%0.60666%0.657SS**THydrogen-bonded Turntrans-74.4-9177.8-76.9-157.5-179.400114.5H698 I703 L719H698-M701 HydrophobicContact CB-CG 4.35Å; M701-I703 PolarHBondContact O-N 3.18Å; M701-L719 HydrophobicContact CE-CD2 4.32Å
702N28.8Very low30.2Very low163 Ų163118 Ų11887%0.87264%0.637SS**THydrogen-bonded Turntrans-77.8-3.4169.6-125.63.5000112.6E700 G704E700-N702 PolarHBondContact O-N 2.8Å; N702-G704 PolarHBondContact O-N 3.46Å
703I29.1Very low31.3Very low99 Ų99116.7 Ų116.751%0.50863%0.634SS.*SBendtrans-79.498.2168.8-54.2173.6000107.6E700 M701 N707E700-I703 HydrophobicContact CB-CD1 4.47Å; E700-I703 WeakPolarHBondContact O-CB 3.25Å; E700-I703 VanDerWaalsContact O-CG1 3.29Å; E700-I703 WeakPolarHBondContact O-CG1 3.19Å; E700-I703 PolarHBondContact O-N 3.27Å; E700-I703 VanDerWaalsContact O-N 3.13Å; M701-I703 PolarHBondContact O-N 3.18Å; I703-N707 HydrophobicContact CG2-CB 3.61Å; I703-N707 WeakPolarHBondContact CG2-ND2 3.45Å
704G27.8Very low32.4Very low53 Ų53116.4 Ų116.455%0.54664%0.635SS.*  trans-54.6152.9-179.600000113.6N702 N706 N707N702-G704 PolarHBondContact O-N 3.46Å; G704-N706 PolarHBondContact O-N 3.15Å; G704-N707 PolarHBondContact O-N 2.76Å
705M34Very low33.4Very low175 Ų175114.6 Ų114.686%0.86262%0.623SS**G310 helixtrans-46.2-22.4-167-71.6-176.7169.800117N707 L708M705-N707 PolarHBondContact O-N 3.4Å; M705-N707 VanDerWaalsContact O-N 3.12Å; M705-L708 PolarHBondContact O-N 3.42Å
706N32.5Very low34.2Very low152 Ų152111.2 Ų111.281%0.81361%0.606SS**G310 helixtrans-59.4-20.1-179.4-62.7-1.6000114.5G704G704-N706 PolarHBondContact O-N 3.15Å
707N33.8Very low34.9Very low85 Ų85108.9 Ų108.946%0.45560%0.598SS.*G310 helixtrans-97.43.3-179.9-75.9-1.3000114.7I703 G704 M705 S709 N710I703-N707 HydrophobicContact CG2-CB 3.61Å; I703-N707 WeakPolarHBondContact CG2-ND2 3.45Å; G704-N707 PolarHBondContact O-N 2.76Å; M705-N707 PolarHBondContact O-N 3.4Å; M705-N707 VanDerWaalsContact O-N 3.12Å; N707-S709 PolarHBondContact O-N 3.47Å; N707-N710 PolarHBondContact O-N 2.81Å
708L39.8Very low35.7Very low108 Ų108108 Ų10857%0.56559%0.592SS**G310 helixtrans-58.9-22.5-179.7-142.780.6000112.9M705 N710 L711M705-L708 PolarHBondContact O-N 3.42Å; L708-N710 VanDerWaalsContact C-N 3.29Å; L708-N710 PolarHBondContact O-N 2.79Å; L708-L711 HydrophobicContact CD1-CD1 4.02Å; L708-L711 HydrophobicContact CG-CD1 4.37Å
709S41.6Very low36.4Very low98 Ų98107.2 Ų107.269%0.68559%0.591SS**G310 helixtrans-70.1-16.5175.2590000115.2N707N707-S709 PolarHBondContact O-N 3.47Å
710N37.2Very low36.7Very low129 Ų129109.1 Ų109.169%0.6959%0.588SS**G310 helixtrans-104.3-4.7-173.5-67.29.7000113.1N707 L708N707-N710 PolarHBondContact O-N 2.81Å; L708-N710 VanDerWaalsContact C-N 3.29Å; L708-N710 PolarHBondContact O-N 2.79Å
711L42.4Very low37.1Very low62 Ų62105.9 Ų105.933%0.32558%0.578SS.*  trans-72.1135.8176-68171.4000110.6L708 E715 L716L708-L711 HydrophobicContact CD1-CD1 4.02Å; L708-L711 HydrophobicContact CG-CD1 4.37Å; L711-E715 HydrophobicContact CB-CB 4.48Å; L711-E715 HydrophobicContact CD2-CB 4.21Å; L711-L716 HydrophobicContact CB-CD1 4.18Å; L711-L716 HydrophobicContact CB-CG 3.97Å; L711-L716 HydrophobicContact CD1-CD2 4.41Å; L711-L716 HydrophobicContact CD1-CG 4.33Å
712T42.4Very low37.5Very low66 Ų66104 Ų10441%0.40557%0.571SS.*  trans-68158.1171.965.60000110.6S714 E715 L716T712-S714 PolarHBondContact O-N 3.36Å; T712-S714 PolarHBondContact OG1-OG 3.21Å; T712-E715 VanDerWaalsContact CB-OE2 3.26Å; T712-E715 WeakPolarHBondContact CB-OE2 3.48Å; T712-E715 WeakPolarHBondContact CG2-OE2 3.39Å; T712-E715 PolarHBondContact N-OE2 3.47Å; T712-E715 PolarHBondContact O-N 3.37Å; T712-E715 WeakPolarHBondContact OG1-CG 3.35Å; T712-E715 PolarHBondContact OG1-N 3.05Å; T712-E715 PolarHBondContact OG1-OE2 3.1Å; T712-L716 PolarHBondContact O-N 3.33Å
713S43.8Very low38.1Very low92 Ų92100.3 Ų100.364%0.64355%0.554SS**Hα-helixtrans-57.7-32.5175.550.90000112.7I717S713-I717 VanDerWaalsContact O-CB 3.32Å; S713-I717 WeakPolarHBondContact O-CB 3.34Å; S713-I717 WeakPolarHBondContact O-CD1 3.49Å; S713-I717 WeakPolarHBondContact O-CG1 3.46Å; S713-I717 PolarHBondContact O-N 3.31Å
714S43.1Very low38.7Very low79 Ų79101 Ų10155%0.55256%0.563SS**Hα-helixtrans-64.2-40173.230.50000113.6T712 K718T712-S714 PolarHBondContact O-N 3.36Å; T712-S714 PolarHBondContact OG1-OG 3.21Å; S714-K718 WeakPolarHBondContact O-CB 3.17Å; S714-K718 PolarHBondContact O-N 3.35Å
715E42.3Very low39.1Very low94 Ų9499.4 Ų99.444%0.43955%0.547SS..Hα-helixtrans-74.9-43.6-178.8-69.3153.215200110.8L711 T712 I717 K718 L719L711-E715 HydrophobicContact CB-CB 4.48Å; L711-E715 HydrophobicContact CD2-CB 4.21Å; T712-E715 VanDerWaalsContact CB-OE2 3.26Å; T712-E715 WeakPolarHBondContact CB-OE2 3.48Å; T712-E715 WeakPolarHBondContact CG2-OE2 3.39Å; T712-E715 PolarHBondContact N-OE2 3.47Å; T712-E715 PolarHBondContact O-N 3.37Å; T712-E715 WeakPolarHBondContact OG1-CG 3.35Å; T712-E715 PolarHBondContact OG1-N 3.05Å; T712-E715 PolarHBondContact OG1-OE2 3.1Å; E715-I717 PolarHBondContact O-N 3.4Å; E715-K718 WeakPolarHBondContact O-CB 3.35Å; E715-K718 PolarHBondContact O-N 3.01Å; E715-K718 VanDerWaalsContact O-N 3.13Å; E715-L719 PolarHBondContact O-N 3.5Å
716L40.6Very low39.1Very low53 Ų5397.9 Ų97.928%0.27754%0.538SS..Hα-helixtrans-57.6-45.8171.4-88.2161.3000112.1L711 T712 K718 L719 F720L711-L716 HydrophobicContact CB-CD1 4.18Å; L711-L716 HydrophobicContact CB-CG 3.97Å; L711-L716 HydrophobicContact CD1-CD2 4.41Å; L711-L716 HydrophobicContact CD1-CG 4.33Å; T712-L716 PolarHBondContact O-N 3.33Å; L716-K718 VanDerWaalsContact C-N 3.3Å; L716-K718 PolarHBondContact O-N 3.39Å; L716-L719 PolarHBondContact O-N 3.39Å; L716-F720 HydrophobicContact CD2-CE2 4.15Å; L716-F720 VanDerWaalsContact O-CD2 3.26Å; L716-F720 WeakPolarHBondContact O-CD2 3.2Å; L716-F720 PolarHBondContact O-N 3.34Å
717I38.6Very low39.2Very low106 Ų10694.8 Ų94.854%0.54452%0.522SS..Hα-helixtrans-61-40.6175.2-73.5166.1000110.7S713 E715 L719 F720 T721S713-I717 VanDerWaalsContact O-CB 3.32Å; S713-I717 WeakPolarHBondContact O-CB 3.34Å; S713-I717 WeakPolarHBondContact O-CD1 3.49Å; S713-I717 WeakPolarHBondContact O-CG1 3.46Å; S713-I717 PolarHBondContact O-N 3.31Å; E715-I717 PolarHBondContact O-N 3.4Å; I717-L719 PolarHBondContact O-N 2.92Å; I717-F720 CarbonylContact O-C 3.37Å; I717-F720 PolarHBondContact O-N 3.19Å; I717-T721 HydrophobicContact CG2-CG2 3.91Å; I717-T721 VanDerWaalsContact O-CB 3.32Å; I717-T721 WeakPolarHBondContact O-CB 3.31Å; I717-T721 VanDerWaalsContact O-CG2 3.27Å; I717-T721 WeakPolarHBondContact O-CG2 3.48Å; I717-T721 PolarHBondContact O-N 2.74Å; I717-T721 PolarHBondContact O-OG1 3.4Å
718K37.5Very low39.2Very low144 Ų14495.4 Ų95.463%0.62652%0.52SS*.Hα-helixtrans-61.7-45.3178.3-147.3-179.7-176.5-168.50111.5S714 E715 L716 F720 T721 D722S714-K718 WeakPolarHBondContact O-CB 3.17Å; S714-K718 PolarHBondContact O-N 3.35Å; E715-K718 WeakPolarHBondContact O-CB 3.35Å; E715-K718 PolarHBondContact O-N 3.01Å; E715-K718 VanDerWaalsContact O-N 3.13Å; L716-K718 VanDerWaalsContact C-N 3.3Å; L716-K718 PolarHBondContact O-N 3.39Å; K718-F720 PolarHBondContact O-N 2.89Å; K718-T721 PolarHBondContact O-N 3.33Å; K718-T721 VanDerWaalsContact O-N 3.11Å; K718-D722 PolarHBondContact O-N 2.84Å
719L38.9Very low39Very low100 Ų10094.9 Ų94.952%0.52452%0.517SS..Hα-helixtrans-61.5-28.6179.1-135.8159.2000113M701 E715 L716 I717M701-L719 HydrophobicContact CE-CD2 4.32Å; E715-L719 PolarHBondContact O-N 3.5Å; L716-L719 PolarHBondContact O-N 3.39Å; I717-L719 PolarHBondContact O-N 2.92Å
720F38.9Very low38.7Very low157 Ų15795.7 Ų95.769%0.68952%0.518SS*.Hα-helixtrans-99.1-8174.6-69.6-65.8000115.2L716 I717 K718L716-F720 HydrophobicContact CD2-CE2 4.15Å; L716-F720 VanDerWaalsContact O-CD2 3.26Å; L716-F720 WeakPolarHBondContact O-CD2 3.2Å; L716-F720 PolarHBondContact O-N 3.34Å; I717-F720 CarbonylContact O-C 3.37Å; I717-F720 PolarHBondContact O-N 3.19Å; K718-F720 PolarHBondContact O-N 2.89Å
721T37.8Very low38.5Very low85 Ų8593.7 Ų93.752%0.52151%0.514SS..Hα-helixtrans-107.2-14.717953.80000114.1I717 K718 T723I717-T721 HydrophobicContact CG2-CG2 3.91Å; I717-T721 VanDerWaalsContact O-CB 3.32Å; I717-T721 WeakPolarHBondContact O-CB 3.31Å; I717-T721 VanDerWaalsContact O-CG2 3.27Å; I717-T721 WeakPolarHBondContact O-CG2 3.48Å; I717-T721 PolarHBondContact O-N 2.74Å; I717-T721 PolarHBondContact O-OG1 3.4Å; K718-T721 PolarHBondContact O-N 3.33Å; K718-T721 VanDerWaalsContact O-N 3.11Å; T721-T723 PolarHBondContact O-N 3.1Å
722D36.6Very low38Very low83 Ų8395.7 Ų95.744%0.44453%0.529SS..  trans-76.666.6175.7-151.4-25.7000113K718 T724 G725K718-D722 PolarHBondContact O-N 2.84Å; D722-T724 PolarHBondContact O-N 3.21Å; D722-T724 WeakPolarHBondContact OD1-CB 3.4Å; D722-T724 PolarHBondContact OD1-N 3.43Å; D722-T724 PolarHBondContact OD1-OG1 3.18Å; D722-G725 PolarHBondContact O-N 3.42Å
723T42.4Very low37.7Very low86 Ų8697.2 Ų97.253%0.52854%0.535SS..THydrogen-bonded Turntrans-67.412174.355.20000113.8T721 F728T721-T723 PolarHBondContact O-N 3.1Å; T723-F728 HydrophobicContact CG2-CD1 4.19Å; T723-F728 HydrophobicContact CG2-CE1 3.96Å; T723-F728 HydrophobicContact CG2-CZ 4.42Å
724T41.5Very low37.4Very low113 Ų11397.4 Ų97.469%0.69353%0.529SS*.THydrogen-bonded Turntrans-97.9-17.5177.378.20000113.5D722D722-T724 PolarHBondContact O-N 3.21Å; D722-T724 WeakPolarHBondContact OD1-CB 3.4Å; D722-T724 PolarHBondContact OD1-N 3.43Å; D722-T724 PolarHBondContact OD1-OG1 3.18Å
725G35.2Very low37.1Very low21 Ų2198.4 Ų98.422%0.21653%0.528CS..SBendtrans-70.4136.4174.600000112.9D722 D727 F728 I729D722-G725 PolarHBondContact O-N 3.42Å; G725-D727 PolarHBondContact O-N 3.11Å; G725-F728 PolarHBondContact O-N 3.34Å; G725-F728 VanDerWaalsContact O-N 3.15Å; G725-I729 PolarHBondContact O-N 3.19Å
726E34.7Very low36.8Very low143 Ų14398.7 Ų98.767%0.66853%0.533SS*.Hα-helixtrans-63.7-27.1177.5-61.9-170.7129.900112.1F728 I729 T730E726-F728 VanDerWaalsContact C-N 3.33Å; E726-F728 PolarHBondContact O-N 3.23Å; E726-I729 CarbonylContact O-C 3.59Å; E726-I729 PolarHBondContact O-N 3.18Å; E726-I729 VanDerWaalsContact O-N 3.13Å; E726-T730 PolarHBondContact O-N 3.44Å; E726-T730 PolarHBondContact O-OG1 3.48Å
727D35.5Very low36.6Very low87 Ų87101.6 Ų101.647%0.46555%0.549SS..Hα-helixtrans-57.6-41.7172.7-59.3-15.3000112H698 G725 T730 S731H698-D727 IonicContact CD2-OD2 3.57Å; G725-D727 PolarHBondContact O-N 3.11Å; D727-T730 WeakPolarHBondContact CA-OG1 3.5Å; D727-T730 PolarHBondContact O-N 3.1Å; D727-T730 PolarHBondContact O-OG1 3.49Å; D727-T730 VanDerWaalsContact O-OG1 3.12Å; D727-S731 VanDerWaalsContact O-CB 3.29Å; D727-S731 WeakPolarHBondContact O-CB 3.43Å; D727-S731 PolarHBondContact O-N 3.06Å; D727-S731 PolarHBondContact O-OG 3.35Å
728F32.6Very low36.4Very low97 Ų97101.3 Ų101.343%0.42555%0.549SS..Hα-helixtrans-67.4-42.4175.3-174.8-100.6000111.1T723 G725 E726 T730 S731 V732T723-F728 HydrophobicContact CG2-CD1 4.19Å; T723-F728 HydrophobicContact CG2-CE1 3.96Å; T723-F728 HydrophobicContact CG2-CZ 4.42Å; G725-F728 PolarHBondContact O-N 3.34Å; G725-F728 VanDerWaalsContact O-N 3.15Å; E726-F728 VanDerWaalsContact C-N 3.33Å; E726-F728 PolarHBondContact O-N 3.23Å; F728-T730 VanDerWaalsContact C-N 3.26Å; F728-T730 PolarHBondContact O-N 3.47Å; F728-S731 WeakPolarHBondContact CA-OG 3.42Å; F728-S731 PolarHBondContact O-N 3.49Å; F728-S731 PolarHBondContact O-OG 3.12Å; F728-V732 HydrophobicContact CD1-CG2 4.46Å; F728-V732 HydrophobicContact CE1-CG2 4.02Å; F728-V732 HydrophobicContact CE2-CG2 4.08Å; F728-V732 HydrophobicContact CZ-CG2 3.82Å; F728-V732 WeakPolarHBondContact O-CG2 3.5Å; F728-V732 PolarHBondContact O-N 3.19Å
729I36.1Very low36.4Very low98 Ų9898.2 Ų98.250%0.50354%0.544SS..Hα-helixtrans-67.1-25.7-179.1-59.7174.9000112.3G725 E726G725-I729 PolarHBondContact O-N 3.19Å; E726-I729 CarbonylContact O-C 3.59Å; E726-I729 PolarHBondContact O-N 3.18Å; E726-I729 VanDerWaalsContact O-N 3.13Å
730T34.2Very low36.2Very low115 Ų11598.1 Ų98.171%0.70655%0.545SS*.Hα-helixtrans-91.6-21.8175.9470000113.3E726 D727 F728E726-T730 PolarHBondContact O-N 3.44Å; E726-T730 PolarHBondContact O-OG1 3.48Å; D727-T730 WeakPolarHBondContact CA-OG1 3.5Å; D727-T730 PolarHBondContact O-N 3.1Å; D727-T730 PolarHBondContact O-OG1 3.49Å; D727-T730 VanDerWaalsContact O-OG1 3.12Å; F728-T730 VanDerWaalsContact C-N 3.26Å; F728-T730 PolarHBondContact O-N 3.47Å
731S34.1Very low35.9Very low87 Ų8793.2 Ų93.261%0.60853%0.534SS*.Hα-helixtrans-79.5-15.3173.773.50000115D727 F728D727-S731 VanDerWaalsContact O-CB 3.29Å; D727-S731 WeakPolarHBondContact O-CB 3.43Å; D727-S731 PolarHBondContact O-N 3.06Å; D727-S731 PolarHBondContact O-OG 3.35Å; F728-S731 WeakPolarHBondContact CA-OG 3.42Å; F728-S731 PolarHBondContact O-N 3.49Å; F728-S731 PolarHBondContact O-OG 3.12Å
732V30.7Very low35.8Very low103 Ų10393.9 Ų93.962%0.62454%0.535SS*.  trans-107.10-178.5178.30000111.4Y145 F728Y145-V732 WeakPolarHBondContact CE2-O 3.43Å; Y145-V732 PolarHBondContact OH-O 3.42Å; Y145-V732 PolarHBondContact OH-OXT 2.73Å; F728-V732 HydrophobicContact CD1-CG2 4.46Å; F728-V732 HydrophobicContact CE1-CG2 4.02Å; F728-V732 HydrophobicContact CE2-CG2 4.08Å; F728-V732 HydrophobicContact CZ-CG2 3.82Å; F728-V732 WeakPolarHBondContact O-CG2 3.5Å; F728-V732 PolarHBondContact O-N 3.19Å

Retrieved 732 of 732 residues in 191 ms (Link to these results)

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