A0A3Q0KL51_SCHMA Loading...

Islet cell autoantigen, putative

AlphaFold DB , UniProt , Accession A0A3Q0KL51, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 559 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
1M31.3Very low42.7Very low240 Ų240126.6 Ų126.6100%1.18266%0.659SS**  080.70-68.6176.9-176.700108.7N3M1-N3 PolarHBondContact O-N 3.08Å
2T36.6Very low43.5Very low142 Ų142129.8 Ų129.887%0.87166%0.655SS**  trans-87.695.1167.538.40000106.4S4T2-S4 PolarHBondContact O-N 3.46Å
3N36.9Very low43.9Very low147 Ų147131 Ų13179%0.78665%0.649SS**  trans-5894.4162.7-89.9-22.8000106.3M1 Y5M1-N3 PolarHBondContact O-N 3.08Å; N3-Y5 VanDerWaalsContact C-N 3.35Å; N3-Y5 PolarHBondContact O-N 2.85Å
4S44.7Very low44.5Very low113 Ų113122.4 Ų122.479%0.7961%0.607SS**  trans-56.9107167.8-174.70000105.2T2 Y6T2-S4 PolarHBondContact O-N 3.46Å; S4-Y6 VanDerWaalsContact C-N 3.27Å; S4-Y6 PolarHBondContact O-N 2.82Å
5Y44.8Very low45.2Very low216 Ų216122.3 Ų122.385%0.84760%0.604SS**  trans-54.797.1176.8-79.8-95.2000107.4N3 N7N3-Y5 VanDerWaalsContact C-N 3.35Å; N3-Y5 PolarHBondContact O-N 2.85Å; Y5-N7 VanDerWaalsContact C-N 3.27Å; Y5-N7 PolarHBondContact O-N 3.41Å
6Y41.7Very low45.7Very low175 Ų175126.5 Ų126.569%0.68661%0.611SS**  trans-62.799.3164.7178.5-100.5000105.4S4 P8 D11S4-Y6 VanDerWaalsContact C-N 3.27Å; S4-Y6 PolarHBondContact O-N 2.82Å; Y6-P8 WeakPolarHBondContact O-CD 3.18Å; Y6-D11 PolarHBondContact OH-OD2 3.34Å
7N46.6Very low46.2Very low73 Ų73121.7 Ų121.739%0.3959%0.591SS.*  trans-90105.4179.9-175.3-4.5000107.7Y5 N9 C10Y5-N7 VanDerWaalsContact C-N 3.27Å; Y5-N7 PolarHBondContact O-N 3.41Å; N7-N9 PolarHBondContact O-N 3.31Å; N7-N9 VanDerWaalsContact O-N 3.09Å; N7-N9 WeakPolarHBondContact OD1-CB 3.38Å; N7-N9 PolarHBondContact OD1-N 3.36Å; N7-N9 PolarHBondContact OD1-ND2 3.07Å; N7-C10 VanDerWaalsContact O-CB 3.26Å; N7-C10 WeakPolarHBondContact O-CB 3.11Å; N7-C10 PolarHBondContact O-N 3.37Å
8P46.2Very low46.8Very low85 Ų85116.3 Ų116.355%0.55257%0.565SS**Hα-helixtrans-62-15.2176.622.4-31.7000113.1Y6 C10 D11 R12Y6-P8 WeakPolarHBondContact O-CD 3.18Å; P8-C10 VanDerWaalsContact C-N 3.29Å; P8-D11 PolarHBondContact O-N 3.19Å; P8-R12 PolarHBondContact O-N 3.17Å
9N43.9Very low47.6Very low101 Ų101116.5 Ų116.554%0.5457%0.569SS.*Hα-helixtrans-70.5-24.2169.6-65.3-44.6000112.8N7 R12 Y13N7-N9 PolarHBondContact O-N 3.31Å; N7-N9 VanDerWaalsContact O-N 3.09Å; N7-N9 WeakPolarHBondContact OD1-CB 3.38Å; N7-N9 PolarHBondContact OD1-N 3.36Å; N7-N9 PolarHBondContact OD1-ND2 3.07Å; N9-R12 PolarHBondContact O-N 3.33Å; N9-Y13 WeakPolarHBondContact O-CB 3.23Å; N9-Y13 PolarHBondContact O-N 3.27Å
10C46.3Very low49.3Very low43 Ų43113.5 Ų113.529%0.29156%0.561SS.*Hα-helixtrans-64.7-43.4171.4-70.30000110.4N7 P8 R12 Y13 I14N7-C10 VanDerWaalsContact O-CB 3.26Å; N7-C10 WeakPolarHBondContact O-CB 3.11Å; N7-C10 PolarHBondContact O-N 3.37Å; P8-C10 VanDerWaalsContact C-N 3.29Å; C10-R12 VanDerWaalsContact C-N 3.3Å; C10-R12 PolarHBondContact O-N 3.45Å; C10-Y13 PolarHBondContact O-N 3.13Å; C10-I14 HydrophobicContact CB-CD1 4.4Å; C10-I14 VanDerWaalsContact O-CB 3.26Å; C10-I14 WeakPolarHBondContact O-CB 3.22Å; C10-I14 VanDerWaalsContact O-CD1 3.32Å; C10-I14 WeakPolarHBondContact O-CD1 3.34Å; C10-I14 WeakPolarHBondContact O-CG1 3.15Å; C10-I14 PolarHBondContact O-N 3.49Å
11D51.2Low51Low58 Ų58113.4 Ų113.431%0.3157%0.567SS.*Hα-helixtrans-61.8-38.3175.6-83.8-29.5000112.1Y6 P8 Q15Y6-D11 PolarHBondContact OH-OD2 3.34Å; P8-D11 PolarHBondContact O-N 3.19Å; D11-Q15 WeakPolarHBondContact O-CB 3.02Å; D11-Q15 VanDerWaalsContact O-CG 3.32Å; D11-Q15 WeakPolarHBondContact O-CG 3.16Å; D11-Q15 PolarHBondContact O-N 2.84Å; D11-Q15 PolarHBondContact O-OE1 3.23Å
12R51.4Low53.7Low164 Ų164104.9 Ų104.962%0.61953%0.531SS*.Hα-helixtrans-70.5-34.9177.3-161.3-174.9-98.6173.9-7.8112.7P8 N9 C10 R16P8-R12 PolarHBondContact O-N 3.17Å; N9-R12 PolarHBondContact O-N 3.33Å; C10-R12 VanDerWaalsContact C-N 3.3Å; C10-R12 PolarHBondContact O-N 3.45Å; R12-R16 PolarHBondContact O-N 3.32Å
13Y49.4Very low56.1Low146 Ų14699 Ų9957%0.57349%0.493SS*.Hα-helixtrans-72.9-40.9174.4-168.6-100000111.6N9 C10 Q15 R16 T17N9-Y13 WeakPolarHBondContact O-CB 3.23Å; N9-Y13 PolarHBondContact O-N 3.27Å; C10-Y13 PolarHBondContact O-N 3.13Å; Y13-Q15 VanDerWaalsContact C-N 3.3Å; Y13-Q15 PolarHBondContact O-N 3.16Å; Y13-R16 PolarHBondContact O-N 2.95Å; Y13-R16 VanDerWaalsContact O-N 3.1Å; Y13-T17 HydrophobicContact CD1-CG2 4.21Å; Y13-T17 HydrophobicContact CE1-CG2 3.92Å; Y13-T17 PolarHBondContact O-N 2.78Å; Y13-T17 PolarHBondContact O-OG1 3.3Å
14I52.6Low58.5Low11 Ų11100.2 Ų100.26%0.05649%0.487CS..Hα-helixtrans-61.6-37.2172.9-69.1163.1000110.9C10 T17 N18 R191 A195C10-I14 HydrophobicContact CB-CD1 4.4Å; C10-I14 VanDerWaalsContact O-CB 3.26Å; C10-I14 WeakPolarHBondContact O-CB 3.22Å; C10-I14 VanDerWaalsContact O-CD1 3.32Å; C10-I14 WeakPolarHBondContact O-CD1 3.34Å; C10-I14 WeakPolarHBondContact O-CG1 3.15Å; C10-I14 PolarHBondContact O-N 3.49Å; I14-T17 WeakPolarHBondContact CA-OG1 3.4Å; I14-T17 PolarHBondContact O-N 2.96Å; I14-T17 PolarHBondContact O-OG1 3.19Å; I14-T17 VanDerWaalsContact O-OG1 3.07Å; I14-N18 VanDerWaalsContact O-CB 3.28Å; I14-N18 WeakPolarHBondContact O-CB 3.46Å; I14-N18 PolarHBondContact O-N 2.88Å; I14-N18 PolarHBondContact O-ND2 2.93Å; I14-R191 HydrophobicContact CD1-CB 4.13Å; I14-A195 HydrophobicContact CG2-CB 3.57Å
15Q53.9Low60.8Low121 Ų121100.8 Ų100.857%0.56548%0.48SS*.Hα-helixtrans-62.8-40.1172.4-83159.9-12.500112.4D11 Y13D11-Q15 WeakPolarHBondContact O-CB 3.02Å; D11-Q15 VanDerWaalsContact O-CG 3.32Å; D11-Q15 WeakPolarHBondContact O-CG 3.16Å; D11-Q15 PolarHBondContact O-N 2.84Å; D11-Q15 PolarHBondContact O-OE1 3.23Å; Y13-Q15 VanDerWaalsContact C-N 3.3Å; Y13-Q15 PolarHBondContact O-N 3.16Å
16R54.4Low63.1Low189 Ų18994.8 Ų94.871%0.71346%0.459SS*.Hα-helixtrans-70.1-35.9176.4-71-175.3-173.3-174.41.7113.2R12 Y13R12-R16 PolarHBondContact O-N 3.32Å; Y13-R16 PolarHBondContact O-N 2.95Å; Y13-R16 VanDerWaalsContact O-N 3.1Å
17T53.8Low65.5Low45 Ų4587.5 Ų87.528%0.27643%0.433SS..Hα-helixtrans-75.7-29.7177.5560000112.5Y13 I14 D19 S20 C192Y13-T17 HydrophobicContact CD1-CG2 4.21Å; Y13-T17 HydrophobicContact CE1-CG2 3.92Å; Y13-T17 PolarHBondContact O-N 2.78Å; Y13-T17 PolarHBondContact O-OG1 3.3Å; I14-T17 WeakPolarHBondContact CA-OG1 3.4Å; I14-T17 PolarHBondContact O-N 2.96Å; I14-T17 PolarHBondContact O-OG1 3.19Å; I14-T17 VanDerWaalsContact O-OG1 3.07Å; T17-D19 PolarHBondContact O-N 2.9Å; T17-S20 WeakPolarHBondContact O-CB 3.4Å; T17-S20 PolarHBondContact O-N 3.49Å; T17-C192 PolarHBondContact OG1-SG 3.26Å; T17-C192 VanDerWaalsContact OG1-SG 3.37Å
18N56.3Low67.7Low24 Ų2486.3 Ų86.313%0.12843%0.434CS..Hα-helixtrans-58-29.7173.7-88.1-27.5000113.4I14 H23I14-N18 VanDerWaalsContact O-CB 3.28Å; I14-N18 WeakPolarHBondContact O-CB 3.46Å; I14-N18 PolarHBondContact O-N 2.88Å; I14-N18 PolarHBondContact O-ND2 2.93Å; N18-H23 PolarHBondContact O-ND1 3.4Å; N18-H23 PolarHBondContact OD1-CE1 3.13Å; N18-H23 PolarHBondContact OD1-NE2 3.1Å
19D63.1Low70.1Confident120 Ų12088.7 Ų88.764%0.64243%0.433SS*.THydrogen-bonded Turntrans-87.2-2.7-177.3-71.3-22.8000114.1T17 T21T17-D19 PolarHBondContact O-N 2.9Å; D19-T21 PolarHBondContact O-N 2.78Å
20S81.5Confident72.6Confident56 Ų5684.8 Ų84.839%0.39241%0.41SS..SBendtrans-59136.2175.4178.20000111.1T17 S22 H23 R24T17-S20 WeakPolarHBondContact O-CB 3.4Å; T17-S20 PolarHBondContact O-N 3.49Å; S20-S22 PolarHBondContact O-N 2.86Å; S20-S22 VanDerWaalsContact O-N 3.1Å; S20-S22 PolarHBondContact OG-N 3.32Å; S20-H23 WeakPolarHBondContact O-CA 3.23Å; S20-H23 WeakPolarHBondContact O-CB 3.12Å; S20-H23 PolarHBondContact O-N 3.35Å; S20-R24 PolarHBondContact O-N 3.02Å
21T85.3Confident75Confident112 Ų11284.1 Ų84.169%0.68741%0.405SS*.Hα-helixtrans-50.4-36.5170.8-51.70000111.7D19 L25D19-T21 PolarHBondContact O-N 2.78Å; T21-L25 WeakPolarHBondContact O-CB 3.48Å; T21-L25 PolarHBondContact O-N 2.92Å
22S87Confident77.2Confident61 Ų6185.4 Ų85.443%0.42742%0.415SS..Hα-helixtrans-65.8-39.8175.9-173.60000112.4S20 L25 K26S20-S22 PolarHBondContact O-N 2.86Å; S20-S22 VanDerWaalsContact O-N 3.1Å; S20-S22 PolarHBondContact OG-N 3.32Å; S22-L25 PolarHBondContact O-N 3.4Å; S22-K26 WeakPolarHBondContact O-CG 3.17Å; S22-K26 PolarHBondContact O-N 3.14Å
23H86.9Confident79.3Confident20 Ų2081.2 Ų81.29%0.09340%0.401CS..Hα-helixtrans-68-45.7178.2-174.4-95.6000111.1N18 S20 L25 K26 S27 W171N18-H23 PolarHBondContact O-ND1 3.4Å; N18-H23 PolarHBondContact OD1-CE1 3.13Å; N18-H23 PolarHBondContact OD1-NE2 3.1Å; S20-H23 WeakPolarHBondContact O-CA 3.23Å; S20-H23 WeakPolarHBondContact O-CB 3.12Å; S20-H23 PolarHBondContact O-N 3.35Å; H23-L25 VanDerWaalsContact C-N 3.34Å; H23-L25 PolarHBondContact O-N 2.7Å; H23-K26 PolarHBondContact O-N 2.65Å; H23-S27 PolarHBondContact O-N 2.78Å; H23-W171 AromaticContact CD2-CH2 3.55Å; H23-W171 AromaticContact NE2-CH2 3.41Å; H23-W171 WeakPolarHBondContact NE2-CH2 3.32Å; H23-W171 AromaticContact NE2-CZ3 3.8Å
24R88.1Confident81.5Confident171 Ų17175 Ų7565%0.64538%0.377SS*.Hα-helixtrans-58.8-43.5174-71.4-18057.3-150-4.8112.4S20 S27 A28S20-R24 PolarHBondContact O-N 3.02Å; R24-S27 PolarHBondContact O-N 3.31Å; R24-A28 WeakPolarHBondContact O-CB 3.43Å; R24-A28 PolarHBondContact O-N 3Å
25L93Very high83.6Confident125 Ų12576 Ų7665%0.65439%0.388SS*.Hα-helixtrans-64-41.6178-175.962.7000111.9T21 S22 H23 A28 Y29T21-L25 WeakPolarHBondContact O-CB 3.48Å; T21-L25 PolarHBondContact O-N 2.92Å; S22-L25 PolarHBondContact O-N 3.4Å; H23-L25 VanDerWaalsContact C-N 3.34Å; H23-L25 PolarHBondContact O-N 2.7Å; L25-A28 PolarHBondContact O-N 2.82Å; L25-Y29 WeakPolarHBondContact O-CB 3.34Å; L25-Y29 PolarHBondContact O-N 2.9Å
26K92.1Very high85.6Confident91 Ų9173.5 Ų73.540%0.39638%0.38SS..Hα-helixtrans-63.2-45.6173.8-73.7171.2-176.81680111.4S22 H23 A28 Y29 W30 W171S22-K26 WeakPolarHBondContact O-CG 3.17Å; S22-K26 PolarHBondContact O-N 3.14Å; H23-K26 PolarHBondContact O-N 2.65Å; K26-A28 VanDerWaalsContact C-N 3.32Å; K26-A28 PolarHBondContact O-N 3.15Å; K26-Y29 WeakPolarHBondContact O-CB 3.2Å; K26-Y29 PolarHBondContact O-N 3.49Å; K26-W30 PolarHBondContact O-N 3.28Å; K26-W171 HydrophobicContact CB-CH2 3.67Å; K26-W171 HydrophobicContact CB-CZ2 3.64Å; K26-W171 HydrophobicContact CB-CZ3 4.38Å; K26-W171 HydrophobicContact CD-CZ2 3.98Å; K26-W171 HydrophobicContact CG-CZ2 4.41Å
27S91.8Very high87.4Confident21 Ų2165.7 Ų65.715%0.14735%0.352CS..Hα-helixtrans-57.1-47.3175.7-170.30000111.1H23 R24 Y29 W30 T31 Q196H23-S27 PolarHBondContact O-N 2.78Å; R24-S27 PolarHBondContact O-N 3.31Å; S27-Y29 PolarHBondContact O-N 3.38Å; S27-W30 PolarHBondContact O-N 3.26Å; S27-T31 PolarHBondContact O-N 3.06Å; S27-T31 PolarHBondContact O-OG1 2.88Å; S27-T31 VanDerWaalsContact O-OG1 3.1Å; S27-Q196 PolarHBondContact OG-NE2 3.11Å
28A93.9Very high89.2Confident49 Ų4967.8 Ų67.841%0.40536%0.358SS..Hα-helixtrans-62.5-40.4177.400000112.4R24 L25 K26 T31 T32R24-A28 WeakPolarHBondContact O-CB 3.43Å; R24-A28 PolarHBondContact O-N 3Å; L25-A28 PolarHBondContact O-N 2.82Å; K26-A28 VanDerWaalsContact C-N 3.32Å; K26-A28 PolarHBondContact O-N 3.15Å; A28-T31 PolarHBondContact O-N 3.21Å; A28-T32 VanDerWaalsContact O-CB 3.32Å; A28-T32 WeakPolarHBondContact O-CB 3.28Å; A28-T32 PolarHBondContact O-N 3.13Å; A28-T32 PolarHBondContact O-OG1 3.05Å
29Y97.2Very high90.9Very high134 Ų13475.2 Ų75.253%0.52539%0.389SS..Hα-helixtrans-58.5-48.1174.6167.4-97.6000111.7L25 K26 S27 T32 K33L25-Y29 WeakPolarHBondContact O-CB 3.34Å; L25-Y29 PolarHBondContact O-N 2.9Å; K26-Y29 WeakPolarHBondContact O-CB 3.2Å; K26-Y29 PolarHBondContact O-N 3.49Å; S27-Y29 PolarHBondContact O-N 3.38Å; Y29-T32 PolarHBondContact O-N 2.91Å; Y29-K33 HydrophobicContact CE1-CD 4.23Å; Y29-K33 WeakPolarHBondContact O-CB 3.36Å; Y29-K33 PolarHBondContact O-N 3.4Å
30W96.2Very high92.3Very high20 Ų2074.2 Ų74.28%0.07638%0.383CS..Hα-helixtrans-69.9-38.3-179-71.8109000113.1K26 S27 T32 K33 Q34 L170 W171 N174K26-W30 PolarHBondContact O-N 3.28Å; S27-W30 PolarHBondContact O-N 3.26Å; W30-T32 VanDerWaalsContact C-N 3.33Å; W30-T32 PolarHBondContact O-N 3.48Å; W30-K33 HydrophobicContact CE3-CD 3.84Å; W30-K33 HydrophobicContact CZ3-CD 3.77Å; W30-K33 PolarHBondContact O-N 3.17Å; W30-Q34 WeakPolarHBondContact O-CB 3.43Å; W30-Q34 PolarHBondContact O-N 3.42Å; W30-L170 HydrophobicContact CE3-CB 4.37Å; W30-L170 HydrophobicContact CE3-CD2 3.95Å; W30-L170 HydrophobicContact CE3-CG 3.83Å; W30-L170 HydrophobicContact CZ3-CD2 4.09Å; W30-L170 HydrophobicContact CZ3-CG 3.78Å; W30-W171 HydrophobicContact CB-CB 4.03Å; W30-W171 AromaticContact CD1-CD1 3.55Å; W30-W171 AromaticContact CD1-CD2 3.38Å; W30-W171 AromaticContact CD1-CE2 3.85Å; W30-W171 AromaticContact CD1-CE3 3.91Å; W30-W171 AromaticContact CD1-CG 3.19Å; W30-W171 AromaticContact CD1-NE1 3.92Å; W30-W171 HydrophobicContact CD2-CB 3.7Å; W30-W171 HydrophobicContact CD2-CG 4.02Å; W30-W171 AromaticContact CE2-CD1 3.49Å; W30-W171 VanDerWaalsContact CE2-CD1 3.49Å; W30-W171 AromaticContact CE2-CG 3.75Å; W30-W171 HydrophobicContact CE3-CB 4.34Å; W30-W171 HydrophobicContact CG-CB 3.51Å; W30-W171 HydrophobicContact CG-CD2 4.21Å; W30-W171 AromaticContact CG-CG 3.73Å; W30-W171 HydrophobicContact CG-CG 3.73Å; W30-W171 AromaticContact CZ2-CD1 3.95Å; W30-W171 AromaticContact NE1-CD1 3.04Å; W30-W171 AromaticContact NE1-CD2 3.68Å; W30-W171 AromaticContact NE1-CE2 3.78Å; W30-W171 AromaticContact NE1-CG 3.24Å; W30-W171 AromaticContact NE1-NE1 3.4Å; W30-N174 HydrophobicContact CH2-CB 3.5Å; W30-N174 VanDerWaalsContact CH2-CB 3.5Å; W30-N174 WeakPolarHBondContact CH2-OD1 3.33Å; W30-N174 HydrophobicContact CZ2-CB 4.02Å; W30-N174 VanDerWaalsContact CZ2-OD1 3.29Å; W30-N174 WeakPolarHBondContact CZ2-OD1 3.48Å; W30-N174 HydrophobicContact CZ3-CB 4.26Å
31T96.5Very high92.6Very high28 Ų2882.6 Ų82.617%0.17241%0.406CS..Hα-helixtrans-58.8-45.8170.2-60.30000111S27 A28 Q34 A35 T163 E164S27-T31 PolarHBondContact O-N 3.06Å; S27-T31 PolarHBondContact O-OG1 2.88Å; S27-T31 VanDerWaalsContact O-OG1 3.1Å; A28-T31 PolarHBondContact O-N 3.21Å; T31-Q34 PolarHBondContact O-N 2.97Å; T31-A35 PolarHBondContact O-N 3.35Å; T31-T163 HydrophobicContact CG2-CG2 4.22Å; T31-E164 HydrophobicContact CG2-CB 4.45Å; T31-E164 HydrophobicContact CG2-CG 3.68Å
32T96.4Very high92.8Very high85 Ų8584.5 Ų84.552%0.52140%0.401SS..Hα-helixtrans-64.9-44.3178.8-560000111.3A28 Y29 W30 Q34 A35 V36A28-T32 VanDerWaalsContact O-CB 3.32Å; A28-T32 WeakPolarHBondContact O-CB 3.28Å; A28-T32 PolarHBondContact O-N 3.13Å; A28-T32 PolarHBondContact O-OG1 3.05Å; Y29-T32 PolarHBondContact O-N 2.91Å; W30-T32 VanDerWaalsContact C-N 3.33Å; W30-T32 PolarHBondContact O-N 3.48Å; T32-Q34 VanDerWaalsContact C-N 3.29Å; T32-Q34 PolarHBondContact O-N 2.86Å; T32-A35 WeakPolarHBondContact O-CB 3.43Å; T32-A35 PolarHBondContact O-N 3.05Å; T32-A35 VanDerWaalsContact O-N 3.17Å; T32-V36 WeakPolarHBondContact O-CG2 3.31Å; T32-V36 PolarHBondContact O-N 3.06Å
33K96.8Very high92.9Very high77 Ų7789.8 Ų89.834%0.33542%0.416SS..Hα-helixtrans-58-42.6175.1-176.7175176.7178.90111.2Y29 W30 V36 I37 L170Y29-K33 HydrophobicContact CE1-CD 4.23Å; Y29-K33 WeakPolarHBondContact O-CB 3.36Å; Y29-K33 PolarHBondContact O-N 3.4Å; W30-K33 HydrophobicContact CE3-CD 3.84Å; W30-K33 HydrophobicContact CZ3-CD 3.77Å; W30-K33 PolarHBondContact O-N 3.17Å; K33-V36 PolarHBondContact O-N 3.25Å; K33-I37 HydrophobicContact CG-CD1 4.23Å; K33-I37 WeakPolarHBondContact O-CG1 3.37Å; K33-I37 PolarHBondContact O-N 3.04Å; K33-L170 HydrophobicContact CD-CD2 4.23Å; K33-L170 HydrophobicContact CG-CD2 4.26Å
34Q95.5Very high93Very high14 Ų1491 Ų917%0.06542%0.422CS..Hα-helixtrans-65.2-42175.9-179.858.424.900112.3W30 T31 T32 V36 I37 K38 T163 R166W30-Q34 WeakPolarHBondContact O-CB 3.43Å; W30-Q34 PolarHBondContact O-N 3.42Å; T31-Q34 PolarHBondContact O-N 2.97Å; T32-Q34 VanDerWaalsContact C-N 3.29Å; T32-Q34 PolarHBondContact O-N 2.86Å; Q34-V36 VanDerWaalsContact C-N 3.28Å; Q34-V36 PolarHBondContact O-N 3.18Å; Q34-I37 PolarHBondContact O-N 3.4Å; Q34-K38 PolarHBondContact O-N 3.36Å; Q34-T163 HydrophobicContact CB-CG2 4.48Å; Q34-T163 HydrophobicContact CG-CG2 4.27Å; Q34-R166 HydrophobicContact CG-CB 3.7Å
35A94.9Very high93.1Very high34 Ų3486.2 Ų86.228%0.28141%0.409SS..Hα-helixtrans-59.4-40.5174.600000111.8T31 T32 K38 K39 T163T31-A35 PolarHBondContact O-N 3.35Å; T32-A35 WeakPolarHBondContact O-CB 3.43Å; T32-A35 PolarHBondContact O-N 3.05Å; T32-A35 VanDerWaalsContact O-N 3.17Å; A35-K38 PolarHBondContact O-N 3.34Å; A35-K39 WeakPolarHBondContact O-CG 3.23Å; A35-K39 PolarHBondContact O-N 3.35Å; A35-T163 HydrophobicContact CB-CG2 3.97Å
36V95.8Very high93Very high67 Ų6786.2 Ų86.241%0.40641%0.406SS..Hα-helixtrans-65.7-44.7175.5172.40000111.5T32 K33 Q34 K38 K39 L40T32-V36 WeakPolarHBondContact O-CG2 3.31Å; T32-V36 PolarHBondContact O-N 3.06Å; K33-V36 PolarHBondContact O-N 3.25Å; Q34-V36 VanDerWaalsContact C-N 3.28Å; Q34-V36 PolarHBondContact O-N 3.18Å; V36-K38 VanDerWaalsContact C-N 3.29Å; V36-K38 PolarHBondContact O-N 2.95Å; V36-K39 PolarHBondContact O-N 3.44Å; V36-L40 HydrophobicContact CG1-CD1 3.63Å; V36-L40 HydrophobicContact CG1-CG 4.14Å; V36-L40 WeakPolarHBondContact O-CB 3.41Å; V36-L40 WeakPolarHBondContact O-CG 3.42Å; V36-L40 PolarHBondContact O-N 3.5Å
37I93.7Very high93.1Very high25 Ų2588 Ų8813%0.12842%0.419CS..Hα-helixtrans-56.3-45.3175.7-73.9167.6000110.8K33 Q34 R41 R42 Q44 L170K33-I37 HydrophobicContact CG-CD1 4.23Å; K33-I37 WeakPolarHBondContact O-CG1 3.37Å; K33-I37 PolarHBondContact O-N 3.04Å; Q34-I37 PolarHBondContact O-N 3.4Å; I37-R41 PolarHBondContact O-N 2.91Å; I37-R42 HydrophobicContact CG2-CB 4.07Å; I37-R42 PolarHBondContact O-N 3.26Å; I37-R42 VanDerWaalsContact O-N 3.09Å; I37-Q44 HydrophobicContact CG2-CG 3.85Å; I37-L170 HydrophobicContact CD1-CD2 3.64Å
38K90.6Very high93.1Very high90 Ų9088.7 Ų88.739%0.39142%0.421SS..Hα-helixtrans-62.2-50177.3-175.5-177.4178.3-173.90111.7Q34 A35 V36 L40 R41 E159Q34-K38 PolarHBondContact O-N 3.36Å; A35-K38 PolarHBondContact O-N 3.34Å; V36-K38 VanDerWaalsContact C-N 3.29Å; V36-K38 PolarHBondContact O-N 2.95Å; K38-L40 PolarHBondContact O-N 2.89Å; K38-R41 PolarHBondContact O-N 3.17Å; K38-R41 VanDerWaalsContact O-N 3.09Å; K38-E159 VanDerWaalsContact NZ-CD 3.33Å; K38-E159 IonicContact NZ-OE1 3.22Å; K38-E159 PolarHBondContact NZ-OE1 3.37Å
39K91.6Very high93Very high180 Ų18089.4 Ų89.478%0.78342%0.42SS*.Hα-helixtrans-62.8-40.5-179.5-77.3-173.2175.8-173.10112.7A35 V36 R41A35-K39 WeakPolarHBondContact O-CG 3.23Å; A35-K39 PolarHBondContact O-N 3.35Å; V36-K39 PolarHBondContact O-N 3.44Å; K39-R41 PolarHBondContact O-N 3.46Å
40L92.8Very high92.8Very high99 Ų9986 Ų8652%0.51842%0.42SS..THydrogen-bonded Turntrans-77.44.7176.7-65.2179.4000113.4V36 K38 R42V36-L40 HydrophobicContact CG1-CD1 3.63Å; V36-L40 HydrophobicContact CG1-CG 4.14Å; V36-L40 WeakPolarHBondContact O-CB 3.41Å; V36-L40 WeakPolarHBondContact O-CG 3.42Å; V36-L40 PolarHBondContact O-N 3.5Å; K38-L40 PolarHBondContact O-N 2.89Å; L40-R42 HydrophobicContact CB-CG 4.11Å; L40-R42 PolarHBondContact O-N 3.32Å; L40-R42 VanDerWaalsContact O-N 3.09Å
41R88.5Confident92.6Very high231 Ų23188.9 Ų88.987%0.87244%0.443SS*.THydrogen-bonded Turntrans50.135.5-179.4-58.7-175.7177.3-170.4-0.7113.4I37 K38 K39I37-R41 PolarHBondContact O-N 2.91Å; K38-R41 PolarHBondContact O-N 3.17Å; K38-R41 VanDerWaalsContact O-N 3.09Å; K39-R41 PolarHBondContact O-N 3.46Å
42R90.5Very high92.5Very high153 Ų15387.8 Ų87.858%0.57744%0.436SS*.  trans-72.2155.7176.6-70.5-177.2-179.7179.70.3110.3I37 L40 Q44I37-R42 HydrophobicContact CG2-CB 4.07Å; I37-R42 PolarHBondContact O-N 3.26Å; I37-R42 VanDerWaalsContact O-N 3.09Å; L40-R42 HydrophobicContact CB-CG 4.11Å; L40-R42 PolarHBondContact O-N 3.32Å; L40-R42 VanDerWaalsContact O-N 3.09Å; R42-Q44 PolarHBondContact O-N 2.65Å
43K88.6Confident92.5Very high171 Ų17186.7 Ų86.774%0.74343%0.432SS*.  trans-56.9125.9176.6-171.3172.1-178.1173.80109.9E46K43-E46 WeakPolarHBondContact CE-OE1 2.91Å; K43-E46 IonicContact NZ-OE1 3.31Å; K43-E46 PolarHBondContact NZ-OE1 3.39Å
44Q88.8Confident92.4Very high47 Ų4787.9 Ų87.922%0.2244%0.442CS..  trans-105.9168.2175.3-68.2-179.371.700109.4I37 R42 E46 V49I37-Q44 HydrophobicContact CG2-CG 3.85Å; R42-Q44 PolarHBondContact O-N 2.65Å; Q44-E46 PolarHBondContact O-N 3.29Å; Q44-V49 HydrophobicContact CB-CG2 3.97Å
45D89.8Confident92.5Very high70 Ų7087.2 Ų87.237%0.37444%0.439SS..  trans-60.7120.8175.6-169.1-45.7000110.2N47 I48 V49D45-N47 VanDerWaalsContact C-N 3.27Å; D45-N47 PolarHBondContact O-N 2.75Å; D45-N47 WeakPolarHBondContact OD1-CB 3.46Å; D45-N47 PolarHBondContact OD1-N 3.13Å; D45-I48 HydrophobicContact CB-CB 4.09Å; D45-I48 HydrophobicContact CB-CD1 3.65Å; D45-I48 HydrophobicContact CB-CG1 3.76Å; D45-I48 PolarHBondContact O-N 3.02Å; D45-V49 WeakPolarHBondContact O-CG2 3.04Å; D45-V49 PolarHBondContact O-N 3.08Å
46E91.7Very high92.6Very high125 Ų12588.5 Ų88.558%0.58444%0.441SS*.Hα-helixtrans-61.1-35.8-175.5-68172.4-168.700111.6K43 Q44 V49 A50K43-E46 WeakPolarHBondContact CE-OE1 2.91Å; K43-E46 IonicContact NZ-OE1 3.31Å; K43-E46 PolarHBondContact NZ-OE1 3.39Å; Q44-E46 PolarHBondContact O-N 3.29Å; E46-V49 PolarHBondContact O-N 3.24Å; E46-A50 VanDerWaalsContact O-CB 3.29Å; E46-A50 WeakPolarHBondContact O-CB 3.45Å; E46-A50 PolarHBondContact O-N 3.19Å
47N92.6Very high92.7Very high128 Ų12888.4 Ų88.468%0.68445%0.447SS*.Hα-helixtrans-71.9-36.5-179.9-62.6-48000111.8D45 S51D45-N47 VanDerWaalsContact C-N 3.27Å; D45-N47 PolarHBondContact O-N 2.75Å; D45-N47 WeakPolarHBondContact OD1-CB 3.46Å; D45-N47 PolarHBondContact OD1-N 3.13Å; N47-S51 WeakPolarHBondContact O-CB 3.41Å; N47-S51 PolarHBondContact O-N 3.14Å
48I92.1Very high92.9Very high36 Ų3689.8 Ų89.819%0.18545%0.452CS..Hα-helixtrans-68.2-41.9176.4-59.7179000109.8D45 S51 D52 R166 L169D45-I48 HydrophobicContact CB-CB 4.09Å; D45-I48 HydrophobicContact CB-CD1 3.65Å; D45-I48 HydrophobicContact CB-CG1 3.76Å; D45-I48 PolarHBondContact O-N 3.02Å; I48-S51 PolarHBondContact O-N 3.48Å; I48-D52 WeakPolarHBondContact O-CB 3.4Å; I48-D52 PolarHBondContact O-N 3.14Å; I48-R166 HydrophobicContact CG2-CG 3.84Å; I48-L169 HydrophobicContact CD1-CB 4.34Å; I48-L169 HydrophobicContact CD1-CD1 3.53Å; I48-L169 HydrophobicContact CG1-CD1 4.17Å
49V92.5Very high93.3Very high63 Ų6386.6 Ų86.638%0.38244%0.44SS..Hα-helixtrans-65.1-43.9176.6174.80000110.9Q44 D45 E46 S51 D52Q44-V49 HydrophobicContact CB-CG2 3.97Å; D45-V49 WeakPolarHBondContact O-CG2 3.04Å; D45-V49 PolarHBondContact O-N 3.08Å; E46-V49 PolarHBondContact O-N 3.24Å; V49-S51 PolarHBondContact O-N 3.33Å; V49-D52 WeakPolarHBondContact O-CB 3.41Å; V49-D52 PolarHBondContact O-N 2.95Å; V49-D52 VanDerWaalsContact O-N 3.12Å
50A93Very high93.6Very high62 Ų6283.1 Ų83.151%0.51243%0.426SS..Hα-helixtrans-62.5-41.2176.900000112.4E46 D52 S53E46-A50 VanDerWaalsContact O-CB 3.29Å; E46-A50 WeakPolarHBondContact O-CB 3.45Å; E46-A50 PolarHBondContact O-N 3.19Å; A50-D52 PolarHBondContact O-N 2.61Å; A50-S53 WeakPolarHBondContact O-CB 3.35Å; A50-S53 PolarHBondContact O-N 3.42Å; A50-S53 PolarHBondContact O-OG 2.9Å; A50-S53 VanDerWaalsContact O-OG 3.13Å
51S92.4Very high93.8Very high81 Ų8181.5 Ų81.557%0.56642%0.418SS*.THydrogen-bonded Turntrans-63.1-13.7176.4-178.60000114.1N47 I48 V49 K208N47-S51 WeakPolarHBondContact O-CB 3.41Å; N47-S51 PolarHBondContact O-N 3.14Å; I48-S51 PolarHBondContact O-N 3.48Å; V49-S51 PolarHBondContact O-N 3.33Å; S51-K208 PolarHBondContact O-NZ 3.29Å
52D94.7Very high94.3Very high5 Ų570.8 Ų70.83%0.02738%0.378CS..THydrogen-bonded Turntrans-101-4.5-173.1-99.2-31000112.9I48 V49 A50 D54 L55 D56 R162 R166I48-D52 WeakPolarHBondContact O-CB 3.4Å; I48-D52 PolarHBondContact O-N 3.14Å; V49-D52 WeakPolarHBondContact O-CB 3.41Å; V49-D52 PolarHBondContact O-N 2.95Å; V49-D52 VanDerWaalsContact O-N 3.12Å; A50-D52 PolarHBondContact O-N 2.61Å; D52-D54 PolarHBondContact O-N 3.41Å; D52-L55 PolarHBondContact O-N 3.45Å; D52-D56 PolarHBondContact O-N 3.12Å; D52-R162 VanDerWaalsContact CG-CZ 3.45Å; D52-R162 PolarHBondContact O-NH2 3.22Å; D52-R162 IonicContact OD1-CZ 2.7Å; D52-R162 IonicContact OD1-NE 3.9Å; D52-R162 PolarHBondContact OD1-NE 3.17Å; D52-R162 IonicContact OD1-NH2 2.9Å; D52-R162 PolarHBondContact OD1-NH2 3.35Å; D52-R162 IonicContact OD2-CZ 2.95Å; D52-R162 IonicContact OD2-NE 3.54Å; D52-R162 PolarHBondContact OD2-NE 3.18Å; D52-R162 IonicContact OD2-NH2 3.62Å; D52-R166 IonicContact OD2-CZ 2.86Å; D52-R166 IonicContact OD2-NE 2.59Å; D52-R166 PolarHBondContact OD2-NE 2.99Å; D52-R166 VanDerWaalsContact OD2-NE 3.11Å; D52-R166 IonicContact OD2-NH2 2.73Å; D52-R166 PolarHBondContact OD2-NH2 3.31Å
53S95.5Very high94.6Very high63 Ų6368.2 Ų68.244%0.44137%0.371SS..Hα-helixtrans-52.7-47.2-17658.30000114.1A50 L55 D56 A57A50-S53 WeakPolarHBondContact O-CB 3.35Å; A50-S53 PolarHBondContact O-N 3.42Å; A50-S53 PolarHBondContact O-OG 2.9Å; A50-S53 VanDerWaalsContact O-OG 3.13Å; S53-L55 VanDerWaalsContact C-N 3.3Å; S53-L55 PolarHBondContact O-N 3.11Å; S53-D56 PolarHBondContact O-N 3.37Å; S53-A57 PolarHBondContact O-N 3.32Å
54D95.7Very high95.1Very high102 Ų10262.9 Ų62.955%0.54536%0.355SS..Hα-helixtrans-68.2-36-174.4-57.5-17.1000111.4D52 K58 M212D52-D54 PolarHBondContact O-N 3.41Å; D54-K58 WeakPolarHBondContact O-CG 3.49Å; D54-K58 PolarHBondContact O-N 2.97Å; D54-M212 HydrophobicContact CB-CE 4.33Å
55L97.4Very high95.5Very high0 Ų060.9 Ų60.90%035%0.346CS..Hα-helixtrans-67.7-45.7174.7174.160000109.8D52 S53 A57 K58 L59 M158 F204 K208 M212D52-L55 PolarHBondContact O-N 3.45Å; S53-L55 VanDerWaalsContact C-N 3.3Å; S53-L55 PolarHBondContact O-N 3.11Å; L55-A57 VanDerWaalsContact C-N 3.3Å; L55-A57 PolarHBondContact O-N 2.93Å; L55-K58 WeakPolarHBondContact O-CB 3.16Å; L55-K58 PolarHBondContact O-N 3.37Å; L55-K58 VanDerWaalsContact O-N 3.11Å; L55-L59 HydrophobicContact CD1-CD2 4.43Å; L55-L59 HydrophobicContact CD1-CG 4.34Å; L55-L59 HydrophobicContact CG-CD1 4.48Å; L55-L59 HydrophobicContact CG-CG 4.47Å; L55-L59 WeakPolarHBondContact O-CG 3.42Å; L55-L59 PolarHBondContact O-N 3.3Å; L55-M158 HydrophobicContact CD1-CE 3.79Å; L55-M158 HydrophobicContact CD1-SD 4.07Å; L55-M158 HydrophobicContact CD2-CE 4.01Å; L55-M158 HydrophobicContact CD2-SD 3.42Å; L55-M158 WeakPolarHBondContact CD2-SD 3.32Å; L55-M158 HydrophobicContact CG-CE 4.26Å; L55-M158 HydrophobicContact CG-SD 4.28Å; L55-F204 HydrophobicContact CD2-CE2 4.01Å; L55-F204 HydrophobicContact CD2-CZ 3.9Å; L55-K208 HydrophobicContact CD1-CG 4.45Å; L55-K208 HydrophobicContact CD2-CG 4.27Å; L55-M212 HydrophobicContact CD1-CG 4.04Å
56D97.3Very high95.9Very high61 Ų6160.2 Ų60.233%0.32634%0.34SS..Hα-helixtrans-62.2-37.3179.8-69.6-22.5000112.2D52 S53 K58 L59 E60 R162D52-D56 PolarHBondContact O-N 3.12Å; S53-D56 PolarHBondContact O-N 3.37Å; D56-K58 PolarHBondContact O-N 3.33Å; D56-L59 PolarHBondContact O-N 2.92Å; D56-E60 PolarHBondContact O-N 3.26Å; D56-R162 IonicContact OD1-CZ 2.73Å; D56-R162 IonicContact OD1-NH1 3.04Å; D56-R162 PolarHBondContact OD1-NH1 3.03Å; D56-R162 IonicContact OD1-NH2 3.98Å; D56-R162 PolarHBondContact OD1-NH2 2.84Å; D56-R162 IonicContact OD2-NH2 3.47Å
57A97.6Very high96.2Very high64 Ų6458.6 Ų58.653%0.52934%0.335SS..Hα-helixtrans-60.7-42.5172.700000112.4S53 L55 E60 L61S53-A57 PolarHBondContact O-N 3.32Å; L55-A57 VanDerWaalsContact C-N 3.3Å; L55-A57 PolarHBondContact O-N 2.93Å; A57-E60 PolarHBondContact O-N 3.17Å; A57-L61 PolarHBondContact O-N 3.48Å; A57-L61 VanDerWaalsContact O-N 3.08Å
58K97.4Very high96.5Very high54 Ų5454.8 Ų54.824%0.23532%0.317CS..Hα-helixtrans-66.3-38.5174.3-66.7-62.7-169.6-175.10112.2D54 L55 D56 E60 L61 L62 M212 V215 D216D54-K58 WeakPolarHBondContact O-CG 3.49Å; D54-K58 PolarHBondContact O-N 2.97Å; L55-K58 WeakPolarHBondContact O-CB 3.16Å; L55-K58 PolarHBondContact O-N 3.37Å; L55-K58 VanDerWaalsContact O-N 3.11Å; D56-K58 PolarHBondContact O-N 3.33Å; K58-E60 VanDerWaalsContact C-N 3.25Å; K58-E60 PolarHBondContact O-N 2.6Å; K58-L61 WeakPolarHBondContact O-CB 3.45Å; K58-L61 PolarHBondContact O-N 3.45Å; K58-L62 PolarHBondContact O-N 2.97Å; K58-M212 HydrophobicContact CG-CB 4.44Å; K58-M212 HydrophobicContact CG-CE 4.01Å; K58-M212 HydrophobicContact CG-CG 4.09Å; K58-V215 HydrophobicContact CB-CG1 4.37Å; K58-D216 WeakPolarHBondContact CD-OD1 3.48Å; K58-D216 VanDerWaalsContact CE-OD1 3.27Å; K58-D216 WeakPolarHBondContact CE-OD1 3.35Å; K58-D216 VanDerWaalsContact CE-OD2 3.29Å; K58-D216 WeakPolarHBondContact CE-OD2 3.47Å; K58-D216 IonicContact NZ-OD1 2.63Å; K58-D216 PolarHBondContact NZ-OD1 3.05Å; K58-D216 IonicContact NZ-OD2 2.6Å; K58-D216 PolarHBondContact NZ-OD2 3.14Å
59L98Very high96.8Very high24 Ų2453.2 Ų53.213%0.12631%0.309CS..Hα-helixtrans-63.8-34.6176-64.3-173.9000111.8L55 D56 L62 K63 V155 M158L55-L59 HydrophobicContact CD1-CD2 4.43Å; L55-L59 HydrophobicContact CD1-CG 4.34Å; L55-L59 HydrophobicContact CG-CD1 4.48Å; L55-L59 HydrophobicContact CG-CG 4.47Å; L55-L59 WeakPolarHBondContact O-CG 3.42Å; L55-L59 PolarHBondContact O-N 3.3Å; D56-L59 PolarHBondContact O-N 2.92Å; L59-L62 PolarHBondContact O-N 3.06Å; L59-K63 WeakPolarHBondContact O-CG 3.43Å; L59-K63 PolarHBondContact O-N 3.11Å; L59-K63 VanDerWaalsContact O-N 3.1Å; L59-V155 HydrophobicContact CD2-CB 4.3Å; L59-V155 HydrophobicContact CD2-CG1 3.48Å; L59-V155 VanDerWaalsContact CD2-CG1 3.48Å; L59-V155 HydrophobicContact CD2-CG2 3.79Å; L59-M158 HydrophobicContact CD1-CE 4.21Å; L59-M158 HydrophobicContact CD2-CE 3.95Å
60E97.9Very high97Very high107 Ų10755.8 Ų55.850%0.531%0.311SS..Hα-helixtrans-69.6-38.6174.7-157.559.3-161.100112.3D56 A57 K58 L62 K63 S64D56-E60 PolarHBondContact O-N 3.26Å; A57-E60 PolarHBondContact O-N 3.17Å; K58-E60 VanDerWaalsContact C-N 3.25Å; K58-E60 PolarHBondContact O-N 2.6Å; E60-L62 VanDerWaalsContact C-N 3.34Å; E60-L62 PolarHBondContact O-N 2.89Å; E60-K63 PolarHBondContact O-N 3.42Å; E60-K63 WeakPolarHBondContact OE2-CD 3.44Å; E60-K63 IonicContact OE2-NZ 2.69Å; E60-K63 PolarHBondContact OE2-NZ 3.45Å; E60-S64 PolarHBondContact O-N 2.87Å
61L97.7Very high97.3Very high65 Ų6555.9 Ų55.934%0.3430%0.304SS..Hα-helixtrans-58.1-45170.3176.961.1000111.8A57 K58 K63 S64 V65 V215 A219A57-L61 PolarHBondContact O-N 3.48Å; A57-L61 VanDerWaalsContact O-N 3.08Å; K58-L61 WeakPolarHBondContact O-CB 3.45Å; K58-L61 PolarHBondContact O-N 3.45Å; L61-K63 VanDerWaalsContact C-N 3.35Å; L61-K63 PolarHBondContact O-N 3.34Å; L61-S64 WeakPolarHBondContact O-CB 3.49Å; L61-S64 PolarHBondContact O-N 2.81Å; L61-V65 HydrophobicContact CD1-CG2 4.4Å; L61-V65 WeakPolarHBondContact O-CG2 3.15Å; L61-V65 PolarHBondContact O-N 3.21Å; L61-V215 HydrophobicContact CB-CG1 4.49Å; L61-V215 HydrophobicContact CD2-CG1 4.16Å; L61-V215 HydrophobicContact CG-CG1 4.34Å; L61-A219 HydrophobicContact CD2-CB 4.31Å
62L98.4Very high97.5Very high6 Ų654.5 Ų54.53%0.03129%0.289CS..Hα-helixtrans-59.3-44.7176.4175.461.8000111.9K58 L59 E60 S64 V65 Q66 T151 V155 V215 L218K58-L62 PolarHBondContact O-N 2.97Å; L59-L62 PolarHBondContact O-N 3.06Å; E60-L62 VanDerWaalsContact C-N 3.34Å; E60-L62 PolarHBondContact O-N 2.89Å; L62-S64 VanDerWaalsContact C-N 3.33Å; L62-S64 PolarHBondContact O-N 3.27Å; L62-V65 PolarHBondContact O-N 2.88Å; L62-Q66 HydrophobicContact CD1-CG 4.4Å; L62-Q66 WeakPolarHBondContact O-CG 3.22Å; L62-Q66 PolarHBondContact O-N 2.99Å; L62-T151 HydrophobicContact CD1-CG2 4.02Å; L62-T151 HydrophobicContact CD2-CG2 4.27Å; L62-V155 HydrophobicContact CD2-CB 4.29Å; L62-V155 HydrophobicContact CD2-CG2 3.74Å; L62-V215 HydrophobicContact CB-CG1 4.29Å; L62-V215 HydrophobicContact CB-CG2 4.13Å; L62-V215 HydrophobicContact CD2-CG2 4.31Å; L62-L218 HydrophobicContact CD1-CD2 3.44Å; L62-L218 VanDerWaalsContact CD1-CD2 3.44Å
63K98.1Very high97.7Very high99 Ų9954.7 Ų54.743%0.4329%0.29SS..Hα-helixtrans-62-41.8176.4-69.2179-155.1153.90111.8L59 E60 L61 V65 Q66 L67L59-K63 WeakPolarHBondContact O-CG 3.43Å; L59-K63 PolarHBondContact O-N 3.11Å; L59-K63 VanDerWaalsContact O-N 3.1Å; E60-K63 PolarHBondContact O-N 3.42Å; E60-K63 WeakPolarHBondContact OE2-CD 3.44Å; E60-K63 IonicContact OE2-NZ 2.69Å; E60-K63 PolarHBondContact OE2-NZ 3.45Å; L61-K63 VanDerWaalsContact C-N 3.35Å; L61-K63 PolarHBondContact O-N 3.34Å; K63-V65 PolarHBondContact O-N 3.38Å; K63-Q66 WeakPolarHBondContact O-CB 3.49Å; K63-Q66 PolarHBondContact O-N 2.77Å; K63-L67 WeakPolarHBondContact O-CB 3.36Å; K63-L67 VanDerWaalsContact O-CG 3.32Å; K63-L67 WeakPolarHBondContact O-CG 3.4Å; K63-L67 PolarHBondContact O-N 3.27Å
64S98.2Very high97.7Very high59 Ų5955.8 Ų55.841%0.41329%0.291SS..Hα-helixtrans-60.2-45.3175.5177.30000111.5E60 L61 L62 Q66 L67 T68E60-S64 PolarHBondContact O-N 2.87Å; L61-S64 WeakPolarHBondContact O-CB 3.49Å; L61-S64 PolarHBondContact O-N 2.81Å; L62-S64 VanDerWaalsContact C-N 3.33Å; L62-S64 PolarHBondContact O-N 3.27Å; S64-Q66 PolarHBondContact O-N 3.42Å; S64-L67 PolarHBondContact O-N 3.01Å; S64-T68 WeakPolarHBondContact O-CB 3.47Å; S64-T68 WeakPolarHBondContact O-CG2 3.4Å; S64-T68 PolarHBondContact O-N 2.92Å; S64-T68 PolarHBondContact O-OG1 3.12Å
65V98.1Very high97.8Very high4 Ų454 Ų542%0.02428%0.284CS..Hα-helixtrans-60.1-45.8174.4170.50000111.3L61 L62 K63 T68 C69 F143 I148 L218L61-V65 HydrophobicContact CD1-CG2 4.4Å; L61-V65 WeakPolarHBondContact O-CG2 3.15Å; L61-V65 PolarHBondContact O-N 3.21Å; L62-V65 PolarHBondContact O-N 2.88Å; K63-V65 PolarHBondContact O-N 3.38Å; V65-T68 PolarHBondContact O-OG1 3.23Å; V65-C69 VanDerWaalsContact O-CB 3.29Å; V65-C69 WeakPolarHBondContact O-CB 3.28Å; V65-C69 PolarHBondContact O-N 2.9Å; V65-C69 PolarHBondContact O-SG 2.92Å; V65-C69 VanDerWaalsContact O-SG 3.4Å; V65-F143 HydrophobicContact CG1-CE1 4.29Å; V65-I148 HydrophobicContact CG1-CD1 4.05Å; V65-I148 HydrophobicContact CG1-CG1 4.46Å; V65-L218 HydrophobicContact CG1-CD2 4.19Å; V65-L218 HydrophobicContact CG1-CG 4.5Å
66Q98.2Very high97.8Very high57 Ų5754.6 Ų54.627%0.26629%0.287SS..Hα-helixtrans-57-52.2176.6-78.4172.7-2700112.8L62 K63 S64 R70 I148 T152L62-Q66 HydrophobicContact CD1-CG 4.4Å; L62-Q66 WeakPolarHBondContact O-CG 3.22Å; L62-Q66 PolarHBondContact O-N 2.99Å; K63-Q66 WeakPolarHBondContact O-CB 3.49Å; K63-Q66 PolarHBondContact O-N 2.77Å; S64-Q66 PolarHBondContact O-N 3.42Å; Q66-R70 WeakPolarHBondContact O-CB 3.34Å; Q66-R70 PolarHBondContact O-N 3.01Å; Q66-R70 VanDerWaalsContact O-N 3.1Å; Q66-I148 HydrophobicContact CB-CG2 4.49Å; Q66-I148 HydrophobicContact CG-CG2 3.37Å; Q66-T152 PolarHBondContact NE2-OG1 3.3Å
67L98Very high97.8Very high91 Ų9152.9 Ų52.948%0.47628%0.281SS..Hα-helixtrans-63.8-52.5-177.3-70.8172.9000110.6K63 S64 C69 R70 D71K63-L67 WeakPolarHBondContact O-CB 3.36Å; K63-L67 VanDerWaalsContact O-CG 3.32Å; K63-L67 WeakPolarHBondContact O-CG 3.4Å; K63-L67 PolarHBondContact O-N 3.27Å; S64-L67 PolarHBondContact O-N 3.01Å; L67-C69 VanDerWaalsContact C-N 3.34Å; L67-C69 PolarHBondContact O-N 2.96Å; L67-R70 WeakPolarHBondContact O-CB 3.47Å; L67-R70 PolarHBondContact O-N 3.36Å; L67-R70 VanDerWaalsContact O-N 3.1Å; L67-D71 PolarHBondContact O-N 3.11Å
68T98.1Very high97.8Very high48 Ų4853 Ų5329%0.29427%0.268SS..Hα-helixtrans-65.8-33.2-176.8550000113.2S64 V65 L72 R222S64-T68 WeakPolarHBondContact O-CB 3.47Å; S64-T68 WeakPolarHBondContact O-CG2 3.4Å; S64-T68 PolarHBondContact O-N 2.92Å; S64-T68 PolarHBondContact O-OG1 3.12Å; V65-T68 PolarHBondContact O-OG1 3.23Å; T68-L72 VanDerWaalsContact O-CB 3.25Å; T68-L72 WeakPolarHBondContact O-CB 3.4Å; T68-L72 PolarHBondContact O-N 3.4Å; T68-R222 VanDerWaalsContact OG1-CZ 3.26Å; T68-R222 PolarHBondContact OG1-NH1 3.4Å; T68-R222 PolarHBondContact OG1-NH2 3.28Å; T68-R222 VanDerWaalsContact OG1-NH2 3.08Å
69C98Very high97.8Very high2 Ų254 Ų541%0.01427%0.271CS..Hα-helixtrans-69.6-37.3172.4-76.80000112.7V65 L67 D73 V140 I148V65-C69 VanDerWaalsContact O-CB 3.29Å; V65-C69 WeakPolarHBondContact O-CB 3.28Å; V65-C69 PolarHBondContact O-N 2.9Å; V65-C69 PolarHBondContact O-SG 2.92Å; V65-C69 VanDerWaalsContact O-SG 3.4Å; L67-C69 VanDerWaalsContact C-N 3.34Å; L67-C69 PolarHBondContact O-N 2.96Å; C69-D73 WeakPolarHBondContact O-CB 3.45Å; C69-D73 PolarHBondContact O-N 3.35Å; C69-V140 WeakPolarHBondContact O-CG1 3.4Å; C69-I148 HydrophobicContact CB-CD1 3.92Å
70R97.8Very high97.8Very high117 Ų11754.5 Ų54.544%0.44227%0.273SS..Hα-helixtrans-65.9-43174178.8-167.666.2104.87.3111.1Q66 L67 L72 D73 N74Q66-R70 WeakPolarHBondContact O-CB 3.34Å; Q66-R70 PolarHBondContact O-N 3.01Å; Q66-R70 VanDerWaalsContact O-N 3.1Å; L67-R70 WeakPolarHBondContact O-CB 3.47Å; L67-R70 PolarHBondContact O-N 3.36Å; L67-R70 VanDerWaalsContact O-N 3.1Å; R70-L72 VanDerWaalsContact C-N 3.34Å; R70-D73 WeakPolarHBondContact O-CB 3.41Å; R70-D73 PolarHBondContact O-N 3.04Å; R70-N74 PolarHBondContact O-N 2.68Å; R70-N74 PolarHBondContact O-ND2 2.94Å
71D98Very high97.8Very high65 Ų6555.3 Ų55.335%0.34827%0.271SS..Hα-helixtrans-65.9-42179-61.4-19.3000110.2L67 D73 N74 V75L67-D71 PolarHBondContact O-N 3.11Å; D71-D73 PolarHBondContact O-N 3.07Å; D71-N74 PolarHBondContact O-N 3.25Å; D71-V75 WeakPolarHBondContact O-CB 3.44Å; D71-V75 VanDerWaalsContact O-CG2 3.28Å; D71-V75 WeakPolarHBondContact O-CG2 3.42Å; D71-V75 PolarHBondContact O-N 3.42Å
72L97.9Very high97.8Very high52 Ų5255.4 Ų55.427%0.27227%0.274SS..Hα-helixtrans-60.1-44173.5-178.760.4000112.4T68 R70 N74 V75 L76 V140 L226T68-L72 VanDerWaalsContact O-CB 3.25Å; T68-L72 WeakPolarHBondContact O-CB 3.4Å; T68-L72 PolarHBondContact O-N 3.4Å; R70-L72 VanDerWaalsContact C-N 3.34Å; L72-N74 VanDerWaalsContact C-N 3.34Å; L72-N74 PolarHBondContact O-N 3.25Å; L72-V75 PolarHBondContact O-N 2.84Å; L72-L76 HydrophobicContact CD1-CD1 4.07Å; L72-L76 HydrophobicContact CD1-CG 4.05Å; L72-L76 HydrophobicContact CG-CD1 3.89Å; L72-L76 HydrophobicContact CG-CG 4.35Å; L72-L76 WeakPolarHBondContact O-CB 3.47Å; L72-L76 WeakPolarHBondContact O-CD1 3.26Å; L72-L76 WeakPolarHBondContact O-CG 3.23Å; L72-L76 PolarHBondContact O-N 3.46Å; L72-V140 HydrophobicContact CD2-CG1 4.46Å; L72-V140 HydrophobicContact CD2-CG2 3.8Å; L72-V140 HydrophobicContact CG-CG1 4.49Å; L72-V140 HydrophobicContact CG-CG2 4.29Å; L72-L226 HydrophobicContact CD2-CD2 3.99Å
73D97.5Very high97.8Very high8 Ų855.6 Ų55.64%0.04328%0.276CS..Hα-helixtrans-56.2-48.2175-172.613.8000111.2C69 R70 D71 L76 A77 N137 V140 K141 R144C69-D73 WeakPolarHBondContact O-CB 3.45Å; C69-D73 PolarHBondContact O-N 3.35Å; R70-D73 WeakPolarHBondContact O-CB 3.41Å; R70-D73 PolarHBondContact O-N 3.04Å; D71-D73 PolarHBondContact O-N 3.07Å; D73-L76 PolarHBondContact O-N 3.25Å; D73-A77 PolarHBondContact O-N 3.42Å; D73-N137 PolarHBondContact O-ND2 3.01Å; D73-N137 PolarHBondContact OD1-ND2 3.48Å; D73-V140 HydrophobicContact CB-CG1 4.04Å; D73-K141 VanDerWaalsContact OD1-CE 3.22Å; D73-K141 WeakPolarHBondContact OD1-CE 3.33Å; D73-K141 WeakPolarHBondContact OD1-CG 3.32Å; D73-K141 WeakPolarHBondContact OD2-CG 3.42Å; D73-R144 IonicContact OD2-CZ 3.02Å; D73-R144 IonicContact OD2-NE 3.06Å; D73-R144 PolarHBondContact OD2-NE 3.44Å; D73-R144 IonicContact OD2-NH2 3.66Å; D73-R144 PolarHBondContact OD2-NH2 3.47Å
74N97Very high97.8Very high87 Ų8751.4 Ų51.447%0.46526%0.258SS..Hα-helixtrans-64.7-44178.4-68.6-22.9000112.6R70 D71 L72 A77 R78R70-N74 PolarHBondContact O-N 2.68Å; R70-N74 PolarHBondContact O-ND2 2.94Å; D71-N74 PolarHBondContact O-N 3.25Å; L72-N74 VanDerWaalsContact C-N 3.34Å; L72-N74 PolarHBondContact O-N 3.25Å; N74-A77 PolarHBondContact O-N 3.17Å; N74-R78 WeakPolarHBondContact O-CB 3.37Å; N74-R78 PolarHBondContact O-N 3.42Å
75V97.8Very high97.8Very high63 Ų6354.4 Ų54.438%0.38226%0.262SS..Hα-helixtrans-64.2-42.1178.6168.10000110.6D71 L72 R78 Y79 F388D71-V75 WeakPolarHBondContact O-CB 3.44Å; D71-V75 VanDerWaalsContact O-CG2 3.28Å; D71-V75 WeakPolarHBondContact O-CG2 3.42Å; D71-V75 PolarHBondContact O-N 3.42Å; L72-V75 PolarHBondContact O-N 2.84Å; V75-R78 PolarHBondContact O-N 2.93Å; V75-Y79 WeakPolarHBondContact O-CB 3.33Å; V75-Y79 PolarHBondContact O-N 2.9Å; V75-F388 HydrophobicContact CG1-CE1 4.32Å
76L97.8Very high97.8Very high14 Ų1458.6 Ų58.67%0.07328%0.283CS..Hα-helixtrans-61.8-45.6176.3-74.6166.5000111.5L72 D73 R78 Y79 Q80 L133 V136 N137 V140L72-L76 HydrophobicContact CD1-CD1 4.07Å; L72-L76 HydrophobicContact CD1-CG 4.05Å; L72-L76 HydrophobicContact CG-CD1 3.89Å; L72-L76 HydrophobicContact CG-CG 4.35Å; L72-L76 WeakPolarHBondContact O-CB 3.47Å; L72-L76 WeakPolarHBondContact O-CD1 3.26Å; L72-L76 WeakPolarHBondContact O-CG 3.23Å; L72-L76 PolarHBondContact O-N 3.46Å; D73-L76 PolarHBondContact O-N 3.25Å; L76-R78 PolarHBondContact O-N 3.22Å; L76-Y79 PolarHBondContact O-N 3.21Å; L76-Q80 WeakPolarHBondContact O-CG 3.25Å; L76-Q80 PolarHBondContact O-N 3.32Å; L76-L133 HydrophobicContact CD2-CD2 4.03Å; L76-V136 HydrophobicContact CD1-CG1 3.71Å; L76-V136 HydrophobicContact CD2-CG1 4.04Å; L76-N137 HydrophobicContact CB-CB 4.25Å; L76-N137 WeakPolarHBondContact CB-ND2 3.38Å; L76-N137 HydrophobicContact CD1-CB 4.3Å; L76-V140 HydrophobicContact CD1-CG2 4.16Å
77A96.1Very high97.8Very high25 Ų2556 Ų5621%0.20727%0.271CS..Hα-helixtrans-63.8-41177.500000112.2D73 N74 R81D73-A77 PolarHBondContact O-N 3.42Å; N74-A77 PolarHBondContact O-N 3.17Å; A77-R81 PolarHBondContact O-N 3.44Å
78R97.4Very high97.8Very high67 Ų6754.7 Ų54.725%0.25326%0.263SS..Hα-helixtrans-63.2-46.7174.1-175.9-179.7-176.9125.916.5111.3N74 V75 L76 Q80 R81 T82 L387 F388 S390N74-R78 WeakPolarHBondContact O-CB 3.37Å; N74-R78 PolarHBondContact O-N 3.42Å; V75-R78 PolarHBondContact O-N 2.93Å; L76-R78 PolarHBondContact O-N 3.22Å; R78-Q80 VanDerWaalsContact C-N 3.35Å; R78-Q80 PolarHBondContact O-N 2.85Å; R78-R81 PolarHBondContact O-N 2.89Å; R78-T82 PolarHBondContact O-N 3.12Å; R78-T82 PolarHBondContact O-OG1 2.95Å; R78-L387 PolarHBondContact NE-O 3.43Å; R78-L387 PolarHBondContact NH2-O 3.04Å; R78-F388 VanDerWaalsContact NH1-C 3.32Å; R78-F388 PolarHBondContact NH1-O 2.93Å; R78-S390 PolarHBondContact NH1-O 3.17Å; R78-S390 PolarHBondContact NH2-O 3.39Å
79Y98.3Very high97.8Very high73 Ų7355.1 Ų55.129%0.28627%0.271SS..Hα-helixtrans-60.4-43.8-178.5-179.7-134.4000111.9V75 L76 R81 T82 L83 L133 Y233V75-Y79 WeakPolarHBondContact O-CB 3.33Å; V75-Y79 PolarHBondContact O-N 2.9Å; L76-Y79 PolarHBondContact O-N 3.21Å; Y79-R81 PolarHBondContact O-N 3.01Å; Y79-T82 PolarHBondContact O-N 3.16Å; Y79-L83 HydrophobicContact CD1-CD1 4.07Å; Y79-L83 HydrophobicContact CD2-CD1 4.23Å; Y79-L83 HydrophobicContact CD2-CG 4.04Å; Y79-L83 HydrophobicContact CE1-CD1 3.7Å; Y79-L83 HydrophobicContact CE1-CG 4.43Å; Y79-L83 HydrophobicContact CE2-CD1 3.85Å; Y79-L83 HydrophobicContact CE2-CD2 3.85Å; Y79-L83 HydrophobicContact CE2-CG 3.66Å; Y79-L83 HydrophobicContact CG-CD1 4.32Å; Y79-L83 WeakPolarHBondContact O-CB 3.36Å; Y79-L83 WeakPolarHBondContact O-CG 3.36Å; Y79-L83 PolarHBondContact O-N 3.43Å; Y79-L133 HydrophobicContact CD1-CD1 3.73Å; Y79-L133 HydrophobicContact CD1-CD2 3.85Å; Y79-L133 HydrophobicContact CD1-CG 4.48Å; Y79-L133 HydrophobicContact CE1-CD1 3.58Å; Y79-L133 HydrophobicContact CE1-CD2 3.9Å; Y79-L133 HydrophobicContact CE1-CG 4.38Å; Y79-Y233 HydrophobicContact CE1-CE2 4.08Å; Y79-Y233 WeakPolarHBondContact CE1-OH 3.37Å; Y79-Y233 PolarHBondContact OH-OH 2.82Å; Y79-Y233 VanDerWaalsContact OH-OH 3.12Å
80Q98Very high97.8Very high35 Ų3556.4 Ų56.416%0.16428%0.277CS..Hα-helixtrans-59.4-45.4175.1-71176.134.800112.2L76 R78 L83 C84 L130 L133L76-Q80 WeakPolarHBondContact O-CG 3.25Å; L76-Q80 PolarHBondContact O-N 3.32Å; R78-Q80 VanDerWaalsContact C-N 3.35Å; R78-Q80 PolarHBondContact O-N 2.85Å; Q80-L83 PolarHBondContact O-N 3.47Å; Q80-C84 PolarHBondContact O-N 3.43Å; Q80-C84 PolarHBondContact O-SG 3.16Å; Q80-L130 HydrophobicContact CB-CD2 4.1Å; Q80-L130 HydrophobicContact CG-CD2 4.25Å; Q80-L133 HydrophobicContact CG-CB 3.86Å; Q80-L133 HydrophobicContact CG-CD1 4.17Å; Q80-L133 PolarHBondContact NE2-O 3.26Å
81R97.6Very high97.8Very high125 Ų12552.7 Ų52.747%0.47227%0.266SS..Hα-helixtrans-61.4-46.5175.7-70.5-174.8-123.4103.40.9112.1A77 R78 Y79 L83 C84 Y85A77-R81 PolarHBondContact O-N 3.44Å; R78-R81 PolarHBondContact O-N 2.89Å; Y79-R81 PolarHBondContact O-N 3.01Å; R81-L83 VanDerWaalsContact C-N 3.31Å; R81-L83 PolarHBondContact O-N 2.75Å; R81-C84 WeakPolarHBondContact O-CB 3.3Å; R81-C84 PolarHBondContact O-N 3.03Å; R81-Y85 HydrophobicContact CB-CE2 4.37Å; R81-Y85 WeakPolarHBondContact O-CD2 3.4Å; R81-Y85 PolarHBondContact O-N 3.33Å
82T98.2Very high97.8Very high66 Ų6655.7 Ų55.741%0.40528%0.278SS..Hα-helixtrans-61.5-39.7178.1-58.40000111.8R78 Y79 Y85 L86R78-T82 PolarHBondContact O-N 3.12Å; R78-T82 PolarHBondContact O-OG1 2.95Å; Y79-T82 PolarHBondContact O-N 3.16Å; T82-Y85 PolarHBondContact O-N 2.86Å; T82-L86 WeakPolarHBondContact O-CB 3.4Å; T82-L86 PolarHBondContact O-N 3.17Å
83L97.8Very high97.8Very high11 Ų1157.9 Ų57.96%0.05829%0.288CS..Hα-helixtrans-60.1-45.6174.3-78171.2000111.7Y79 Q80 R81 L86 S87 R126 L129 L133Y79-L83 HydrophobicContact CD1-CD1 4.07Å; Y79-L83 HydrophobicContact CD2-CD1 4.23Å; Y79-L83 HydrophobicContact CD2-CG 4.04Å; Y79-L83 HydrophobicContact CE1-CD1 3.7Å; Y79-L83 HydrophobicContact CE1-CG 4.43Å; Y79-L83 HydrophobicContact CE2-CD1 3.85Å; Y79-L83 HydrophobicContact CE2-CD2 3.85Å; Y79-L83 HydrophobicContact CE2-CG 3.66Å; Y79-L83 HydrophobicContact CG-CD1 4.32Å; Y79-L83 WeakPolarHBondContact O-CB 3.36Å; Y79-L83 WeakPolarHBondContact O-CG 3.36Å; Y79-L83 PolarHBondContact O-N 3.43Å; Q80-L83 PolarHBondContact O-N 3.47Å; R81-L83 VanDerWaalsContact C-N 3.31Å; R81-L83 PolarHBondContact O-N 2.75Å; L83-L86 PolarHBondContact O-N 3.09Å; L83-S87 WeakPolarHBondContact O-CB 3.49Å; L83-S87 PolarHBondContact O-N 2.89Å; L83-S87 PolarHBondContact O-OG 3.3Å; L83-R126 HydrophobicContact CD2-CG 3.8Å; L83-L129 HydrophobicContact CD1-CB 4.33Å; L83-L129 HydrophobicContact CD2-CD1 4.31Å; L83-L133 HydrophobicContact CD1-CD1 3.3Å
84C98.2Very high97.8Very high10 Ų1057.5 Ų57.57%0.06829%0.286CS..Hα-helixtrans-59.3-50.7177.3-660000111.8Q80 R81 L86 S87 Q88Q80-C84 PolarHBondContact O-N 3.43Å; Q80-C84 PolarHBondContact O-SG 3.16Å; R81-C84 WeakPolarHBondContact O-CB 3.3Å; R81-C84 PolarHBondContact O-N 3.03Å; C84-L86 PolarHBondContact O-N 3.43Å; C84-S87 PolarHBondContact O-N 3.46Å; C84-Q88 WeakPolarHBondContact O-CG 3.43Å; C84-Q88 PolarHBondContact O-N 2.88Å
85Y98.2Very high97.8Very high123 Ų12361.2 Ų61.248%0.48229%0.293SS..Hα-helixtrans-62-43-180-69.3-49.7000112.5R81 T82 Q88 A89 F347R81-Y85 HydrophobicContact CB-CE2 4.37Å; R81-Y85 WeakPolarHBondContact O-CD2 3.4Å; R81-Y85 PolarHBondContact O-N 3.33Å; T82-Y85 PolarHBondContact O-N 2.86Å; Y85-Q88 PolarHBondContact O-N 3.41Å; Y85-A89 WeakPolarHBondContact O-CB 3.37Å; Y85-A89 PolarHBondContact O-N 2.86Å; Y85-F347 HydrophobicContact CE1-CE1 4.44Å
86L97.9Very high97.8Very high91 Ų9163.5 Ų63.548%0.47630%0.298SS..Hα-helixtrans-63.6-42.9177.5-177.462.8000111.5T82 L83 C84 E90T82-L86 WeakPolarHBondContact O-CB 3.4Å; T82-L86 PolarHBondContact O-N 3.17Å; L83-L86 PolarHBondContact O-N 3.09Å; C84-L86 PolarHBondContact O-N 3.43Å; L86-E90 WeakPolarHBondContact O-CB 3.32Å; L86-E90 PolarHBondContact O-N 3.45Å
87S98.4Very high97.8Very high2 Ų264.4 Ų64.41%0.01430%0.303CS..Hα-helixtrans-62.3-40.7174.1-79.50000112.6L83 C84 N91 A123 R126L83-S87 WeakPolarHBondContact O-CB 3.49Å; L83-S87 PolarHBondContact O-N 2.89Å; L83-S87 PolarHBondContact O-OG 3.3Å; C84-S87 PolarHBondContact O-N 3.46Å; S87-N91 WeakPolarHBondContact O-CB 3.44Å; S87-N91 PolarHBondContact O-N 3.5Å; S87-A123 VanDerWaalsContact O-CB 3.27Å; S87-A123 WeakPolarHBondContact O-CB 3.25Å; S87-A123 PolarHBondContact OG-O 2.89Å; S87-R126 WeakPolarHBondContact OG-CB 3.32Å; S87-R126 WeakPolarHBondContact OG-CD 3.22Å
88Q97.6Very high97.7Very high65 Ų6568.4 Ų68.430%0.30432%0.316SS..Hα-helixtrans-62.6-52176.7-73.8169.4-1.300111.3C84 Y85 E90 N91 E92C84-Q88 WeakPolarHBondContact O-CG 3.43Å; C84-Q88 PolarHBondContact O-N 2.88Å; Y85-Q88 PolarHBondContact O-N 3.41Å; Q88-E90 VanDerWaalsContact C-N 3.35Å; Q88-E90 PolarHBondContact O-N 3.43Å; Q88-N91 PolarHBondContact O-N 3.22Å; Q88-E92 WeakPolarHBondContact O-CG 3.49Å; Q88-E92 PolarHBondContact O-N 2.92Å
89A98Very high97.7Very high56 Ų5670.4 Ų70.446%0.46333%0.328SS..Hα-helixtrans-60.8-41.5-179.700000112.6Y85 E92 M93Y85-A89 WeakPolarHBondContact O-CB 3.37Å; Y85-A89 PolarHBondContact O-N 2.86Å; A89-E92 PolarHBondContact O-N 3.26Å; A89-M93 PolarHBondContact O-N 3.43Å
90E98.1Very high97.5Very high30 Ų3071 Ų7114%0.1433%0.332CS..Hα-helixtrans-67.9-38.4176.2-177.8175.5168.300112.5L86 Q88 M93 G94 L119 S122 A123 R126L86-E90 WeakPolarHBondContact O-CB 3.32Å; L86-E90 PolarHBondContact O-N 3.45Å; Q88-E90 VanDerWaalsContact C-N 3.35Å; Q88-E90 PolarHBondContact O-N 3.43Å; E90-M93 WeakPolarHBondContact O-CB 3.37Å; E90-M93 PolarHBondContact O-N 3.35Å; E90-G94 PolarHBondContact O-N 3.11Å; E90-L119 HydrophobicContact CG-CB 4.08Å; E90-L119 HydrophobicContact CG-CD2 4.14Å; E90-S122 WeakPolarHBondContact OE1-CB 3.22Å; E90-S122 PolarHBondContact OE1-OG 3.04Å; E90-A123 HydrophobicContact CB-CB 4.17Å; E90-A123 HydrophobicContact CG-CB 4.22Å; E90-R126 IonicContact OE1-NH2 3.52Å; E90-R126 IonicContact OE2-CZ 2.81Å; E90-R126 IonicContact OE2-NH1 2.96Å; E90-R126 PolarHBondContact OE2-NH1 3.44Å; E90-R126 IonicContact OE2-NH2 3.58Å; E90-R126 PolarHBondContact OE2-NH2 3.01Å
91N97.5Very high97.4Very high38 Ų3870 Ų7020%0.20333%0.329CS..Hα-helixtrans-66.9-38.6176.3-171.830.6000111.9S87 Q88 G94 R95 S120 A123S87-N91 WeakPolarHBondContact O-CB 3.44Å; S87-N91 PolarHBondContact O-N 3.5Å; Q88-N91 PolarHBondContact O-N 3.22Å; N91-G94 PolarHBondContact O-N 3.39Å; N91-R95 WeakPolarHBondContact O-CG 3.39Å; N91-R95 PolarHBondContact O-N 3.08Å; N91-S120 WeakPolarHBondContact OD1-CB 3.32Å; N91-S120 PolarHBondContact OD1-OG 3.12Å; N91-A123 HydrophobicContact CB-CB 3.81Å
92E97.7Very high97.3Very high129 Ų12970 Ų7060%0.60334%0.337SS*.Hα-helixtrans-61.3-44.4172.8-74.7175-178.300111.5Q88 A89 G94 R95 F96Q88-E92 WeakPolarHBondContact O-CG 3.49Å; Q88-E92 PolarHBondContact O-N 2.92Å; A89-E92 PolarHBondContact O-N 3.26Å; E92-G94 VanDerWaalsContact C-N 3.31Å; E92-G94 PolarHBondContact O-N 3.02Å; E92-R95 PolarHBondContact O-N 3.11Å; E92-F96 WeakPolarHBondContact O-CB 3.49Å; E92-F96 PolarHBondContact O-N 3.3Å
93M98.2Very high97.1Very high98 Ų9873.2 Ų73.248%0.48335%0.348SS..Hα-helixtrans-59.3-42.7172.1-178.860.871.700111.5A89 E90 R95 F96 L97 L119A89-M93 PolarHBondContact O-N 3.43Å; E90-M93 WeakPolarHBondContact O-CB 3.37Å; E90-M93 PolarHBondContact O-N 3.35Å; M93-R95 PolarHBondContact O-N 2.93Å; M93-F96 PolarHBondContact O-N 2.85Å; M93-F96 HydrophobicContact SD-CD1 4.28Å; M93-L97 HydrophobicContact CG-CD1 4.49Å; M93-L97 WeakPolarHBondContact O-CG 3.31Å; M93-L97 PolarHBondContact O-N 2.85Å; M93-L97 HydrophobicContact SD-CG 4.33Å; M93-L119 HydrophobicContact CB-CD1 4.47Å; M93-L119 HydrophobicContact CG-CD1 3.79Å
94G97.9Very high96.7Very high0 Ų074.8 Ų74.80%036%0.357CS..Hα-helixtrans-58.9-45.4175.600000112.9E90 N91 E92 K98 G116E90-G94 PolarHBondContact O-N 3.11Å; N91-G94 PolarHBondContact O-N 3.39Å; E92-G94 VanDerWaalsContact C-N 3.31Å; E92-G94 PolarHBondContact O-N 3.02Å; G94-K98 WeakPolarHBondContact O-CB 3.41Å; G94-K98 PolarHBondContact O-N 3.12Å; G94-K98 VanDerWaalsContact O-N 3.12Å; G94-G116 WeakPolarHBondContact CA-O 3.34Å; G94-G116 WeakPolarHBondContact O-CA 3.35Å
95R96.7Very high96.2Very high164 Ų16483.6 Ų83.662%0.61939%0.394SS*.Hα-helixtrans-64.7-42.8175.6-71.3174.2177.7-174-1.9112.2N91 E92 M93 K98 Q99N91-R95 WeakPolarHBondContact O-CG 3.39Å; N91-R95 PolarHBondContact O-N 3.08Å; E92-R95 PolarHBondContact O-N 3.11Å; M93-R95 PolarHBondContact O-N 2.93Å; R95-K98 PolarHBondContact O-N 3.01Å; R95-Q99 PolarHBondContact O-N 2.94Å
96F98.1Very high95.8Very high111 Ų11181 Ų8149%0.48739%0.391SS..Hα-helixtrans-57.8-51.6177.3173.2-90.6000111.3E92 M93 K98 Q99 F100E92-F96 WeakPolarHBondContact O-CB 3.49Å; E92-F96 PolarHBondContact O-N 3.3Å; M93-F96 PolarHBondContact O-N 2.85Å; M93-F96 HydrophobicContact SD-CD1 4.28Å; F96-K98 VanDerWaalsContact C-N 3.3Å; F96-K98 PolarHBondContact O-N 3.02Å; F96-Q99 WeakPolarHBondContact O-CB 3.49Å; F96-Q99 PolarHBondContact O-N 3.46Å; F96-Q99 VanDerWaalsContact O-N 3.11Å; F96-F100 HydrophobicContact CD1-CD2 4.22Å; F96-F100 HydrophobicContact CD2-CD2 4.02Å; F96-F100 AromaticContact CD2-CE2 3.7Å; F96-F100 HydrophobicContact CD2-CE2 3.7Å; F96-F100 AromaticContact CE1-CD2 3.87Å; F96-F100 HydrophobicContact CE1-CD2 3.87Å; F96-F100 HydrophobicContact CE1-CE2 4.14Å; F96-F100 AromaticContact CE2-CD2 3.7Å; F96-F100 HydrophobicContact CE2-CD2 3.7Å; F96-F100 AromaticContact CE2-CE2 3.15Å; F96-F100 HydrophobicContact CE2-CE2 3.15Å; F96-F100 HydrophobicContact CE2-CZ 4.1Å; F96-F100 HydrophobicContact CG-CD2 4.27Å; F96-F100 HydrophobicContact CG-CE2 4.41Å; F96-F100 AromaticContact CZ-CD2 3.59Å; F96-F100 HydrophobicContact CZ-CD2 3.59Å; F96-F100 AromaticContact CZ-CE2 3.38Å; F96-F100 HydrophobicContact CZ-CE2 3.38Å; F96-F100 HydrophobicContact CZ-CZ 4.24Å; F96-F100 WeakPolarHBondContact O-CD2 3.32Å; F96-F100 PolarHBondContact O-N 3.32Å; F96-F100 VanDerWaalsContact O-N 3.14Å
97L97.6Very high95.3Very high33 Ų3379.2 Ų79.217%0.17338%0.38CS..Hα-helixtrans-62-39.3178.7-68177.7000112M93 Q99 F100 S101 M112 V115 L119M93-L97 HydrophobicContact CG-CD1 4.49Å; M93-L97 WeakPolarHBondContact O-CG 3.31Å; M93-L97 PolarHBondContact O-N 2.85Å; M93-L97 HydrophobicContact SD-CG 4.33Å; L97-Q99 VanDerWaalsContact C-N 3.32Å; L97-Q99 PolarHBondContact O-N 2.76Å; L97-F100 PolarHBondContact O-N 3.28Å; L97-S101 WeakPolarHBondContact O-CB 3.09Å; L97-S101 PolarHBondContact O-N 3.4Å; L97-M112 HydrophobicContact CB-CB 4.41Å; L97-M112 WeakPolarHBondContact CB-O 3.32Å; L97-M112 HydrophobicContact CD2-CG 4.42Å; L97-V115 HydrophobicContact CD1-CB 4.32Å; L97-V115 HydrophobicContact CD1-CG1 3.73Å; L97-L119 HydrophobicContact CD1-CD1 3.96Å
98K95.4Very high94.8Very high110 Ų11080.9 Ų80.948%0.47839%0.394SS..Hα-helixtrans-63.4-37.9175.5-171.2179.6176.3-175.40111.9G94 R95 F96 S101G94-K98 WeakPolarHBondContact O-CB 3.41Å; G94-K98 PolarHBondContact O-N 3.12Å; G94-K98 VanDerWaalsContact O-N 3.12Å; R95-K98 PolarHBondContact O-N 3.01Å; F96-K98 VanDerWaalsContact C-N 3.3Å; F96-K98 PolarHBondContact O-N 3.02Å; K98-S101 PolarHBondContact O-N 2.98Å; K98-S101 PolarHBondContact O-OG 3.18Å
99Q95.6Very high94.6Very high108 Ų10877.9 Ų77.951%0.50538%0.381SS..Hα-helixtrans-64.2-50.3177.4-177.260.725.400111.7R95 F96 L97 S101 L102R95-Q99 PolarHBondContact O-N 2.94Å; F96-Q99 WeakPolarHBondContact O-CB 3.49Å; F96-Q99 PolarHBondContact O-N 3.46Å; F96-Q99 VanDerWaalsContact O-N 3.11Å; L97-Q99 VanDerWaalsContact C-N 3.32Å; L97-Q99 PolarHBondContact O-N 2.76Å; Q99-S101 PolarHBondContact O-N 2.97Å; Q99-L102 WeakPolarHBondContact O-CB 3.4Å; Q99-L102 PolarHBondContact O-N 3.46Å; Q99-L102 VanDerWaalsContact O-N 3.15Å
100F95.8Very high94.3Very high86 Ų8680.2 Ų80.238%0.37738%0.38SS..Hα-helixtrans-68.1-23.9178.7-78.8-79.9000113.2F96 L97 L102 E103 D104 M112F96-F100 HydrophobicContact CD1-CD2 4.22Å; F96-F100 HydrophobicContact CD2-CD2 4.02Å; F96-F100 AromaticContact CD2-CE2 3.7Å; F96-F100 HydrophobicContact CD2-CE2 3.7Å; F96-F100 AromaticContact CE1-CD2 3.87Å; F96-F100 HydrophobicContact CE1-CD2 3.87Å; F96-F100 HydrophobicContact CE1-CE2 4.14Å; F96-F100 AromaticContact CE2-CD2 3.7Å; F96-F100 HydrophobicContact CE2-CD2 3.7Å; F96-F100 AromaticContact CE2-CE2 3.15Å; F96-F100 HydrophobicContact CE2-CE2 3.15Å; F96-F100 HydrophobicContact CE2-CZ 4.1Å; F96-F100 HydrophobicContact CG-CD2 4.27Å; F96-F100 HydrophobicContact CG-CE2 4.41Å; F96-F100 AromaticContact CZ-CD2 3.59Å; F96-F100 HydrophobicContact CZ-CD2 3.59Å; F96-F100 AromaticContact CZ-CE2 3.38Å; F96-F100 HydrophobicContact CZ-CE2 3.38Å; F96-F100 HydrophobicContact CZ-CZ 4.24Å; F96-F100 WeakPolarHBondContact O-CD2 3.32Å; F96-F100 PolarHBondContact O-N 3.32Å; F96-F100 VanDerWaalsContact O-N 3.14Å; L97-F100 PolarHBondContact O-N 3.28Å; F100-L102 PolarHBondContact O-N 3.17Å; F100-E103 PolarHBondContact O-N 3.39Å; F100-E103 VanDerWaalsContact O-N 3.13Å; F100-D104 PolarHBondContact O-N 3.03Å; F100-D104 VanDerWaalsContact O-N 3.14Å; F100-M112 HydrophobicContact CB-SD 4.22Å
101S95.8Very high94Very high15 Ų1581.6 Ų81.611%0.10539%0.388CS..Hα-helixtrans-62.4-22.4172.777.50000114.2L97 K98 Q99 G109 S113L97-S101 WeakPolarHBondContact O-CB 3.09Å; L97-S101 PolarHBondContact O-N 3.4Å; K98-S101 PolarHBondContact O-N 2.98Å; K98-S101 PolarHBondContact O-OG 3.18Å; Q99-S101 PolarHBondContact O-N 2.97Å; S101-G109 WeakPolarHBondContact CB-O 3.25Å; S101-S113 WeakPolarHBondContact OG-CB 3.27Å; S101-S113 PolarHBondContact OG-OG 2.89Å
102L94.1Very high94Very high123 Ų12382.8 Ų82.864%0.64439%0.393SS*.Hα-helixtrans-78.4-26.4177.4-59.3175.6000112.1Q99 F100Q99-L102 WeakPolarHBondContact O-CB 3.4Å; Q99-L102 PolarHBondContact O-N 3.46Å; Q99-L102 VanDerWaalsContact O-N 3.15Å; F100-L102 PolarHBondContact O-N 3.17Å
103E93.7Very high93.9Very high134 Ų13478.1 Ų78.163%0.62638%0.375SS*.Hα-helixtrans-83.9-35.7178.9-61.5-179.7-172.600111.2F100F100-E103 PolarHBondContact O-N 3.39Å; F100-E103 VanDerWaalsContact O-N 3.13Å
104D90.6Very high93.7Very high45 Ų4573.6 Ų73.624%0.24135%0.353CS..  trans-92.3103.5179.4-170.7-9.5000111.9F100 T106 A108 G109F100-D104 PolarHBondContact O-N 3.03Å; F100-D104 VanDerWaalsContact O-N 3.14Å; D104-T106 VanDerWaalsContact CG-OG1 3.31Å; D104-T106 PolarHBondContact O-N 3.35Å; D104-T106 WeakPolarHBondContact OD1-CB 3.29Å; D104-T106 VanDerWaalsContact OD1-CG2 3.28Å; D104-T106 WeakPolarHBondContact OD1-CG2 3.38Å; D104-T106 PolarHBondContact OD1-N 2.95Å; D104-T106 PolarHBondContact OD1-OG1 3.06Å; D104-T106 PolarHBondContact OD2-OG1 3.14Å; D104-A108 WeakPolarHBondContact OD2-CB 3.25Å; D104-G109 WeakPolarHBondContact O-CA 3.48Å; D104-G109 PolarHBondContact OD2-N 3.35Å
105K88.1Confident93.6Very high195 Ų19575.9 Ų75.985%0.84837%0.366SS*.  trans-80.6-0.8177.8-62.2-178.4-178.8178.50113.8
106T88.2Confident93.6Very high69 Ų6968 Ų6842%0.42334%0.337SS..SBendtrans-80.3-180179.276.10000111.3D104 A108 G109 K110D104-T106 VanDerWaalsContact CG-OG1 3.31Å; D104-T106 PolarHBondContact O-N 3.35Å; D104-T106 WeakPolarHBondContact OD1-CB 3.29Å; D104-T106 VanDerWaalsContact OD1-CG2 3.28Å; D104-T106 WeakPolarHBondContact OD1-CG2 3.38Å; D104-T106 PolarHBondContact OD1-N 2.95Å; D104-T106 PolarHBondContact OD1-OG1 3.06Å; D104-T106 PolarHBondContact OD2-OG1 3.14Å; T106-A108 PolarHBondContact O-N 2.99Å; T106-A108 WeakPolarHBondContact OG1-CB 3.36Å; T106-A108 PolarHBondContact OG1-N 3.37Å; T106-A108 VanDerWaalsContact OG1-N 3.14Å; T106-G109 PolarHBondContact O-N 3.21Å; T106-K110 PolarHBondContact O-N 3.22Å
107Q87.6Confident93.6Very high53 Ų5366.2 Ų66.225%0.24833%0.329CS..Hα-helixtrans-58.6-32.2170.7-168.181.5-1300112.1G109 K110 I111 Q259Q107-G109 VanDerWaalsContact C-N 3.29Å; Q107-G109 PolarHBondContact O-N 3.13Å; Q107-K110 WeakPolarHBondContact O-CA 3.37Å; Q107-K110 WeakPolarHBondContact O-CB 3.38Å; Q107-K110 PolarHBondContact O-N 3.4Å; Q107-I111 HydrophobicContact CG-CD1 4.16Å; Q107-I111 HydrophobicContact CG-CG1 4.35Å; Q107-I111 WeakPolarHBondContact O-CG1 3.43Å; Q107-I111 PolarHBondContact O-N 2.93Å; Q107-Q259 HydrophobicContact CB-CG 3.98Å; Q107-Q259 HydrophobicContact CG-CG 4.35Å
108A89.1Confident93.5Very high37 Ų3764.8 Ų64.831%0.30632%0.322SS..Hα-helixtrans-60.2-41.4179.600000111D104 T106 K110 I111 M112D104-A108 WeakPolarHBondContact OD2-CB 3.25Å; T106-A108 PolarHBondContact O-N 2.99Å; T106-A108 WeakPolarHBondContact OG1-CB 3.36Å; T106-A108 PolarHBondContact OG1-N 3.37Å; T106-A108 VanDerWaalsContact OG1-N 3.14Å; A108-K110 PolarHBondContact O-N 2.9Å; A108-I111 WeakPolarHBondContact O-CB 3.49Å; A108-I111 PolarHBondContact O-N 2.63Å; A108-M112 HydrophobicContact CB-CE 4.5Å; A108-M112 VanDerWaalsContact O-CG 3.31Å; A108-M112 WeakPolarHBondContact O-CG 3.35Å; A108-M112 PolarHBondContact O-N 2.69Å
109G92.8Very high93.6Very high2 Ų261.3 Ų61.32%0.02131%0.308CS..Hα-helixtrans-61.4-41.517100000113.5S101 D104 T106 Q107 I111 M112 S113S101-G109 WeakPolarHBondContact CB-O 3.25Å; D104-G109 WeakPolarHBondContact O-CA 3.48Å; D104-G109 PolarHBondContact OD2-N 3.35Å; T106-G109 PolarHBondContact O-N 3.21Å; Q107-G109 VanDerWaalsContact C-N 3.29Å; Q107-G109 PolarHBondContact O-N 3.13Å; G109-I111 VanDerWaalsContact C-N 3.31Å; G109-I111 PolarHBondContact O-N 2.6Å; G109-M112 PolarHBondContact O-N 2.84Å; G109-S113 PolarHBondContact O-N 2.75Å
110K91.4Very high93.6Very high104 Ų10457.6 Ų57.645%0.45229%0.294SS..Hα-helixtrans-59.4-41.2174.2-62.9-175.1-178.6-176.70112.1T106 Q107 A108 S113 A114 F255T106-K110 PolarHBondContact O-N 3.22Å; Q107-K110 WeakPolarHBondContact O-CA 3.37Å; Q107-K110 WeakPolarHBondContact O-CB 3.38Å; Q107-K110 PolarHBondContact O-N 3.4Å; A108-K110 PolarHBondContact O-N 2.9Å; K110-S113 PolarHBondContact O-N 3.28Å; K110-A114 PolarHBondContact O-N 3.36Å; K110-A114 VanDerWaalsContact O-N 3.11Å; K110-F255 HydrophobicContact CB-CE1 4.44Å
111I93.4Very high93.6Very high59 Ų5954 Ų5430%0.30328%0.28SS..Hα-helixtrans-63.2-49.4174.4-65.1164.9000110.2Q107 A108 G109 S113 A114 V115 F255Q107-I111 HydrophobicContact CG-CD1 4.16Å; Q107-I111 HydrophobicContact CG-CG1 4.35Å; Q107-I111 WeakPolarHBondContact O-CG1 3.43Å; Q107-I111 PolarHBondContact O-N 2.93Å; A108-I111 WeakPolarHBondContact O-CB 3.49Å; A108-I111 PolarHBondContact O-N 2.63Å; G109-I111 VanDerWaalsContact C-N 3.31Å; G109-I111 PolarHBondContact O-N 2.6Å; I111-S113 VanDerWaalsContact C-N 3.29Å; I111-S113 PolarHBondContact O-N 3.16Å; I111-A114 PolarHBondContact O-N 2.92Å; I111-V115 HydrophobicContact CG2-CG2 4.06Å; I111-V115 WeakPolarHBondContact O-CB 3.39Å; I111-V115 VanDerWaalsContact O-CG2 3.28Å; I111-V115 WeakPolarHBondContact O-CG2 3.27Å; I111-V115 PolarHBondContact O-N 3.38Å; I111-F255 HydrophobicContact CB-CE1 4.47Å; I111-F255 HydrophobicContact CB-CE2 4.4Å; I111-F255 HydrophobicContact CB-CZ 4.37Å; I111-F255 HydrophobicContact CD1-CD1 4.19Å; I111-F255 HydrophobicContact CD1-CG 4.34Å; I111-F255 HydrophobicContact CG1-CB 4.32Å; I111-F255 HydrophobicContact CG1-CD1 3.43Å; I111-F255 VanDerWaalsContact CG1-CD1 3.43Å; I111-F255 HydrophobicContact CG1-CD2 3.95Å; I111-F255 HydrophobicContact CG1-CE1 3.56Å; I111-F255 HydrophobicContact CG1-CE2 4.09Å; I111-F255 HydrophobicContact CG1-CG 3.63Å; I111-F255 HydrophobicContact CG1-CZ 3.9Å; I111-F255 HydrophobicContact CG2-CD2 4.49Å
112M95.5Very high93.7Very high63 Ų6353.4 Ų53.431%0.3128%0.276SS..Hα-helixtrans-57.7-41.4178.1-69179.3-160.800111.9L97 F100 A108 G109 G116L97-M112 HydrophobicContact CB-CB 4.41Å; L97-M112 WeakPolarHBondContact CB-O 3.32Å; L97-M112 HydrophobicContact CD2-CG 4.42Å; F100-M112 HydrophobicContact CB-SD 4.22Å; A108-M112 HydrophobicContact CB-CE 4.5Å; A108-M112 VanDerWaalsContact O-CG 3.31Å; A108-M112 WeakPolarHBondContact O-CG 3.35Å; A108-M112 PolarHBondContact O-N 2.69Å; G109-M112 PolarHBondContact O-N 2.84Å; M112-G116 WeakPolarHBondContact O-CA 3.22Å; M112-G116 PolarHBondContact O-N 2.75Å
113S95.8Very high93.9Very high32 Ų3247.6 Ų47.622%0.22425%0.246CC..Hα-helixtrans-63.7-47.6178.3-157.60000112S101 G109 K110 I111 G116 K117S101-S113 WeakPolarHBondContact OG-CB 3.27Å; S101-S113 PolarHBondContact OG-OG 2.89Å; G109-S113 PolarHBondContact O-N 2.75Å; K110-S113 PolarHBondContact O-N 3.28Å; I111-S113 VanDerWaalsContact C-N 3.29Å; I111-S113 PolarHBondContact O-N 3.16Å; S113-G116 PolarHBondContact O-N 3.45Å; S113-K117 WeakPolarHBondContact O-CG 3.43Å; S113-K117 PolarHBondContact O-N 2.99Å
114A94.7Very high94Very high2 Ų244.1 Ų44.12%0.01723%0.229CC..Hα-helixtrans-66.7-45.4-179.500000112.1K110 I111 G116 K117 A118 V251 F255 F324 L328K110-A114 PolarHBondContact O-N 3.36Å; K110-A114 VanDerWaalsContact O-N 3.11Å; I111-A114 PolarHBondContact O-N 2.92Å; A114-G116 VanDerWaalsContact C-N 3.35Å; A114-K117 PolarHBondContact O-N 3.45Å; A114-A118 WeakPolarHBondContact O-CB 3.35Å; A114-A118 PolarHBondContact O-N 2.88Å; A114-V251 HydrophobicContact CB-CG1 4.2Å; A114-V251 HydrophobicContact CB-CG2 4.5Å; A114-F255 HydrophobicContact CB-CE2 3.63Å; A114-F255 HydrophobicContact CB-CZ 3.86Å; A114-F324 HydrophobicContact CB-CZ 4.27Å; A114-L328 HydrophobicContact CB-CD1 4.37Å
115V96.3Very high94.2Very high48 Ų4842.5 Ų42.529%0.29122%0.22SC..Hα-helixtrans-63-43.1175174.80000110.4L97 I111 K117 A118 L119 V251L97-V115 HydrophobicContact CD1-CB 4.32Å; L97-V115 HydrophobicContact CD1-CG1 3.73Å; I111-V115 HydrophobicContact CG2-CG2 4.06Å; I111-V115 WeakPolarHBondContact O-CB 3.39Å; I111-V115 VanDerWaalsContact O-CG2 3.28Å; I111-V115 WeakPolarHBondContact O-CG2 3.27Å; I111-V115 PolarHBondContact O-N 3.38Å; V115-K117 PolarHBondContact O-N 3.27Å; V115-A118 PolarHBondContact O-N 3.47Å; V115-A118 VanDerWaalsContact O-N 3.16Å; V115-L119 HydrophobicContact CG1-CD1 4.09Å; V115-L119 HydrophobicContact CG1-CG 4.26Å; V115-L119 WeakPolarHBondContact O-CG 3.36Å; V115-L119 PolarHBondContact O-N 3Å; V115-V251 HydrophobicContact CG2-CG1 3.97Å
116G97.4Very high94.7Very high0 Ų034.5 Ų34.50%019%0.185CC..Hα-helixtrans-59.3-47.1177.800000112.7G94 M112 S113 A114 A118 L119 S120G94-G116 WeakPolarHBondContact CA-O 3.34Å; G94-G116 WeakPolarHBondContact O-CA 3.35Å; M112-G116 WeakPolarHBondContact O-CA 3.22Å; M112-G116 PolarHBondContact O-N 2.75Å; S113-G116 PolarHBondContact O-N 3.45Å; A114-G116 VanDerWaalsContact C-N 3.35Å; G116-A118 VanDerWaalsContact C-N 3.34Å; G116-A118 PolarHBondContact O-N 3.35Å; G116-L119 PolarHBondContact O-N 2.96Å; G116-S120 PolarHBondContact O-N 2.85Å; G116-S120 PolarHBondContact O-OG 3.21Å
117K96.1Very high95.1Very high72 Ų7232.3 Ų32.331%0.31317%0.17SC..Hα-helixtrans-59.9-42.4173.4-71.7-179.4179.4-173.60112S113 A114 V115 S121 F332S113-K117 WeakPolarHBondContact O-CG 3.43Å; S113-K117 PolarHBondContact O-N 2.99Å; A114-K117 PolarHBondContact O-N 3.45Å; V115-K117 PolarHBondContact O-N 3.27Å; K117-S121 WeakPolarHBondContact O-CB 3.31Å; K117-S121 PolarHBondContact O-N 2.89Å; K117-F332 HydrophobicContact CB-CE1 4.01Å; K117-F332 HydrophobicContact CB-CE2 3.95Å; K117-F332 HydrophobicContact CB-CZ 3.46Å; K117-F332 VanDerWaalsContact CB-CZ 3.46Å; K117-F332 HydrophobicContact CD-CE2 3.95Å; K117-F332 HydrophobicContact CD-CZ 4.35Å
118A96.2Very high95.6Very high4 Ų431.8 Ų31.83%0.03317%0.171CC..Hα-helixtrans-65.3-42.7179.500000112.7A114 V115 G116 S121 S122 M247 V251A114-A118 WeakPolarHBondContact O-CB 3.35Å; A114-A118 PolarHBondContact O-N 2.88Å; V115-A118 PolarHBondContact O-N 3.47Å; V115-A118 VanDerWaalsContact O-N 3.16Å; G116-A118 VanDerWaalsContact C-N 3.34Å; G116-A118 PolarHBondContact O-N 3.35Å; A118-S121 PolarHBondContact O-N 2.97Å; A118-S122 VanDerWaalsContact O-CB 3.25Å; A118-S122 WeakPolarHBondContact O-CB 3.35Å; A118-S122 PolarHBondContact O-N 3.46Å; A118-M247 HydrophobicContact CB-CE 4.33Å; A118-M247 HydrophobicContact CB-CG 4.03Å; A118-M247 HydrophobicContact CB-SD 4.17Å; A118-M247 WeakPolarHBondContact O-CE 3.24Å; A118-V251 HydrophobicContact CB-CG2 4.08Å
119L97.2Very high96Very high36 Ų3630 Ų3019%0.18816%0.157CC..Hα-helixtrans-64.9-45.2175.9-68.6179.2000111.9E90 M93 L97 V115 G116 S121 S122 A123 M248E90-L119 HydrophobicContact CG-CB 4.08Å; E90-L119 HydrophobicContact CG-CD2 4.14Å; M93-L119 HydrophobicContact CB-CD1 4.47Å; M93-L119 HydrophobicContact CG-CD1 3.79Å; L97-L119 HydrophobicContact CD1-CD1 3.96Å; V115-L119 HydrophobicContact CG1-CD1 4.09Å; V115-L119 HydrophobicContact CG1-CG 4.26Å; V115-L119 WeakPolarHBondContact O-CG 3.36Å; V115-L119 PolarHBondContact O-N 3Å; G116-L119 PolarHBondContact O-N 2.96Å; L119-S121 VanDerWaalsContact C-N 3.34Å; L119-S121 PolarHBondContact O-N 3.2Å; L119-S122 WeakPolarHBondContact O-CB 3.44Å; L119-S122 PolarHBondContact O-N 3.42Å; L119-A123 WeakPolarHBondContact O-CB 3.13Å; L119-A123 PolarHBondContact O-N 3.22Å; L119-M248 HydrophobicContact CD2-CE 4.45Å
120S97Very high96.3Very high30 Ų3031.5 Ų31.521%0.2116%0.164CC..Hα-helixtrans-61.6-41.1175.9-73.40000112.4N91 G116 Q124N91-S120 WeakPolarHBondContact OD1-CB 3.32Å; N91-S120 PolarHBondContact OD1-OG 3.12Å; G116-S120 PolarHBondContact O-N 2.85Å; G116-S120 PolarHBondContact O-OG 3.21Å; S120-Q124 PolarHBondContact O-N 2.97Å; S120-Q124 VanDerWaalsContact O-N 3.09Å
121S95.2Very high96.5Very high12 Ų1230.9 Ų30.98%0.08417%0.173CC..Hα-helixtrans-66.4-43.2175.5175.80000111.9K117 A118 L119 A123 Q124 Q125 M247K117-S121 WeakPolarHBondContact O-CB 3.31Å; K117-S121 PolarHBondContact O-N 2.89Å; A118-S121 PolarHBondContact O-N 2.97Å; L119-S121 VanDerWaalsContact C-N 3.34Å; L119-S121 PolarHBondContact O-N 3.2Å; S121-A123 PolarHBondContact O-N 3.27Å; S121-Q124 PolarHBondContact O-N 3.29Å; S121-Q125 WeakPolarHBondContact O-CG 3.39Å; S121-Q125 PolarHBondContact O-N 3.36Å; S121-M247 WeakPolarHBondContact CB-SD 3.44Å; S121-M247 PolarHBondContact OG-SD 2.96Å
122S97.2Very high96.8Very high1 Ų128.9 Ų28.91%0.00716%0.163CC..Hα-helixtrans-57.8-46.8175.1166.60000111.5E90 A118 L119 Q124 Q125 R126 T244E90-S122 WeakPolarHBondContact OE1-CB 3.22Å; E90-S122 PolarHBondContact OE1-OG 3.04Å; A118-S122 VanDerWaalsContact O-CB 3.25Å; A118-S122 WeakPolarHBondContact O-CB 3.35Å; A118-S122 PolarHBondContact O-N 3.46Å; L119-S122 WeakPolarHBondContact O-CB 3.44Å; L119-S122 PolarHBondContact O-N 3.42Å; S122-Q124 PolarHBondContact O-N 3.45Å; S122-Q125 PolarHBondContact O-N 2.93Å; S122-R126 PolarHBondContact O-N 3.45Å; S122-T244 WeakPolarHBondContact OG-CG2 3.37Å
123A98.1Very high96.9Very high2 Ų226 Ų262%0.01715%0.149CC..Hα-helixtrans-58.8-44.3175.900000112.7S87 E90 N91 L119 S121 R126 L127S87-A123 VanDerWaalsContact O-CB 3.27Å; S87-A123 WeakPolarHBondContact O-CB 3.25Å; S87-A123 PolarHBondContact OG-O 2.89Å; E90-A123 HydrophobicContact CB-CB 4.17Å; E90-A123 HydrophobicContact CG-CB 4.22Å; N91-A123 HydrophobicContact CB-CB 3.81Å; L119-A123 WeakPolarHBondContact O-CB 3.13Å; L119-A123 PolarHBondContact O-N 3.22Å; S121-A123 PolarHBondContact O-N 3.27Å; A123-R126 PolarHBondContact O-N 3.28Å; A123-L127 PolarHBondContact O-N 2.73Å
124Q96Very high97Very high60 Ų6027.7 Ų27.728%0.2816%0.156SC..Hα-helixtrans-66.9-43.6177.7-174.363.325.900111.8S120 S121 S122 R126 L127 F340S120-Q124 PolarHBondContact O-N 2.97Å; S120-Q124 VanDerWaalsContact O-N 3.09Å; S121-Q124 PolarHBondContact O-N 3.29Å; S122-Q124 PolarHBondContact O-N 3.45Å; Q124-R126 VanDerWaalsContact C-N 3.29Å; Q124-R126 PolarHBondContact O-N 3.2Å; Q124-L127 WeakPolarHBondContact O-CB 3.45Å; Q124-L127 PolarHBondContact O-N 3.07Å; Q124-L127 VanDerWaalsContact O-N 3.17Å; Q124-F340 PolarHBondContact NE2-O 2.95Å; Q124-F340 VanDerWaalsContact NE2-O 3.16Å
125Q95.7Very high97.1Very high12 Ų1233.8 Ų33.86%0.05618%0.178CC..Hα-helixtrans-63.7-34.9176.1-66.9-65.8-10.800111.5S121 S122 L127 T128 F240 N335S121-Q125 WeakPolarHBondContact O-CG 3.39Å; S121-Q125 PolarHBondContact O-N 3.36Å; S122-Q125 PolarHBondContact O-N 2.93Å; Q125-L127 VanDerWaalsContact C-N 3.27Å; Q125-L127 PolarHBondContact O-N 3.44Å; Q125-T128 PolarHBondContact O-N 3.35Å; Q125-T128 PolarHBondContact O-OG1 3.35Å; Q125-F240 HydrophobicContact CB-CD2 3.75Å; Q125-F240 HydrophobicContact CB-CE2 4.36Å; Q125-N335 PolarHBondContact NE2-O 2.9Å; Q125-N335 VanDerWaalsContact NE2-O 3.12Å
126R97.5Very high97.2Very high26 Ų2631.5 Ų31.510%0.09817%0.165CC..Hα-helixtrans-61.1-36.1174.6-177.9-176.3-56.6121.92.8112.3L83 S87 E90 S122 A123 Q124 T128 L129 F240L83-R126 HydrophobicContact CD2-CG 3.8Å; S87-R126 WeakPolarHBondContact OG-CB 3.32Å; S87-R126 WeakPolarHBondContact OG-CD 3.22Å; E90-R126 IonicContact OE1-NH2 3.52Å; E90-R126 IonicContact OE2-CZ 2.81Å; E90-R126 IonicContact OE2-NH1 2.96Å; E90-R126 PolarHBondContact OE2-NH1 3.44Å; E90-R126 IonicContact OE2-NH2 3.58Å; E90-R126 PolarHBondContact OE2-NH2 3.01Å; S122-R126 PolarHBondContact O-N 3.45Å; A123-R126 PolarHBondContact O-N 3.28Å; Q124-R126 VanDerWaalsContact C-N 3.29Å; Q124-R126 PolarHBondContact O-N 3.2Å; R126-T128 PolarHBondContact O-N 2.73Å; R126-L129 HydrophobicContact CG-CD1 4.27Å; R126-L129 VanDerWaalsContact O-CB 3.31Å; R126-L129 WeakPolarHBondContact O-CB 3.18Å; R126-L129 WeakPolarHBondContact O-CG 3.3Å; R126-L129 PolarHBondContact O-N 2.97Å; R126-L129 VanDerWaalsContact O-N 3.13Å; R126-F240 HydrophobicContact CB-CD2 4.32Å; R126-F240 HydrophobicContact CB-CE2 3.77Å; R126-F240 HydrophobicContact CB-CZ 3.9Å; R126-F240 HydrophobicContact CG-CZ 4.28Å
127L97.8Very high97.2Very high23 Ų2331.7 Ų31.712%0.1217%0.166CC..Hα-helixtrans-65.4-20.3-179.9-67.3175.4000112.9A123 Q124 Q125 L129 L130 F342A123-L127 PolarHBondContact O-N 2.73Å; Q124-L127 WeakPolarHBondContact O-CB 3.45Å; Q124-L127 PolarHBondContact O-N 3.07Å; Q124-L127 VanDerWaalsContact O-N 3.17Å; Q125-L127 VanDerWaalsContact C-N 3.27Å; Q125-L127 PolarHBondContact O-N 3.44Å; L127-L129 PolarHBondContact O-N 2.83Å; L127-L129 VanDerWaalsContact O-N 3.14Å; L127-L130 HydrophobicContact CD2-CD1 3.91Å; L127-L130 WeakPolarHBondContact O-CB 3.49Å; L127-L130 WeakPolarHBondContact O-CG 3.33Å; L127-L130 PolarHBondContact O-N 3.32Å; L127-F342 HydrophobicContact CD1-CD1 4.37Å; L127-F342 HydrophobicContact CD1-CD2 4.39Å; L127-F342 HydrophobicContact CD1-CG 4.19Å
128T97.1Very high97.3Very high42 Ų4232.2 Ų32.226%0.25817%0.169SC..THydrogen-bonded Turntrans-64.5-18.2175.4740000112.4Q125 R126 L130 P132Q125-T128 PolarHBondContact O-N 3.35Å; Q125-T128 PolarHBondContact O-OG1 3.35Å; R126-T128 PolarHBondContact O-N 2.73Å; T128-L130 PolarHBondContact O-N 3.2Å; T128-P132 WeakPolarHBondContact O-CD 3.5Å
129L98Very high97.4Very high1 Ų134.5 Ų34.51%0.00518%0.179CC..THydrogen-bonded Turntrans-66.6-20.9173.9-62.8172.2000113.3L83 R126 L127 S131 P132 L133 Y233 T236 L237 F240L83-L129 HydrophobicContact CD1-CB 4.33Å; L83-L129 HydrophobicContact CD2-CD1 4.31Å; R126-L129 HydrophobicContact CG-CD1 4.27Å; R126-L129 VanDerWaalsContact O-CB 3.31Å; R126-L129 WeakPolarHBondContact O-CB 3.18Å; R126-L129 WeakPolarHBondContact O-CG 3.3Å; R126-L129 PolarHBondContact O-N 2.97Å; R126-L129 VanDerWaalsContact O-N 3.13Å; L127-L129 PolarHBondContact O-N 2.83Å; L127-L129 VanDerWaalsContact O-N 3.14Å; L129-S131 PolarHBondContact O-N 3.11Å; L129-P132 VanDerWaalsContact O-CD 3.28Å; L129-P132 WeakPolarHBondContact O-CD 3.28Å; L129-P132 WeakPolarHBondContact O-CG 3.44Å; L129-L133 HydrophobicContact CB-CD1 4.16Å; L129-L133 VanDerWaalsContact O-CB 3.3Å; L129-L133 WeakPolarHBondContact O-CB 3.47Å; L129-L133 WeakPolarHBondContact O-CD1 3.37Å; L129-L133 WeakPolarHBondContact O-CG 3.34Å; L129-L133 PolarHBondContact O-N 2.7Å; L129-L133 VanDerWaalsContact O-N 3.11Å; L129-Y233 HydrophobicContact CD2-CD2 4.44Å; L129-Y233 HydrophobicContact CD2-CE2 4.23Å; L129-T236 HydrophobicContact CD2-CG2 3.87Å; L129-L237 HydrophobicContact CD1-CD1 3.91Å; L129-L237 HydrophobicContact CD2-CB 3.93Å; L129-L237 HydrophobicContact CD2-CD1 4.09Å; L129-F240 HydrophobicContact CD1-CD1 4.12Å
130L98Very high97.4Very high32 Ų3232.8 Ų32.817%0.16817%0.17CC..Hα-helixtrans-63.9-40-176.6-65.7177000112.2Q80 L127 T128 L133 D134 F342Q80-L130 HydrophobicContact CB-CD2 4.1Å; Q80-L130 HydrophobicContact CG-CD2 4.25Å; L127-L130 HydrophobicContact CD2-CD1 3.91Å; L127-L130 WeakPolarHBondContact O-CB 3.49Å; L127-L130 WeakPolarHBondContact O-CG 3.33Å; L127-L130 PolarHBondContact O-N 3.32Å; T128-L130 PolarHBondContact O-N 3.2Å; L130-L133 PolarHBondContact O-N 3.48Å; L130-D134 WeakPolarHBondContact O-CB 3.3Å; L130-D134 PolarHBondContact O-N 3.48Å; L130-F342 HydrophobicContact CD1-CE2 4.39Å
131S97.3Very high97.5Very high92 Ų9235 Ų3564%0.64318%0.176SC*.Hα-helixtrans-59.5-54.6180173.10000113.5L129 L133 D134 R135L129-S131 PolarHBondContact O-N 3.11Å; S131-L133 VanDerWaalsContact C-N 3.33Å; S131-L133 PolarHBondContact O-N 3.44Å; S131-D134 PolarHBondContact O-N 3.32Å; S131-R135 PolarHBondContact O-N 3.42Å
132P98Very high97.6Very high17 Ų1736.9 Ų36.911%0.1119%0.187CC..Hα-helixtrans-68.5-30.9176.926.3-34.9000112.5T128 L129 R135 V136 T236T128-P132 WeakPolarHBondContact O-CD 3.5Å; L129-P132 VanDerWaalsContact O-CD 3.28Å; L129-P132 WeakPolarHBondContact O-CD 3.28Å; L129-P132 WeakPolarHBondContact O-CG 3.44Å; P132-R135 WeakPolarHBondContact O-CB 3.35Å; P132-R135 PolarHBondContact O-N 3.17Å; P132-V136 VanDerWaalsContact O-CG2 3.3Å; P132-V136 WeakPolarHBondContact O-CG2 3.47Å; P132-V136 PolarHBondContact O-N 2.99Å; P132-T236 HydrophobicContact CG-CG2 4.18Å
133L98.2Very high97.6Very high3 Ų337.5 Ų37.52%0.01619%0.189CC..Hα-helixtrans-67.1-39.8176-77.4171.4000113L76 Y79 Q80 L83 L129 L130 S131 R135 V136 N137 Y233L76-L133 HydrophobicContact CD2-CD2 4.03Å; Y79-L133 HydrophobicContact CD1-CD1 3.73Å; Y79-L133 HydrophobicContact CD1-CD2 3.85Å; Y79-L133 HydrophobicContact CD1-CG 4.48Å; Y79-L133 HydrophobicContact CE1-CD1 3.58Å; Y79-L133 HydrophobicContact CE1-CD2 3.9Å; Y79-L133 HydrophobicContact CE1-CG 4.38Å; Q80-L133 HydrophobicContact CG-CB 3.86Å; Q80-L133 HydrophobicContact CG-CD1 4.17Å; Q80-L133 PolarHBondContact NE2-O 3.26Å; L83-L133 HydrophobicContact CD1-CD1 3.3Å; L129-L133 HydrophobicContact CB-CD1 4.16Å; L129-L133 VanDerWaalsContact O-CB 3.3Å; L129-L133 WeakPolarHBondContact O-CB 3.47Å; L129-L133 WeakPolarHBondContact O-CD1 3.37Å; L129-L133 WeakPolarHBondContact O-CG 3.34Å; L129-L133 PolarHBondContact O-N 2.7Å; L129-L133 VanDerWaalsContact O-N 3.11Å; L130-L133 PolarHBondContact O-N 3.48Å; S131-L133 VanDerWaalsContact C-N 3.33Å; S131-L133 PolarHBondContact O-N 3.44Å; L133-R135 VanDerWaalsContact C-N 3.31Å; L133-V136 PolarHBondContact O-N 2.97Å; L133-N137 WeakPolarHBondContact O-CB 3.3Å; L133-N137 PolarHBondContact O-N 3.47Å; L133-Y233 HydrophobicContact CD1-CD2 4.41Å; L133-Y233 HydrophobicContact CD1-CE2 4.1Å; L133-Y233 HydrophobicContact CD2-CD2 3.56Å; L133-Y233 HydrophobicContact CD2-CE2 3.61Å; L133-Y233 HydrophobicContact CD2-CG 4.17Å; L133-Y233 HydrophobicContact CG-CD2 3.69Å; L133-Y233 HydrophobicContact CG-CE2 3.83Å
134D97.7Very high97.6Very high67 Ų6741.4 Ų41.436%0.35820%0.204SC..Hα-helixtrans-61.4-43.9173.5-178.851000110.2L130 S131 V136 N137 Q138L130-D134 WeakPolarHBondContact O-CB 3.3Å; L130-D134 PolarHBondContact O-N 3.48Å; S131-D134 PolarHBondContact O-N 3.32Å; D134-V136 PolarHBondContact O-N 2.9Å; D134-N137 PolarHBondContact O-N 3.45Å; D134-N137 VanDerWaalsContact O-N 3.11Å; D134-Q138 VanDerWaalsContact O-CG 3.32Å; D134-Q138 WeakPolarHBondContact O-CG 3.49Å; D134-Q138 PolarHBondContact O-N 3.3Å; D134-Q138 PolarHBondContact OD2-NE2 3.46Å
135R97.8Very high97.7Very high129 Ų12944.2 Ų44.249%0.48722%0.217SC..Hα-helixtrans-56.8-47173.9-177.162.4176.6144.413.4112.6S131 P132 L133 N137 Q138 E139 V229S131-R135 PolarHBondContact O-N 3.42Å; P132-R135 WeakPolarHBondContact O-CB 3.35Å; P132-R135 PolarHBondContact O-N 3.17Å; L133-R135 VanDerWaalsContact C-N 3.31Å; R135-N137 VanDerWaalsContact C-N 3.33Å; R135-N137 PolarHBondContact O-N 3.37Å; R135-Q138 PolarHBondContact O-N 3.2Å; R135-E139 IonicContact CZ-OE1 3.96Å; R135-E139 IonicContact NE-OE1 3.63Å; R135-E139 IonicContact NH1-OE1 2.93Å; R135-E139 PolarHBondContact NH1-OE1 3.39Å; R135-E139 IonicContact NH2-OE1 3.85Å; R135-E139 PolarHBondContact NH2-OE1 3.41Å; R135-E139 WeakPolarHBondContact O-CG 3.42Å; R135-E139 PolarHBondContact O-N 3.33Å; R135-E139 VanDerWaalsContact O-N 3.12Å; R135-V229 HydrophobicContact CG-CG2 4.2Å
136V98.2Very high97.8Very high1 Ų152.4 Ų52.41%0.00625%0.247CC..Hα-helixtrans-60.1-44.8175.7178.40000110.6L76 P132 L133 D134 E139 V140 V229 L230L76-V136 HydrophobicContact CD1-CG1 3.71Å; L76-V136 HydrophobicContact CD2-CG1 4.04Å; P132-V136 VanDerWaalsContact O-CG2 3.3Å; P132-V136 WeakPolarHBondContact O-CG2 3.47Å; P132-V136 PolarHBondContact O-N 2.99Å; L133-V136 PolarHBondContact O-N 2.97Å; D134-V136 PolarHBondContact O-N 2.9Å; V136-E139 PolarHBondContact O-N 2.93Å; V136-V140 HydrophobicContact CG1-CG2 4.47Å; V136-V140 WeakPolarHBondContact O-CG2 3.21Å; V136-V140 PolarHBondContact O-N 3.23Å; V136-V229 HydrophobicContact CB-CG2 4.3Å; V136-V229 HydrophobicContact CG1-CG1 4.24Å; V136-V229 HydrophobicContact CG2-CG1 4.21Å; V136-V229 HydrophobicContact CG2-CG2 3.88Å; V136-L230 HydrophobicContact CG1-CD2 4.1Å; V136-L230 HydrophobicContact CG2-CD2 4.2Å
137N97.9Very high97.8Very high4 Ų452.8 Ų52.82%0.02126%0.256CS..Hα-helixtrans-64.7-43.5-179.1-172.8-95.5000112.3D73 L76 L133 D134 R135 E139 V140 K141D73-N137 PolarHBondContact O-ND2 3.01Å; D73-N137 PolarHBondContact OD1-ND2 3.48Å; L76-N137 HydrophobicContact CB-CB 4.25Å; L76-N137 WeakPolarHBondContact CB-ND2 3.38Å; L76-N137 HydrophobicContact CD1-CB 4.3Å; L133-N137 WeakPolarHBondContact O-CB 3.3Å; L133-N137 PolarHBondContact O-N 3.47Å; D134-N137 PolarHBondContact O-N 3.45Å; D134-N137 VanDerWaalsContact O-N 3.11Å; R135-N137 VanDerWaalsContact C-N 3.33Å; R135-N137 PolarHBondContact O-N 3.37Å; N137-E139 PolarHBondContact O-N 3.3Å; N137-V140 PolarHBondContact O-N 3.42Å; N137-K141 WeakPolarHBondContact O-CB 3.44Å; N137-K141 WeakPolarHBondContact O-CG 3.35Å; N137-K141 PolarHBondContact O-N 3Å; N137-K141 VanDerWaalsContact OD1-CD 3.32Å; N137-K141 WeakPolarHBondContact OD1-CD 3.35Å; N137-K141 WeakPolarHBondContact OD1-CE 3.42Å; N137-K141 PolarHBondContact OD1-NZ 3.46Å
138Q97.5Very high97.9Very high83 Ų8352 Ų5239%0.38825%0.252SS..Hα-helixtrans-60.6-42.1175.9-71.2179.610.600112.6D134 R135 K141 T142D134-Q138 VanDerWaalsContact O-CG 3.32Å; D134-Q138 WeakPolarHBondContact O-CG 3.49Å; D134-Q138 PolarHBondContact O-N 3.3Å; D134-Q138 PolarHBondContact OD2-NE2 3.46Å; R135-Q138 PolarHBondContact O-N 3.2Å; Q138-K141 PolarHBondContact O-N 3.43Å; Q138-T142 WeakPolarHBondContact O-CB 3.42Å; Q138-T142 PolarHBondContact O-N 3.47Å; Q138-T142 PolarHBondContact O-OG1 3.39Å
139E97.9Very high97.9Very high51 Ų5152.5 Ų52.524%0.23826%0.257CS..Hα-helixtrans-65.9-45.4177.4-72.9-62.114700111.4R135 V136 N137 K141 T142 F143 M225 V229R135-E139 IonicContact CZ-OE1 3.96Å; R135-E139 IonicContact NE-OE1 3.63Å; R135-E139 IonicContact NH1-OE1 2.93Å; R135-E139 PolarHBondContact NH1-OE1 3.39Å; R135-E139 IonicContact NH2-OE1 3.85Å; R135-E139 PolarHBondContact NH2-OE1 3.41Å; R135-E139 WeakPolarHBondContact O-CG 3.42Å; R135-E139 PolarHBondContact O-N 3.33Å; R135-E139 VanDerWaalsContact O-N 3.12Å; V136-E139 PolarHBondContact O-N 2.93Å; N137-E139 PolarHBondContact O-N 3.3Å; E139-K141 PolarHBondContact O-N 2.87Å; E139-T142 PolarHBondContact O-N 2.83Å; E139-F143 WeakPolarHBondContact O-CB 3.24Å; E139-F143 PolarHBondContact O-N 2.92Å; E139-M225 HydrophobicContact CB-CG 4.43Å; E139-M225 HydrophobicContact CB-SD 4.19Å; E139-V229 HydrophobicContact CB-CG2 4.16Å; E139-V229 HydrophobicContact CG-CG2 3.89Å
140V98.3Very high97.9Very high0 Ų056.4 Ų56.40%028%0.278CS..Hα-helixtrans-61.1-43175.5173.70000111.4C69 L72 D73 L76 V136 N137 F143 R144 M225C69-V140 WeakPolarHBondContact O-CG1 3.4Å; L72-V140 HydrophobicContact CD2-CG1 4.46Å; L72-V140 HydrophobicContact CD2-CG2 3.8Å; L72-V140 HydrophobicContact CG-CG1 4.49Å; L72-V140 HydrophobicContact CG-CG2 4.29Å; D73-V140 HydrophobicContact CB-CG1 4.04Å; L76-V140 HydrophobicContact CD1-CG2 4.16Å; V136-V140 HydrophobicContact CG1-CG2 4.47Å; V136-V140 WeakPolarHBondContact O-CG2 3.21Å; V136-V140 PolarHBondContact O-N 3.23Å; N137-V140 PolarHBondContact O-N 3.42Å; V140-F143 PolarHBondContact O-N 3.32Å; V140-R144 WeakPolarHBondContact O-CB 3.34Å; V140-R144 PolarHBondContact O-N 3.2Å; V140-M225 HydrophobicContact CG2-CE 4.02Å
141K97.7Very high97.9Very high78 Ų7855.3 Ų55.334%0.33927%0.272SS..Hα-helixtrans-60.2-48.7174.9-80.5173.5173.8161.20111.7D73 N137 Q138 E139 F143 R144 Q145D73-K141 VanDerWaalsContact OD1-CE 3.22Å; D73-K141 WeakPolarHBondContact OD1-CE 3.33Å; D73-K141 WeakPolarHBondContact OD1-CG 3.32Å; D73-K141 WeakPolarHBondContact OD2-CG 3.42Å; N137-K141 WeakPolarHBondContact O-CB 3.44Å; N137-K141 WeakPolarHBondContact O-CG 3.35Å; N137-K141 PolarHBondContact O-N 3Å; N137-K141 VanDerWaalsContact OD1-CD 3.32Å; N137-K141 WeakPolarHBondContact OD1-CD 3.35Å; N137-K141 WeakPolarHBondContact OD1-CE 3.42Å; N137-K141 PolarHBondContact OD1-NZ 3.46Å; Q138-K141 PolarHBondContact O-N 3.43Å; E139-K141 PolarHBondContact O-N 2.87Å; K141-F143 PolarHBondContact O-N 3.12Å; K141-R144 PolarHBondContact O-N 3.4Å; K141-Q145 WeakPolarHBondContact O-CB 3.21Å; K141-Q145 WeakPolarHBondContact O-CG 3.35Å; K141-Q145 PolarHBondContact O-N 3.12Å
142T97.7Very high98Very high50 Ų5053.2 Ų53.231%0.30726%0.256SS..Hα-helixtrans-62.9-43.4180-60.60000111Q138 E139 R144 Q145 R146Q138-T142 WeakPolarHBondContact O-CB 3.42Å; Q138-T142 PolarHBondContact O-N 3.47Å; Q138-T142 PolarHBondContact O-OG1 3.39Å; E139-T142 PolarHBondContact O-N 2.83Å; T142-R144 VanDerWaalsContact C-N 3.33Å; T142-R144 PolarHBondContact O-N 3.03Å; T142-Q145 PolarHBondContact O-N 3.48Å; T142-R146 HydrophobicContact CG2-CG 4.27Å; T142-R146 WeakPolarHBondContact O-CB 3.43Å; T142-R146 PolarHBondContact O-N 3.11Å
143F98.4Very high98Very high14 Ų1456.4 Ų56.46%0.06127%0.272CS..Hα-helixtrans-58.5-44.5175.4-172.8-95000111.7V65 E139 V140 K141 A147 I148 L218 R222 M225V65-F143 HydrophobicContact CG1-CE1 4.29Å; E139-F143 WeakPolarHBondContact O-CB 3.24Å; E139-F143 PolarHBondContact O-N 2.92Å; V140-F143 PolarHBondContact O-N 3.32Å; K141-F143 PolarHBondContact O-N 3.12Å; F143-A147 HydrophobicContact CD2-CB 3.88Å; F143-A147 HydrophobicContact CE2-CB 3.9Å; F143-A147 HydrophobicContact CG-CB 4.33Å; F143-A147 HydrophobicContact CZ-CB 4.37Å; F143-A147 WeakPolarHBondContact O-CB 3.2Å; F143-A147 PolarHBondContact O-N 2.86Å; F143-I148 HydrophobicContact CD1-CD1 3.86Å; F143-I148 HydrophobicContact CD1-CG1 3.83Å; F143-I148 HydrophobicContact CE1-CD1 3.86Å; F143-I148 HydrophobicContact CE1-CG1 3.68Å; F143-I148 PolarHBondContact O-N 3.22Å; F143-L218 HydrophobicContact CE1-CD1 3.98Å; F143-L218 HydrophobicContact CE1-CG 4.46Å; F143-L218 HydrophobicContact CE2-CD1 4.05Å; F143-L218 HydrophobicContact CZ-CD1 3.43Å; F143-L218 VanDerWaalsContact CZ-CD1 3.43Å; F143-L218 HydrophobicContact CZ-CG 3.98Å; F143-R222 HydrophobicContact CE1-CB 4.09Å; F143-R222 HydrophobicContact CE2-CB 4.47Å; F143-R222 HydrophobicContact CZ-CB 3.75Å; F143-M225 HydrophobicContact CB-CE 4.42Å; F143-M225 HydrophobicContact CB-SD 3.66Å; F143-M225 HydrophobicContact CD2-SD 3.97Å; F143-M225 HydrophobicContact CG-CE 4.44Å; F143-M225 HydrophobicContact CG-SD 3.93Å
144R97.9Very high98Very high85 Ų8556.9 Ų56.932%0.32128%0.275SS..Iπ-helixtrans-65.3-45.7176.8-175.917459.683.2-6.4112.7D73 V140 K141 T142 I148 S149D73-R144 IonicContact OD2-CZ 3.02Å; D73-R144 IonicContact OD2-NE 3.06Å; D73-R144 PolarHBondContact OD2-NE 3.44Å; D73-R144 IonicContact OD2-NH2 3.66Å; D73-R144 PolarHBondContact OD2-NH2 3.47Å; V140-R144 WeakPolarHBondContact O-CB 3.34Å; V140-R144 PolarHBondContact O-N 3.2Å; K141-R144 PolarHBondContact O-N 3.4Å; T142-R144 VanDerWaalsContact C-N 3.33Å; T142-R144 PolarHBondContact O-N 3.03Å; R144-I148 HydrophobicContact CB-CD1 4.4Å; R144-I148 WeakPolarHBondContact O-CB 3.34Å; R144-S149 PolarHBondContact O-N 3.02Å
145Q97.4Very high98Very high119 Ų11954.6 Ų54.656%0.55626%0.264SS*.Iπ-helixtrans-73.7-31.5-176.2-71.5175.7-7.900113K141 T142 S149K141-Q145 WeakPolarHBondContact O-CB 3.21Å; K141-Q145 WeakPolarHBondContact O-CG 3.35Å; K141-Q145 PolarHBondContact O-N 3.12Å; T142-Q145 PolarHBondContact O-N 3.48Å; Q145-S149 WeakPolarHBondContact O-CB 3.26Å
146R97.8Very high98Very high184 Ų18455.8 Ų55.869%0.69427%0.272SS*.Iπ-helixtrans-104-69.2-176-59.1-171.3179170.8-0.3112T142 S149 D150T142-R146 HydrophobicContact CG2-CG 4.27Å; T142-R146 WeakPolarHBondContact O-CB 3.43Å; T142-R146 PolarHBondContact O-N 3.11Å; R146-S149 PolarHBondContact O-N 3.45Å; R146-D150 WeakPolarHBondContact O-CB 3.47Å; R146-D150 PolarHBondContact O-N 3.09Å
147A98Very high98Very high33 Ų3360.3 Ų60.327%0.27330%0.296SS..Iπ-helixtrans-66.2-47.8-17100000112.5F143 T151 L218F143-A147 HydrophobicContact CD2-CB 3.88Å; F143-A147 HydrophobicContact CE2-CB 3.9Å; F143-A147 HydrophobicContact CG-CB 4.33Å; F143-A147 HydrophobicContact CZ-CB 4.37Å; F143-A147 WeakPolarHBondContact O-CB 3.2Å; F143-A147 PolarHBondContact O-N 2.86Å; A147-T151 PolarHBondContact O-N 3.06Å; A147-T151 VanDerWaalsContact O-N 3.13Å; A147-T151 PolarHBondContact O-OG1 3.42Å; A147-L218 HydrophobicContact CB-CD1 3.69Å
148I98.3Very high98Very high7 Ų760.1 Ų60.14%0.03629%0.294CS..Iπ-helixtrans-66.4-43.1177.9-65.2-173.3000110.5V65 Q66 C69 F143 R144 T151 T152 L218V65-I148 HydrophobicContact CG1-CD1 4.05Å; V65-I148 HydrophobicContact CG1-CG1 4.46Å; Q66-I148 HydrophobicContact CB-CG2 4.49Å; Q66-I148 HydrophobicContact CG-CG2 3.37Å; C69-I148 HydrophobicContact CB-CD1 3.92Å; F143-I148 HydrophobicContact CD1-CD1 3.86Å; F143-I148 HydrophobicContact CD1-CG1 3.83Å; F143-I148 HydrophobicContact CE1-CD1 3.86Å; F143-I148 HydrophobicContact CE1-CG1 3.68Å; F143-I148 PolarHBondContact O-N 3.22Å; R144-I148 HydrophobicContact CB-CD1 4.4Å; R144-I148 WeakPolarHBondContact O-CB 3.34Å; I148-T151 PolarHBondContact O-N 3.43Å; I148-T152 WeakPolarHBondContact O-CB 3.32Å; I148-T152 PolarHBondContact O-N 3.3Å; I148-T152 PolarHBondContact O-OG1 3.4Å; I148-L218 HydrophobicContact CG1-CD1 4.25Å; I148-L218 HydrophobicContact CG1-CD2 4.31Å
149S97.9Very high98Very high53 Ų5357.9 Ų57.937%0.37128%0.284SS..Hα-helixtrans-62.5-44.4179.8-166.60000112.4R144 Q145 R146 T151 T152 N153R144-S149 PolarHBondContact O-N 3.02Å; Q145-S149 WeakPolarHBondContact O-CB 3.26Å; R146-S149 PolarHBondContact O-N 3.45Å; S149-T151 PolarHBondContact O-N 3.27Å; S149-T152 WeakPolarHBondContact O-CB 2.96Å; S149-T152 PolarHBondContact O-N 3.17Å; S149-N153 VanDerWaalsContact O-CG 3.3Å; S149-N153 PolarHBondContact O-N 3.06Å; S149-N153 PolarHBondContact O-ND2 2.93Å
150D98.3Very high98Very high83 Ų8361 Ų6144%0.44430%0.298SS..Hα-helixtrans-59.6-47.6174.4-178.474.9000112.2R146 T152 N153 T154 K214R146-D150 WeakPolarHBondContact O-CB 3.47Å; R146-D150 PolarHBondContact O-N 3.09Å; D150-T152 VanDerWaalsContact C-N 3.28Å; D150-T152 PolarHBondContact O-N 2.89Å; D150-N153 WeakPolarHBondContact O-CB 3.44Å; D150-N153 PolarHBondContact O-N 3.14Å; D150-N153 VanDerWaalsContact O-N 3.17Å; D150-T154 PolarHBondContact O-N 2.71Å; D150-T154 PolarHBondContact O-OG1 2.94Å; D150-T154 VanDerWaalsContact O-OG1 3.05Å; D150-K214 IonicContact OD2-NZ 2.71Å; D150-K214 PolarHBondContact OD2-NZ 3.2Å
151T98.3Very high98Very high8 Ų861.2 Ų61.25%0.04930%0.301CS..Hα-helixtrans-63-39.6179.5-52.90000110.8L62 A147 I148 S149 N153 T154 V155 K214 V215 L218L62-T151 HydrophobicContact CD1-CG2 4.02Å; L62-T151 HydrophobicContact CD2-CG2 4.27Å; A147-T151 PolarHBondContact O-N 3.06Å; A147-T151 VanDerWaalsContact O-N 3.13Å; A147-T151 PolarHBondContact O-OG1 3.42Å; I148-T151 PolarHBondContact O-N 3.43Å; S149-T151 PolarHBondContact O-N 3.27Å; T151-N153 PolarHBondContact O-N 2.79Å; T151-T154 WeakPolarHBondContact O-CB 3.34Å; T151-T154 PolarHBondContact O-N 3.38Å; T151-V155 WeakPolarHBondContact O-CG2 3.22Å; T151-V155 PolarHBondContact O-N 2.86Å; T151-K214 HydrophobicContact CG2-CB 4.29Å; T151-V215 HydrophobicContact CG2-CG2 3.86Å; T151-L218 HydrophobicContact CG2-CD2 4.07Å
152T98.3Very high98Very high49 Ų4958 Ų5830%0.30129%0.286SS..Hα-helixtrans-62.4-42175.6-54.40000111.6Q66 I148 S149 D150 V155 K156Q66-T152 PolarHBondContact NE2-OG1 3.3Å; I148-T152 WeakPolarHBondContact O-CB 3.32Å; I148-T152 PolarHBondContact O-N 3.3Å; I148-T152 PolarHBondContact O-OG1 3.4Å; S149-T152 WeakPolarHBondContact O-CB 2.96Å; S149-T152 PolarHBondContact O-N 3.17Å; D150-T152 VanDerWaalsContact C-N 3.28Å; D150-T152 PolarHBondContact O-N 2.89Å; T152-V155 PolarHBondContact O-N 2.86Å; T152-K156 WeakPolarHBondContact O-CB 3.44Å; T152-K156 PolarHBondContact O-N 3.33Å
153N98.1Very high97.9Very high84 Ų8456.6 Ų56.645%0.44928%0.278SS..Hα-helixtrans-64-41.1175.6-71.5-32.1000111.7S149 D150 T151 K156 I157S149-N153 VanDerWaalsContact O-CG 3.3Å; S149-N153 PolarHBondContact O-N 3.06Å; S149-N153 PolarHBondContact O-ND2 2.93Å; D150-N153 WeakPolarHBondContact O-CB 3.44Å; D150-N153 PolarHBondContact O-N 3.14Å; D150-N153 VanDerWaalsContact O-N 3.17Å; T151-N153 PolarHBondContact O-N 2.79Å; N153-K156 WeakPolarHBondContact O-CB 3.44Å; N153-K156 PolarHBondContact O-N 3.49Å; N153-I157 WeakPolarHBondContact O-CG1 3.36Å; N153-I157 PolarHBondContact O-N 3.34Å; N153-I157 VanDerWaalsContact O-N 3.13Å
154T98.1Very high97.9Very high13 Ų1359.2 Ų59.28%0.0829%0.29CS..Hα-helixtrans-61.7-47.3175.5-53.60000111.1D150 T151 K156 I157 M158 D210 K214D150-T154 PolarHBondContact O-N 2.71Å; D150-T154 PolarHBondContact O-OG1 2.94Å; D150-T154 VanDerWaalsContact O-OG1 3.05Å; T151-T154 WeakPolarHBondContact O-CB 3.34Å; T151-T154 PolarHBondContact O-N 3.38Å; T154-K156 VanDerWaalsContact C-N 3.29Å; T154-K156 PolarHBondContact O-N 2.87Å; T154-I157 PolarHBondContact O-N 3.49Å; T154-M158 PolarHBondContact O-N 3.45Å; T154-D210 WeakPolarHBondContact CG2-OD2 3.12Å; T154-K214 HydrophobicContact CG2-CD 3.93Å; T154-K214 PolarHBondContact OG1-NZ 2.85Å
155V98.3Very high97.9Very high19 Ų1957 Ų5712%0.11528%0.282CS..Hα-helixtrans-60.2-38.1175.3163.20000111.8L59 L62 T151 T152 I157 M158 E159 V215L59-V155 HydrophobicContact CD2-CB 4.3Å; L59-V155 HydrophobicContact CD2-CG1 3.48Å; L59-V155 VanDerWaalsContact CD2-CG1 3.48Å; L59-V155 HydrophobicContact CD2-CG2 3.79Å; L62-V155 HydrophobicContact CD2-CB 4.29Å; L62-V155 HydrophobicContact CD2-CG2 3.74Å; T151-V155 WeakPolarHBondContact O-CG2 3.22Å; T151-V155 PolarHBondContact O-N 2.86Å; T152-V155 PolarHBondContact O-N 2.86Å; V155-I157 PolarHBondContact O-N 3.28Å; V155-M158 HydrophobicContact CG1-CE 4.13Å; V155-M158 PolarHBondContact O-N 3.43Å; V155-E159 WeakPolarHBondContact O-CB 3.4Å; V155-E159 PolarHBondContact O-N 3.46Å; V155-V215 HydrophobicContact CG2-CG2 4.44Å
156K98.1Very high97.8Very high153 Ų15352.5 Ų52.567%0.66526%0.26SS*.Hα-helixtrans-61.4-43.1176.5-175.1-179.2178.7-178.90111.9T152 N153 T154 E159 Q160T152-K156 WeakPolarHBondContact O-CB 3.44Å; T152-K156 PolarHBondContact O-N 3.33Å; N153-K156 WeakPolarHBondContact O-CB 3.44Å; N153-K156 PolarHBondContact O-N 3.49Å; T154-K156 VanDerWaalsContact C-N 3.29Å; T154-K156 PolarHBondContact O-N 2.87Å; K156-E159 PolarHBondContact O-N 3.34Å; K156-Q160 PolarHBondContact O-N 3.43Å; K156-Q160 VanDerWaalsContact O-N 3.07Å
157I98.4Very high97.8Very high97 Ų9743.7 Ų43.750%0.49723%0.227SC..Hα-helixtrans-65.4-43.5175.8-64166.6000110.2N153 T154 V155 E159 Q160 G161 L207N153-I157 WeakPolarHBondContact O-CG1 3.36Å; N153-I157 PolarHBondContact O-N 3.34Å; N153-I157 VanDerWaalsContact O-N 3.13Å; T154-I157 PolarHBondContact O-N 3.49Å; V155-I157 PolarHBondContact O-N 3.28Å; I157-E159 PolarHBondContact O-N 2.9Å; I157-Q160 WeakPolarHBondContact O-CB 3.22Å; I157-Q160 PolarHBondContact O-N 2.88Å; I157-G161 PolarHBondContact O-N 3.25Å; I157-L207 HydrophobicContact CG2-CD1 4.21Å; I157-L207 HydrophobicContact CG2-CD2 3.89Å
158M98.4Very high97.7Very high0 Ų042.3 Ų42.30%022%0.215CC..Hα-helixtrans-61.6-43.4176.5177.8-75-5800112.1L55 L59 T154 V155 Q160 G161 R162 F204 L207 S211L55-M158 HydrophobicContact CD1-CE 3.79Å; L55-M158 HydrophobicContact CD1-SD 4.07Å; L55-M158 HydrophobicContact CD2-CE 4.01Å; L55-M158 HydrophobicContact CD2-SD 3.42Å; L55-M158 WeakPolarHBondContact CD2-SD 3.32Å; L55-M158 HydrophobicContact CG-CE 4.26Å; L55-M158 HydrophobicContact CG-SD 4.28Å; L59-M158 HydrophobicContact CD1-CE 4.21Å; L59-M158 HydrophobicContact CD2-CE 3.95Å; T154-M158 PolarHBondContact O-N 3.45Å; V155-M158 HydrophobicContact CG1-CE 4.13Å; V155-M158 PolarHBondContact O-N 3.43Å; M158-Q160 VanDerWaalsContact C-N 3.29Å; M158-Q160 PolarHBondContact O-N 3.05Å; M158-G161 CarbonylContact O-C 3.53Å; M158-G161 WeakPolarHBondContact O-CA 3.33Å; M158-G161 PolarHBondContact O-N 2.92Å; M158-R162 PolarHBondContact O-N 3.24Å; M158-F204 HydrophobicContact CG-CE2 4.47Å; M158-F204 HydrophobicContact SD-CE2 3.89Å; M158-L207 HydrophobicContact CB-CB 3.94Å; M158-L207 HydrophobicContact CG-CB 3.96Å; M158-L207 WeakPolarHBondContact CG-O 3.46Å; M158-S211 WeakPolarHBondContact CB-OG 3.39Å; M158-S211 WeakPolarHBondContact CG-OG 3.46Å
159E97.6Very high97.6Very high36 Ų3643.2 Ų43.217%0.16822%0.22CC..Hα-helixtrans-67.4-31.6179.6-168.458.1-140.500112K38 V155 K156 I157 R162 T163K38-E159 VanDerWaalsContact NZ-CD 3.33Å; K38-E159 IonicContact NZ-OE1 3.22Å; K38-E159 PolarHBondContact NZ-OE1 3.37Å; V155-E159 WeakPolarHBondContact O-CB 3.4Å; V155-E159 PolarHBondContact O-N 3.46Å; K156-E159 PolarHBondContact O-N 3.34Å; I157-E159 PolarHBondContact O-N 2.9Å; E159-R162 WeakPolarHBondContact OE1-CD 3.43Å; E159-R162 IonicContact OE1-NH1 3.11Å; E159-R162 IonicContact OE2-NH1 3.38Å; E159-R162 PolarHBondContact OE2-NH1 3.16Å; E159-T163 WeakPolarHBondContact O-CB 3.37Å; E159-T163 PolarHBondContact O-N 2.89Å; E159-T163 PolarHBondContact O-OG1 2.99Å
160Q97Very high97.5Very high115 Ų11542.7 Ų42.754%0.53721%0.213SC..Hα-helixtrans-63.3-49.3167.3179.5-179.7-13.200110.8K156 I157 M158 R162 T163 E164K156-Q160 PolarHBondContact O-N 3.43Å; K156-Q160 VanDerWaalsContact O-N 3.07Å; I157-Q160 WeakPolarHBondContact O-CB 3.22Å; I157-Q160 PolarHBondContact O-N 2.88Å; M158-Q160 VanDerWaalsContact C-N 3.29Å; M158-Q160 PolarHBondContact O-N 3.05Å; Q160-R162 VanDerWaalsContact C-N 3.28Å; Q160-R162 PolarHBondContact O-N 3.34Å; Q160-T163 WeakPolarHBondContact O-CB 3.38Å; Q160-T163 PolarHBondContact O-N 3.33Å; Q160-T163 VanDerWaalsContact O-N 3.09Å; Q160-E164 WeakPolarHBondContact CG-OE1 3.39Å; Q160-E164 PolarHBondContact NE2-OE1 3.46Å; Q160-E164 WeakPolarHBondContact O-CG 3.45Å; Q160-E164 PolarHBondContact O-N 2.92Å
161G97.7Very high97.4Very high5 Ų539.1 Ų39.15%0.05219%0.193CC..Hα-helixtrans-58.1-38.7176.200000113.1I157 M158 E164 Y165I157-G161 PolarHBondContact O-N 3.25Å; M158-G161 CarbonylContact O-C 3.53Å; M158-G161 WeakPolarHBondContact O-CA 3.33Å; M158-G161 PolarHBondContact O-N 2.92Å; G161-E164 PolarHBondContact O-N 3.17Å; G161-Y165 WeakPolarHBondContact O-CB 3.47Å; G161-Y165 PolarHBondContact O-N 3.11Å
162R97.5Very high97.2Very high10 Ų1041 Ų414%0.03820%0.202CC..Hα-helixtrans-60.9-46.9173.1-167.4-174.7-141.4178.26.6111.6D52 D56 M158 E159 Q160 E164 Y165 R166 F204D52-R162 VanDerWaalsContact CG-CZ 3.45Å; D52-R162 PolarHBondContact O-NH2 3.22Å; D52-R162 IonicContact OD1-CZ 2.7Å; D52-R162 IonicContact OD1-NE 3.9Å; D52-R162 PolarHBondContact OD1-NE 3.17Å; D52-R162 IonicContact OD1-NH2 2.9Å; D52-R162 PolarHBondContact OD1-NH2 3.35Å; D52-R162 IonicContact OD2-CZ 2.95Å; D52-R162 IonicContact OD2-NE 3.54Å; D52-R162 PolarHBondContact OD2-NE 3.18Å; D52-R162 IonicContact OD2-NH2 3.62Å; D56-R162 IonicContact OD1-CZ 2.73Å; D56-R162 IonicContact OD1-NH1 3.04Å; D56-R162 PolarHBondContact OD1-NH1 3.03Å; D56-R162 IonicContact OD1-NH2 3.98Å; D56-R162 PolarHBondContact OD1-NH2 2.84Å; D56-R162 IonicContact OD2-NH2 3.47Å; M158-R162 PolarHBondContact O-N 3.24Å; E159-R162 WeakPolarHBondContact OE1-CD 3.43Å; E159-R162 IonicContact OE1-NH1 3.11Å; E159-R162 IonicContact OE2-NH1 3.38Å; E159-R162 PolarHBondContact OE2-NH1 3.16Å; Q160-R162 VanDerWaalsContact C-N 3.28Å; Q160-R162 PolarHBondContact O-N 3.34Å; R162-E164 VanDerWaalsContact C-N 3.34Å; R162-Y165 PolarHBondContact O-N 3.03Å; R162-R166 WeakPolarHBondContact O-CB 3.19Å; R162-R166 WeakPolarHBondContact O-CG 3.35Å; R162-R166 PolarHBondContact O-N 2.9Å; R162-F204 VanDerWaalsContact CA-CD2 3.49Å; R162-F204 HydrophobicContact CB-CD2 3.79Å; R162-F204 HydrophobicContact CB-CE2 3.45Å; R162-F204 VanDerWaalsContact CB-CE2 3.45Å; R162-F204 HydrophobicContact CB-CZ 4.13Å; R162-F204 HydrophobicContact CG-CD2 4.33Å; R162-F204 HydrophobicContact CG-CE2 3.63Å; R162-F204 HydrophobicContact CG-CZ 3.77Å
163T96.6Very high97Very high22 Ų2243.9 Ų43.914%0.13521%0.211CC..Hα-helixtrans-64.4-40.5179.1-57.80000111.2T31 Q34 A35 E159 Q160 G167T31-T163 HydrophobicContact CG2-CG2 4.22Å; Q34-T163 HydrophobicContact CB-CG2 4.48Å; Q34-T163 HydrophobicContact CG-CG2 4.27Å; A35-T163 HydrophobicContact CB-CG2 3.97Å; E159-T163 WeakPolarHBondContact O-CB 3.37Å; E159-T163 PolarHBondContact O-N 2.89Å; E159-T163 PolarHBondContact O-OG1 2.99Å; Q160-T163 WeakPolarHBondContact O-CB 3.38Å; Q160-T163 PolarHBondContact O-N 3.33Å; Q160-T163 VanDerWaalsContact O-N 3.09Å; T163-G167 PolarHBondContact O-N 3.32Å
164E97.2Very high96.8Very high68 Ų6841.9 Ų41.932%0.31820%0.2SC..Hα-helixtrans-63.5-45.5174.9-73.1174.1-167.200112.1T31 Q160 G161 R162 G167 A168T31-E164 HydrophobicContact CG2-CB 4.45Å; T31-E164 HydrophobicContact CG2-CG 3.68Å; Q160-E164 WeakPolarHBondContact CG-OE1 3.39Å; Q160-E164 PolarHBondContact NE2-OE1 3.46Å; Q160-E164 WeakPolarHBondContact O-CG 3.45Å; Q160-E164 PolarHBondContact O-N 2.92Å; G161-E164 PolarHBondContact O-N 3.17Å; R162-E164 VanDerWaalsContact C-N 3.34Å; E164-G167 PolarHBondContact O-N 3.1Å; E164-A168 WeakPolarHBondContact O-CB 3.39Å; E164-A168 PolarHBondContact O-N 3.39Å
165Y97.8Very high96.5Very high39 Ų3941.5 Ų41.515%0.15320%0.198CC..Hα-helixtrans-62.7-48.1176.3172.6-127.5000112.1G161 R162 G167 A168 L169 V197 A200 K201 F204G161-Y165 WeakPolarHBondContact O-CB 3.47Å; G161-Y165 PolarHBondContact O-N 3.11Å; R162-Y165 PolarHBondContact O-N 3.03Å; Y165-G167 VanDerWaalsContact C-N 3.3Å; Y165-G167 PolarHBondContact O-N 3.28Å; Y165-A168 PolarHBondContact O-N 3.47Å; Y165-A168 VanDerWaalsContact O-N 3.17Å; Y165-L169 HydrophobicContact CD1-CD1 4.43Å; Y165-L169 HydrophobicContact CD2-CD1 4.41Å; Y165-L169 HydrophobicContact CD2-CG 4.26Å; Y165-L169 HydrophobicContact CE1-CD1 3.85Å; Y165-L169 HydrophobicContact CE2-CD1 3.81Å; Y165-L169 HydrophobicContact CE2-CD2 4.08Å; Y165-L169 HydrophobicContact CE2-CG 3.78Å; Y165-L169 PolarHBondContact O-N 2.89Å; Y165-V197 HydrophobicContact CE2-CG1 4.1Å; Y165-A200 HydrophobicContact CD2-CB 4.38Å; Y165-K201 HydrophobicContact CD2-CB 3.79Å; Y165-K201 HydrophobicContact CD2-CG 4.33Å; Y165-K201 HydrophobicContact CE1-CG 4.42Å; Y165-K201 HydrophobicContact CE2-CB 3.47Å; Y165-K201 VanDerWaalsContact CE2-CB 3.47Å; Y165-K201 HydrophobicContact CE2-CD 4.18Å; Y165-K201 HydrophobicContact CE2-CG 3.73Å; Y165-F204 AromaticContact CD1-CD1 3.67Å; Y165-F204 HydrophobicContact CD1-CD1 3.67Å; Y165-F204 HydrophobicContact CD1-CE1 4.21Å; Y165-F204 HydrophobicContact CD1-CG 4.35Å; Y165-F204 HydrophobicContact CE1-CD1 4.27Å; Y165-F204 HydrophobicContact CG-CB 4.48Å; Y165-F204 HydrophobicContact CG-CD1 4.34Å
166R96.9Very high96.2Very high24 Ų2443.4 Ų43.49%0.09121%0.212CC..Hα-helixtrans-61.6-38.1176.1-71.3-170.7172.6-161.1-0.5111.9Q34 I48 D52 R162 L169 L170Q34-R166 HydrophobicContact CG-CB 3.7Å; I48-R166 HydrophobicContact CG2-CG 3.84Å; D52-R166 IonicContact OD2-CZ 2.86Å; D52-R166 IonicContact OD2-NE 2.59Å; D52-R166 PolarHBondContact OD2-NE 2.99Å; D52-R166 VanDerWaalsContact OD2-NE 3.11Å; D52-R166 IonicContact OD2-NH2 2.73Å; D52-R166 PolarHBondContact OD2-NH2 3.31Å; R162-R166 WeakPolarHBondContact O-CB 3.19Å; R162-R166 WeakPolarHBondContact O-CG 3.35Å; R162-R166 PolarHBondContact O-N 2.9Å; R166-L169 PolarHBondContact O-N 3.06Å; R166-L170 WeakPolarHBondContact O-CB 3.37Å; R166-L170 PolarHBondContact O-N 3Å
167G96.6Very high95.8Very high0 Ų042.7 Ų42.70%021%0.211CC..Hα-helixtrans-63.3-42.2173.600000112.6T163 E164 Y165 L170 W171T163-G167 PolarHBondContact O-N 3.32Å; E164-G167 PolarHBondContact O-N 3.1Å; Y165-G167 VanDerWaalsContact C-N 3.3Å; Y165-G167 PolarHBondContact O-N 3.28Å; G167-L170 PolarHBondContact O-N 3.36Å; G167-W171 PolarHBondContact O-N 2.89Å
168A97Very high95.2Very high3 Ų343.1 Ų43.13%0.02521%0.211CC..Hα-helixtrans-64.3-39.7175.200000112.3E164 Y165 W171 M172 Q196 V197 A200E164-A168 WeakPolarHBondContact O-CB 3.39Å; E164-A168 PolarHBondContact O-N 3.39Å; Y165-A168 PolarHBondContact O-N 3.47Å; Y165-A168 VanDerWaalsContact O-N 3.17Å; A168-W171 WeakPolarHBondContact O-CB 3.39Å; A168-W171 PolarHBondContact O-N 2.9Å; A168-M172 PolarHBondContact O-N 3.44Å; A168-Q196 HydrophobicContact CB-CG 4.49Å; A168-V197 HydrophobicContact CB-CG2 3.8Å; A168-V197 VanDerWaalsContact O-CG2 3.3Å; A168-V197 WeakPolarHBondContact O-CG2 3.45Å; A168-A200 HydrophobicContact CB-CB 4.21Å
169L96.3Very high94.5Very high27 Ų2745.6 Ų45.614%0.14122%0.224CC..Hα-helixtrans-63.9-43173.8-73.9176.8000112.1I48 Y165 R166 W171 M172 K173 V197I48-L169 HydrophobicContact CD1-CB 4.34Å; I48-L169 HydrophobicContact CD1-CD1 3.53Å; I48-L169 HydrophobicContact CG1-CD1 4.17Å; Y165-L169 HydrophobicContact CD1-CD1 4.43Å; Y165-L169 HydrophobicContact CD2-CD1 4.41Å; Y165-L169 HydrophobicContact CD2-CG 4.26Å; Y165-L169 HydrophobicContact CE1-CD1 3.85Å; Y165-L169 HydrophobicContact CE2-CD1 3.81Å; Y165-L169 HydrophobicContact CE2-CD2 4.08Å; Y165-L169 HydrophobicContact CE2-CG 3.78Å; Y165-L169 PolarHBondContact O-N 2.89Å; R166-L169 PolarHBondContact O-N 3.06Å; L169-W171 VanDerWaalsContact C-N 3.28Å; L169-W171 PolarHBondContact O-N 3.02Å; L169-M172 HydrophobicContact CD2-CE 3.73Å; L169-M172 PolarHBondContact O-N 2.85Å; L169-K173 WeakPolarHBondContact O-CB 3.39Å; L169-K173 PolarHBondContact O-N 3.43Å; L169-V197 HydrophobicContact CD2-CG1 3.67Å; L169-V197 HydrophobicContact CD2-CG2 4.49Å; L169-V197 HydrophobicContact CG-CG1 4.44Å
170L94.9Very high93.7Very high42 Ų4246.8 Ų46.822%0.2223%0.231CC..Hα-helixtrans-61.2-39.6175.7-177.663.6000111.6W30 K33 I37 R166 G167 N174W30-L170 HydrophobicContact CE3-CB 4.37Å; W30-L170 HydrophobicContact CE3-CD2 3.95Å; W30-L170 HydrophobicContact CE3-CG 3.83Å; W30-L170 HydrophobicContact CZ3-CD2 4.09Å; W30-L170 HydrophobicContact CZ3-CG 3.78Å; K33-L170 HydrophobicContact CD-CD2 4.23Å; K33-L170 HydrophobicContact CG-CD2 4.26Å; I37-L170 HydrophobicContact CD1-CD2 3.64Å; R166-L170 WeakPolarHBondContact O-CB 3.37Å; R166-L170 PolarHBondContact O-N 3Å; G167-L170 PolarHBondContact O-N 3.36Å; L170-N174 PolarHBondContact O-N 2.94Å; L170-N174 VanDerWaalsContact O-N 3.13Å
171W95.8Very high92.8Very high7 Ų745.7 Ų45.73%0.02723%0.234CC..Hα-helixtrans-62.4-48.2173-173.49.3000111.7H23 K26 W30 G167 A168 L169 K173 N174 V175 V193 Q196H23-W171 AromaticContact CD2-CH2 3.55Å; H23-W171 AromaticContact NE2-CH2 3.41Å; H23-W171 WeakPolarHBondContact NE2-CH2 3.32Å; H23-W171 AromaticContact NE2-CZ3 3.8Å; K26-W171 HydrophobicContact CB-CH2 3.67Å; K26-W171 HydrophobicContact CB-CZ2 3.64Å; K26-W171 HydrophobicContact CB-CZ3 4.38Å; K26-W171 HydrophobicContact CD-CZ2 3.98Å; K26-W171 HydrophobicContact CG-CZ2 4.41Å; W30-W171 HydrophobicContact CB-CB 4.03Å; W30-W171 AromaticContact CD1-CD1 3.55Å; W30-W171 AromaticContact CD1-CD2 3.38Å; W30-W171 AromaticContact CD1-CE2 3.85Å; W30-W171 AromaticContact CD1-CE3 3.91Å; W30-W171 AromaticContact CD1-CG 3.19Å; W30-W171 AromaticContact CD1-NE1 3.92Å; W30-W171 HydrophobicContact CD2-CB 3.7Å; W30-W171 HydrophobicContact CD2-CG 4.02Å; W30-W171 AromaticContact CE2-CD1 3.49Å; W30-W171 VanDerWaalsContact CE2-CD1 3.49Å; W30-W171 AromaticContact CE2-CG 3.75Å; W30-W171 HydrophobicContact CE3-CB 4.34Å; W30-W171 HydrophobicContact CG-CB 3.51Å; W30-W171 HydrophobicContact CG-CD2 4.21Å; W30-W171 AromaticContact CG-CG 3.73Å; W30-W171 HydrophobicContact CG-CG 3.73Å; W30-W171 AromaticContact CZ2-CD1 3.95Å; W30-W171 AromaticContact NE1-CD1 3.04Å; W30-W171 AromaticContact NE1-CD2 3.68Å; W30-W171 AromaticContact NE1-CE2 3.78Å; W30-W171 AromaticContact NE1-CG 3.24Å; W30-W171 AromaticContact NE1-NE1 3.4Å; G167-W171 PolarHBondContact O-N 2.89Å; A168-W171 WeakPolarHBondContact O-CB 3.39Å; A168-W171 PolarHBondContact O-N 2.9Å; L169-W171 VanDerWaalsContact C-N 3.28Å; L169-W171 PolarHBondContact O-N 3.02Å; W171-K173 VanDerWaalsContact C-N 3.3Å; W171-K173 PolarHBondContact O-N 3.32Å; W171-N174 PolarHBondContact O-N 3.48Å; W171-V175 WeakPolarHBondContact O-CG2 3.48Å; W171-V175 PolarHBondContact O-N 2.89Å; W171-V193 HydrophobicContact CB-CG1 4.2Å; W171-V193 HydrophobicContact CD2-CB 4.49Å; W171-V193 HydrophobicContact CD2-CG1 3.89Å; W171-V193 HydrophobicContact CD2-CG2 3.74Å; W171-V193 HydrophobicContact CE3-CG1 4.22Å; W171-V193 HydrophobicContact CE3-CG2 4.25Å; W171-V193 HydrophobicContact CG-CG1 3.88Å; W171-V193 HydrophobicContact CG-CG2 4.22Å; W171-V193 HydrophobicContact CH2-CG2 4.13Å; W171-V193 HydrophobicContact CZ2-CG2 3.6Å; W171-V193 HydrophobicContact CZ3-CG2 4.42Å; W171-Q196 HydrophobicContact CZ3-CG 4.28Å
172M95.6Very high92Very high49 Ų4952.6 Ų52.624%0.24127%0.27CS..Hα-helixtrans-59.7-41.9179.2-171.8176.166.600111.7A168 L169 V175 S176 F190 V193 Q194 V197A168-M172 PolarHBondContact O-N 3.44Å; L169-M172 HydrophobicContact CD2-CE 3.73Å; L169-M172 PolarHBondContact O-N 2.85Å; M172-V175 PolarHBondContact O-N 2.76Å; M172-S176 VanDerWaalsContact O-CB 3.31Å; M172-S176 WeakPolarHBondContact O-CB 2.95Å; M172-S176 PolarHBondContact O-N 2.94Å; M172-F190 HydrophobicContact CG-CE2 3.82Å; M172-V193 HydrophobicContact CB-CG1 3.75Å; M172-V193 HydrophobicContact CG-CG1 4.33Å; M172-Q194 HydrophobicContact SD-CG 4.07Å; M172-V197 HydrophobicContact CB-CG2 3.89Å; M172-V197 HydrophobicContact CE-CG1 4.41Å; M172-V197 HydrophobicContact CE-CG2 4.46Å; M172-V197 HydrophobicContact CG-CG2 4.43Å; M172-V197 HydrophobicContact SD-CB 4.32Å; M172-V197 HydrophobicContact SD-CG1 4.38Å; M172-V197 HydrophobicContact SD-CG2 3.92Å
173K94Very high91.4Very high109 Ų10954.4 Ų54.447%0.47428%0.282SS..Hα-helixtrans-59-52.2175.5179.7174178.3172.70111.4L169 W171 V175 S176 E177L169-K173 WeakPolarHBondContact O-CB 3.39Å; L169-K173 PolarHBondContact O-N 3.43Å; W171-K173 VanDerWaalsContact C-N 3.3Å; W171-K173 PolarHBondContact O-N 3.32Å; K173-V175 VanDerWaalsContact C-N 3.33Å; K173-V175 PolarHBondContact O-N 3.2Å; K173-S176 WeakPolarHBondContact O-CB 3.46Å; K173-S176 PolarHBondContact O-N 3.14Å; K173-S176 VanDerWaalsContact O-N 3.12Å; K173-E177 WeakPolarHBondContact CE-OE1 3.04Å; K173-E177 WeakPolarHBondContact CG-OE1 3.48Å; K173-E177 WeakPolarHBondContact O-CG 3.45Å; K173-E177 PolarHBondContact O-N 2.81Å
174N93.2Very high90.7Very high42 Ų4260 Ų6023%0.22531%0.306CS..Hα-helixtrans-60.8-40.3179.3169.5-113.2000112.5W30 L170 W171 S176 E177 E178W30-N174 HydrophobicContact CH2-CB 3.5Å; W30-N174 VanDerWaalsContact CH2-CB 3.5Å; W30-N174 WeakPolarHBondContact CH2-OD1 3.33Å; W30-N174 HydrophobicContact CZ2-CB 4.02Å; W30-N174 VanDerWaalsContact CZ2-OD1 3.29Å; W30-N174 WeakPolarHBondContact CZ2-OD1 3.48Å; W30-N174 HydrophobicContact CZ3-CB 4.26Å; L170-N174 PolarHBondContact O-N 2.94Å; L170-N174 VanDerWaalsContact O-N 3.13Å; W171-N174 PolarHBondContact O-N 3.48Å; N174-S176 VanDerWaalsContact C-N 3.33Å; N174-E177 PolarHBondContact O-N 3.21Å; N174-E178 PolarHBondContact ND2-OE1 2.67Å; N174-E178 WeakPolarHBondContact O-CG 3.46Å; N174-E178 PolarHBondContact O-N 3.2Å
175V92.3Very high90Very high5 Ų565.2 Ų65.23%0.0333%0.328CS..Hα-helixtrans-69.8-32176.7177.40000112.1W171 M172 K173 L179 K189 F190 V193W171-V175 WeakPolarHBondContact O-CG2 3.48Å; W171-V175 PolarHBondContact O-N 2.89Å; M172-V175 PolarHBondContact O-N 2.76Å; K173-V175 VanDerWaalsContact C-N 3.33Å; K173-V175 PolarHBondContact O-N 3.2Å; V175-L179 PolarHBondContact O-N 2.75Å; V175-K189 HydrophobicContact CG1-CD 4.26Å; V175-K189 HydrophobicContact CG1-CG 4.26Å; V175-K189 HydrophobicContact CG2-CD 4.5Å; V175-F190 HydrophobicContact CB-CD2 4.47Å; V175-F190 HydrophobicContact CG1-CB 4.05Å; V175-F190 HydrophobicContact CG1-CD2 4.02Å; V175-V193 HydrophobicContact CG2-CG2 4.29Å
176S91.2Very high89.3Confident59 Ų5966.4 Ų66.441%0.41334%0.335SS..Hα-helixtrans-70.9-34.1176.7-170.70000112.9M172 K173 N174 E178 L179M172-S176 VanDerWaalsContact O-CB 3.31Å; M172-S176 WeakPolarHBondContact O-CB 2.95Å; M172-S176 PolarHBondContact O-N 2.94Å; K173-S176 WeakPolarHBondContact O-CB 3.46Å; K173-S176 PolarHBondContact O-N 3.14Å; K173-S176 VanDerWaalsContact O-N 3.12Å; N174-S176 VanDerWaalsContact C-N 3.33Å; S176-E178 VanDerWaalsContact C-N 3.32Å; S176-L179 WeakPolarHBondContact O-CB 3.46Å; S176-L179 PolarHBondContact O-N 3.33Å
177E90.2Very high88.9Confident137 Ų13767.7 Ų67.764%0.6434%0.343SS*.Hα-helixtrans-71.2-29.3177.6-72.3170.1-179.600111.9K173 N174K173-E177 WeakPolarHBondContact CE-OE1 3.04Å; K173-E177 WeakPolarHBondContact CG-OE1 3.48Å; K173-E177 WeakPolarHBondContact O-CG 3.45Å; K173-E177 PolarHBondContact O-N 2.81Å; N174-E177 PolarHBondContact O-N 3.21Å
178E85.4Confident88.4Confident106 Ų10669.3 Ų69.350%0.49535%0.351SS..THydrogen-bonded Turntrans-91.48.1177.6-65.6171.4-166.600113.3N174 S176 D180 Q186N174-E178 PolarHBondContact ND2-OE1 2.67Å; N174-E178 WeakPolarHBondContact O-CG 3.46Å; N174-E178 PolarHBondContact O-N 3.2Å; S176-E178 VanDerWaalsContact C-N 3.32Å; E178-D180 PolarHBondContact O-N 3.41Å; E178-Q186 PolarHBondContact O-OE1 2.86Å
179L83.5Confident87.9Confident52 Ų5273 Ų7327%0.27237%0.367SS..  trans-83.8110-169.6-172.663.8000112.5V175 S176 Q186 L187 F190V175-L179 PolarHBondContact O-N 2.75Å; S176-L179 WeakPolarHBondContact O-CB 3.46Å; S176-L179 PolarHBondContact O-N 3.33Å; L179-Q186 HydrophobicContact CD1-CB 3.87Å; L179-L187 HydrophobicContact CD1-CD2 4.14Å; L179-L187 HydrophobicContact CD1-CG 4.46Å; L179-L187 HydrophobicContact CD2-CD2 4.35Å; L179-F190 HydrophobicContact CD1-CB 4.27Å; L179-F190 HydrophobicContact CD2-CD1 4.17Å; L179-F190 HydrophobicContact CD2-CG 4.26Å
180D81.3Confident87.6Confident62 Ų6273.5 Ų73.533%0.33237%0.367SS..  trans-93.1117.5165.4171.319.5000110.1E178 D182 T183E178-D180 PolarHBondContact O-N 3.41Å; D180-D182 PolarHBondContact O-N 2.9Å; D180-D182 PolarHBondContact OD1-N 3.06Å; D180-T183 PolarHBondContact O-N 3.47Å; D180-T183 VanDerWaalsContact O-N 3.13Å; D180-T183 PolarHBondContact OD2-OG1 3.27Å
181P77.7Confident87.4Confident92 Ų9276.4 Ų76.460%0.59738%0.375SS*.THydrogen-bonded Turntrans-62.7-24.2-179.126.5-35000113.7T183 L187P181-T183 VanDerWaalsContact C-N 3.25Å; P181-T183 PolarHBondContact O-N 3.46Å; P181-L187 WeakPolarHBondContact O-CD1 3.28Å
182D81.7Confident87.1Confident149 Ų14976.6 Ų76.680%0.79738%0.378SS*.THydrogen-bonded Turntrans-79.6-12.3180-67-26.7000112.2D180 H184D180-D182 PolarHBondContact O-N 2.9Å; D180-D182 PolarHBondContact OD1-N 3.06Å; D182-H184 PolarHBondContact O-N 3.4Å
183T84Confident87Confident49 Ų4974.3 Ų74.330%0.30137%0.367SS..  trans-9791.7179.8-61.50000111.6D180 P181 K185 Q186 L187D180-T183 PolarHBondContact O-N 3.47Å; D180-T183 VanDerWaalsContact O-N 3.13Å; D180-T183 PolarHBondContact OD2-OG1 3.27Å; P181-T183 VanDerWaalsContact C-N 3.25Å; P181-T183 PolarHBondContact O-N 3.46Å; T183-K185 HydrophobicContact CG2-CB 4.46Å; T183-K185 PolarHBondContact O-N 3.33Å; T183-Q186 HydrophobicContact CG2-CB 4.21Å; T183-Q186 HydrophobicContact CG2-CG 3.7Å; T183-Q186 PolarHBondContact O-N 2.84Å; T183-L187 PolarHBondContact O-N 3.34Å
184H81.4Confident87Confident138 Ų13871.7 Ų71.764%0.63936%0.356SS*.Hα-helixtrans-50.6-35-179.2-172.367.7000114.6D182 Q186 L187 E188D182-H184 PolarHBondContact O-N 3.4Å; H184-Q186 VanDerWaalsContact C-N 3.34Å; H184-Q186 PolarHBondContact O-N 3.35Å; H184-L187 PolarHBondContact O-N 3.16Å; H184-E188 PolarHBondContact O-N 3.35Å; H184-E188 VanDerWaalsContact O-N 3.13Å
185K82.7Confident87Confident179 Ų17970.6 Ų70.678%0.77835%0.353SS*.Hα-helixtrans-65.3-34177.6-69.3-178.3180175.70113.2T183 K189T183-K185 HydrophobicContact CG2-CB 4.46Å; T183-K185 PolarHBondContact O-N 3.33Å; K185-K189 PolarHBondContact O-N 2.93Å; K185-K189 VanDerWaalsContact O-N 3.13Å
186Q84.3Confident87.1Confident63 Ų6371.8 Ų71.829%0.29436%0.358SS..Hα-helixtrans-75.2-38.4178.4-69.7179.4-4.200111.1E178 L179 T183 H184 E188 K189 F190E178-Q186 PolarHBondContact O-OE1 2.86Å; L179-Q186 HydrophobicContact CD1-CB 3.87Å; T183-Q186 HydrophobicContact CG2-CB 4.21Å; T183-Q186 HydrophobicContact CG2-CG 3.7Å; T183-Q186 PolarHBondContact O-N 2.84Å; H184-Q186 VanDerWaalsContact C-N 3.34Å; H184-Q186 PolarHBondContact O-N 3.35Å; Q186-E188 VanDerWaalsContact C-N 3.31Å; Q186-E188 PolarHBondContact O-N 3.45Å; Q186-K189 WeakPolarHBondContact O-CB 3.42Å; Q186-K189 PolarHBondContact O-N 2.98Å; Q186-F190 WeakPolarHBondContact O-CB 3.47Å; Q186-F190 PolarHBondContact O-N 3.08Å
187L87Confident87.4Confident51 Ų5169.6 Ų69.627%0.26734%0.342SS..Hα-helixtrans-58-43.3172-74.1171.2000111.8L179 P181 T183 H184 F190 R191L179-L187 HydrophobicContact CD1-CD2 4.14Å; L179-L187 HydrophobicContact CD1-CG 4.46Å; L179-L187 HydrophobicContact CD2-CD2 4.35Å; P181-L187 WeakPolarHBondContact O-CD1 3.28Å; T183-L187 PolarHBondContact O-N 3.34Å; H184-L187 PolarHBondContact O-N 3.16Å; L187-F190 PolarHBondContact O-N 2.98Å; L187-R191 WeakPolarHBondContact O-CG 3.25Å; L187-R191 PolarHBondContact O-N 3.2Å
188E86.2Confident87.7Confident35 Ų3570 Ų7016%0.16434%0.338CS..Hα-helixtrans-68.6-39.2178.4-165.359-160.700112.3H184 Q186 F190 R191 C192H184-E188 PolarHBondContact O-N 3.35Å; H184-E188 VanDerWaalsContact O-N 3.13Å; Q186-E188 VanDerWaalsContact C-N 3.31Å; Q186-E188 PolarHBondContact O-N 3.45Å; E188-F190 VanDerWaalsContact C-N 3.33Å; E188-F190 PolarHBondContact O-N 2.99Å; E188-R191 PolarHBondContact O-N 3.47Å; E188-R191 IonicContact OE2-NH1 3.33Å; E188-R191 PolarHBondContact OE2-NH1 2.99Å; E188-C192 PolarHBondContact O-N 2.92Å; E188-C192 PolarHBondContact O-SG 3.34Å
189K86.6Confident88.2Confident81 Ų8171.4 Ų71.435%0.35234%0.342SS..Hα-helixtrans-58.8-45171.1-178.3-172.5173.4-164.20111V175 K185 Q186 C192 V193V175-K189 HydrophobicContact CG1-CD 4.26Å; V175-K189 HydrophobicContact CG1-CG 4.26Å; V175-K189 HydrophobicContact CG2-CD 4.5Å; K185-K189 PolarHBondContact O-N 2.93Å; K185-K189 VanDerWaalsContact O-N 3.13Å; Q186-K189 WeakPolarHBondContact O-CB 3.42Å; Q186-K189 PolarHBondContact O-N 2.98Å; K189-C192 WeakPolarHBondContact O-CB 3.41Å; K189-C192 PolarHBondContact O-N 3.4Å; K189-V193 WeakPolarHBondContact O-CG2 3.2Å; K189-V193 PolarHBondContact O-N 3.34Å
190F90.6Very high88.8Confident36 Ų3669.4 Ų69.416%0.15833%0.333CS..Hα-helixtrans-62-43.5178.2-176.4-115000111.7M172 V175 L179 Q186 L187 E188 C192 V193 Q194M172-F190 HydrophobicContact CG-CE2 3.82Å; V175-F190 HydrophobicContact CB-CD2 4.47Å; V175-F190 HydrophobicContact CG1-CB 4.05Å; V175-F190 HydrophobicContact CG1-CD2 4.02Å; L179-F190 HydrophobicContact CD1-CB 4.27Å; L179-F190 HydrophobicContact CD2-CD1 4.17Å; L179-F190 HydrophobicContact CD2-CG 4.26Å; Q186-F190 WeakPolarHBondContact O-CB 3.47Å; Q186-F190 PolarHBondContact O-N 3.08Å; L187-F190 PolarHBondContact O-N 2.98Å; E188-F190 VanDerWaalsContact C-N 3.33Å; E188-F190 PolarHBondContact O-N 2.99Å; F190-C192 VanDerWaalsContact C-N 3.35Å; F190-C192 PolarHBondContact O-N 3.33Å; F190-V193 PolarHBondContact O-N 3.36Å; F190-Q194 HydrophobicContact CD1-CG 4.35Å; F190-Q194 HydrophobicContact CE1-CG 4.11Å; F190-Q194 HydrophobicContact CE2-CG 4.47Å; F190-Q194 HydrophobicContact CZ-CG 4.17Å; F190-Q194 WeakPolarHBondContact O-CG 3.35Å; F190-Q194 PolarHBondContact O-N 2.83Å
191R90.7Very high89.6Confident103 Ų10370.3 Ų70.339%0.38933%0.334SS..Hα-helixtrans-60-41174.2-73175.4179.8164.4-1.8113I14 L187 E188 Q194 A195I14-R191 HydrophobicContact CD1-CB 4.13Å; L187-R191 WeakPolarHBondContact O-CG 3.25Å; L187-R191 PolarHBondContact O-N 3.2Å; E188-R191 PolarHBondContact O-N 3.47Å; E188-R191 IonicContact OE2-NH1 3.33Å; E188-R191 PolarHBondContact OE2-NH1 2.99Å; R191-Q194 PolarHBondContact O-N 3.46Å; R191-A195 PolarHBondContact O-N 3.31Å
192C90.5Very high90.6Very high12 Ų1269 Ų698%0.08133%0.331CS..Hα-helixtrans-61.5-46175.2-64.70000111.4T17 E188 K189 F190 Q194 A195 Q196T17-C192 PolarHBondContact OG1-SG 3.26Å; T17-C192 VanDerWaalsContact OG1-SG 3.37Å; E188-C192 PolarHBondContact O-N 2.92Å; E188-C192 PolarHBondContact O-SG 3.34Å; K189-C192 WeakPolarHBondContact O-CB 3.41Å; K189-C192 PolarHBondContact O-N 3.4Å; F190-C192 VanDerWaalsContact C-N 3.35Å; F190-C192 PolarHBondContact O-N 3.33Å; C192-Q194 PolarHBondContact O-N 2.94Å; C192-A195 WeakPolarHBondContact O-CB 3.42Å; C192-A195 PolarHBondContact O-N 3.31Å; C192-Q196 PolarHBondContact O-N 3.1Å
193V93.1Very high91.3Very high1 Ų164.1 Ų64.11%0.00631%0.308CS..Hα-helixtrans-65.3-38.4177.8-179.90000111.7W171 M172 V175 K189 F190 A195 Q196 V197W171-V193 HydrophobicContact CB-CG1 4.2Å; W171-V193 HydrophobicContact CD2-CB 4.49Å; W171-V193 HydrophobicContact CD2-CG1 3.89Å; W171-V193 HydrophobicContact CD2-CG2 3.74Å; W171-V193 HydrophobicContact CE3-CG1 4.22Å; W171-V193 HydrophobicContact CE3-CG2 4.25Å; W171-V193 HydrophobicContact CG-CG1 3.88Å; W171-V193 HydrophobicContact CG-CG2 4.22Å; W171-V193 HydrophobicContact CH2-CG2 4.13Å; W171-V193 HydrophobicContact CZ2-CG2 3.6Å; W171-V193 HydrophobicContact CZ3-CG2 4.42Å; M172-V193 HydrophobicContact CB-CG1 3.75Å; M172-V193 HydrophobicContact CG-CG1 4.33Å; V175-V193 HydrophobicContact CG2-CG2 4.29Å; K189-V193 WeakPolarHBondContact O-CG2 3.2Å; K189-V193 PolarHBondContact O-N 3.34Å; F190-V193 PolarHBondContact O-N 3.36Å; V193-A195 VanDerWaalsContact C-N 3.32Å; V193-A195 PolarHBondContact O-N 3.24Å; V193-Q196 WeakPolarHBondContact O-CB 3.41Å; V193-Q196 PolarHBondContact O-N 3.3Å; V193-V197 HydrophobicContact CG1-CG2 4.49Å; V193-V197 WeakPolarHBondContact O-CG2 3.29Å; V193-V197 PolarHBondContact O-N 2.81Å
194Q94.2Very high92Very high54 Ų5462 Ų6225%0.25230%0.295SS..Hα-helixtrans-59.9-41.3172.9-73.8-173.9-26.800112.2M172 F190 R191 C192 Q196 V197 R198M172-Q194 HydrophobicContact SD-CG 4.07Å; F190-Q194 HydrophobicContact CD1-CG 4.35Å; F190-Q194 HydrophobicContact CE1-CG 4.11Å; F190-Q194 HydrophobicContact CE2-CG 4.47Å; F190-Q194 HydrophobicContact CZ-CG 4.17Å; F190-Q194 WeakPolarHBondContact O-CG 3.35Å; F190-Q194 PolarHBondContact O-N 2.83Å; R191-Q194 PolarHBondContact O-N 3.46Å; C192-Q194 PolarHBondContact O-N 2.94Å; Q194-Q196 VanDerWaalsContact C-N 3.34Å; Q194-V197 PolarHBondContact O-N 3.01Å; Q194-R198 WeakPolarHBondContact O-CG 3.47Å; Q194-R198 PolarHBondContact O-N 3.28Å
195A93.4Very high92.8Very high18 Ų1858.3 Ų58.315%0.14928%0.28CS..Hα-helixtrans-62.8-41.617500000111.6I14 R191 C192 V193 R198 K199I14-A195 HydrophobicContact CG2-CB 3.57Å; R191-A195 PolarHBondContact O-N 3.31Å; C192-A195 WeakPolarHBondContact O-CB 3.42Å; C192-A195 PolarHBondContact O-N 3.31Å; V193-A195 VanDerWaalsContact C-N 3.32Å; V193-A195 PolarHBondContact O-N 3.24Å; A195-R198 PolarHBondContact O-N 3.36Å; A195-K199 WeakPolarHBondContact O-CB 3.3Å; A195-K199 PolarHBondContact O-N 2.9Å
196Q94Very high93.6Very high30 Ų3057.8 Ų57.814%0.1427%0.273CS..Hα-helixtrans-62.4-42.2174.4-177.860.918.700112.3S27 A168 W171 C192 V193 Q194 K199 A200S27-Q196 PolarHBondContact OG-NE2 3.11Å; A168-Q196 HydrophobicContact CB-CG 4.49Å; W171-Q196 HydrophobicContact CZ3-CG 4.28Å; C192-Q196 PolarHBondContact O-N 3.1Å; V193-Q196 WeakPolarHBondContact O-CB 3.41Å; V193-Q196 PolarHBondContact O-N 3.3Å; Q194-Q196 VanDerWaalsContact C-N 3.34Å; Q196-K199 PolarHBondContact O-N 2.98Å; Q196-A200 WeakPolarHBondContact O-CB 3.37Å; Q196-A200 PolarHBondContact O-N 3.47Å
197V96.7Very high94.2Very high13 Ų1355.5 Ų55.58%0.07926%0.263CS..Hα-helixtrans-61.5-46.6175.4170.40000111.2Y165 A168 L169 M172 V193 Q194 K199 A200 K201Y165-V197 HydrophobicContact CE2-CG1 4.1Å; A168-V197 HydrophobicContact CB-CG2 3.8Å; A168-V197 VanDerWaalsContact O-CG2 3.3Å; A168-V197 WeakPolarHBondContact O-CG2 3.45Å; L169-V197 HydrophobicContact CD2-CG1 3.67Å; L169-V197 HydrophobicContact CD2-CG2 4.49Å; L169-V197 HydrophobicContact CG-CG1 4.44Å; M172-V197 HydrophobicContact CB-CG2 3.89Å; M172-V197 HydrophobicContact CE-CG1 4.41Å; M172-V197 HydrophobicContact CE-CG2 4.46Å; M172-V197 HydrophobicContact CG-CG2 4.43Å; M172-V197 HydrophobicContact SD-CB 4.32Å; M172-V197 HydrophobicContact SD-CG1 4.38Å; M172-V197 HydrophobicContact SD-CG2 3.92Å; V193-V197 HydrophobicContact CG1-CG2 4.49Å; V193-V197 WeakPolarHBondContact O-CG2 3.29Å; V193-V197 PolarHBondContact O-N 2.81Å; Q194-V197 PolarHBondContact O-N 3.01Å; V197-K199 VanDerWaalsContact C-N 3.33Å; V197-K199 PolarHBondContact O-N 3.36Å; V197-A200 PolarHBondContact O-N 2.86Å; V197-K201 VanDerWaalsContact O-CB 3.28Å; V197-K201 WeakPolarHBondContact O-CB 3.48Å; V197-K201 PolarHBondContact O-N 3.22Å
198R97.6Very high94.8Very high146 Ų14654.9 Ų54.955%0.55126%0.258SS*.Hα-helixtrans-60.9-42.9177.8-69.3-179-161.9102.63.5111.6Q194 A195 K201 A202Q194-R198 WeakPolarHBondContact O-CG 3.47Å; Q194-R198 PolarHBondContact O-N 3.28Å; A195-R198 PolarHBondContact O-N 3.36Å; R198-K201 PolarHBondContact O-N 3.04Å; R198-A202 WeakPolarHBondContact O-CB 3.21Å; R198-A202 PolarHBondContact O-N 3.45Å
199K95.9Very high95.3Very high135 Ų13556.9 Ų56.959%0.58727%0.272SS*.Hα-helixtrans-61.9-49176.2-177-179.2178.6-179.80111.7A195 Q196 V197 A202 S203A195-K199 WeakPolarHBondContact O-CB 3.3Å; A195-K199 PolarHBondContact O-N 2.9Å; Q196-K199 PolarHBondContact O-N 2.98Å; V197-K199 VanDerWaalsContact C-N 3.33Å; V197-K199 PolarHBondContact O-N 3.36Å; K199-A202 PolarHBondContact O-N 3.17Å; K199-S203 PolarHBondContact O-N 3.41Å; K199-S203 VanDerWaalsContact O-N 3.09Å
200A96.5Very high95.9Very high10 Ų1055.8 Ų55.88%0.08327%0.27CS..Hα-helixtrans-64.6-40.6179.200000111.7Y165 A168 Q196 V197 S203 F204Y165-A200 HydrophobicContact CD2-CB 4.38Å; A168-A200 HydrophobicContact CB-CB 4.21Å; Q196-A200 WeakPolarHBondContact O-CB 3.37Å; Q196-A200 PolarHBondContact O-N 3.47Å; V197-A200 PolarHBondContact O-N 2.86Å; A200-S203 PolarHBondContact O-N 3.46Å; A200-F204 WeakPolarHBondContact O-CB 3.27Å; A200-F204 PolarHBondContact O-N 3.35Å
201K97.3Very high96.2Very high82 Ų8254.1 Ų54.136%0.35726%0.263SS..Hα-helixtrans-61.2-50.5175.8-168.5-179.1-174.5-59.70111.8Y165 V197 R198 S203 F204 D205Y165-K201 HydrophobicContact CD2-CB 3.79Å; Y165-K201 HydrophobicContact CD2-CG 4.33Å; Y165-K201 HydrophobicContact CE1-CG 4.42Å; Y165-K201 HydrophobicContact CE2-CB 3.47Å; Y165-K201 VanDerWaalsContact CE2-CB 3.47Å; Y165-K201 HydrophobicContact CE2-CD 4.18Å; Y165-K201 HydrophobicContact CE2-CG 3.73Å; V197-K201 VanDerWaalsContact O-CB 3.28Å; V197-K201 WeakPolarHBondContact O-CB 3.48Å; V197-K201 PolarHBondContact O-N 3.22Å; R198-K201 PolarHBondContact O-N 3.04Å; K201-S203 VanDerWaalsContact C-N 3.26Å; K201-S203 PolarHBondContact O-N 3.39Å; K201-F204 PolarHBondContact O-N 3.09Å; K201-D205 IonicContact NZ-OD1 2.7Å; K201-D205 PolarHBondContact NZ-OD1 3.36Å; K201-D205 IonicContact NZ-OD2 2.6Å; K201-D205 PolarHBondContact NZ-OD2 3.29Å; K201-D205 WeakPolarHBondContact O-CB 3.47Å; K201-D205 VanDerWaalsContact O-CG 3.24Å; K201-D205 PolarHBondContact O-N 3.38Å
202A97.9Very high96.6Very high63 Ų6351.1 Ų51.152%0.52125%0.254SS..Hα-helixtrans-60.1-38.7179.200000112R198 K199 R206R198-A202 WeakPolarHBondContact O-CB 3.21Å; R198-A202 PolarHBondContact O-N 3.45Å; K199-A202 PolarHBondContact O-N 3.17Å; A202-R206 PolarHBondContact O-N 3.48Å
203S97.9Very high96.9Very high47 Ų4756.6 Ų56.633%0.32928%0.279SS..Hα-helixtrans-65.6-46.9174.5-169.70000112K199 A200 K201 R206 L207K199-S203 PolarHBondContact O-N 3.41Å; K199-S203 VanDerWaalsContact O-N 3.09Å; A200-S203 PolarHBondContact O-N 3.46Å; K201-S203 VanDerWaalsContact C-N 3.26Å; K201-S203 PolarHBondContact O-N 3.39Å; S203-R206 PolarHBondContact O-N 2.98Å; S203-L207 WeakPolarHBondContact O-CG 3.24Å; S203-L207 PolarHBondContact O-N 2.79Å; S203-L207 VanDerWaalsContact O-N 3.12Å
204F98.2Very high97.2Very high6 Ų659.4 Ų59.43%0.02629%0.291CS..Hα-helixtrans-64.7-46.1178.7170.9-118000112.3L55 M158 R162 Y165 A200 K201 R206 L207 K208L55-F204 HydrophobicContact CD2-CE2 4.01Å; L55-F204 HydrophobicContact CD2-CZ 3.9Å; M158-F204 HydrophobicContact CG-CE2 4.47Å; M158-F204 HydrophobicContact SD-CE2 3.89Å; R162-F204 VanDerWaalsContact CA-CD2 3.49Å; R162-F204 HydrophobicContact CB-CD2 3.79Å; R162-F204 HydrophobicContact CB-CE2 3.45Å; R162-F204 VanDerWaalsContact CB-CE2 3.45Å; R162-F204 HydrophobicContact CB-CZ 4.13Å; R162-F204 HydrophobicContact CG-CD2 4.33Å; R162-F204 HydrophobicContact CG-CE2 3.63Å; R162-F204 HydrophobicContact CG-CZ 3.77Å; Y165-F204 AromaticContact CD1-CD1 3.67Å; Y165-F204 HydrophobicContact CD1-CD1 3.67Å; Y165-F204 HydrophobicContact CD1-CE1 4.21Å; Y165-F204 HydrophobicContact CD1-CG 4.35Å; Y165-F204 HydrophobicContact CE1-CD1 4.27Å; Y165-F204 HydrophobicContact CG-CB 4.48Å; Y165-F204 HydrophobicContact CG-CD1 4.34Å; A200-F204 WeakPolarHBondContact O-CB 3.27Å; A200-F204 PolarHBondContact O-N 3.35Å; K201-F204 PolarHBondContact O-N 3.09Å; F204-R206 VanDerWaalsContact C-N 3.26Å; F204-R206 PolarHBondContact O-N 2.8Å; F204-L207 CarbonylContact O-C 3.57Å; F204-L207 PolarHBondContact O-N 3.11Å; F204-L207 VanDerWaalsContact O-N 3.09Å; F204-K208 HydrophobicContact CE1-CD 4.35Å; F204-K208 HydrophobicContact CE2-CB 4.25Å; F204-K208 HydrophobicContact CZ-CB 4.32Å; F204-K208 HydrophobicContact CZ-CD 4.19Å; F204-K208 WeakPolarHBondContact O-CB 3.35Å; F204-K208 PolarHBondContact O-N 3.22Å
205D97.9Very high97.4Very high60 Ų6057 Ų5732%0.32128%0.28SS..Hα-helixtrans-57.8-41179.3-69.9-21000111K201 K208 V209K201-D205 IonicContact NZ-OD1 2.7Å; K201-D205 PolarHBondContact NZ-OD1 3.36Å; K201-D205 IonicContact NZ-OD2 2.6Å; K201-D205 PolarHBondContact NZ-OD2 3.29Å; K201-D205 WeakPolarHBondContact O-CB 3.47Å; K201-D205 VanDerWaalsContact O-CG 3.24Å; K201-D205 PolarHBondContact O-N 3.38Å; D205-K208 PolarHBondContact O-N 2.94Å; D205-V209 WeakPolarHBondContact O-CG2 3.13Å; D205-V209 PolarHBondContact O-N 3.3Å; D205-V209 VanDerWaalsContact O-N 3.14Å
206R98.2Very high97.6Very high167 Ų16759 Ų5963%0.6329%0.288SS*.Hα-helixtrans-63.4-46.7174.9-172.5179.46885.60.9112A202 S203 F204 K208 D210A202-R206 PolarHBondContact O-N 3.48Å; S203-R206 PolarHBondContact O-N 2.98Å; F204-R206 VanDerWaalsContact C-N 3.26Å; F204-R206 PolarHBondContact O-N 2.8Å; R206-K208 VanDerWaalsContact C-N 3.34Å; R206-D210 WeakPolarHBondContact O-CB 3.43Å; R206-D210 PolarHBondContact O-N 3.5Å; R206-D210 VanDerWaalsContact O-N 3.12Å
207L98.4Very high97.8Very high16 Ų1663.1 Ų63.18%0.08431%0.31CS..Hα-helixtrans-67.5-33.7178.7-70.6169.5000112.7I157 M158 S203 F204 S211I157-L207 HydrophobicContact CG2-CD1 4.21Å; I157-L207 HydrophobicContact CG2-CD2 3.89Å; M158-L207 HydrophobicContact CB-CB 3.94Å; M158-L207 HydrophobicContact CG-CB 3.96Å; M158-L207 WeakPolarHBondContact CG-O 3.46Å; S203-L207 WeakPolarHBondContact O-CG 3.24Å; S203-L207 PolarHBondContact O-N 2.79Å; S203-L207 VanDerWaalsContact O-N 3.12Å; F204-L207 CarbonylContact O-C 3.57Å; F204-L207 PolarHBondContact O-N 3.11Å; F204-L207 VanDerWaalsContact O-N 3.09Å; L207-S211 VanDerWaalsContact O-CB 3.31Å; L207-S211 WeakPolarHBondContact O-CB 3.34Å; L207-S211 PolarHBondContact O-N 3.1Å; L207-S211 PolarHBondContact O-OG 2.93Å
208K98.1Very high97.8Very high37 Ų3762.9 Ų62.916%0.16131%0.309CS..Hα-helixtrans-61.5-52.5175.8174.7176.6174.8175.10110S51 L55 F204 D205 R206 S211 M212S51-K208 PolarHBondContact O-NZ 3.29Å; L55-K208 HydrophobicContact CD1-CG 4.45Å; L55-K208 HydrophobicContact CD2-CG 4.27Å; F204-K208 HydrophobicContact CE1-CD 4.35Å; F204-K208 HydrophobicContact CE2-CB 4.25Å; F204-K208 HydrophobicContact CZ-CB 4.32Å; F204-K208 HydrophobicContact CZ-CD 4.19Å; F204-K208 WeakPolarHBondContact O-CB 3.35Å; F204-K208 PolarHBondContact O-N 3.22Å; D205-K208 PolarHBondContact O-N 2.94Å; R206-K208 VanDerWaalsContact C-N 3.34Å; K208-S211 PolarHBondContact O-N 3.42Å; K208-M212 HydrophobicContact CG-SD 3.92Å; K208-M212 WeakPolarHBondContact O-CB 3.45Å; K208-M212 VanDerWaalsContact O-CG 3.24Å; K208-M212 WeakPolarHBondContact O-CG 3.46Å; K208-M212 PolarHBondContact O-N 3.1Å
209V97.8Very high97.8Very high77 Ų7756.9 Ų56.947%0.46729%0.29SS..Hα-helixtrans-61.8-46.9179174.80000111.2D205 S211 M212 Q213D205-V209 WeakPolarHBondContact O-CG2 3.13Å; D205-V209 PolarHBondContact O-N 3.3Å; D205-V209 VanDerWaalsContact O-N 3.14Å; V209-S211 PolarHBondContact O-N 3.1Å; V209-M212 PolarHBondContact O-N 3.34Å; V209-Q213 HydrophobicContact CG1-CG 4.37Å; V209-Q213 WeakPolarHBondContact O-CB 3.28Å; V209-Q213 WeakPolarHBondContact O-CG 3.44Å; V209-Q213 PolarHBondContact O-N 2.9Å
210D98.1Very high97.9Very high58 Ų5851.6 Ų51.631%0.3127%0.271SS..Hα-helixtrans-57.7-47178-178.351.1000111.9T154 R206 K214T154-D210 WeakPolarHBondContact CG2-OD2 3.12Å; R206-D210 WeakPolarHBondContact O-CB 3.43Å; R206-D210 PolarHBondContact O-N 3.5Å; R206-D210 VanDerWaalsContact O-N 3.12Å; D210-K214 WeakPolarHBondContact O-CB 3.44Å; D210-K214 WeakPolarHBondContact O-CG 3.44Å; D210-K214 PolarHBondContact O-N 2.85Å
211S98.4Very high98Very high1 Ų153.6 Ų53.61%0.00729%0.285CS..Hα-helixtrans-65.4-42.7179.1-60.90000112.5M158 L207 K208 V209 K214 V215M158-S211 WeakPolarHBondContact CB-OG 3.39Å; M158-S211 WeakPolarHBondContact CG-OG 3.46Å; L207-S211 VanDerWaalsContact O-CB 3.31Å; L207-S211 WeakPolarHBondContact O-CB 3.34Å; L207-S211 PolarHBondContact O-N 3.1Å; L207-S211 PolarHBondContact O-OG 2.93Å; K208-S211 PolarHBondContact O-N 3.42Å; V209-S211 PolarHBondContact O-N 3.1Å; S211-K214 PolarHBondContact O-N 2.85Å; S211-V215 VanDerWaalsContact O-CG2 3.3Å; S211-V215 WeakPolarHBondContact O-CG2 3.39Å; S211-V215 PolarHBondContact O-N 3.04Å
212M97.9Very high98Very high41 Ų4152.5 Ų52.520%0.20228%0.278CS..Hα-helixtrans-62.9-47179.2-71.2178.269.600111.3D54 L55 K58 K208 V209 K214 V215 D216D54-M212 HydrophobicContact CB-CE 4.33Å; L55-M212 HydrophobicContact CD1-CG 4.04Å; K58-M212 HydrophobicContact CG-CB 4.44Å; K58-M212 HydrophobicContact CG-CE 4.01Å; K58-M212 HydrophobicContact CG-CG 4.09Å; K208-M212 HydrophobicContact CG-SD 3.92Å; K208-M212 WeakPolarHBondContact O-CB 3.45Å; K208-M212 VanDerWaalsContact O-CG 3.24Å; K208-M212 WeakPolarHBondContact O-CG 3.46Å; K208-M212 PolarHBondContact O-N 3.1Å; V209-M212 PolarHBondContact O-N 3.34Å; M212-K214 PolarHBondContact O-N 3.13Å; M212-V215 PolarHBondContact O-N 2.94Å; M212-D216 PolarHBondContact O-N 3.38Å; M212-D216 VanDerWaalsContact O-N 3.08Å
213Q98.1Very high98Very high126 Ų12653.6 Ų53.659%0.58928%0.281SS*.Hα-helixtrans-63.8-40.9178.7-71.6176.6-13.900112.1V209 D216 L217V209-Q213 HydrophobicContact CG1-CG 4.37Å; V209-Q213 WeakPolarHBondContact O-CB 3.28Å; V209-Q213 WeakPolarHBondContact O-CG 3.44Å; V209-Q213 PolarHBondContact O-N 2.9Å; Q213-D216 PolarHBondContact O-N 3.43Å; Q213-L217 WeakPolarHBondContact O-CB 3.41Å; Q213-L217 PolarHBondContact O-N 2.56Å
214K98.2Very high97.9Very high60 Ų6055.7 Ų55.726%0.26129%0.289SS..Hα-helixtrans-63-40.8175.3-77.5-159.4-175-1710112.6D150 T151 T154 D210 S211 M212 D216 L217 L218D150-K214 IonicContact OD2-NZ 2.71Å; D150-K214 PolarHBondContact OD2-NZ 3.2Å; T151-K214 HydrophobicContact CG2-CB 4.29Å; T154-K214 HydrophobicContact CG2-CD 3.93Å; T154-K214 PolarHBondContact OG1-NZ 2.85Å; D210-K214 WeakPolarHBondContact O-CB 3.44Å; D210-K214 WeakPolarHBondContact O-CG 3.44Å; D210-K214 PolarHBondContact O-N 2.85Å; S211-K214 PolarHBondContact O-N 2.85Å; M212-K214 PolarHBondContact O-N 3.13Å; K214-D216 VanDerWaalsContact C-N 3.33Å; K214-L217 PolarHBondContact O-N 3.37Å; K214-L218 VanDerWaalsContact O-CB 3.28Å; K214-L218 WeakPolarHBondContact O-CB 3.41Å; K214-L218 PolarHBondContact O-N 2.65Å
215V98.5Very high97.9Very high3 Ų356.6 Ų56.62%0.01829%0.293CS..Hα-helixtrans-63.4-41176.81700000111.2K58 L61 L62 T151 V155 S211 M212 L218 A219K58-V215 HydrophobicContact CB-CG1 4.37Å; L61-V215 HydrophobicContact CB-CG1 4.49Å; L61-V215 HydrophobicContact CD2-CG1 4.16Å; L61-V215 HydrophobicContact CG-CG1 4.34Å; L62-V215 HydrophobicContact CB-CG1 4.29Å; L62-V215 HydrophobicContact CB-CG2 4.13Å; L62-V215 HydrophobicContact CD2-CG2 4.31Å; T151-V215 HydrophobicContact CG2-CG2 3.86Å; V155-V215 HydrophobicContact CG2-CG2 4.44Å; S211-V215 VanDerWaalsContact O-CG2 3.3Å; S211-V215 WeakPolarHBondContact O-CG2 3.39Å; S211-V215 PolarHBondContact O-N 3.04Å; M212-V215 PolarHBondContact O-N 2.94Å; V215-L218 WeakPolarHBondContact O-CB 3.32Å; V215-L218 PolarHBondContact O-N 2.87Å; V215-A219 PolarHBondContact O-N 3.17Å
216D97.9Very high97.9Very high61 Ų6155.2 Ų55.233%0.32629%0.286SS..Hα-helixtrans-65.8-44.4177.6-71.4-21.6000112K58 M212 Q213 K214 L218 A219 A220K58-D216 WeakPolarHBondContact CD-OD1 3.48Å; K58-D216 VanDerWaalsContact CE-OD1 3.27Å; K58-D216 WeakPolarHBondContact CE-OD1 3.35Å; K58-D216 VanDerWaalsContact CE-OD2 3.29Å; K58-D216 WeakPolarHBondContact CE-OD2 3.47Å; K58-D216 IonicContact NZ-OD1 2.63Å; K58-D216 PolarHBondContact NZ-OD1 3.05Å; K58-D216 IonicContact NZ-OD2 2.6Å; K58-D216 PolarHBondContact NZ-OD2 3.14Å; M212-D216 PolarHBondContact O-N 3.38Å; M212-D216 VanDerWaalsContact O-N 3.08Å; Q213-D216 PolarHBondContact O-N 3.43Å; K214-D216 VanDerWaalsContact C-N 3.33Å; D216-L218 VanDerWaalsContact C-N 3.31Å; D216-L218 PolarHBondContact O-N 2.89Å; D216-A219 PolarHBondContact O-N 3.48Å; D216-A220 PolarHBondContact O-N 3Å
217L97.5Very high97.8Very high117 Ų11750.5 Ų50.561%0.61328%0.278SS*.Hα-helixtrans-62.1-39.1174.1-17662.9000111.9Q213 K214 A220 S221Q213-L217 WeakPolarHBondContact O-CB 3.41Å; Q213-L217 PolarHBondContact O-N 2.56Å; K214-L217 PolarHBondContact O-N 3.37Å; L217-A220 PolarHBondContact O-N 2.88Å; L217-S221 WeakPolarHBondContact O-CB 3.47Å; L217-S221 PolarHBondContact O-N 3.39Å
218L98.3Very high97.7Very high8 Ų855.8 Ų55.84%0.04230%0.302CS..Hα-helixtrans-62.2-44.8176-177.275.3000111.2L62 V65 F143 A147 I148 T151 K214 V215 D216 S221 R222L62-L218 HydrophobicContact CD1-CD2 3.44Å; L62-L218 VanDerWaalsContact CD1-CD2 3.44Å; V65-L218 HydrophobicContact CG1-CD2 4.19Å; V65-L218 HydrophobicContact CG1-CG 4.5Å; F143-L218 HydrophobicContact CE1-CD1 3.98Å; F143-L218 HydrophobicContact CE1-CG 4.46Å; F143-L218 HydrophobicContact CE2-CD1 4.05Å; F143-L218 HydrophobicContact CZ-CD1 3.43Å; F143-L218 VanDerWaalsContact CZ-CD1 3.43Å; F143-L218 HydrophobicContact CZ-CG 3.98Å; A147-L218 HydrophobicContact CB-CD1 3.69Å; I148-L218 HydrophobicContact CG1-CD1 4.25Å; I148-L218 HydrophobicContact CG1-CD2 4.31Å; T151-L218 HydrophobicContact CG2-CD2 4.07Å; K214-L218 VanDerWaalsContact O-CB 3.28Å; K214-L218 WeakPolarHBondContact O-CB 3.41Å; K214-L218 PolarHBondContact O-N 2.65Å; V215-L218 WeakPolarHBondContact O-CB 3.32Å; V215-L218 PolarHBondContact O-N 2.87Å; D216-L218 VanDerWaalsContact C-N 3.31Å; D216-L218 PolarHBondContact O-N 2.89Å; L218-S221 PolarHBondContact O-N 3.26Å; L218-R222 PolarHBondContact O-N 2.7Å
219A97.7Very high97.6Very high20 Ų2055 Ų5517%0.16530%0.301CS..Hα-helixtrans-62.9-45.5178.100000111.7L61 V215 D216 R222 C223L61-A219 HydrophobicContact CD2-CB 4.31Å; V215-A219 PolarHBondContact O-N 3.17Å; D216-A219 PolarHBondContact O-N 3.48Å; A219-R222 WeakPolarHBondContact O-CB 3.46Å; A219-R222 PolarHBondContact O-N 2.94Å; A219-C223 PolarHBondContact O-N 2.93Å
220A97.5Very high97.5Very high23 Ų2354 Ų5419%0.1929%0.293CS..Hα-helixtrans-62.2-44.4174.600000111.9D216 L217 R222 C223 N224 F463D216-A220 PolarHBondContact O-N 3Å; L217-A220 PolarHBondContact O-N 2.88Å; A220-R222 VanDerWaalsContact C-N 3.28Å; A220-R222 PolarHBondContact O-N 2.94Å; A220-C223 PolarHBondContact O-N 3.31Å; A220-N224 PolarHBondContact O-N 2.86Å; A220-F463 HydrophobicContact CB-CE2 4.38Å
221S98.1Very high97.5Very high52 Ų5254.3 Ų54.336%0.36430%0.296SS..Hα-helixtrans-61.6-35178.3-1780000112.5L217 L218 M225L217-S221 WeakPolarHBondContact O-CB 3.47Å; L217-S221 PolarHBondContact O-N 3.39Å; L218-S221 PolarHBondContact O-N 3.26Å; S221-M225 WeakPolarHBondContact O-CB 3.46Å; S221-M225 PolarHBondContact O-N 3.44Å
222R97.8Very high97.4Very high59 Ų5955.9 Ų55.922%0.22331%0.313CS..Hα-helixtrans-61.5-49.9174.3175.6-171.7167.7-1754110.9T68 F143 L218 A219 A220 N224 M225 L226T68-R222 VanDerWaalsContact OG1-CZ 3.26Å; T68-R222 PolarHBondContact OG1-NH1 3.4Å; T68-R222 PolarHBondContact OG1-NH2 3.28Å; T68-R222 VanDerWaalsContact OG1-NH2 3.08Å; F143-R222 HydrophobicContact CE1-CB 4.09Å; F143-R222 HydrophobicContact CE2-CB 4.47Å; F143-R222 HydrophobicContact CZ-CB 3.75Å; L218-R222 PolarHBondContact O-N 2.7Å; A219-R222 WeakPolarHBondContact O-CB 3.46Å; A219-R222 PolarHBondContact O-N 2.94Å; A220-R222 VanDerWaalsContact C-N 3.28Å; A220-R222 PolarHBondContact O-N 2.94Å; R222-N224 VanDerWaalsContact C-N 3.31Å; R222-N224 PolarHBondContact O-N 3.49Å; R222-M225 PolarHBondContact O-N 3.27Å; R222-L226 HydrophobicContact CG-CD1 4.11Å; R222-L226 WeakPolarHBondContact O-CG 3.5Å; R222-L226 PolarHBondContact O-N 2.99Å
223C97.1Very high97.4Very high86 Ų8655.8 Ų55.858%0.58131%0.311SS*.Hα-helixtrans-60.4-44.3180-64.90000111.1A219 A220 L226 S227A219-C223 PolarHBondContact O-N 2.93Å; A220-C223 PolarHBondContact O-N 3.31Å; C223-L226 PolarHBondContact O-N 3.48Å; C223-S227 WeakPolarHBondContact O-CB 3.36Å; C223-S227 PolarHBondContact O-N 2.95Å; C223-S227 PolarHBondContact O-OG 3.34Å
224N96.8Very high97.4Very high92 Ų9254.6 Ų54.649%0.49231%0.305SS..Hα-helixtrans-63.7-42.2177.4-171.167.8000112.9A220 R222 L226 S227 H228A220-N224 PolarHBondContact O-N 2.86Å; R222-N224 VanDerWaalsContact C-N 3.31Å; R222-N224 PolarHBondContact O-N 3.49Å; N224-L226 VanDerWaalsContact C-N 3.35Å; N224-L226 PolarHBondContact O-N 3.43Å; N224-S227 PolarHBondContact O-OG 2.97Å; N224-H228 PolarHBondContact O-CD2 3.03Å; N224-H228 PolarHBondContact O-N 3.28Å; N224-H228 PolarHBondContact OD1-NE2 3.18Å
225M97.7Very high97.4Very high24 Ų2456 Ų5612%0.11832%0.316CS..Hα-helixtrans-59.7-47.7175.6179.5-161.67200110.9E139 V140 F143 S221 R222 H228 V229E139-M225 HydrophobicContact CB-CG 4.43Å; E139-M225 HydrophobicContact CB-SD 4.19Å; V140-M225 HydrophobicContact CG2-CE 4.02Å; F143-M225 HydrophobicContact CB-CE 4.42Å; F143-M225 HydrophobicContact CB-SD 3.66Å; F143-M225 HydrophobicContact CD2-SD 3.97Å; F143-M225 HydrophobicContact CG-CE 4.44Å; F143-M225 HydrophobicContact CG-SD 3.93Å; S221-M225 WeakPolarHBondContact O-CB 3.46Å; S221-M225 PolarHBondContact O-N 3.44Å; R222-M225 PolarHBondContact O-N 3.27Å; M225-H228 PolarHBondContact O-N 2.93Å; M225-V229 WeakPolarHBondContact O-CB 3.3Å; M225-V229 VanDerWaalsContact O-CG1 3.26Å; M225-V229 WeakPolarHBondContact O-CG1 3.31Å; M225-V229 PolarHBondContact O-N 2.75Å
226L97.5Very high97.4Very high32 Ų3257.7 Ų57.717%0.16833%0.326CS..Hα-helixtrans-67-38.9-177.9-68.2175.7000112.7L72 R222 C223 N224 H228 V229 L230L72-L226 HydrophobicContact CD2-CD2 3.99Å; R222-L226 HydrophobicContact CG-CD1 4.11Å; R222-L226 WeakPolarHBondContact O-CG 3.5Å; R222-L226 PolarHBondContact O-N 2.99Å; C223-L226 PolarHBondContact O-N 3.48Å; N224-L226 VanDerWaalsContact C-N 3.35Å; N224-L226 PolarHBondContact O-N 3.43Å; L226-H228 PolarHBondContact O-N 3.08Å; L226-V229 HydrophobicContact CD2-CG1 4.48Å; L226-L230 HydrophobicContact CB-CD1 4.31Å; L226-L230 WeakPolarHBondContact O-CB 3.34Å; L226-L230 WeakPolarHBondContact O-CG 3.46Å; L226-L230 PolarHBondContact O-N 3.02Å
227S96.5Very high97.4Very high67 Ų6757 Ų5747%0.46932%0.322SS..Hα-helixtrans-61.6-32179.666.30000112.6C223 N224 V231C223-S227 WeakPolarHBondContact O-CB 3.36Å; C223-S227 PolarHBondContact O-N 2.95Å; C223-S227 PolarHBondContact O-OG 3.34Å; N224-S227 PolarHBondContact O-OG 2.97Å; S227-V231 VanDerWaalsContact O-CG2 3.24Å; S227-V231 WeakPolarHBondContact O-CG2 3.42Å
228H95.9Very high97.4Very high127 Ų12756 Ų5659%0.58832%0.317SS*.Hα-helixtrans-89.2-45.9178.5-67.9-61.3000113N224 M225 L226 L230 V231N224-H228 PolarHBondContact O-CD2 3.03Å; N224-H228 PolarHBondContact O-N 3.28Å; N224-H228 PolarHBondContact OD1-NE2 3.18Å; M225-H228 PolarHBondContact O-N 2.93Å; L226-H228 PolarHBondContact O-N 3.08Å; H228-L230 VanDerWaalsContact C-N 3.34Å; H228-L230 PolarHBondContact O-N 3.36Å; H228-V231 PolarHBondContact O-N 3.01Å
229V95.9Very high97.4Very high20 Ų2058.7 Ų58.712%0.12133%0.333CS..Hα-helixtrans-70.8-30.8-171.176.70000112.6R135 V136 E139 M225 L226 V231R135-V229 HydrophobicContact CG-CG2 4.2Å; V136-V229 HydrophobicContact CB-CG2 4.3Å; V136-V229 HydrophobicContact CG1-CG1 4.24Å; V136-V229 HydrophobicContact CG2-CG1 4.21Å; V136-V229 HydrophobicContact CG2-CG2 3.88Å; E139-V229 HydrophobicContact CB-CG2 4.16Å; E139-V229 HydrophobicContact CG-CG2 3.89Å; M225-V229 WeakPolarHBondContact O-CB 3.3Å; M225-V229 VanDerWaalsContact O-CG1 3.26Å; M225-V229 WeakPolarHBondContact O-CG1 3.31Å; M225-V229 PolarHBondContact O-N 2.75Å; L226-V229 HydrophobicContact CD2-CG1 4.48Å; V229-V231 VanDerWaalsContact C-N 3.31Å; V229-V231 PolarHBondContact O-N 3.14Å
230L97.1Very high97.4Very high57 Ų5758.6 Ų58.630%0.29833%0.329SS..Hα-helixtrans-73.7-20.7-179.3-70.6172.7000113.5V136 L226 H228 G232 Y233 Q234V136-L230 HydrophobicContact CG1-CD2 4.1Å; V136-L230 HydrophobicContact CG2-CD2 4.2Å; L226-L230 HydrophobicContact CB-CD1 4.31Å; L226-L230 WeakPolarHBondContact O-CB 3.34Å; L226-L230 WeakPolarHBondContact O-CG 3.46Å; L226-L230 PolarHBondContact O-N 3.02Å; H228-L230 VanDerWaalsContact C-N 3.34Å; H228-L230 PolarHBondContact O-N 3.36Å; L230-G232 VanDerWaalsContact C-N 3.32Å; L230-G232 PolarHBondContact O-N 3.08Å; L230-Y233 WeakPolarHBondContact O-CB 3.46Å; L230-Y233 PolarHBondContact O-N 3.26Å; L230-Y233 VanDerWaalsContact O-N 3.17Å; L230-Q234 WeakPolarHBondContact O-CG 3.27Å; L230-Q234 PolarHBondContact O-N 2.85Å
231V98Very high97.4Very high64 Ų6461.8 Ų61.839%0.38834%0.343SS..Hα-helixtrans-59.5-43.6-177.9176.70000111.2S227 H228 V229 Y233 Q234 N235S227-V231 VanDerWaalsContact O-CG2 3.24Å; S227-V231 WeakPolarHBondContact O-CG2 3.42Å; H228-V231 PolarHBondContact O-N 3.01Å; V229-V231 VanDerWaalsContact C-N 3.31Å; V229-V231 PolarHBondContact O-N 3.14Å; V231-Y233 VanDerWaalsContact C-N 3.32Å; V231-Y233 PolarHBondContact O-N 3.16Å; V231-Q234 PolarHBondContact O-N 2.96Å; V231-N235 WeakPolarHBondContact O-CB 3.47Å; V231-N235 VanDerWaalsContact O-CG 3.31Å; V231-N235 PolarHBondContact O-N 3.2Å; V231-N235 PolarHBondContact O-ND2 3.36Å
232G96.2Very high97.3Very high35 Ų3564.6 Ų64.636%0.36135%0.35SS..Hα-helixtrans-62.4-40.1178.400000112.6L230 T236L230-G232 VanDerWaalsContact C-N 3.32Å; L230-G232 PolarHBondContact O-N 3.08Å; G232-T236 WeakPolarHBondContact O-CB 3.48Å; G232-T236 PolarHBondContact O-N 3.13Å; G232-T236 VanDerWaalsContact O-N 3.16Å; G232-T236 PolarHBondContact O-OG1 2.91Å
233Y97.9Very high97.2Very high39 Ų3964.4 Ų64.415%0.15335%0.351CS..Hα-helixtrans-65.1-48.4174.9167.4-109.7000111.7Y79 L129 L133 L230 V231 N235 T236 L237Y79-Y233 HydrophobicContact CE1-CE2 4.08Å; Y79-Y233 WeakPolarHBondContact CE1-OH 3.37Å; Y79-Y233 PolarHBondContact OH-OH 2.82Å; Y79-Y233 VanDerWaalsContact OH-OH 3.12Å; L129-Y233 HydrophobicContact CD2-CD2 4.44Å; L129-Y233 HydrophobicContact CD2-CE2 4.23Å; L133-Y233 HydrophobicContact CD1-CD2 4.41Å; L133-Y233 HydrophobicContact CD1-CE2 4.1Å; L133-Y233 HydrophobicContact CD2-CD2 3.56Å; L133-Y233 HydrophobicContact CD2-CE2 3.61Å; L133-Y233 HydrophobicContact CD2-CG 4.17Å; L133-Y233 HydrophobicContact CG-CD2 3.69Å; L133-Y233 HydrophobicContact CG-CE2 3.83Å; L230-Y233 WeakPolarHBondContact O-CB 3.46Å; L230-Y233 PolarHBondContact O-N 3.26Å; L230-Y233 VanDerWaalsContact O-N 3.17Å; V231-Y233 VanDerWaalsContact C-N 3.32Å; V231-Y233 PolarHBondContact O-N 3.16Å; Y233-N235 PolarHBondContact O-N 3.03Å; Y233-T236 PolarHBondContact O-N 3.24Å; Y233-L237 HydrophobicContact CE1-CD2 4.35Å; Y233-L237 WeakPolarHBondContact O-CB 3.5Å; Y233-L237 PolarHBondContact O-N 3.24Å
234Q97.6Very high97.1Very high101 Ų10160.9 Ų60.947%0.47233%0.327SS..Hα-helixtrans-59-47.4-179.9-71.7171.16.300112L230 V231 T236 L237 L238L230-Q234 WeakPolarHBondContact O-CG 3.27Å; L230-Q234 PolarHBondContact O-N 2.85Å; V231-Q234 PolarHBondContact O-N 2.96Å; Q234-T236 VanDerWaalsContact C-N 3.35Å; Q234-T236 PolarHBondContact O-N 3.39Å; Q234-L237 PolarHBondContact O-N 3.48Å; Q234-L238 WeakPolarHBondContact O-CG 3.45Å; Q234-L238 PolarHBondContact O-N 3.44Å
235N98.2Very high97.1Very high90 Ų9059.6 Ų59.648%0.48133%0.325SS..Hα-helixtrans-62-44.1178.9-70.2-18.8000111.5V231 Y233 L237 L238 T239V231-N235 WeakPolarHBondContact O-CB 3.47Å; V231-N235 VanDerWaalsContact O-CG 3.31Å; V231-N235 PolarHBondContact O-N 3.2Å; V231-N235 PolarHBondContact O-ND2 3.36Å; Y233-N235 PolarHBondContact O-N 3.03Å; N235-L237 VanDerWaalsContact C-N 3.32Å; N235-L237 PolarHBondContact O-N 2.89Å; N235-L238 PolarHBondContact O-N 3.25Å; N235-T239 PolarHBondContact O-N 3.48Å; N235-T239 PolarHBondContact O-OG1 3.45Å; N235-T239 VanDerWaalsContact O-OG1 3.11Å
236T98.1Very high97Very high38 Ų3865 Ų6523%0.23335%0.35CS..Hα-helixtrans-64.9-38.4178.6-52.10000111.4L129 P132 G232 Y233 Q234 T239 F240L129-T236 HydrophobicContact CD2-CG2 3.87Å; P132-T236 HydrophobicContact CG-CG2 4.18Å; G232-T236 WeakPolarHBondContact O-CB 3.48Å; G232-T236 PolarHBondContact O-N 3.13Å; G232-T236 VanDerWaalsContact O-N 3.16Å; G232-T236 PolarHBondContact O-OG1 2.91Å; Y233-T236 PolarHBondContact O-N 3.24Å; Q234-T236 VanDerWaalsContact C-N 3.35Å; Q234-T236 PolarHBondContact O-N 3.39Å; T236-T239 PolarHBondContact O-N 3.23Å; T236-F240 WeakPolarHBondContact O-CB 3.35Å; T236-F240 PolarHBondContact O-N 3.45Å
237L97.9Very high96.8Very high47 Ų4763.6 Ų63.625%0.24634%0.342CS..Hα-helixtrans-63.1-46.1175.8-176.767.7000112.1L129 Y233 Q234 N235 F240 L241L129-L237 HydrophobicContact CD1-CD1 3.91Å; L129-L237 HydrophobicContact CD2-CB 3.93Å; L129-L237 HydrophobicContact CD2-CD1 4.09Å; Y233-L237 HydrophobicContact CE1-CD2 4.35Å; Y233-L237 WeakPolarHBondContact O-CB 3.5Å; Y233-L237 PolarHBondContact O-N 3.24Å; Q234-L237 PolarHBondContact O-N 3.48Å; N235-L237 VanDerWaalsContact C-N 3.32Å; N235-L237 PolarHBondContact O-N 2.89Å; L237-F240 HydrophobicContact CD1-CD1 4.14Å; L237-F240 PolarHBondContact O-N 2.98Å; L237-L241 HydrophobicContact CD1-CD1 4.35Å; L237-L241 HydrophobicContact CG-CD1 4.12Å; L237-L241 VanDerWaalsContact O-CG 3.32Å; L237-L241 WeakPolarHBondContact O-CG 3.29Å; L237-L241 PolarHBondContact O-N 3.1Å
238L98.2Very high96.8Very high95 Ų9564.1 Ų64.150%0.49734%0.338SS..Hα-helixtrans-60.5-48.6176.5-71.1172.3000111Q234 N235 F240 L241 E242Q234-L238 WeakPolarHBondContact O-CG 3.45Å; Q234-L238 PolarHBondContact O-N 3.44Å; N235-L238 PolarHBondContact O-N 3.25Å; L238-F240 VanDerWaalsContact C-N 3.34Å; L238-F240 PolarHBondContact O-N 3.24Å; L238-L241 PolarHBondContact O-N 3.08Å; L238-E242 WeakPolarHBondContact O-CB 3.44Å; L238-E242 VanDerWaalsContact O-CG 3.3Å; L238-E242 WeakPolarHBondContact O-CG 3.33Å; L238-E242 PolarHBondContact O-N 3.4Å
239T97.4Very high96.7Very high64 Ų6461.3 Ų61.339%0.39333%0.33SS..Hα-helixtrans-60-42.4177.5-59.80000112.5N235 T236 K243N235-T239 PolarHBondContact O-N 3.48Å; N235-T239 PolarHBondContact O-OG1 3.45Å; N235-T239 VanDerWaalsContact O-OG1 3.11Å; T236-T239 PolarHBondContact O-N 3.23Å; T239-K243 HydrophobicContact CG2-CD 3.93Å; T239-K243 HydrophobicContact CG2-CG 4.39Å; T239-K243 WeakPolarHBondContact O-CB 3.42Å; T239-K243 VanDerWaalsContact O-CG 3.29Å; T239-K243 WeakPolarHBondContact O-CG 3.43Å; T239-K243 PolarHBondContact O-N 2.93Å
240F97.2Very high96.6Very high18 Ų1861.2 Ų61.28%0.07933%0.331CS..Hα-helixtrans-58.6-49.6175.1154.5-115.5000111.4Q125 R126 L129 T236 L237 L238 T244Q125-F240 HydrophobicContact CB-CD2 3.75Å; Q125-F240 HydrophobicContact CB-CE2 4.36Å; R126-F240 HydrophobicContact CB-CD2 4.32Å; R126-F240 HydrophobicContact CB-CE2 3.77Å; R126-F240 HydrophobicContact CB-CZ 3.9Å; R126-F240 HydrophobicContact CG-CZ 4.28Å; L129-F240 HydrophobicContact CD1-CD1 4.12Å; T236-F240 WeakPolarHBondContact O-CB 3.35Å; T236-F240 PolarHBondContact O-N 3.45Å; L237-F240 HydrophobicContact CD1-CD1 4.14Å; L237-F240 PolarHBondContact O-N 2.98Å; L238-F240 VanDerWaalsContact C-N 3.34Å; L238-F240 PolarHBondContact O-N 3.24Å; F240-T244 WeakPolarHBondContact CD2-OG1 3.35Å; F240-T244 HydrophobicContact CE2-CG2 4.49Å; F240-T244 WeakPolarHBondContact CE2-OG1 3.07Å; F240-T244 VanDerWaalsContact O-CB 3.25Å; F240-T244 WeakPolarHBondContact O-CB 3.36Å; F240-T244 PolarHBondContact O-N 2.97Å; F240-T244 PolarHBondContact O-OG1 2.59Å
241L97.4Very high96.3Very high90 Ų9058.9 Ų58.947%0.47132%0.319SS..Hα-helixtrans-65.5-42.5-178.2-70.6171.7000111.8L237 L238 T244 S245L237-L241 HydrophobicContact CD1-CD1 4.35Å; L237-L241 HydrophobicContact CG-CD1 4.12Å; L237-L241 VanDerWaalsContact O-CG 3.32Å; L237-L241 WeakPolarHBondContact O-CG 3.29Å; L237-L241 PolarHBondContact O-N 3.1Å; L238-L241 PolarHBondContact O-N 3.08Å; L241-T244 PolarHBondContact O-N 3.43Å; L241-S245 WeakPolarHBondContact O-CB 3.47Å; L241-S245 PolarHBondContact O-N 2.86Å
242E96.9Very high96.1Very high111 Ų11159 Ų5952%0.51933%0.327SS..Hα-helixtrans-61-52.7177.3-74.5171.4171.600111.5L238 T244 S245 H246L238-E242 WeakPolarHBondContact O-CB 3.44Å; L238-E242 VanDerWaalsContact O-CG 3.3Å; L238-E242 WeakPolarHBondContact O-CG 3.33Å; L238-E242 PolarHBondContact O-N 3.4Å; E242-T244 VanDerWaalsContact C-N 3.32Å; E242-T244 PolarHBondContact O-N 3.4Å; E242-S245 PolarHBondContact O-N 3.12Å; E242-H246 PolarHBondContact O-CD2 3.22Å; E242-H246 PolarHBondContact O-N 3Å
243K95Very high95.8Very high56 Ų5663 Ų6324%0.24334%0.336CS..Hα-helixtrans-58.9-45179-74.6178.1167.8-160.30112T239 M247 N335T239-K243 HydrophobicContact CG2-CD 3.93Å; T239-K243 HydrophobicContact CG2-CG 4.39Å; T239-K243 WeakPolarHBondContact O-CB 3.42Å; T239-K243 VanDerWaalsContact O-CG 3.29Å; T239-K243 WeakPolarHBondContact O-CG 3.43Å; T239-K243 PolarHBondContact O-N 2.93Å; K243-M247 WeakPolarHBondContact O-CB 3.5Å; K243-M247 PolarHBondContact O-N 3.32Å; K243-M247 VanDerWaalsContact O-N 3.08Å; K243-N335 VanDerWaalsContact CD-OD1 3.25Å; K243-N335 WeakPolarHBondContact CD-OD1 3.4Å
244T95.9Very high95.3Very high11 Ų1163.2 Ų63.27%0.06734%0.343CS..Hα-helixtrans-66.7-43.3-179.3-57.40000111.2S122 F240 L241 E242 M247 M248S122-T244 WeakPolarHBondContact OG-CG2 3.37Å; F240-T244 WeakPolarHBondContact CD2-OG1 3.35Å; F240-T244 HydrophobicContact CE2-CG2 4.49Å; F240-T244 WeakPolarHBondContact CE2-OG1 3.07Å; F240-T244 VanDerWaalsContact O-CB 3.25Å; F240-T244 WeakPolarHBondContact O-CB 3.36Å; F240-T244 PolarHBondContact O-N 2.97Å; F240-T244 PolarHBondContact O-OG1 2.59Å; L241-T244 PolarHBondContact O-N 3.43Å; E242-T244 VanDerWaalsContact C-N 3.32Å; E242-T244 PolarHBondContact O-N 3.4Å; T244-M247 PolarHBondContact O-N 3.33Å; T244-M248 HydrophobicContact CG2-CE 3.47Å; T244-M248 VanDerWaalsContact CG2-CE 3.47Å; T244-M248 HydrophobicContact CG2-CG 4.34Å; T244-M248 HydrophobicContact CG2-SD 3.79Å; T244-M248 WeakPolarHBondContact O-CB 3.41Å; T244-M248 VanDerWaalsContact O-CG 3.27Å; T244-M248 WeakPolarHBondContact O-CG 3.49Å; T244-M248 PolarHBondContact O-N 3.32Å
245S96.3Very high94.7Very high66 Ų6660.6 Ų60.646%0.46233%0.331SS..Hα-helixtrans-61.2-50.2176.5-177.50000111.6L241 E242 M247 M248 V249L241-S245 WeakPolarHBondContact O-CB 3.47Å; L241-S245 PolarHBondContact O-N 2.86Å; E242-S245 PolarHBondContact O-N 3.12Å; S245-M247 VanDerWaalsContact C-N 3.31Å; S245-M247 PolarHBondContact O-N 2.88Å; S245-M248 PolarHBondContact O-N 3.5Å; S245-V249 WeakPolarHBondContact O-CB 3.42Å; S245-V249 VanDerWaalsContact O-CG2 3.25Å; S245-V249 WeakPolarHBondContact O-CG2 3.36Å; S245-V249 PolarHBondContact O-N 3.47Å
246H94.9Very high93.9Very high137 Ų13766 Ų6663%0.63434%0.344SS*.Hα-helixtrans-57.2-45178.2-76.7-52.4000112.4E242 A250E242-H246 PolarHBondContact O-CD2 3.22Å; E242-H246 PolarHBondContact O-N 3Å; H246-A250 VanDerWaalsContact O-CB 3.3Å; H246-A250 WeakPolarHBondContact O-CB 3.41Å; H246-A250 PolarHBondContact O-N 3.38Å
247M94.8Very high92.9Very high2 Ų266.8 Ų66.81%0.0136%0.359CS..Hα-helixtrans-64-47.7177.8178.7176.857.800112.1A118 S121 K243 T244 S245 A250 V251 I331 F332A118-M247 HydrophobicContact CB-CE 4.33Å; A118-M247 HydrophobicContact CB-CG 4.03Å; A118-M247 HydrophobicContact CB-SD 4.17Å; A118-M247 WeakPolarHBondContact O-CE 3.24Å; S121-M247 WeakPolarHBondContact CB-SD 3.44Å; S121-M247 PolarHBondContact OG-SD 2.96Å; K243-M247 WeakPolarHBondContact O-CB 3.5Å; K243-M247 PolarHBondContact O-N 3.32Å; K243-M247 VanDerWaalsContact O-N 3.08Å; T244-M247 PolarHBondContact O-N 3.33Å; S245-M247 VanDerWaalsContact C-N 3.31Å; S245-M247 PolarHBondContact O-N 2.88Å; M247-A250 PolarHBondContact O-N 3.32Å; M247-V251 WeakPolarHBondContact O-CG2 3.47Å; M247-V251 PolarHBondContact O-N 3.27Å; M247-I331 HydrophobicContact CB-CG2 4.27Å; M247-I331 HydrophobicContact CG-CG2 4.36Å; M247-F332 HydrophobicContact CG-CE1 4.28Å; M247-F332 HydrophobicContact CG-CZ 4.45Å; M247-F332 HydrophobicContact SD-CD1 4.11Å; M247-F332 HydrophobicContact SD-CE1 3.41Å; M247-F332 WeakPolarHBondContact SD-CE1 3.47Å; M247-F332 HydrophobicContact SD-CZ 4.11Å
248M95Very high91.6Very high79 Ų7969.1 Ų69.139%0.38937%0.366SS..Hα-helixtrans-65-40.1179.8-72.5177.9175.700112L119 T244 S245 V251 A252L119-M248 HydrophobicContact CD2-CE 4.45Å; T244-M248 HydrophobicContact CG2-CE 3.47Å; T244-M248 VanDerWaalsContact CG2-CE 3.47Å; T244-M248 HydrophobicContact CG2-CG 4.34Å; T244-M248 HydrophobicContact CG2-SD 3.79Å; T244-M248 WeakPolarHBondContact O-CB 3.41Å; T244-M248 VanDerWaalsContact O-CG 3.27Å; T244-M248 WeakPolarHBondContact O-CG 3.49Å; T244-M248 PolarHBondContact O-N 3.32Å; S245-M248 PolarHBondContact O-N 3.5Å; M248-V251 PolarHBondContact O-N 3.46Å; M248-A252 WeakPolarHBondContact O-CB 3.33Å; M248-A252 PolarHBondContact O-N 2.73Å
249V95.1Very high90.3Very high67 Ų6769.3 Ų69.341%0.40636%0.364SS..Hα-helixtrans-64.3-45.4175.2170.40000110.7S245 V251 A252 E253S245-V249 WeakPolarHBondContact O-CB 3.42Å; S245-V249 VanDerWaalsContact O-CG2 3.25Å; S245-V249 WeakPolarHBondContact O-CG2 3.36Å; S245-V249 PolarHBondContact O-N 3.47Å; V249-V251 VanDerWaalsContact C-N 3.29Å; V249-V251 PolarHBondContact O-N 2.81Å; V249-A252 PolarHBondContact O-N 3.39Å; V249-A252 VanDerWaalsContact O-N 3.11Å; V249-E253 HydrophobicContact CG1-CG 4.19Å; V249-E253 WeakPolarHBondContact O-CB 3.4Å; V249-E253 WeakPolarHBondContact O-CG 3.47Å; V249-E253 PolarHBondContact O-N 2.85Å
250A92.6Very high89Confident18 Ų1869.3 Ų69.315%0.14936%0.357CS..Hα-helixtrans-59.1-40.9177.300000112H246 M247 S254 I331H246-A250 VanDerWaalsContact O-CB 3.3Å; H246-A250 WeakPolarHBondContact O-CB 3.41Å; H246-A250 PolarHBondContact O-N 3.38Å; M247-A250 PolarHBondContact O-N 3.32Å; A250-S254 WeakPolarHBondContact O-CB 3.47Å; A250-S254 PolarHBondContact O-N 3.07Å; A250-I331 HydrophobicContact CB-CD1 3.83Å
251V92.6Very high87.9Confident9 Ų974.3 Ų74.36%0.05538%0.376CS..Hα-helixtrans-63-48173.2172.20000110.8A114 V115 A118 M247 M248 V249 E253 S254 F255 L328A114-V251 HydrophobicContact CB-CG1 4.2Å; A114-V251 HydrophobicContact CB-CG2 4.5Å; V115-V251 HydrophobicContact CG2-CG1 3.97Å; A118-V251 HydrophobicContact CB-CG2 4.08Å; M247-V251 WeakPolarHBondContact O-CG2 3.47Å; M247-V251 PolarHBondContact O-N 3.27Å; M248-V251 PolarHBondContact O-N 3.46Å; V249-V251 VanDerWaalsContact C-N 3.29Å; V249-V251 PolarHBondContact O-N 2.81Å; V251-E253 PolarHBondContact O-N 3.11Å; V251-S254 PolarHBondContact O-N 2.93Å; V251-S254 PolarHBondContact O-OG 3.32Å; V251-F255 HydrophobicContact CG1-CD2 4.25Å; V251-F255 HydrophobicContact CG1-CE2 4.11Å; V251-F255 VanDerWaalsContact O-CD2 3.23Å; V251-F255 WeakPolarHBondContact O-CD2 3.42Å; V251-L328 HydrophobicContact CG2-CD2 4.33Å
252A92Very high86.8Confident67 Ų6774.1 Ų74.155%0.55437%0.373SS*.Hα-helixtrans-61.1-41.9179.600000112.8M248 V249 S254 F255 R256M248-A252 WeakPolarHBondContact O-CB 3.33Å; M248-A252 PolarHBondContact O-N 2.73Å; V249-A252 PolarHBondContact O-N 3.39Å; V249-A252 VanDerWaalsContact O-N 3.11Å; A252-S254 VanDerWaalsContact C-N 3.34Å; A252-F255 PolarHBondContact O-N 2.97Å; A252-R256 PolarHBondContact O-N 2.93Å
253E91.1Very high86.1Confident118 Ų11871.3 Ų71.355%0.55136%0.359SS*.Hα-helixtrans-67-35177.9-72.6-176.916500112.4V249 V251 F255 R256V249-E253 HydrophobicContact CG1-CG 4.19Å; V249-E253 WeakPolarHBondContact O-CB 3.4Å; V249-E253 WeakPolarHBondContact O-CG 3.47Å; V249-E253 PolarHBondContact O-N 2.85Å; V251-E253 PolarHBondContact O-N 3.11Å; E253-F255 PolarHBondContact O-N 3.24Å; E253-R256 WeakPolarHBondContact O-CB 3.47Å; E253-R256 PolarHBondContact O-N 3.38Å
254S87.4Confident85.3Confident43 Ų4371.7 Ų71.730%0.30137%0.369SS..Hα-helixtrans-65.5-22179.773.30000114.1A250 V251 A252A250-S254 WeakPolarHBondContact O-CB 3.47Å; A250-S254 PolarHBondContact O-N 3.07Å; V251-S254 PolarHBondContact O-N 2.93Å; V251-S254 PolarHBondContact O-OG 3.32Å; A252-S254 VanDerWaalsContact C-N 3.34Å
255F84.8Confident84.5Confident46 Ų4678.6 Ų78.620%0.20240%0.404CS..THydrogen-bonded Turntrans-112.619.4178.8-59-66.2000113.1K110 I111 A114 V251 A252 E253 G257 F324K110-F255 HydrophobicContact CB-CE1 4.44Å; I111-F255 HydrophobicContact CB-CE1 4.47Å; I111-F255 HydrophobicContact CB-CE2 4.4Å; I111-F255 HydrophobicContact CB-CZ 4.37Å; I111-F255 HydrophobicContact CD1-CD1 4.19Å; I111-F255 HydrophobicContact CD1-CG 4.34Å; I111-F255 HydrophobicContact CG1-CB 4.32Å; I111-F255 HydrophobicContact CG1-CD1 3.43Å; I111-F255 VanDerWaalsContact CG1-CD1 3.43Å; I111-F255 HydrophobicContact CG1-CD2 3.95Å; I111-F255 HydrophobicContact CG1-CE1 3.56Å; I111-F255 HydrophobicContact CG1-CE2 4.09Å; I111-F255 HydrophobicContact CG1-CG 3.63Å; I111-F255 HydrophobicContact CG1-CZ 3.9Å; I111-F255 HydrophobicContact CG2-CD2 4.49Å; A114-F255 HydrophobicContact CB-CE2 3.63Å; A114-F255 HydrophobicContact CB-CZ 3.86Å; V251-F255 HydrophobicContact CG1-CD2 4.25Å; V251-F255 HydrophobicContact CG1-CE2 4.11Å; V251-F255 VanDerWaalsContact O-CD2 3.23Å; V251-F255 WeakPolarHBondContact O-CD2 3.42Å; A252-F255 PolarHBondContact O-N 2.97Å; E253-F255 PolarHBondContact O-N 3.24Å; F255-G257 PolarHBondContact O-N 3.45Å; F255-F324 HydrophobicContact CZ-CZ 4.1Å
256R81.3Confident83.9Confident205 Ų20579.2 Ų79.277%0.77440%0.401SS*.  trans-69.5112177.5-171.7179.5-178.6-177.31.1110.8A252 E253 Q316A252-R256 PolarHBondContact O-N 2.93Å; E253-R256 WeakPolarHBondContact O-CB 3.47Å; E253-R256 PolarHBondContact O-N 3.38Å; R256-Q316 PolarHBondContact O-NE2 3.48Å
257G76.3Confident83.4Confident53 Ų5377 Ų7755%0.54639%0.387SS..SBendtrans149.6179.717400000113.1F255F255-G257 PolarHBondContact O-N 3.45Å
258Y72Confident82.8Confident96 Ų9683 Ų8338%0.37642%0.415SS..  trans-81.6121.8171.8176.7-110.7000109.9Y260 S273 L276 A277Y258-Y260 HydrophobicContact CE1-CD2 4.45Å; Y258-Y260 PolarHBondContact O-N 2.75Å; Y258-S273 WeakPolarHBondContact CE1-O 3.36Å; Y258-L276 HydrophobicContact CD1-CB 4.13Å; Y258-L276 HydrophobicContact CD1-CG 3.96Å; Y258-L276 HydrophobicContact CD2-CB 4.49Å; Y258-L276 HydrophobicContact CD2-CD2 3.51Å; Y258-L276 HydrophobicContact CD2-CG 3.56Å; Y258-L276 HydrophobicContact CE1-CB 3.75Å; Y258-L276 HydrophobicContact CE1-CD2 4.21Å; Y258-L276 HydrophobicContact CE1-CG 3.88Å; Y258-L276 HydrophobicContact CE2-CB 4.19Å; Y258-L276 HydrophobicContact CE2-CD2 3.09Å; Y258-L276 HydrophobicContact CE2-CG 3.54Å; Y258-L276 HydrophobicContact CG-CB 4.46Å; Y258-L276 HydrophobicContact CG-CD2 4.24Å; Y258-L276 HydrophobicContact CG-CG 3.78Å; Y258-L276 VanDerWaalsContact CZ-CD2 3.48Å; Y258-A277 HydrophobicContact CD1-CB 3.89Å; Y258-A277 HydrophobicContact CE1-CB 3.95Å
259Q70.2Confident82.3Confident99 Ų9981.9 Ų81.946%0.46341%0.411SS..  trans-77.7106171.2-179.552.441.500109.5Q107 Y261Q107-Q259 HydrophobicContact CB-CG 3.98Å; Q107-Q259 HydrophobicContact CG-CG 4.35Å; Q259-Y261 PolarHBondContact O-N 3.09Å
260Y70.3Confident81.8Confident64 Ų6479.2 Ų79.225%0.25139%0.393SS..  trans-62.1131.8173.3179.6-115.8000110.5Y258 E262 R274 A277 Y279Y258-Y260 HydrophobicContact CE1-CD2 4.45Å; Y258-Y260 PolarHBondContact O-N 2.75Å; Y260-E262 HydrophobicContact CE1-CB 4.33Å; Y260-R274 HydrophobicContact CE2-CG 3.89Å; Y260-A277 HydrophobicContact CD2-CB 3.44Å; Y260-A277 VanDerWaalsContact CD2-CB 3.44Å; Y260-A277 HydrophobicContact CE2-CB 4.28Å; Y260-A277 HydrophobicContact CG-CB 3.92Å; Y260-Y279 HydrophobicContact CD1-CE2 4.42Å; Y260-Y279 HydrophobicContact CD2-CE2 4.16Å; Y260-Y279 HydrophobicContact CE1-CE2 4.28Å; Y260-Y279 HydrophobicContact CE2-CD2 4.3Å; Y260-Y279 HydrophobicContact CE2-CE2 4.02Å; Y260-Y279 HydrophobicContact CG-CE2 4.36Å
261Y74.1Confident81.3Confident123 Ų12381.3 Ų81.348%0.48241%0.406SS..  trans-132.2127.5174.3-174.4-99.2000109.7Q259 F263 S273Q259-Y261 PolarHBondContact O-N 3.09Å; Y261-F263 AromaticContact CD1-CD1 3.72Å; Y261-F263 HydrophobicContact CD1-CD1 3.72Å; Y261-F263 AromaticContact CD1-CD2 3.98Å; Y261-F263 HydrophobicContact CD1-CD2 3.98Å; Y261-F263 AromaticContact CD1-CE1 3.75Å; Y261-F263 HydrophobicContact CD1-CE1 3.75Å; Y261-F263 HydrophobicContact CD1-CE2 4.01Å; Y261-F263 AromaticContact CD1-CG 3.84Å; Y261-F263 HydrophobicContact CD1-CG 3.84Å; Y261-F263 AromaticContact CD1-CZ 3.9Å; Y261-F263 HydrophobicContact CD1-CZ 3.9Å; Y261-F263 HydrophobicContact CE1-CB 4.48Å; Y261-F263 AromaticContact CE1-CD1 3.59Å; Y261-F263 HydrophobicContact CE1-CD1 3.59Å; Y261-F263 AromaticContact CE1-CE1 3.88Å; Y261-F263 HydrophobicContact CE1-CE1 3.88Å; Y261-F263 AromaticContact CE1-CG 3.97Å; Y261-F263 HydrophobicContact CE1-CG 3.97Å; Y261-F263 HydrophobicContact CE1-CZ 4.48Å; Y261-S273 WeakPolarHBondContact O-CB 3.42Å; Y261-S273 PolarHBondContact O-OG 3.12Å; Y261-S273 VanDerWaalsContact O-OG 3.06Å
262E75.2Confident80.8Confident86 Ų8686.3 Ų86.340%0.40243%0.428SS..  trans-94.1104.4175.1-168.3176-175.700109.9Y260 S264Y260-E262 HydrophobicContact CE1-CB 4.33Å; E262-S264 PolarHBondContact O-N 3.29Å
263F81.2Confident80.3Confident53 Ų5383.2 Ų83.223%0.23240%0.402CS..  trans-66.3108178.9-67.9-86.4000110.9Y261 L266 L269 R270Y261-F263 AromaticContact CD1-CD1 3.72Å; Y261-F263 HydrophobicContact CD1-CD1 3.72Å; Y261-F263 AromaticContact CD1-CD2 3.98Å; Y261-F263 HydrophobicContact CD1-CD2 3.98Å; Y261-F263 AromaticContact CD1-CE1 3.75Å; Y261-F263 HydrophobicContact CD1-CE1 3.75Å; Y261-F263 HydrophobicContact CD1-CE2 4.01Å; Y261-F263 AromaticContact CD1-CG 3.84Å; Y261-F263 HydrophobicContact CD1-CG 3.84Å; Y261-F263 AromaticContact CD1-CZ 3.9Å; Y261-F263 HydrophobicContact CD1-CZ 3.9Å; Y261-F263 HydrophobicContact CE1-CB 4.48Å; Y261-F263 AromaticContact CE1-CD1 3.59Å; Y261-F263 HydrophobicContact CE1-CD1 3.59Å; Y261-F263 AromaticContact CE1-CE1 3.88Å; Y261-F263 HydrophobicContact CE1-CE1 3.88Å; Y261-F263 AromaticContact CE1-CG 3.97Å; Y261-F263 HydrophobicContact CE1-CG 3.97Å; Y261-F263 HydrophobicContact CE1-CZ 4.48Å; F263-L266 HydrophobicContact CB-CB 4.07Å; F263-L266 VanDerWaalsContact CB-O 3.22Å; F263-L266 WeakPolarHBondContact CB-O 3.39Å; F263-L266 HydrophobicContact CD1-CB 3.96Å; F263-L266 HydrophobicContact CD1-CD1 4.13Å; F263-L266 HydrophobicContact CE1-CD1 4.34Å; F263-L266 HydrophobicContact CG-CB 4.24Å; F263-L269 HydrophobicContact CD1-CB 4.44Å; F263-L269 HydrophobicContact CD1-CD1 4.03Å; F263-L269 HydrophobicContact CD2-CB 3.47Å; F263-L269 VanDerWaalsContact CD2-CB 3.47Å; F263-L269 HydrophobicContact CD2-CD1 4.36Å; F263-L269 HydrophobicContact CE1-CD1 3.76Å; F263-L269 HydrophobicContact CE2-CB 3.66Å; F263-L269 HydrophobicContact CE2-CD1 4.11Å; F263-L269 HydrophobicContact CG-CB 3.9Å; F263-L269 HydrophobicContact CG-CD1 4.33Å; F263-L269 HydrophobicContact CZ-CB 4.24Å; F263-L269 HydrophobicContact CZ-CD1 3.8Å; F263-R270 HydrophobicContact CB-CG 4.44Å; F263-R270 PolarHBondContact O-NE 2.92Å
264S77.7Confident79.8Confident63 Ų6379.5 Ų79.544%0.44138%0.383SS..SBendtrans-70.6-41176.6-37.90000112E262 R270E262-S264 PolarHBondContact O-N 3.29Å; S264-R270 PolarHBondContact O-NH2 3.05Å
265I80.8Confident79.6Confident156 Ų15685.5 Ų85.580%0.840%0.404SS*.SBendtrans-92.7-50.3-177.7-58.7173.2000111.4R267I265-R267 PolarHBondContact O-N 3.47Å
266L82.5Confident79.4Confident79 Ų7988.6 Ų88.641%0.41442%0.422SS..  trans-84.364.2-177.7-58.5172.8000110.6F263 H268 L269F263-L266 HydrophobicContact CB-CB 4.07Å; F263-L266 VanDerWaalsContact CB-O 3.22Å; F263-L266 WeakPolarHBondContact CB-O 3.39Å; F263-L266 HydrophobicContact CD1-CB 3.96Å; F263-L266 HydrophobicContact CD1-CD1 4.13Å; F263-L266 HydrophobicContact CE1-CD1 4.34Å; F263-L266 HydrophobicContact CG-CB 4.24Å; L266-H268 PolarHBondContact O-N 3.29Å; L266-L269 HydrophobicContact CB-CD1 3.86Å; L266-L269 HydrophobicContact CB-CG 4.17Å; L266-L269 HydrophobicContact CD1-CD1 3.76Å; L266-L269 HydrophobicContact CG-CD1 4.44Å; L266-L269 PolarHBondContact O-N 3.14Å
267R84.4Confident79.2Confident90 Ų9080.6 Ų80.634%0.3440%0.4SS..G310 helixtrans-55.8-29.6-173.6-52.8-165.2-177.517410.8113.5I265 L269 R270 D291I265-R267 PolarHBondContact O-N 3.47Å; R267-L269 PolarHBondContact O-N 2.92Å; R267-R270 WeakPolarHBondContact O-CB 3.44Å; R267-R270 WeakPolarHBondContact O-CG 3.48Å; R267-R270 PolarHBondContact O-N 3.28Å; R267-R270 VanDerWaalsContact O-N 3.17Å; R267-D291 IonicContact CZ-OD1 2.57Å; R267-D291 IonicContact NE-OD1 3.06Å; R267-D291 IonicContact NH1-OD1 3.06Å; R267-D291 PolarHBondContact NH1-OD1 3.27Å
268H82.8Confident79.2Confident128 Ų12880 Ų8059%0.59339%0.394SS*.G310 helixtrans-67.6-12.9177.365.3-90000114.3L266 E272L266-H268 PolarHBondContact O-N 3.29Å; H268-E272 VanDerWaalsContact O-OE2 3.05Å
269L83.6Confident79.3Confident56 Ų5679.2 Ų79.229%0.29339%0.391SS..G310 helixtrans-94.1-5.8174.4-62.6178.5000113.2F263 L266 R267 S273F263-L269 HydrophobicContact CD1-CB 4.44Å; F263-L269 HydrophobicContact CD1-CD1 4.03Å; F263-L269 HydrophobicContact CD2-CB 3.47Å; F263-L269 VanDerWaalsContact CD2-CB 3.47Å; F263-L269 HydrophobicContact CD2-CD1 4.36Å; F263-L269 HydrophobicContact CE1-CD1 3.76Å; F263-L269 HydrophobicContact CE2-CB 3.66Å; F263-L269 HydrophobicContact CE2-CD1 4.11Å; F263-L269 HydrophobicContact CG-CB 3.9Å; F263-L269 HydrophobicContact CG-CD1 4.33Å; F263-L269 HydrophobicContact CZ-CB 4.24Å; F263-L269 HydrophobicContact CZ-CD1 3.8Å; L266-L269 HydrophobicContact CB-CD1 3.86Å; L266-L269 HydrophobicContact CB-CG 4.17Å; L266-L269 HydrophobicContact CD1-CD1 3.76Å; L266-L269 HydrophobicContact CG-CD1 4.44Å; L266-L269 PolarHBondContact O-N 3.14Å; R267-L269 PolarHBondContact O-N 2.92Å; L269-S273 WeakPolarHBondContact O-CB 3.44Å; L269-S273 PolarHBondContact O-N 2.88Å; L269-S273 PolarHBondContact O-OG 3.34Å
270R85.2Confident79.3Confident12 Ų1282.1 Ų82.15%0.04540%0.402CS..Hα-helixtrans-63.7-40.2179.1-65.4176.5-172.8164.9-5113.4F263 S264 R267 S273 R274 D291F263-R270 HydrophobicContact CB-CG 4.44Å; F263-R270 PolarHBondContact O-NE 2.92Å; S264-R270 PolarHBondContact O-NH2 3.05Å; R267-R270 WeakPolarHBondContact O-CB 3.44Å; R267-R270 WeakPolarHBondContact O-CG 3.48Å; R267-R270 PolarHBondContact O-N 3.28Å; R267-R270 VanDerWaalsContact O-N 3.17Å; R270-S273 PolarHBondContact O-OG 3.4Å; R270-R274 VanDerWaalsContact O-CB 3.31Å; R270-R274 WeakPolarHBondContact O-CB 3.46Å; R270-R274 WeakPolarHBondContact O-CG 3.48Å; R270-R274 PolarHBondContact O-N 3.34Å; R270-D291 IonicContact CZ-OD1 3.62Å; R270-D291 IonicContact NH1-OD1 3.22Å; R270-D291 PolarHBondContact NH1-OD1 3.31Å; R270-D291 IonicContact NH1-OD2 3.42Å
271P82Confident78.7Confident62 Ų6283.4 Ų83.440%0.40342%0.42SS..Hα-helixtrans-61.8-45.1178.1-22.434.1000111.9R274 K275P271-R274 PolarHBondContact O-N 3.31Å; P271-K275 WeakPolarHBondContact O-CB 3.45Å; P271-K275 PolarHBondContact O-N 2.8Å
272E82.2Confident77.8Confident113 Ų11383.8 Ų83.853%0.52843%0.431SS..Hα-helixtrans-66.2-43.2178.8-69.178.4-178.300111.4H268 K275 L276H268-E272 VanDerWaalsContact O-OE2 3.05Å; E272-K275 PolarHBondContact O-N 2.92Å; E272-L276 VanDerWaalsContact O-CB 3.26Å; E272-L276 WeakPolarHBondContact O-CB 3.37Å; E272-L276 PolarHBondContact O-N 3.06Å
273S81.6Confident76.8Confident2 Ų283.6 Ų83.61%0.01443%0.432CS..Hα-helixtrans-65.8-38.7177.7750000112.2Y258 Y261 L269 R270 L276 A277Y258-S273 WeakPolarHBondContact CE1-O 3.36Å; Y261-S273 WeakPolarHBondContact O-CB 3.42Å; Y261-S273 PolarHBondContact O-OG 3.12Å; Y261-S273 VanDerWaalsContact O-OG 3.06Å; L269-S273 WeakPolarHBondContact O-CB 3.44Å; L269-S273 PolarHBondContact O-N 2.88Å; L269-S273 PolarHBondContact O-OG 3.34Å; R270-S273 PolarHBondContact O-OG 3.4Å; S273-L276 PolarHBondContact O-N 3.09Å; S273-A277 WeakPolarHBondContact O-CB 3.32Å; S273-A277 PolarHBondContact O-N 3.06Å
274R81.5Confident75.5Confident40 Ų4086.7 Ų86.715%0.15145%0.447CS..Hα-helixtrans-64-48.3173.6-83.9-168.5-76.9-163.2-5.2111.9Y260 R270 P271 L276 A277 G278 Y279 S287Y260-R274 HydrophobicContact CE2-CG 3.89Å; R270-R274 VanDerWaalsContact O-CB 3.31Å; R270-R274 WeakPolarHBondContact O-CB 3.46Å; R270-R274 WeakPolarHBondContact O-CG 3.48Å; R270-R274 PolarHBondContact O-N 3.34Å; P271-R274 PolarHBondContact O-N 3.31Å; R274-L276 VanDerWaalsContact C-N 3.28Å; R274-L276 PolarHBondContact O-N 2.57Å; R274-A277 CarbonylContact O-C 3.53Å; R274-A277 PolarHBondContact O-N 2.81Å; R274-G278 PolarHBondContact O-N 2.84Å; R274-G278 VanDerWaalsContact O-N 3.17Å; R274-Y279 HydrophobicContact CB-CD2 4.14Å; R274-Y279 HydrophobicContact CB-CG 4.37Å; R274-Y279 HydrophobicContact CG-CD2 4.04Å; R274-Y279 HydrophobicContact CG-CG 4.36Å; R274-Y279 WeakPolarHBondContact O-CB 3.4Å; R274-Y279 WeakPolarHBondContact O-CD2 3.45Å; R274-Y279 PolarHBondContact O-N 3.02Å; R274-S287 PolarHBondContact NH2-OG 3.44Å; R274-S287 VanDerWaalsContact NH2-OG 3.1Å
275K82.9Confident74.2Confident170 Ų17092.2 Ų92.274%0.73946%0.464SS*.Hα-helixtrans-58.4-41.7176.7-175.1179.8-179.7-179.40111.8P271 E272 A277 G278P271-K275 WeakPolarHBondContact O-CB 3.45Å; P271-K275 PolarHBondContact O-N 2.8Å; E272-K275 PolarHBondContact O-N 2.92Å; K275-A277 VanDerWaalsContact C-N 3.33Å; K275-G278 PolarHBondContact O-N 3.2Å; K275-G278 VanDerWaalsContact O-N 3.08Å
276L79.2Confident72.9Confident111 Ų11189.5 Ų89.558%0.58145%0.45SS*.Hα-helixtrans-71.2-28.4-179.4-16657.1000112.6Y258 E272 S273 R274 G278Y258-L276 HydrophobicContact CD1-CB 4.13Å; Y258-L276 HydrophobicContact CD1-CG 3.96Å; Y258-L276 HydrophobicContact CD2-CB 4.49Å; Y258-L276 HydrophobicContact CD2-CD2 3.51Å; Y258-L276 HydrophobicContact CD2-CG 3.56Å; Y258-L276 HydrophobicContact CE1-CB 3.75Å; Y258-L276 HydrophobicContact CE1-CD2 4.21Å; Y258-L276 HydrophobicContact CE1-CG 3.88Å; Y258-L276 HydrophobicContact CE2-CB 4.19Å; Y258-L276 HydrophobicContact CE2-CD2 3.09Å; Y258-L276 HydrophobicContact CE2-CG 3.54Å; Y258-L276 HydrophobicContact CG-CB 4.46Å; Y258-L276 HydrophobicContact CG-CD2 4.24Å; Y258-L276 HydrophobicContact CG-CG 3.78Å; Y258-L276 VanDerWaalsContact CZ-CD2 3.48Å; E272-L276 VanDerWaalsContact O-CB 3.26Å; E272-L276 WeakPolarHBondContact O-CB 3.37Å; E272-L276 PolarHBondContact O-N 3.06Å; S273-L276 PolarHBondContact O-N 3.09Å; R274-L276 VanDerWaalsContact C-N 3.28Å; R274-L276 PolarHBondContact O-N 2.57Å; L276-G278 VanDerWaalsContact C-N 3.27Å
277A78.5Confident71.3Confident36 Ų3686.7 Ų86.730%0.29844%0.437SS..THydrogen-bonded Turntrans-80.1-1.516900000114.3Y258 Y260 S273 R274 K275 Y279Y258-A277 HydrophobicContact CD1-CB 3.89Å; Y258-A277 HydrophobicContact CE1-CB 3.95Å; Y260-A277 HydrophobicContact CD2-CB 3.44Å; Y260-A277 VanDerWaalsContact CD2-CB 3.44Å; Y260-A277 HydrophobicContact CE2-CB 4.28Å; Y260-A277 HydrophobicContact CG-CB 3.92Å; S273-A277 WeakPolarHBondContact O-CB 3.32Å; S273-A277 PolarHBondContact O-N 3.06Å; R274-A277 CarbonylContact O-C 3.53Å; R274-A277 PolarHBondContact O-N 2.81Å; K275-A277 VanDerWaalsContact C-N 3.33Å; A277-Y279 HydrophobicContact CB-CD2 3.77Å; A277-Y279 HydrophobicContact CB-CE2 3.82Å
278G75.9Confident69.7Low41 Ų4187.8 Ų87.842%0.42345%0.45SS..THydrogen-bonded Turntrans85.39.7178.500000115R274 K275 L276R274-G278 PolarHBondContact O-N 2.84Å; R274-G278 VanDerWaalsContact O-N 3.17Å; K275-G278 PolarHBondContact O-N 3.2Å; K275-G278 VanDerWaalsContact O-N 3.08Å; L276-G278 VanDerWaalsContact C-N 3.27Å
279Y73.6Confident68.3Low79 Ų7990.7 Ų90.731%0.3146%0.456SS..  trans-67135.4168.3-66-80.4000109.5Y260 R274 A277Y260-Y279 HydrophobicContact CD1-CE2 4.42Å; Y260-Y279 HydrophobicContact CD2-CE2 4.16Å; Y260-Y279 HydrophobicContact CE1-CE2 4.28Å; Y260-Y279 HydrophobicContact CE2-CD2 4.3Å; Y260-Y279 HydrophobicContact CE2-CE2 4.02Å; Y260-Y279 HydrophobicContact CG-CE2 4.36Å; R274-Y279 HydrophobicContact CB-CD2 4.14Å; R274-Y279 HydrophobicContact CB-CG 4.37Å; R274-Y279 HydrophobicContact CG-CD2 4.04Å; R274-Y279 HydrophobicContact CG-CG 4.36Å; R274-Y279 WeakPolarHBondContact O-CB 3.4Å; R274-Y279 WeakPolarHBondContact O-CD2 3.45Å; R274-Y279 PolarHBondContact O-N 3.02Å; A277-Y279 HydrophobicContact CB-CD2 3.77Å; A277-Y279 HydrophobicContact CB-CE2 3.82Å
280K69.7Low66.7Low160 Ų16091.6 Ų91.670%0.69646%0.461SS*.  trans-77.5150176.7-69.7-176.9179177.80108.7D282 D283K280-D282 PolarHBondContact O-N 2.96Å; K280-D283 PolarHBondContact N-OD2 3.33Å; K280-D283 WeakPolarHBondContact O-CB 3.28Å; K280-D283 PolarHBondContact O-N 3.37Å
281S58.9Low65.1Low91 Ų9193.2 Ų93.264%0.63647%0.47SS*.G310 helixtrans-55.1-21.1174.747.70000113.3D283 E284S281-D283 PolarHBondContact O-N 3.09Å; S281-E284 WeakPolarHBondContact O-CG 3.35Å; S281-E284 PolarHBondContact O-N 3.47Å
282D55.1Low63.6Low132 Ų13295.7 Ų95.771%0.70648%0.48SS*.G310 helixtrans-72.7-10.5178.3-62.8-26.9000114K280 E284K280-D282 PolarHBondContact O-N 2.96Å; D282-E284 PolarHBondContact O-N 2.71Å
283D54.4Low62Low81 Ų8196.6 Ų96.643%0.43348%0.482SS..G310 helixtrans-80.47.5174.5-61.8-38.3000112.8K280 S281 K285 D286K280-D283 PolarHBondContact N-OD2 3.33Å; K280-D283 WeakPolarHBondContact O-CB 3.28Å; K280-D283 PolarHBondContact O-N 3.37Å; S281-D283 PolarHBondContact O-N 3.09Å; D283-K285 PolarHBondContact O-N 2.97Å; D283-D286 PolarHBondContact O-N 2.87Å
284E52.6Low60.3Low118 Ų118102.5 Ų102.555%0.55151%0.508SS*.G310 helixtrans-60.6-22.1176-85.6-178.4178.900113.8S281 D282 D286 S287S281-E284 WeakPolarHBondContact O-CG 3.35Å; S281-E284 PolarHBondContact O-N 3.47Å; D282-E284 PolarHBondContact O-N 2.71Å; E284-D286 PolarHBondContact O-N 2.8Å; E284-D286 VanDerWaalsContact O-N 3.13Å; E284-S287 WeakPolarHBondContact O-CB 3.42Å; E284-S287 PolarHBondContact O-N 3.18Å
285K52.1Low58.4Low180 Ų180106.7 Ų106.778%0.78353%0.533SS*.G310 helixtrans-63.1-20.3-177.9-71.7-174.8-179.8174.90114.6D283D283-K285 PolarHBondContact O-N 2.97Å
286D52.2Low56.8Low98 Ų98106.7 Ų106.752%0.52454%0.536SS..G310 helixtrans-89.9-12.4172.7-89.9-28.8000113.4D283 E284 R289D283-D286 PolarHBondContact O-N 2.87Å; E284-D286 PolarHBondContact O-N 2.8Å; E284-D286 VanDerWaalsContact O-N 3.13Å; D286-R289 PolarHBondContact O-N 3.01Å; D286-R289 IonicContact OD1-NH1 3.83Å
287S50Low54.9Low20 Ų20106.7 Ų106.714%0.1454%0.54CS..Hα-helixtrans-65.2-41.7177.8-159.40000112R274 E284 R289 L290 D291R274-S287 PolarHBondContact NH2-OG 3.44Å; R274-S287 VanDerWaalsContact NH2-OG 3.1Å; E284-S287 WeakPolarHBondContact O-CB 3.42Å; E284-S287 PolarHBondContact O-N 3.18Å; S287-R289 PolarHBondContact O-N 3.21Å; S287-L290 PolarHBondContact O-N 3.21Å; S287-D291 PolarHBondContact O-N 3.42Å; S287-D291 VanDerWaalsContact O-N 3.13Å
288D50.6Low52.7Low114 Ų114113.5 Ų113.561%0.6157%0.566SS**Hα-helixtrans-66.3-24.4-179.8-71.3-19.1000112.6N292D288-N292 PolarHBondContact O-N 2.63Å; D288-N292 PolarHBondContact O-ND2 3.1Å
289R52.8Low50.6Low188 Ų188119.6 Ų119.671%0.70959%0.588SS**Hα-helixtrans-74.9-30.6176.2-72.7-179.2169.6-177.4-3.9112.5D286 S287D286-R289 PolarHBondContact O-N 3.01Å; D286-R289 IonicContact OD1-NH1 3.83Å; S287-R289 PolarHBondContact O-N 3.21Å
290L50.9Low48.4Very low75 Ų75119 Ų11939%0.39361%0.605SS.*Hα-helixtrans-84.2-36.9178.5-73171.6000112.7S287 N292 K293 F294S287-L290 PolarHBondContact O-N 3.21Å; L290-N292 VanDerWaalsContact C-N 3.26Å; L290-N292 PolarHBondContact O-N 3.38Å; L290-K293 PolarHBondContact O-N 3.4Å; L290-F294 PolarHBondContact O-N 2.88Å
291D51.1Low46.5Very low46 Ų46119 Ų11925%0.24661%0.613CS.*Hα-helixtrans-65.3-30.9176.1-83.6-28.5000112.2R267 R270 S287R267-D291 IonicContact CZ-OD1 2.57Å; R267-D291 IonicContact NE-OD1 3.06Å; R267-D291 IonicContact NH1-OD1 3.06Å; R267-D291 PolarHBondContact NH1-OD1 3.27Å; R270-D291 IonicContact CZ-OD1 3.62Å; R270-D291 IonicContact NH1-OD1 3.22Å; R270-D291 PolarHBondContact NH1-OD1 3.31Å; R270-D291 IonicContact NH1-OD2 3.42Å; S287-D291 PolarHBondContact O-N 3.42Å; S287-D291 VanDerWaalsContact O-N 3.13Å
292N49.1Very low45.3Very low115 Ų115121 Ų12162%0.61563%0.627SS**Hα-helixtrans-71.6-25.2172-80.7-30.5000113.9D288 L290D288-N292 PolarHBondContact O-N 2.63Å; D288-N292 PolarHBondContact O-ND2 3.1Å; L290-N292 VanDerWaalsContact C-N 3.26Å; L290-N292 PolarHBondContact O-N 3.38Å
293K50.4Low44Very low131 Ų131118.4 Ų118.457%0.5762%0.624SS**Hα-helixtrans-80.8-34.8-178.8-143.1174.2-174.2-1790112.1L290 Q296L290-K293 PolarHBondContact O-N 3.4Å; K293-Q296 PolarHBondContact O-N 2.87Å
294F45.5Very low42.9Very low127 Ų127121.6 Ų121.656%0.55764%0.64SS**Hα-helixtrans-74.1-26175.8-97.3-81.6000113.9L290 Q296L290-F294 PolarHBondContact O-N 2.88Å; F294-Q296 PolarHBondContact O-N 3.38Å
295N41.6Very low41.9Very low128 Ų128123 Ų12368%0.68465%0.648SS**THydrogen-bonded Turntrans-75.2-5.8173.1-74.4-14.8000113
296Q47.9Very low40.8Very low170 Ų170121.2 Ų121.279%0.79465%0.647SS**THydrogen-bonded Turntrans-127.618.6-171.9-145.4175.652.300115.6K293 F294K293-Q296 PolarHBondContact O-N 2.87Å; F294-Q296 PolarHBondContact O-N 3.38Å
297V39.2Very low39.9Very low111 Ų111120.9 Ų120.967%0.67365%0.653SS**  trans-119.174.9172.6-170.50000110.4
298E33.4Very low38.8Very low178 Ų178126.6 Ų126.683%0.83268%0.681SS**  trans-69.5129.7141.7-87.3-17914500108.1
299L32.5Very low38Very low170 Ų170128.4 Ų128.489%0.8969%0.691SS**SBendtrans39.7101.3152.6-73.4131.7000118.1
300G27.5Very low37Very low65 Ų65125.8 Ų125.867%0.6769%0.691SS**  trans166.8102.5158.900000114.8
301D28.4Very low36.1Very low162 Ų162128.9 Ų128.987%0.86671%0.708SS**  trans56.1114.9153.7-70.1-19000121.5A303D301-A303 PolarHBondContact O-N 2.92Å; D301-A303 VanDerWaalsContact O-N 3.08Å
302S33.3Very low35Very low132 Ų132135.6 Ų135.692%0.92374%0.737SS**  trans-26.699.8148.2-62.40000114.7
303A28.9Very low33.9Very low78 Ų78132.9 Ų132.965%0.64574%0.737SS**  trans-154.6107.7154.400000111.7D301D301-A303 PolarHBondContact O-N 2.92Å; D301-A303 VanDerWaalsContact O-N 3.08Å
304I31.1Very low33Very low148 Ų148133.4 Ų133.476%0.75974%0.744SS**  trans60.283136.3-46.2169.1000115.3N306I304-N306 HydrophobicContact CG2-CB 4.3Å
305M31.4Very low32.2Very low147 Ų147136.7 Ų136.772%0.72476%0.761SS**  trans-99.470.4151.7-74.3-73.7-170.700108.5S307M305-S307 VanDerWaalsContact C-N 3.27Å
306N29.2Very low31.8Very low142 Ų142136.9 Ų136.976%0.75976%0.758SS**  trans-89.380.1149.9-77.7-15.6000105.2I304 D308I304-N306 HydrophobicContact CG2-CB 4.3Å; N306-D308 PolarHBondContact O-N 2.9Å
307S32.5Very low31.2Very low92 Ų92135.8 Ų135.864%0.64376%0.763SS**  trans-89.1102.6170.5-58.80000106.3M305 D309M305-S307 VanDerWaalsContact C-N 3.27Å; S307-D309 PolarHBondContact O-N 3.38Å
308D28.1Very low31.3Very low139 Ų139138.8 Ų138.874%0.74377%0.767SS**  trans-40.3124.6175.6-71.8-45.2000112.3N306 N310N306-D308 PolarHBondContact O-N 2.9Å; D308-N310 VanDerWaalsContact C-N 3.26Å; D308-N310 PolarHBondContact O-N 3.34Å
309D33.8Very low31.7Very low152 Ų152134.3 Ų134.381%0.81375%0.748SS**SBendtrans-58.686.1163.5-95.2-32.6000109S307S307-D309 PolarHBondContact O-N 3.38Å
310N30.7Very low32.6Very low134 Ų134130 Ų13072%0.71773%0.729SS**  trans-142.626.5173.9-89.3-36.8000113.8D308 H312D308-N310 VanDerWaalsContact C-N 3.26Å; D308-N310 PolarHBondContact O-N 3.34Å; N310-H312 PolarHBondContact O-N 3.11Å
311N31.8Very low33.7Very low140 Ų140134.4 Ų134.475%0.74973%0.732SS**  trans-91.799.9170.2-148.73.6000111.1G313N311-G313 PolarHBondContact O-N 2.6Å
312H28.2Very low35Very low186 Ų186132.9 Ų132.986%0.86172%0.72SS**  trans-57.5110171.6-870.3000111.6N310N310-H312 PolarHBondContact O-N 3.11Å
313G26.7Very low36.4Very low58 Ų58131.3 Ų131.360%0.59870%0.698SS**  trans-153.295.2171.800000110.9N311N311-G313 PolarHBondContact O-N 2.6Å
314I31.1Very low37.8Very low143 Ų143130.2 Ų130.273%0.73368%0.679SS**  trans65.3109.8167.2-52.1177.4000115.2Q316I314-Q316 VanDerWaalsContact C-N 3.31Å; I314-Q316 PolarHBondContact O-N 3.44Å
315H28.8Very low39.3Very low195 Ų195124.4 Ų124.490%0.90366%0.655SS**  trans-53.682.8169.9-68.1-88000112.6
316Q34.6Very low41.2Very low132 Ų132122.6 Ų122.662%0.61764%0.643SS**  trans-86.2122.7138.7-138.3169.66.200104.7R256 I314 K318R256-Q316 PolarHBondContact O-NE2 3.48Å; I314-Q316 VanDerWaalsContact C-N 3.31Å; I314-Q316 PolarHBondContact O-N 3.44Å; Q316-K318 PolarHBondContact O-N 2.99Å
317T34.9Very low43Very low147 Ų147121.4 Ų121.490%0.90263%0.628SS**  trans-55.983.4-179.2-3.20000109.4L319T317-L319 PolarHBondContact O-N 3.44Å; T317-L319 VanDerWaalsContact O-N 3.14Å
318K40.9Very low44.5Very low175 Ų175117.5 Ų117.576%0.76160%0.6SS**  trans-73.9103.2177.2-131.2179.7-176.4-175.70104.4Q316 T320Q316-K318 PolarHBondContact O-N 2.99Å; K318-T320 PolarHBondContact O-N 3.48Å
319L41.2Very low46.6Very low83 Ų83114.3 Ų114.344%0.43558%0.583SS.*  trans-51.1130.2163.6-72.2166.3000106.9T317 E323T317-L319 PolarHBondContact O-N 3.44Å; T317-L319 VanDerWaalsContact O-N 3.14Å; L319-E323 HydrophobicContact CD2-CB 4.45Å
320T50.9Low48.5Very low79 Ų79112.7 Ų112.749%0.48557%0.571SS.*  trans-64.2154.1179.2560000110K318 E322 E323 F324K318-T320 PolarHBondContact O-N 3.48Å; T320-E322 PolarHBondContact O-N 2.82Å; T320-E322 VanDerWaalsContact O-N 3.16Å; T320-E323 PolarHBondContact N-OE2 3.44Å; T320-E323 PolarHBondContact O-N 3.12Å; T320-E323 WeakPolarHBondContact OG1-CG 3.41Å; T320-E323 PolarHBondContact OG1-OE2 3.47Å; T320-F324 PolarHBondContact O-N 3.47Å
321E50.8Low50.3Low158 Ų158108 Ų10874%0.73855%0.545SS*.Hα-helixtrans-51.6-39-177.2-179.2171.4-169.200113G325E321-G325 PolarHBondContact O-N 2.86Å
322E56.9Low52Low131 Ų131102.2 Ų102.261%0.61251%0.513SS*.Hα-helixtrans-69-40.9174.5-77.4-166.8-166.800113.2T320 F324 K326T320-E322 PolarHBondContact O-N 2.82Å; T320-E322 VanDerWaalsContact O-N 3.16Å; E322-F324 VanDerWaalsContact C-N 3.31Å; E322-K326 WeakPolarHBondContact O-CB 3.39Å; E322-K326 WeakPolarHBondContact O-CD 3.33Å; E322-K326 WeakPolarHBondContact O-CG 3.36Å; E322-K326 PolarHBondContact O-N 3.35Å; E322-K326 IonicContact OE2-NZ 3.94Å; E322-K326 PolarHBondContact OE2-NZ 3.05Å
323E61.7Low53.6Low99 Ų9999.3 Ų99.346%0.46350%0.503SS..Hα-helixtrans-67.2-35177.2-71.3167.6152.800111.1L319 T320 R327L319-E323 HydrophobicContact CD2-CB 4.45Å; T320-E323 PolarHBondContact N-OE2 3.44Å; T320-E323 PolarHBondContact O-N 3.12Å; T320-E323 WeakPolarHBondContact OG1-CG 3.41Å; T320-E323 PolarHBondContact OG1-OE2 3.47Å; E323-R327 WeakPolarHBondContact O-CB 3.32Å; E323-R327 PolarHBondContact O-N 2.95Å
324F58.4Low55Low54 Ų54104.2 Ų104.224%0.23751%0.511CS..Hα-helixtrans-69.5-48.8174.7175.3-105.5000112.1A114 F255 T320 E322 K326 R327 L328A114-F324 HydrophobicContact CB-CZ 4.27Å; F255-F324 HydrophobicContact CZ-CZ 4.1Å; T320-F324 PolarHBondContact O-N 3.47Å; E322-F324 VanDerWaalsContact C-N 3.31Å; F324-K326 VanDerWaalsContact C-N 3.33Å; F324-K326 PolarHBondContact O-N 3.28Å; F324-R327 PolarHBondContact O-N 2.96Å; F324-L328 HydrophobicContact CD1-CD1 4.25Å; F324-L328 HydrophobicContact CD2-CD1 4.5Å; F324-L328 HydrophobicContact CD2-CG 4.38Å; F324-L328 HydrophobicContact CE1-CD1 3.5Å; F324-L328 HydrophobicContact CE1-CG 4.33Å; F324-L328 HydrophobicContact CE2-CD1 3.78Å; F324-L328 HydrophobicContact CE2-CG 3.92Å; F324-L328 HydrophobicContact CZ-CD1 3.25Å; F324-L328 HydrophobicContact CZ-CG 3.93Å; F324-L328 WeakPolarHBondContact O-CB 3.44Å; F324-L328 PolarHBondContact O-N 3.13Å
325G62.4Low56Low26 Ų2698 Ų9827%0.26848%0.479SS..Hα-helixtrans-57.1-47.4174.200000111.1E321 D329E321-G325 PolarHBondContact O-N 2.86Å; G325-D329 WeakPolarHBondContact O-CB 3.34Å; G325-D329 PolarHBondContact O-N 3.1Å
326K71.8Confident57Low109 Ų10993.7 Ų93.747%0.47446%0.463SS..Hα-helixtrans-63.8-43.6175.9-72.2167-167.5161.70112.4E322 F324 D329 E330E322-K326 WeakPolarHBondContact O-CB 3.39Å; E322-K326 WeakPolarHBondContact O-CD 3.33Å; E322-K326 WeakPolarHBondContact O-CG 3.36Å; E322-K326 PolarHBondContact O-N 3.35Å; E322-K326 IonicContact OE2-NZ 3.94Å; E322-K326 PolarHBondContact OE2-NZ 3.05Å; F324-K326 VanDerWaalsContact C-N 3.33Å; F324-K326 PolarHBondContact O-N 3.28Å; K326-D329 CarbonylContact O-C 3.57Å; K326-D329 PolarHBondContact O-N 3.41Å; K326-E330 VanDerWaalsContact O-CB 3.23Å; K326-E330 WeakPolarHBondContact O-CB 3.33Å; K326-E330 WeakPolarHBondContact O-CG 3.41Å; K326-E330 PolarHBondContact O-N 3.03Å
327R67.2Low57.4Low118 Ų11890.6 Ų90.645%0.44547%0.466SS..Hα-helixtrans-68-40.3179.6-173.3172.4178.5-170.6-4.4112.1E323 F324 I331E323-R327 WeakPolarHBondContact O-CB 3.32Å; E323-R327 PolarHBondContact O-N 2.95Å; F324-R327 PolarHBondContact O-N 2.96Å; R327-I331 HydrophobicContact CG-CD1 4.21Å; R327-I331 WeakPolarHBondContact O-CB 3.41Å; R327-I331 WeakPolarHBondContact O-CD1 3.28Å; R327-I331 WeakPolarHBondContact O-CG1 3.42Å; R327-I331 PolarHBondContact O-N 2.88Å
328L64.3Low57.6Low9 Ų988.5 Ų88.55%0.04745%0.45CS..Hα-helixtrans-65-48.6171.7-81.9-171.5000110.5A114 V251 F324 E330 I331 F332A114-L328 HydrophobicContact CB-CD1 4.37Å; V251-L328 HydrophobicContact CG2-CD2 4.33Å; F324-L328 HydrophobicContact CD1-CD1 4.25Å; F324-L328 HydrophobicContact CD2-CD1 4.5Å; F324-L328 HydrophobicContact CD2-CG 4.38Å; F324-L328 HydrophobicContact CE1-CD1 3.5Å; F324-L328 HydrophobicContact CE1-CG 4.33Å; F324-L328 HydrophobicContact CE2-CD1 3.78Å; F324-L328 HydrophobicContact CE2-CG 3.92Å; F324-L328 HydrophobicContact CZ-CD1 3.25Å; F324-L328 HydrophobicContact CZ-CG 3.93Å; F324-L328 WeakPolarHBondContact O-CB 3.44Å; F324-L328 PolarHBondContact O-N 3.13Å; L328-E330 VanDerWaalsContact C-N 3.3Å; L328-E330 PolarHBondContact O-N 3.26Å; L328-I331 CarbonylContact O-C 3.54Å; L328-I331 WeakPolarHBondContact O-CB 3.45Å; L328-I331 PolarHBondContact O-N 3.39Å; L328-I331 VanDerWaalsContact O-N 3.13Å; L328-F332 HydrophobicContact CB-CD2 4.01Å; L328-F332 HydrophobicContact CB-CE2 3.88Å; L328-F332 HydrophobicContact CD1-CE2 4.29Å; L328-F332 HydrophobicContact CD2-CE2 3.9Å; L328-F332 HydrophobicContact CG-CE2 4.25Å; L328-F332 WeakPolarHBondContact O-CB 3.47Å; L328-F332 WeakPolarHBondContact O-CD2 3.3Å; L328-F332 WeakPolarHBondContact O-CG 3.43Å; L328-F332 PolarHBondContact O-N 3.5Å
329D72.5Confident57.3Low73 Ų7387 Ų8739%0.3945%0.45SS..Hα-helixtrans-63.7-35.9179.9-71.2-18000111G325 K326 F332 L333G325-D329 WeakPolarHBondContact O-CB 3.34Å; G325-D329 PolarHBondContact O-N 3.1Å; K326-D329 CarbonylContact O-C 3.57Å; K326-D329 PolarHBondContact O-N 3.41Å; D329-F332 CarbonylContact O-C 3.56Å; D329-F332 PolarHBondContact O-N 3.43Å; D329-L333 HydrophobicContact CB-CD1 4.26Å; D329-L333 WeakPolarHBondContact O-CA 3.39Å; D329-L333 WeakPolarHBondContact O-CB 3.32Å; D329-L333 VanDerWaalsContact O-CD1 3.23Å; D329-L333 WeakPolarHBondContact O-CD1 3.26Å; D329-L333 WeakPolarHBondContact O-CG 3.09Å; D329-L333 PolarHBondContact O-N 2.99Å
330E73Confident56.9Low117 Ų11789.5 Ų89.555%0.54746%0.458SS..Hα-helixtrans-60-48.9170.1-79.6167.5-166.600110.9K326 L328 F332 L333 E334K326-E330 VanDerWaalsContact O-CB 3.23Å; K326-E330 WeakPolarHBondContact O-CB 3.33Å; K326-E330 WeakPolarHBondContact O-CG 3.41Å; K326-E330 PolarHBondContact O-N 3.03Å; L328-E330 VanDerWaalsContact C-N 3.3Å; L328-E330 PolarHBondContact O-N 3.26Å; E330-F332 VanDerWaalsContact C-N 3.31Å; E330-F332 PolarHBondContact O-N 3.31Å; E330-L333 PolarHBondContact O-N 3.47Å; E330-E334 WeakPolarHBondContact O-CB 3.46Å; E330-E334 WeakPolarHBondContact O-CG 3.37Å; E330-E334 PolarHBondContact O-N 3.49Å
331I67.7Low56.1Low35 Ų3592.1 Ų92.118%0.17947%0.469CS..Hα-helixtrans-61.6-38.5175.6-68.1164000111.3M247 A250 R327 L328 N335M247-I331 HydrophobicContact CB-CG2 4.27Å; M247-I331 HydrophobicContact CG-CG2 4.36Å; A250-I331 HydrophobicContact CB-CD1 3.83Å; R327-I331 HydrophobicContact CG-CD1 4.21Å; R327-I331 WeakPolarHBondContact O-CB 3.41Å; R327-I331 WeakPolarHBondContact O-CD1 3.28Å; R327-I331 WeakPolarHBondContact O-CG1 3.42Å; R327-I331 PolarHBondContact O-N 2.88Å; L328-I331 CarbonylContact O-C 3.54Å; L328-I331 WeakPolarHBondContact O-CB 3.45Å; L328-I331 PolarHBondContact O-N 3.39Å; L328-I331 VanDerWaalsContact O-N 3.13Å; I331-N335 WeakPolarHBondContact O-CB 3.38Å; I331-N335 VanDerWaalsContact O-CG 3.31Å; I331-N335 PolarHBondContact O-N 2.73Å; I331-N335 PolarHBondContact O-ND2 3.42Å
332F67.8Low55.4Low20 Ų2087.4 Ų87.49%0.08845%0.446CS..Hα-helixtrans-78.6-31.6179.1-70.9-63.5000112.3K117 M247 L328 D329 E330 N335 N336K117-F332 HydrophobicContact CB-CE1 4.01Å; K117-F332 HydrophobicContact CB-CE2 3.95Å; K117-F332 HydrophobicContact CB-CZ 3.46Å; K117-F332 VanDerWaalsContact CB-CZ 3.46Å; K117-F332 HydrophobicContact CD-CE2 3.95Å; K117-F332 HydrophobicContact CD-CZ 4.35Å; M247-F332 HydrophobicContact CG-CE1 4.28Å; M247-F332 HydrophobicContact CG-CZ 4.45Å; M247-F332 HydrophobicContact SD-CD1 4.11Å; M247-F332 HydrophobicContact SD-CE1 3.41Å; M247-F332 WeakPolarHBondContact SD-CE1 3.47Å; M247-F332 HydrophobicContact SD-CZ 4.11Å; L328-F332 HydrophobicContact CB-CD2 4.01Å; L328-F332 HydrophobicContact CB-CE2 3.88Å; L328-F332 HydrophobicContact CD1-CE2 4.29Å; L328-F332 HydrophobicContact CD2-CE2 3.9Å; L328-F332 HydrophobicContact CG-CE2 4.25Å; L328-F332 WeakPolarHBondContact O-CB 3.47Å; L328-F332 WeakPolarHBondContact O-CD2 3.3Å; L328-F332 WeakPolarHBondContact O-CG 3.43Å; L328-F332 PolarHBondContact O-N 3.5Å; D329-F332 CarbonylContact O-C 3.56Å; D329-F332 PolarHBondContact O-N 3.43Å; E330-F332 VanDerWaalsContact C-N 3.31Å; E330-F332 PolarHBondContact O-N 3.31Å; F332-N335 CarbonylContact O-C 3.59Å; F332-N335 PolarHBondContact O-N 2.89Å; F332-N336 VanDerWaalsContact O-CB 3.23Å; F332-N336 WeakPolarHBondContact O-CB 3.36Å; F332-N336 PolarHBondContact O-N 3.3Å
333L62.3Low54.2Low124 Ų12485.6 Ų85.665%0.64944%0.44SS*.Hα-helixtrans-73.8-43.3177.8-78.7160000110.9D329 E330 N335 N336D329-L333 HydrophobicContact CB-CD1 4.26Å; D329-L333 WeakPolarHBondContact O-CA 3.39Å; D329-L333 WeakPolarHBondContact O-CB 3.32Å; D329-L333 VanDerWaalsContact O-CD1 3.23Å; D329-L333 WeakPolarHBondContact O-CD1 3.26Å; D329-L333 WeakPolarHBondContact O-CG 3.09Å; D329-L333 PolarHBondContact O-N 2.99Å; E330-L333 PolarHBondContact O-N 3.47Å; L333-N335 PolarHBondContact O-N 3.21Å; L333-N336 PolarHBondContact O-N 3.38Å
334E56Low53.1Low161 Ų16184.5 Ų84.575%0.75244%0.443SS*.Hα-helixtrans-59.5-29.7170.7-75.7-174.2171.700111.6E330E330-E334 WeakPolarHBondContact O-CB 3.46Å; E330-E334 WeakPolarHBondContact O-CG 3.37Å; E330-E334 PolarHBondContact O-N 3.49Å
335N52.5Low51.9Low14 Ų1486.1 Ų86.18%0.07546%0.455CS..Hα-helixtrans-86.6-27.7178.8-81.6-33.8000114.7Q125 K243 I331 F332 L333 G337Q125-N335 PolarHBondContact NE2-O 2.9Å; Q125-N335 VanDerWaalsContact NE2-O 3.12Å; K243-N335 VanDerWaalsContact CD-OD1 3.25Å; K243-N335 WeakPolarHBondContact CD-OD1 3.4Å; I331-N335 WeakPolarHBondContact O-CB 3.38Å; I331-N335 VanDerWaalsContact O-CG 3.31Å; I331-N335 PolarHBondContact O-N 2.73Å; I331-N335 PolarHBondContact O-ND2 3.42Å; F332-N335 CarbonylContact O-C 3.59Å; F332-N335 PolarHBondContact O-N 2.89Å; L333-N335 PolarHBondContact O-N 3.21Å; N335-G337 PolarHBondContact O-N 3.28Å
336N48.2Very low50.7Low104 Ų10492.6 Ų92.656%0.55648%0.478SS*.THydrogen-bonded Turntrans-85.42.5-177-82.5-7.8000114.8F332 L333 N338 N339F332-N336 VanDerWaalsContact O-CB 3.23Å; F332-N336 WeakPolarHBondContact O-CB 3.36Å; F332-N336 PolarHBondContact O-N 3.3Å; L333-N336 PolarHBondContact O-N 3.38Å; N336-N338 PolarHBondContact O-N 2.92Å; N336-N339 PolarHBondContact O-N 2.81Å
337G43.5Very low49.2Very low67 Ų6790.2 Ų90.269%0.69147%0.467SS*.THydrogen-bonded Turntrans-57.4-15.9171.600000114.2N335N335-G337 PolarHBondContact O-N 3.28Å
338N40.1Very low47.8Very low103 Ų10391.7 Ų91.755%0.55148%0.477SS*.  trans-108.473.2172.4-62.5-12.7000109.5N336 F340N336-N338 PolarHBondContact O-N 2.92Å; N338-F340 PolarHBondContact O-N 3.4Å
339N33.9Very low46.3Very low142 Ų14294.7 Ų94.776%0.75950%0.499SS*.  trans-68.176.9164.8-16436.4000108.2N336 D341N336-N339 PolarHBondContact O-N 2.81Å; N339-D341 VanDerWaalsContact C-N 3.27Å; N339-D341 PolarHBondContact O-N 3.17Å; N339-D341 VanDerWaalsContact O-N 3.12Å
340F32.9Very low44.4Very low137 Ų13793.4 Ų93.460%0.60150%0.499SS*.  trans-73.696.1160.5-157.7-89.1000104.7Q124 N338 F342Q124-F340 PolarHBondContact NE2-O 2.95Å; Q124-F340 VanDerWaalsContact NE2-O 3.16Å; N338-F340 PolarHBondContact O-N 3.4Å; F340-F342 HydrophobicContact CD1-CB 4.06Å; F340-F342 HydrophobicContact CD1-CD2 4.13Å; F340-F342 AromaticContact CE1-CD2 3.94Å; F340-F342 HydrophobicContact CE1-CD2 3.94Å; F340-F342 PolarHBondContact O-N 3.3Å
341D34Very low42.4Very low134 Ų13493.8 Ų93.872%0.71750%0.504SS*.  trans-61.982.4168.2-162.417.3000106.7N339 D343N339-D341 VanDerWaalsContact C-N 3.27Å; N339-D341 PolarHBondContact O-N 3.17Å; N339-D341 VanDerWaalsContact O-N 3.12Å; D341-D343 PolarHBondContact O-N 2.93Å
342F36.3Very low40.8Very low59 Ų5999 Ų9926%0.25953%0.533SS..  trans-76.485.4176.5-170.7-93.6000106L127 L130 F340 S344L127-F342 HydrophobicContact CD1-CD1 4.37Å; L127-F342 HydrophobicContact CD1-CD2 4.39Å; L127-F342 HydrophobicContact CD1-CG 4.19Å; L130-F342 HydrophobicContact CD1-CE2 4.39Å; F340-F342 HydrophobicContact CD1-CB 4.06Å; F340-F342 HydrophobicContact CD1-CD2 4.13Å; F340-F342 AromaticContact CE1-CD2 3.94Å; F340-F342 HydrophobicContact CE1-CD2 3.94Å; F340-F342 PolarHBondContact O-N 3.3Å; F342-S344 PolarHBondContact O-N 3.5Å
343D32.4Very low39Very low93 Ų93106.3 Ų106.350%0.49757%0.567SS.*  trans-58.7111.3175.1-162.1-1.7000108.5D341 D345 Q346D341-D343 PolarHBondContact O-N 2.93Å; D343-D345 PolarHBondContact O-N 2.96Å; D343-Q346 PolarHBondContact O-N 3.44Å
344S38.1Very low37.4Very low75 Ų75105.3 Ų105.352%0.52457%0.566SS.*THydrogen-bonded Turntrans-60.1-13.4-177.5-167.90000112.1F342F342-S344 PolarHBondContact O-N 3.5Å
345D33.7Very low35.8Very low89 Ų89103.3 Ų103.348%0.47657%0.57SS.*Hα-helixtrans-81.8-16.3-178.2-70.7-21.1000114.1D343 F347 K348 S349D343-D345 PolarHBondContact O-N 2.96Å; D345-F347 PolarHBondContact O-N 3.26Å; D345-K348 PolarHBondContact O-N 3.33Å; D345-S349 PolarHBondContact O-N 3.39Å; D345-S349 PolarHBondContact O-OG 3Å
346Q37.4Very low34.7Very low162 Ų162111.7 Ų111.776%0.75761%0.606SS**Hα-helixtrans-69.1-21.7177.6-146.9175.981.200112.5D343D343-Q346 PolarHBondContact O-N 3.44Å
347F39.9Very low33.6Very low58 Ų58109.3 Ų109.325%0.25461%0.607SS.*Hα-helixtrans-94-29.3175-144.7-94.9000113.6Y85 D345 S349 A350Y85-F347 HydrophobicContact CE1-CE1 4.44Å; D345-F347 PolarHBondContact O-N 3.26Å; F347-S349 PolarHBondContact O-N 3.09Å; F347-A350 PolarHBondContact O-N 3.09Å; F347-A350 VanDerWaalsContact O-N 3.12Å
348K36.4Very low32.7Very low150 Ų150115.4 Ų115.465%0.65262%0.617SS**Hα-helixtrans-63.5-23171.3-71.8-169.8177.8177.20112.8D345D345-K348 PolarHBondContact O-N 3.33Å
349S34.5Very low32.1Very low71 Ų71117.1 Ų117.150%0.49763%0.631SS.*THydrogen-bonded Turntrans-82.3-18.8177.2-53.40000113.5D345 F347D345-S349 PolarHBondContact O-N 3.39Å; D345-S349 PolarHBondContact O-OG 3Å; F347-S349 PolarHBondContact O-N 3.09Å
350A32.4Very low31.9Very low47 Ų47118.8 Ų118.839%0.38864%0.635SS.*THydrogen-bonded Turntrans-75-30-179.100000112.6F347 N352F347-A350 PolarHBondContact O-N 3.09Å; F347-A350 VanDerWaalsContact O-N 3.12Å; A350-N352 VanDerWaalsContact C-N 3.34Å
351D31.1Very low31.7Very low125 Ų125120.1 Ų120.167%0.66865%0.648SS**SBendtrans-78-16.4178.6-73.3-25.6000113.5
352N33.5Very low31.4Very low145 Ų145120.9 Ų120.978%0.77565%0.652SS**SBendtrans-111.13-178.1-80.7-18.4000115.5A350A350-N352 VanDerWaalsContact C-N 3.34Å
353Q29Very low31.4Very low172 Ų172125 Ų12580%0.80468%0.677SS**  trans-13153.1173.3-67.2-168.71400112.7
354T29Very low31.5Very low104 Ų104127.9 Ų127.964%0.63869%0.692SS**  trans-123.650.1151.757.50000110.5F356T354-F356 PolarHBondContact O-N 2.89Å
355S23.2Very low31.3Very low119 Ų119130.4 Ų130.483%0.83270%0.698SS**  trans-69.476.2150.2-172.70000107.2G357S355-G357 VanDerWaalsContact C-N 3.33Å; S355-G357 PolarHBondContact O-N 3.47Å
356F28.5Very low31.4Very low189 Ų189131.5 Ų131.583%0.82971%0.713SS**  trans-67.1103.6161.3-99.4-85.1000105.9T354 E358T354-F356 PolarHBondContact O-N 2.89Å; F356-E358 PolarHBondContact O-N 3.28Å
357G25.3Very low31Very low55 Ų55126.9 Ų126.957%0.56771%0.709SS**  trans-47.1137.5177.800000111.5S355 T359S355-G357 VanDerWaalsContact C-N 3.33Å; S355-G357 PolarHBondContact O-N 3.47Å; G357-T359 VanDerWaalsContact C-N 3.32Å; G357-T359 PolarHBondContact O-N 3.25Å
358E25.3Very low30.6Very low195 Ų195130.8 Ų130.891%0.91173%0.732SS**  trans-53.690.7170.9-60174.3155.600109.7F356 E360F356-E358 PolarHBondContact O-N 3.28Å; E358-E360 PolarHBondContact O-N 3.38Å
359T27.4Very low30.5Very low138 Ų138129.3 Ų129.385%0.84773%0.729SS**  trans-86.6102.5154.444.50000107G357 D361G357-T359 VanDerWaalsContact C-N 3.32Å; G357-T359 PolarHBondContact O-N 3.25Å; T359-D361 PolarHBondContact O-N 3.09Å
360E29Very low30.4Very low178 Ų178133.1 Ų133.183%0.83274%0.744SS**  trans-43.499.5166.5-62.3178.8148.500110.9E358E358-E360 PolarHBondContact O-N 3.38Å
361D28.6Very low30.1Very low165 Ų165133.4 Ų133.488%0.88275%0.752SS**  trans-157.758.8150.7-94.6-25.3000107.4T359T359-D361 PolarHBondContact O-N 3.09Å
362N28.3Very low30Very low150 Ų150133.1 Ų133.180%0.80276%0.759SS**  trans-78.1125.1164.1-87.7-35.7000109
363N35.8Very low30.1Very low146 Ų146132.9 Ų132.978%0.78176%0.757SS**SBendtrans11476.8159.5-57.1-27.5000114.5
364D35.6Very low30.3Very low152 Ų152133.7 Ų133.781%0.81376%0.76SS**SBendtrans-177.34.9132.5-97.8-16.8000115.6
365I33.6Very low31Very low129 Ų129136.2 Ų136.266%0.66277%0.765SS**G310 helixtrans-90.2-12.5-178.8-58.4178.8000113.4G367 L368 I369I365-G367 PolarHBondContact O-N 2.99Å; I365-L368 PolarHBondContact O-N 3.26Å; I365-I369 HydrophobicContact CG2-CD1 4.21Å
366S36.3Very low32.2Very low111 Ų111134.1 Ų134.178%0.77675%0.747SS**G310 helixtrans-69.7-16178.6-167.30000113.9
367G29.3Very low33.3Very low65 Ų65128.9 Ų128.967%0.6773%0.732SS**G310 helixtrans-85.9-18.4178.600000114.8I365I365-G367 PolarHBondContact O-N 2.99Å
368L30.4Very low35Very low141 Ų141130 Ų13074%0.73874%0.735SS**THydrogen-bonded Turntrans-97.5-19.8-171.6-87.5155.9000114.1I365I365-L368 PolarHBondContact O-N 3.26Å
369I33.6Very low37Very low118 Ų118128 Ų12861%0.60573%0.731SS**THydrogen-bonded Turntrans-82.2-18.4-177.6-58.5-180000112.4I365 G371I365-I369 HydrophobicContact CG2-CD1 4.21Å; I369-G371 PolarHBondContact O-N 3.23Å
370N32.5Very low38.5Very low152 Ų152128.6 Ų128.681%0.81372%0.724SS**THydrogen-bonded Turntrans-82.65176-76.6-5.2000114.1S372N370-S372 PolarHBondContact O-N 2.99Å
371G27.2Very low40.1Very low52 Ų52123.7 Ų123.754%0.53670%0.698SS.*SBendtrans-86.992.317500000112.5I369I369-G371 PolarHBondContact O-N 3.23Å
372S29.4Very low41.8Very low119 Ų119119.9 Ų119.983%0.83268%0.678SS**  trans65.355.7153.8-480000117.5N370N370-S372 PolarHBondContact O-N 2.99Å
373I33.8Very low43.6Very low140 Ų140119.8 Ų119.872%0.71868%0.676SS**  trans-85.2106.4147.3-61.4173.5000105.6Q375I373-Q375 VanDerWaalsContact C-N 3.33Å; I373-Q375 PolarHBondContact O-N 2.87Å
374E34.6Very low44.6Very low189 Ų189119 Ų11988%0.88367%0.666SS**  trans-58.297.5171.4-163.7167.9-159.600107.7V376E374-V376 PolarHBondContact O-N 2.92Å
375Q43Very low45.8Very low157 Ų157113.9 Ų113.973%0.73464%0.641SS**PPolyproline II helixtrans-68.6121.8-179.5-70.4-178.1-300108.2I373 P377I373-Q375 VanDerWaalsContact C-N 3.33Å; I373-Q375 PolarHBondContact O-N 2.87Å; Q375-P377 WeakPolarHBondContact O-CD 3.29Å
376V49.1Very low47.5Very low75 Ų75111.4 Ų111.446%0.45563%0.628SS.*PPolyproline II helixtrans-59121.5171.5-179.10000108E374 H380 R381E374-V376 PolarHBondContact O-N 2.92Å; V376-H380 HydrophobicContact CG1-CB 4.13Å; V376-R381 HydrophobicContact CG1-CG 4.4Å; V376-R381 PolarHBondContact O-NE 2.95Å; V376-R381 PolarHBondContact O-NH2 3.33Å
377P50.2Low48.4Very low80 Ų80110.7 Ų110.752%0.51962%0.615SS.*PPolyproline II helixtrans-55.3143.5178.7-26.235.1000111.6Q375 D379 H380Q375-P377 WeakPolarHBondContact O-CD 3.29Å; P377-D379 PolarHBondContact O-N 2.98Å; P377-D379 VanDerWaalsContact O-N 3.08Å; P377-H380 PolarHBondContact O-N 3.26Å
378A62.8Low49.4Very low77 Ų77112.4 Ų112.464%0.63661%0.605SS**G310 helixtrans-52.6-34.1-17500000113.3H380 R381A378-H380 PolarHBondContact O-N 2.89Å; A378-H380 VanDerWaalsContact O-N 3.16Å; A378-R381 PolarHBondContact O-N 3.27Å
379D67.3Low50.5Low153 Ų153110 Ų11082%0.81859%0.592SS**G310 helixtrans-70-10.3-177.5-54.7-27.2000114.3P377P377-D379 PolarHBondContact O-N 2.98Å; P377-D379 VanDerWaalsContact O-N 3.08Å
380H57.5Low51.1Low151 Ų151107.9 Ų107.970%0.69959%0.588SS**G310 helixtrans-114.38.8178.9-67.5-53.3000113.5V376 P377 A378V376-H380 HydrophobicContact CG1-CB 4.13Å; P377-H380 PolarHBondContact O-N 3.26Å; A378-H380 PolarHBondContact O-N 2.89Å; A378-H380 VanDerWaalsContact O-N 3.16Å
381R63.3Low51.6Low75 Ų75106.2 Ų106.228%0.28358%0.579SS.*  trans-85123.9176.4-60.9-172.5179.9-154.4-1.6109.2V376 A378 T385 D386V376-R381 HydrophobicContact CG1-CG 4.4Å; V376-R381 PolarHBondContact O-NE 2.95Å; V376-R381 PolarHBondContact O-NH2 3.33Å; A378-R381 PolarHBondContact O-N 3.27Å; R381-T385 HydrophobicContact CB-CG2 3.98Å; R381-T385 HydrophobicContact CG-CG2 3.9Å; R381-D386 VanDerWaalsContact CD-OD1 3.24Å; R381-D386 WeakPolarHBondContact CD-OD1 3.41Å
382D64Low52.3Low86 Ų86107.9 Ų107.946%0.4659%0.588SS.*  trans-81.4165.3167650.1000110.5F384 T385 D386D382-F384 PolarHBondContact O-N 3.25Å; D382-F384 VanDerWaalsContact O-N 3.1Å; D382-T385 WeakPolarHBondContact O-CA 3.35Å; D382-T385 WeakPolarHBondContact O-CB 3.21Å; D382-T385 PolarHBondContact O-N 3Å; D382-T385 WeakPolarHBondContact OD1-CB 3.43Å; D382-T385 PolarHBondContact OD1-N 3.1Å; D382-T385 PolarHBondContact OD1-OG1 3.3Å; D382-D386 PolarHBondContact O-N 3.38Å; D382-D386 VanDerWaalsContact O-N 3.11Å
383L67.1Low52.6Low147 Ų147110.2 Ų110.277%0.7758%0.583SS**Hα-helixtrans-53.8-34-178.4-179.765.6000112.3L387L383-L387 WeakPolarHBondContact O-CB 3.29Å; L383-L387 PolarHBondContact O-N 3.07Å
384F55.7Low52.7Low131 Ų131109 Ų10958%0.57558%0.578SS**Hα-helixtrans-67.7-45.9175.7-70.9-75.5000111.2D382 D386 L387 F388D382-F384 PolarHBondContact O-N 3.25Å; D382-F384 VanDerWaalsContact O-N 3.1Å; F384-D386 VanDerWaalsContact C-N 3.29Å; F384-D386 PolarHBondContact O-N 3.44Å; F384-L387 CarbonylContact O-C 3.59Å; F384-L387 PolarHBondContact O-N 2.91Å; F384-L387 VanDerWaalsContact O-N 3.16Å; F384-F388 HydrophobicContact CB-CD2 4.18Å; F384-F388 HydrophobicContact CB-CE2 4.08Å; F384-F388 HydrophobicContact CD1-CE2 4.08Å; F384-F388 WeakPolarHBondContact O-CB 3.4Å; F384-F388 WeakPolarHBondContact O-CD2 3.1Å; F384-F388 WeakPolarHBondContact O-CG 3.5Å; F384-F388 PolarHBondContact O-N 3.34Å
385T61.2Low52.7Low44 Ų44105.9 Ų105.927%0.2757%0.567SS.*Hα-helixtrans-56.3-43.2176.3-63.30000111.4R381 D382 F388 L389R381-T385 HydrophobicContact CB-CG2 3.98Å; R381-T385 HydrophobicContact CG-CG2 3.9Å; D382-T385 WeakPolarHBondContact O-CA 3.35Å; D382-T385 WeakPolarHBondContact O-CB 3.21Å; D382-T385 PolarHBondContact O-N 3Å; D382-T385 WeakPolarHBondContact OD1-CB 3.43Å; D382-T385 PolarHBondContact OD1-N 3.1Å; D382-T385 PolarHBondContact OD1-OG1 3.3Å; T385-F388 PolarHBondContact O-N 3.38Å; T385-L389 HydrophobicContact CG2-CD1 3.35Å; T385-L389 HydrophobicContact CG2-CG 4.06Å; T385-L389 WeakPolarHBondContact O-CB 3.41Å; T385-L389 WeakPolarHBondContact O-CG 3.43Å; T385-L389 PolarHBondContact O-N 2.95Å
386D68.2Low52.4Low76 Ų76107.2 Ų107.241%0.40657%0.566SS.*Hα-helixtrans-70.5-38.3176.2-75.6-19.2000113R381 D382 F384 F388 L389 S390R381-D386 VanDerWaalsContact CD-OD1 3.24Å; R381-D386 WeakPolarHBondContact CD-OD1 3.41Å; D382-D386 PolarHBondContact O-N 3.38Å; D382-D386 VanDerWaalsContact O-N 3.11Å; F384-D386 VanDerWaalsContact C-N 3.29Å; F384-D386 PolarHBondContact O-N 3.44Å; D386-F388 PolarHBondContact O-N 3.1Å; D386-L389 PolarHBondContact O-N 3.21Å; D386-S390 WeakPolarHBondContact O-CB 3.49Å; D386-S390 PolarHBondContact O-N 2.94Å; D386-S390 PolarHBondContact O-OG 2.97Å
387L56.9Low51.6Low96 Ų96111.1 Ų111.150%0.50358%0.577SS.*Hα-helixtrans-63.5-29.1174.1-173.564.8000112.2R78 L383 F384R78-L387 PolarHBondContact NE-O 3.43Å; R78-L387 PolarHBondContact NH2-O 3.04Å; L383-L387 WeakPolarHBondContact O-CB 3.29Å; L383-L387 PolarHBondContact O-N 3.07Å; F384-L387 CarbonylContact O-C 3.59Å; F384-L387 PolarHBondContact O-N 2.91Å; F384-L387 VanDerWaalsContact O-N 3.16Å
388F48.7Very low51.1Low102 Ų102111.5 Ų111.545%0.44758%0.577SS.*Hα-helixtrans-95-21.2178.4-68.9-61.9000114.2V75 R78 F384 T385 D386V75-F388 HydrophobicContact CG1-CE1 4.32Å; R78-F388 VanDerWaalsContact NH1-C 3.32Å; R78-F388 PolarHBondContact NH1-O 2.93Å; F384-F388 HydrophobicContact CB-CD2 4.18Å; F384-F388 HydrophobicContact CB-CE2 4.08Å; F384-F388 HydrophobicContact CD1-CE2 4.08Å; F384-F388 WeakPolarHBondContact O-CB 3.4Å; F384-F388 WeakPolarHBondContact O-CD2 3.1Å; F384-F388 WeakPolarHBondContact O-CG 3.5Å; F384-F388 PolarHBondContact O-N 3.34Å; T385-F388 PolarHBondContact O-N 3.38Å; D386-F388 PolarHBondContact O-N 3.1Å
389L54.3Low49.8Very low89 Ų89114.8 Ų114.847%0.46658%0.58SS.*Hα-helixtrans-98.9-11.4178.8-71.5178.1000114.5T385 D386 D391T385-L389 HydrophobicContact CG2-CD1 3.35Å; T385-L389 HydrophobicContact CG2-CG 4.06Å; T385-L389 WeakPolarHBondContact O-CB 3.41Å; T385-L389 WeakPolarHBondContact O-CG 3.43Å; T385-L389 PolarHBondContact O-N 2.95Å; D386-L389 PolarHBondContact O-N 3.21Å; L389-D391 PolarHBondContact O-N 3.43Å
390S47Very low48.1Very low75 Ų75114.6 Ų114.652%0.52457%0.574SS.*  trans-53.1105.9171.7-66.50000108.2R78 D386R78-S390 PolarHBondContact NH1-O 3.17Å; R78-S390 PolarHBondContact NH2-O 3.39Å; D386-S390 WeakPolarHBondContact O-CB 3.49Å; D386-S390 PolarHBondContact O-N 2.94Å; D386-S390 PolarHBondContact O-OG 2.97Å
391D42.4Very low47Very low117 Ų117113.4 Ų113.463%0.62657%0.572SS**  trans-72.3148.2-168.5-164.26.5000109.3L389 K393L389-D391 PolarHBondContact O-N 3.43Å; D391-K393 PolarHBondContact O-N 2.88Å
392A41.9Very low45.7Very low87 Ų87114.2 Ų114.272%0.71959%0.589SS**THydrogen-bonded Turntrans-73.837.7-175.300000113
393K36.6Very low43.9Very low167 Ų167113 Ų11373%0.72660%0.597SS**THydrogen-bonded Turntrans-117.4-4.5-176.7-70.3-170.7-179.31760115D391 D395D391-K393 PolarHBondContact O-N 2.88Å; K393-D395 PolarHBondContact O-N 2.8Å
394D35.3Very low42.2Very low116 Ų116112.1 Ų112.162%0.6259%0.592SS**  trans-98.658.8172.7-97.4-30.1000111.9R396D394-R396 PolarHBondContact O-N 2.91Å; D394-R396 VanDerWaalsContact O-N 3.14Å
395D34.9Very low40.9Very low122 Ų122111.4 Ų111.465%0.65259%0.594SS**THydrogen-bonded Turntrans-73.518.1160.5-71.9-29.6000112.1K393 T398K393-D395 PolarHBondContact O-N 2.8Å; D395-T398 PolarHBondContact O-OG1 3.24Å
396R35.2Very low39.3Very low186 Ų186115.6 Ų115.670%0.70262%0.62SS**THydrogen-bonded Turntrans-88.1-13172.4-76.7-164.5-71.2-134.2-3.3113.8D394 T398D394-R396 PolarHBondContact O-N 2.91Å; D394-R396 VanDerWaalsContact O-N 3.14Å; R396-T398 VanDerWaalsContact C-N 3.34Å
397F34.3Very low37.2Very low157 Ų157121.1 Ų121.169%0.68964%0.635SS**Hα-helixtrans-77.9-22.8175.1-130.5-89.9000112.4
398T39.6Very low35.9Very low87 Ų87122.2 Ų122.253%0.53465%0.648SS.*Hα-helixtrans-77.7-27.6178.440.80000113.4D395 R396 S402D395-T398 PolarHBondContact O-OG1 3.24Å; R396-T398 VanDerWaalsContact C-N 3.34Å; T398-S402 PolarHBondContact O-N 3.18Å; T398-S402 PolarHBondContact O-OG 3.03Å
399E33.6Very low34.9Very low147 Ų147127.2 Ų127.269%0.68767%0.67SS**Hα-helixtrans-71.4-26.4174.4-88.7-173.7160.100113.5S402E399-S402 WeakPolarHBondContact CA-OG 3.03Å; E399-S402 PolarHBondContact O-OG 3.37Å
400Q32.9Very low33.4Very low149 Ų149130.2 Ų130.270%0.69669%0.687SS**Hα-helixtrans-78.6-25.5179.4-77.8-171.5-900113.6
401L33.5Very low32.5Very low125 Ų125136.2 Ų136.265%0.65470%0.704SS**Hα-helixtrans-85.5-23.1177.7-71.9170.1000113G403L401-G403 VanDerWaalsContact C-N 3.28Å; L401-G403 PolarHBondContact O-N 3.37Å
402S36.6Very low31.5Very low93 Ų93133.9 Ų133.965%0.6571%0.707SS**THydrogen-bonded Turntrans-78-10.1175.142.30000113.8T398 E399T398-S402 PolarHBondContact O-N 3.18Å; T398-S402 PolarHBondContact O-OG 3.03Å; E399-S402 WeakPolarHBondContact CA-OG 3.03Å; E399-S402 PolarHBondContact O-OG 3.37Å
403G25.5Very low30.8Very low60 Ų60137.2 Ų137.262%0.61971%0.713SS**THydrogen-bonded Turntrans-85.7-3.7177.400000116L401 D405L401-G403 VanDerWaalsContact C-N 3.28Å; L401-G403 PolarHBondContact O-N 3.37Å; G403-D405 VanDerWaalsContact C-N 3.3Å; G403-D405 PolarHBondContact O-N 3.42Å
404L31.4Very low30.3Very low128 Ų128138 Ų13867%0.6772%0.716SS**  trans-79.185.8173.8-78.5157000109.2T406L404-T406 VanDerWaalsContact C-N 3.26Å; L404-T406 PolarHBondContact O-N 3.18Å; L404-T406 PolarHBondContact O-OG1 3.02Å
405D28Very low30Very low116 Ų116139.9 Ų139.962%0.6273%0.726SS**  trans-51.283.9173.1-158.95.1000110G403 R407G403-D405 VanDerWaalsContact C-N 3.3Å; G403-D405 PolarHBondContact O-N 3.42Å; D405-R407 PolarHBondContact O-N 2.97Å; D405-R407 WeakPolarHBondContact OD1-CG 3.4Å; D405-R407 IonicContact OD1-NE 2.88Å; D405-R407 IonicContact OD2-CZ 2.82Å; D405-R407 IonicContact OD2-NE 3.6Å; D405-R407 PolarHBondContact OD2-NE 3.34Å; D405-R407 IonicContact OD2-NH2 3.8Å
406T27.8Very low29.6Very low133 Ų133137.4 Ų137.482%0.81673%0.73SS**  trans-77.869.1170.928.50000107.9L404 P408L404-T406 VanDerWaalsContact C-N 3.26Å; L404-T406 PolarHBondContact O-N 3.18Å; L404-T406 PolarHBondContact O-OG1 3.02Å; T406-P408 VanDerWaalsContact O-CD 3.22Å; T406-P408 WeakPolarHBondContact O-CD 3.38Å
407R24.7Very low29.2Very low191 Ų191138.6 Ų138.672%0.72174%0.74SS**  trans-64.9116.4164-67.3-173.5-175.7-167.8-4.1107.7D405 F409D405-R407 PolarHBondContact O-N 2.97Å; D405-R407 WeakPolarHBondContact OD1-CG 3.4Å; D405-R407 IonicContact OD1-NE 2.88Å; D405-R407 IonicContact OD2-CZ 2.82Å; D405-R407 IonicContact OD2-NE 3.6Å; D405-R407 PolarHBondContact OD2-NE 3.34Å; D405-R407 IonicContact OD2-NH2 3.8Å; R407-F409 PolarHBondContact O-N 2.87Å
408P29.7Very low28.9Very low119 Ų119136.5 Ų136.577%0.77374%0.74SS**  trans-65.9123.1171.3-6.822.2000107.3T406 N410T406-P408 VanDerWaalsContact O-CD 3.22Å; T406-P408 WeakPolarHBondContact O-CD 3.38Å; P408-N410 PolarHBondContact O-N 3.46Å
409F26.7Very low28.4Very low208 Ų208139.4 Ų139.491%0.91275%0.753SS**  trans-57.2103.9170-97.2-95.7000108.7R407 F411R407-F409 PolarHBondContact O-N 2.87Å; F409-F411 PolarHBondContact O-N 3.42Å
410N24.1Very low28.1Very low151 Ų151140 Ų14081%0.80776%0.76SS**  trans-77.599.4-175.9-157.27.6000108.7P408 G412P408-N410 PolarHBondContact O-N 3.46Å; N410-G412 PolarHBondContact O-N 3.03Å; N410-G412 VanDerWaalsContact O-N 3.11Å
411F28.1Very low27.9Very low202 Ų202138.2 Ų138.289%0.88677%0.765SS**  trans-71.699.8160.2-104.7-86.5000107.2F409 N413F409-F411 PolarHBondContact O-N 3.42Å; F411-N413 PolarHBondContact O-N 3.23Å
412G22.1Very low27.7Very low67 Ų67141.6 Ų141.669%0.69178%0.777SS**  trans-57.3112.4170.800000109.8N410N410-G412 PolarHBondContact O-N 3.03Å; N410-G412 VanDerWaalsContact O-N 3.11Å
413N27.1Very low27.4Very low158 Ų158141.2 Ų141.285%0.84578%0.779SS**  trans-134.1130.7150.2-130.3-0.1000109.4F411F411-N413 PolarHBondContact O-N 3.23Å
414K24.5Very low27.8Very low183 Ų183144.3 Ų144.380%0.79679%0.786SS**  trans-66.5129.1-178.7-64.7162.5170.6170.40108.9
415D29.6Very low27.5Very low156 Ų156148 Ų14883%0.83480%0.797SS**  167.9135.1115.4-78.8-28000108.9
416G25.8Very low27.6Very low70 Ų70147.3 Ų147.372%0.72280%0.801SS**  trans-68.7144-164.400000115
417F26.9Very low27.5Very low210 Ų210148.3 Ų148.392%0.92180%0.802SS**  trans-131.5101.3144.8-125.3-92.5000107.7
418T29.2Very low27.6Very low113 Ų113147.6 Ų147.669%0.69381%0.811SS**  trans-75.7131.3173.737.20000110.6
419N29Very low27.4Very low149 Ų149149.8 Ų149.880%0.79782%0.817SS**  trans42.890.7142.7-55.7-14.3000118.6
420D27Very low27.3Very low158 Ų158148.8 Ų148.885%0.84582%0.815SS**  trans-141.377.9151.4-86.3-33.6000108.5
421S28.1Very low27.3Very low112 Ų112147 Ų14778%0.78381%0.811SS**  trans-134.616.9174.7-160.40000113.9
422E29.4Very low27Very low197 Ų197143.9 Ų143.992%0.92181%0.813SS**SBendtrans-115.213.2177.4-95.8-176.3163.300114.6
423A31Very low26.9Very low84 Ų84148.8 Ų148.869%0.69482%0.818SS**SBendtrans-114.12.9-176.200000116.7
424V32.8Very low26.8Very low125 Ų125149.4 Ų149.476%0.75882%0.821SS**SBendtrans-107.5-9.8-172-174.40000114.5
425F26.1Very low26.7Very low205 Ų205149.6 Ų149.690%0.89983%0.825SS**SBendtrans-105.728.8-172.8-76-76.1000115.9
426S29.2Very low26.4Very low102 Ų102149.6 Ų149.671%0.71383%0.825SS**SBendtrans-104.7-2.7-177.4-60.80000117.4
427D27Very low26.2Very low155 Ų155156.5 Ų156.583%0.82984%0.836SS**SBendtrans-129.426.2-167.2-94.1-19.4000118.5
428L27.4Very low26Very low176 Ų176149.5 Ų149.592%0.92182%0.823SS**  trans-125.362.4164-81.9104.3000112.2
429N24.7Very low25.9Very low165 Ų165150.5 Ų150.588%0.88283%0.831SS**  trans-132.973.7165.3-112.4-10.4000109.6
430Q24.9Very low25.7Very low187 Ų187152.2 Ų152.287%0.87484%0.839SS**  trans-151.8134.8154.8-128.9173.51.600113
431P24.2Very low25.5Very low112 Ų112153.4 Ų153.473%0.72784%0.84SS**  trans-98.3133-167.627.5-12.8000112.7Q433P431-Q433 PolarHBondContact O-N 3.34Å
432C21.6Very low25.1Very low137 Ų137153.5 Ų153.593%0.92684%0.84SS**  trans-83.9108.5171.3-66.70000110.5
433Q19.9Very low24.9Very low170 Ų170150.9 Ų150.979%0.79484%0.837SS**  trans-77.8141.9162.8-62.1177.9-13.700109.2P431P431-Q433 PolarHBondContact O-N 3.34Å
434N25.4Very low24.3Very low171 Ų171149.6 Ų149.691%0.91483%0.833SS**  trans-168.7117.4135.8-90.9-28000111.5
435E20.8Very low23.9Very low188 Ų188149 Ų14988%0.87983%0.834SS**  trans-64.3143.9162.5-61.2-102.1143.700111
436D25Very low23.7Very low156 Ų156148.8 Ų148.883%0.83483%0.833SS**  -172.4105.4125.4-136.9-13.3000110.5
437F20.8Very low23.5Very low215 Ų215152 Ų15294%0.94384%0.842SS**  trans-114106.3167.6-102.9-84.9000108.2
438G22.8Very low23.3Very low63 Ų63150 Ų15065%0.64984%0.835SS**  trans-105.2147.317300000112.8
439P26.6Very low23.2Very low134 Ų134150.8 Ų150.887%0.8783%0.832SS**PPolyproline II helixtrans-98.5135.9-160.25.216.6000113.7
440L25.3Very low23.4Very low184 Ų184154.3 Ų154.396%0.96383%0.833SS**PPolyproline II helixtrans-83.1126.5174.9-96.1163.8000112.2
441Q22.4Very low23.6Very low184 Ų184152 Ų15286%0.8683%0.832SS**PPolyproline II helixtrans-80.6143.2-173.3-159.5170.431.500112.4
442S19.3Very low24.2Very low114 Ų114152 Ų15280%0.79783%0.832SS**PPolyproline II helixtrans-57.2130.3173.6168.90000113.2
443V26Very low24.9Very low141 Ų141152.2 Ų152.286%0.85582%0.822SS**  trans-120.2119.8162.6-169.30000108
444G18.8Very low25.9Very low58 Ų58149.6 Ų149.660%0.59881%0.813SS**  trans-100.914417100000111.7
445S24.4Very low27Very low113 Ų113146 Ų14679%0.7980%0.799SS**  trans176.8110.7143.5-79.80000107.1
446K20.5Very low28.2Very low200 Ų200140.1 Ų140.187%0.8778%0.779SS**  55.686.9102.1-80.8-173.6178.1176.10113.2
447D26.6Very low29.2Very low169 Ų169138.8 Ų138.890%0.90477%0.767SS**  trans-138.7125.3143.4-90.5-38.2000110.3
448T22.4Very low30.1Very low113 Ų113133.4 Ų133.469%0.69375%0.748SS**  trans-85.4150.2175.6-53.40000108.3
449F25.4Very low31.3Very low193 Ų193134.3 Ų134.385%0.84674%0.737SS**  trans90.382.6168.3-57.5-77.7000118.2
450R27.5Very low32.5Very low239 Ų239133.5 Ų133.590%0.90272%0.722SS**  174.3123.4106.6-95.2-175.5-179.3-147.81.3106.6P452R450-P452 WeakPolarHBondContact O-CD 3.45Å; R450-P452 VanDerWaalsContact O-N 3.07Å
451T30.3Very low34Very low138 Ų138130.9 Ų130.985%0.84770%0.704SS**  trans-55.6112.1172.746.70000108.7
452P35.4Very low35.7Very low112 Ų112127.2 Ų127.273%0.72769%0.687SS**PPolyproline II helixtrans-70.1135.517222.4-15.9000107.1R450 L454R450-P452 WeakPolarHBondContact O-CD 3.45Å; R450-P452 VanDerWaalsContact O-N 3.07Å; P452-L454 PolarHBondContact O-N 2.96Å
453I37.2Very low37.3Very low142 Ų142126.2 Ų126.273%0.72867%0.669SS**PPolyproline II helixtrans-47.8117.1173.9-66.9161.3000107.4H457I453-H457 HydrophobicContact CG2-CB 4.41Å
454L41Very low38.5Very low115 Ų115124.9 Ų124.960%0.60265%0.653SS**PPolyproline II helixtrans-61.8137.1-177.7-81157.4000109.1P452 S456 H457P452-L454 PolarHBondContact O-N 2.96Å; L454-S456 PolarHBondContact O-N 3.45Å; L454-H457 PolarHBondContact O-N 3.39Å
455P48.7Very low40.2Very low96 Ų96127.2 Ų127.262%0.62365%0.652SS**Hα-helixtrans-51.1-22.7177.7-28.734.6000114.2H457 L458 L459P455-H457 VanDerWaalsContact C-N 3.31Å; P455-H457 PolarHBondContact O-N 3.32Å; P455-L458 PolarHBondContact O-N 3.39Å; P455-L459 PolarHBondContact O-N 2.98Å
456S45.9Very low41.3Very low64 Ų64128.4 Ų128.445%0.44865%0.649SS.*Hα-helixtrans-59.6-34.8176.555.70000113.8L454 E460L454-S456 PolarHBondContact O-N 3.45Å; S456-E460 VanDerWaalsContact O-CB 3.3Å; S456-E460 WeakPolarHBondContact O-CB 3.42Å; S456-E460 PolarHBondContact O-N 2.6Å
457H46.6Very low42.4Very low127 Ų127126.3 Ų126.359%0.58864%0.64SS**Hα-helixtrans-75.5-30.2179.4-71-62.3000112.9I453 L454 P455 Q461I453-H457 HydrophobicContact CG2-CB 4.41Å; L454-H457 PolarHBondContact O-N 3.39Å; P455-H457 VanDerWaalsContact C-N 3.31Å; P455-H457 PolarHBondContact O-N 3.32Å; H457-Q461 WeakPolarHBondContact O-CB 3.26Å; H457-Q461 PolarHBondContact O-N 3.37Å; H457-Q461 VanDerWaalsContact O-N 3.17Å
458L39.6Very low43Very low103 Ų103123.4 Ų123.454%0.53962%0.624SS.*Hα-helixtrans-76.3-40.6177.6-160.7141.2000110.5P455 Q461 E462P455-L458 PolarHBondContact O-N 3.39Å; L458-Q461 PolarHBondContact O-N 2.87Å; L458-E462 PolarHBondContact O-N 3.09Å
459L48.4Very low43.8Very low82 Ų82123.1 Ų123.143%0.42962%0.624SS.*Hα-helixtrans-63.4-42.1172.4-111.7156.5000112.2P455 Q461 E462 F463P455-L459 PolarHBondContact O-N 2.98Å; L459-Q461 VanDerWaalsContact C-N 3.31Å; L459-Q461 PolarHBondContact O-N 3.37Å; L459-E462 PolarHBondContact O-N 3.23Å; L459-F463 WeakPolarHBondContact O-CB 3.47Å; L459-F463 PolarHBondContact O-N 3.27Å
460E49.9Very low44.3Very low117 Ų117121 Ų12155%0.54762%0.622SS.*Hα-helixtrans-63.3-37.8176.3-162.179.1-145.800111.4S456 F463 Q464S456-E460 VanDerWaalsContact O-CB 3.3Å; S456-E460 WeakPolarHBondContact O-CB 3.42Å; S456-E460 PolarHBondContact O-N 2.6Å; E460-F463 PolarHBondContact O-N 3.21Å; E460-Q464 WeakPolarHBondContact O-CB 3.49Å; E460-Q464 VanDerWaalsContact O-CG 3.27Å; E460-Q464 WeakPolarHBondContact O-CG 3.49Å; E460-Q464 PolarHBondContact O-N 2.98Å
461Q56.9Low44.8Very low128 Ų128114.7 Ų114.760%0.59861%0.61SS**Hα-helixtrans-69.6-39.6177.3-171.3173.7-5.600112H457 L458 L459 F463 Q464 N465H457-Q461 WeakPolarHBondContact O-CB 3.26Å; H457-Q461 PolarHBondContact O-N 3.37Å; H457-Q461 VanDerWaalsContact O-N 3.17Å; L458-Q461 PolarHBondContact O-N 2.87Å; L459-Q461 VanDerWaalsContact C-N 3.31Å; L459-Q461 PolarHBondContact O-N 3.37Å; Q461-F463 VanDerWaalsContact C-N 3.34Å; Q461-Q464 PolarHBondContact O-N 3.27Å; Q461-N465 WeakPolarHBondContact O-CB 3.44Å; Q461-N465 PolarHBondContact O-N 3.2Å; Q461-N465 PolarHBondContact O-ND2 3.05Å
462E59.6Low45Very low108 Ų108113.4 Ų113.451%0.50561%0.607SS.*Hα-helixtrans-64.7-39171.6-73.6179.5172.400111.7L458 L459 N465 L466L458-E462 PolarHBondContact O-N 3.09Å; L459-E462 PolarHBondContact O-N 3.23Å; E462-N465 PolarHBondContact O-N 2.88Å; E462-L466 WeakPolarHBondContact O-CG 3.46Å; E462-L466 PolarHBondContact O-N 3.42Å; E462-L466 VanDerWaalsContact O-N 3.09Å
463F51.7Low44.7Very low93 Ų93116 Ų11641%0.40862%0.615SS.*Hα-helixtrans-64.3-42.5176-129.7-89.6000112.1A220 L459 E460 Q461 L466 F467A220-F463 HydrophobicContact CB-CE2 4.38Å; L459-F463 WeakPolarHBondContact O-CB 3.47Å; L459-F463 PolarHBondContact O-N 3.27Å; E460-F463 PolarHBondContact O-N 3.21Å; Q461-F463 VanDerWaalsContact C-N 3.34Å; F463-L466 PolarHBondContact O-N 3.13Å; F463-F467 HydrophobicContact CD1-CD2 4.08Å; F463-F467 HydrophobicContact CD1-CE2 4.01Å; F463-F467 HydrophobicContact CE1-CD2 4.25Å; F463-F467 AromaticContact CE1-CE2 3.74Å; F463-F467 HydrophobicContact CE1-CE2 3.74Å; F463-F467 HydrophobicContact CZ-CE2 4.5Å; F463-F467 WeakPolarHBondContact O-CD2 2.96Å
464Q51.8Low44.3Very low113 Ų113114.2 Ų114.253%0.52862%0.615SS.*Hα-helixtrans-67.5-37.2177.2-72.5-68.6-18.300112E460 Q461 L466 F467 N468E460-Q464 WeakPolarHBondContact O-CB 3.49Å; E460-Q464 VanDerWaalsContact O-CG 3.27Å; E460-Q464 WeakPolarHBondContact O-CG 3.49Å; E460-Q464 PolarHBondContact O-N 2.98Å; Q461-Q464 PolarHBondContact O-N 3.27Å; Q464-L466 VanDerWaalsContact C-N 3.32Å; Q464-L466 PolarHBondContact O-N 3.23Å; Q464-F467 PolarHBondContact O-N 3.46Å; Q464-N468 PolarHBondContact O-N 3.39Å
465N54.8Low43.8Very low107 Ų107116.5 Ų116.557%0.57263%0.626SS**Hα-helixtrans-69.3-28.3177.2-71.2-21.5000113Q461 E462Q461-N465 WeakPolarHBondContact O-CB 3.44Å; Q461-N465 PolarHBondContact O-N 3.2Å; Q461-N465 PolarHBondContact O-ND2 3.05Å; E462-N465 PolarHBondContact O-N 2.88Å
466L46.5Very low42.8Very low137 Ų137116.8 Ų116.872%0.71763%0.626SS**Hα-helixtrans-73-26.8177.2-80.9161.9000113.6E462 F463 Q464E462-L466 WeakPolarHBondContact O-CG 3.46Å; E462-L466 PolarHBondContact O-N 3.42Å; E462-L466 VanDerWaalsContact O-N 3.09Å; F463-L466 PolarHBondContact O-N 3.13Å; Q464-L466 VanDerWaalsContact C-N 3.32Å; Q464-L466 PolarHBondContact O-N 3.23Å
467F43.6Very low41.8Very low156 Ų156120 Ų12068%0.68464%0.643SS**Hα-helixtrans-109.60.7-173.6-75.2-76.9000115F463 Q464F463-F467 HydrophobicContact CD1-CD2 4.08Å; F463-F467 HydrophobicContact CD1-CE2 4.01Å; F463-F467 HydrophobicContact CE1-CD2 4.25Å; F463-F467 AromaticContact CE1-CE2 3.74Å; F463-F467 HydrophobicContact CE1-CE2 3.74Å; F463-F467 HydrophobicContact CZ-CE2 4.5Å; F463-F467 WeakPolarHBondContact O-CD2 2.96Å; Q464-F467 PolarHBondContact O-N 3.46Å
468N39.3Very low40.8Very low108 Ų108122 Ų12258%0.57865%0.652SS**  trans-139.383.2178.5-138.231.6000111.7Q464 D470Q464-N468 PolarHBondContact O-N 3.39Å; N468-D470 VanDerWaalsContact C-N 3.27Å; N468-D470 PolarHBondContact O-N 3.01Å
469P40.2Very low40.2Very low107 Ų107122 Ų12270%0.69566%0.661SS**THydrogen-bonded Turntrans-75.9-6.4-172.829.3-32.7000114.8T471P469-T471 PolarHBondContact O-N 3.32Å
470D36.1Very low39.1Very low148 Ų148124.4 Ų124.479%0.79168%0.679SS**THydrogen-bonded Turntrans-89.913.9-171-71.1-25.8000115.2N468N468-D470 VanDerWaalsContact C-N 3.27Å; N468-D470 PolarHBondContact O-N 3.01Å
471T36.3Very low37.8Very low108 Ų108128.2 Ų128.266%0.66369%0.693SS**SBendtrans-149.577.5173.2-35.60000112.8P469P469-T471 PolarHBondContact O-N 3.32Å
472S35.5Very low36.4Very low111 Ų111127 Ų12778%0.77670%0.699SS**  170.3103.7128.7-74.90000111
473N29.5Very low34.7Very low167 Ų167127.5 Ų127.589%0.89372%0.715SS**  trans-62.1145.3153.3-78.6-40000109.9
474S28.3Very low33.4Very low103 Ų103131.3 Ų131.372%0.7274%0.738SS**  trans81.875.3168.9-1590000117.2
475I30.2Very low32Very low164 Ų164135.1 Ų135.184%0.84176%0.756SS**  trans-107.288.6138.1-61.7176.8000106.3T477I475-T477 PolarHBondContact O-N 3.36Å
476V28.3Very low30.4Very low102 Ų102136.3 Ų136.362%0.61877%0.772SS**  trans-59.7117.5161.4172.10000106.8Q478V476-Q478 VanDerWaalsContact C-N 3.26Å; V476-Q478 HydrophobicContact CG1-CG 4.17Å; V476-Q478 PolarHBondContact O-N 2.88Å
477T25.8Very low29.4Very low132 Ų132134.4 Ų134.481%0.8178%0.776SS**  trans-59.287.6163.543.60000109.2I475 S479I475-T477 PolarHBondContact O-N 3.36Å; T477-S479 PolarHBondContact O-N 3.43Å
478Q25.6Very low28.3Very low167 Ų167134.8 Ų134.878%0.7879%0.785SS**  trans-80.297.1161.7-83.9-173.2-14.400108.4V476 V480V476-Q478 VanDerWaalsContact C-N 3.26Å; V476-Q478 HydrophobicContact CG1-CG 4.17Å; V476-Q478 PolarHBondContact O-N 2.88Å; Q478-V480 PolarHBondContact O-N 2.96Å
479S25.1Very low27.8Very low104 Ų104136.5 Ų136.573%0.72780%0.799SS**  trans-50.899.6156.81780000109.3T477 K481T477-S479 PolarHBondContact O-N 3.43Å; S479-K481 VanDerWaalsContact C-N 3.27Å; S479-K481 PolarHBondContact O-N 2.89Å; S479-K481 VanDerWaalsContact O-N 3.12Å
480V27.1Very low27.1Very low133 Ų133138.2 Ų138.281%0.80680%0.802SS**  trans-81.181.4165.2-99.60000108.1Q478Q478-V480 PolarHBondContact O-N 2.96Å
481K22Very low26.3Very low196 Ų196137 Ų13785%0.85280%0.8SS**  trans-82.9110.8143.2-84-177.6177178.90106.8S479S479-K481 VanDerWaalsContact C-N 3.27Å; S479-K481 PolarHBondContact O-N 2.89Å; S479-K481 VanDerWaalsContact O-N 3.12Å
482S26.1Very low25.8Very low102 Ų102137.2 Ų137.271%0.71381%0.806SS**  trans-140107151.848.80000109.5
483S25.4Very low25.4Very low119 Ų119136.5 Ų136.583%0.83281%0.807SS**  trans-46.9138.8157.4-68.50000110.1E485S483-E485 PolarHBondContact O-N 2.76Å
484L23.4Very low25.1Very low173 Ų173137.5 Ų137.591%0.90680%0.804SS**  trans-53.2117.8164.5-72.888.3000109.6
485E23.4Very low25Very low193 Ų193138.5 Ų138.590%0.90281%0.81SS**  trans-151.4133.8146.9-126.9167.8-173.600110.8S483S483-E485 PolarHBondContact O-N 2.76Å
486C19.8Very low24.6Very low133 Ų133137.3 Ų137.390%0.89981%0.806SS**  trans-69.4139.6-167.8-57.60000113.1
487A25.7Very low24.6Very low97 Ų97140.5 Ų140.580%0.80282%0.82SS**  trans-169.7121.6134.700000111.2
488N21Very low24.4Very low164 Ų164141 Ų14188%0.87782%0.817SS**  trans-57.4128.7166-74.6-30000111.7
489V29.6Very low24.5Very low144 Ų144139.9 Ų139.987%0.87382%0.816SS**  trans-149.7140141.1-162.20000110.6
490N24.6Very low24.4Very low142 Ų142143.3 Ų143.376%0.75982%0.821SS**  trans-59.8146.2-172-70.2-36.2000118.1
491T20.5Very low24.6Very low122 Ų122143 Ų14375%0.74883%0.825SS**  44.6117.8123.3-31.40000120
492S24.7Very low24.5Very low114 Ų114142.3 Ų142.380%0.79783%0.825SS**  151.1154.5108.359.60000113.9
493A27.8Very low24.5Very low95 Ų95145.6 Ų145.679%0.78583%0.829SS**  trans93.387.9158.800000119.2
494F21.8Very low24.6Very low189 Ų189148.7 Ų148.783%0.82983%0.83SS**  trans-38147.2142.1-77.4-102.5000114.5
495S27Very low24.4Very low123 Ų123148.3 Ų148.386%0.8683%0.828SS**  -165.3118.6122.5-83.20000112.4
496N21.7Very low24.6Very low139 Ų139149 Ų14974%0.74383%0.828SS**  trans-65.1149159.4-84.9-28.3000110.5
497N28Very low24.7Very low170 Ų170152.5 Ų152.591%0.90983%0.828SS**  trans-150.8112.7141.4-100.9-23.8000111.1
498N21.9Very low24.7Very low143 Ų143151.4 Ų151.477%0.76583%0.827SS**  trans-76149.1157.7-78.9-33000109.4
499N27.8Very low24.7Very low142 Ų142152.3 Ų152.376%0.75983%0.825SS**  trans172.6112.3134.8-86.5-24.8000108.9
500Q23Very low24.6Very low176 Ų176152.8 Ų152.882%0.82282%0.823SS**  68.3110.9101.8-75-171.4-4.100115.2
501S31.7Very low24.7Very low127 Ų127152.1 Ų152.189%0.88882%0.824SS**  -172.4104.9126.319.60000110.4
502E20.3Very low24.6Very low182 Ų182154.9 Ų154.985%0.8583%0.833SS**  trans-83.1164.2160.9-75.5175.3128.200110.4
503Q24.9Very low24.7Very low170 Ų170152.6 Ų152.679%0.79483%0.828SS**  trans93105.3163.3-52.5-178.2800116.6
504Q27.3Very low24.4Very low184 Ų184154.5 Ų154.586%0.8683%0.83SS**  -173.7119.693.5-94.3179.134.400111.8
505L20.2Very low24.4Very low165 Ų165151.6 Ų151.686%0.86483%0.828SS**  trans-67.8139.1155.7-107.282.1000109.4
506K28.1Very low24.5Very low207 Ų207151.2 Ų151.290%0.983%0.825SS**  trans-162.5124.3134.4-108.1170.4-168.9-1760112.4
507K20.6Very low24.5Very low207 Ų207151.3 Ų151.390%0.983%0.825SS**  trans-58.5144.3168.2-77.3171.9164.8-178.60111.7
508G26.1Very low24.3Very low75 Ų75150 Ų15077%0.77382%0.823SS**  trans-15596162.400000108.8
509E20.5Very low24.7Very low182 Ų182148.6 Ų148.685%0.8582%0.822SS**  trans-60140.7160.3-68.5161.5135.400109
510N28Very low24.7Very low155 Ų155152 Ų15283%0.82983%0.83SS**  trans-178.8117.4142.6-90.9-18.1000112.7
511T26.8Very low24.9Very low127 Ų127149 Ų14978%0.77983%0.828SS**  trans68.5106.3132.5-16.20000121.1
512L19.2Very low24.7Very low180 Ų180151.3 Ų151.394%0.94283%0.83SS**  trans-35.1126.6150.3-163.176.5000114.3
513G25.4Very low25.3Very low66 Ų66147.5 Ų147.568%0.6882%0.823SS**  trans-172.696.3173.500000114.2
514T22.9Very low25.7Very low136 Ų136145.2 Ų145.283%0.83483%0.826SS**  trans54.6109.1142.5-46.30000121.6
515V20.4Very low26.1Very low128 Ų128144.8 Ų144.878%0.77682%0.824SS**  trans-2.4121.8142.2-174.40000117.6
516S29.7Very low26.8Very low114 Ų114145.9 Ų145.980%0.79783%0.825SS**  trans-149.5129141.855.60000111.1
517N21.4Very low27.4Very low142 Ų142140.7 Ų140.776%0.75981%0.813SS**  trans-79.6134.9171.7-70.2-31.5000109.7
518T24.8Very low29.1Very low141 Ų141134.8 Ų134.887%0.86579%0.794SS**  172.7151.6124.232.50000111.7
519P30.8Very low30.9Very low114 Ų114138.1 Ų138.174%0.7479%0.794SS**  trans-105.1151.7-155.737.9-29.7000113.5
520K26.4Very low33.4Very low214 Ų214134.8 Ų134.893%0.9378%0.781SS**  trans178.2116.6148.9-101.9160.3-170.7-1780111.7
521S28.1Very low35.7Very low112 Ų112131 Ų13178%0.78376%0.762SS**  161.3105.3128.6176.30000109S523S521-S523 PolarHBondContact O-N 2.92Å
522L26.3Very low37.9Very low176 Ų176127.7 Ų127.792%0.92175%0.747SS**  trans-58.6119.2172-71.683.2000110.2
523S32.9Very low40.5Very low102 Ų102126.1 Ų126.171%0.71373%0.728SS**  trans-114120.7146.458.70000107.2S521 Q525S521-S523 PolarHBondContact O-N 2.92Å; S523-Q525 PolarHBondContact O-N 2.97Å
524S33.7Very low42.7Very low122 Ų122127.1 Ų127.185%0.85372%0.718SS**  trans-64.796.3-177.950.90000110.8
525Q35.9Very low45.2Very low175 Ų175125.7 Ų125.782%0.81871%0.705SS**  trans-110.3111.2155.4-69.6-173.3-10.900106.2S523S523-Q525 PolarHBondContact O-N 2.97Å
526Q34.5Very low47.5Very low188 Ų188123.9 Ų123.988%0.87969%0.691SS**PPolyproline II helixtrans-59.4124.5170-77.9-176.8-56.300107.3T528Q526-T528 PolarHBondContact O-N 3.13Å
527P41.7Very low48.9Very low99 Ų99123.6 Ų123.664%0.64368%0.675SS**PPolyproline II helixtrans-61.5129.1178.724.2-30.5000108.1D531P527-D531 HydrophobicContact CB-CB 4.49Å
528T55.7Low51.3Low83 Ų83121.1 Ų121.151%0.50967%0.669SS.*PPolyproline II helixtrans-62.5146.2174.864.60000108.3Q526 L530 D531 A532Q526-T528 PolarHBondContact O-N 3.13Å; T528-L530 PolarHBondContact O-N 3.41Å; T528-D531 PolarHBondContact O-N 3.37Å; T528-D531 PolarHBondContact OG1-OD2 3.47Å; T528-A532 PolarHBondContact O-N 3.26Å
529N63Low52.9Low144 Ų144121.3 Ų121.377%0.7766%0.664SS**Hα-helixtrans-53.6-23.7-175.8-148-22.9000112.4W533N529-W533 WeakPolarHBondContact O-CB 3.45Å; N529-W533 PolarHBondContact O-N 3.12Å; N529-W533 VanDerWaalsContact O-N 3.1Å
530L73.2Confident53.9Low112 Ų112118.4 Ų118.459%0.58664%0.642SS**Hα-helixtrans-68.7-43174.5-158.497.4000113.3T528 A532 W533 L534T528-L530 PolarHBondContact O-N 3.41Å; L530-A532 VanDerWaalsContact C-N 3.32Å; L530-A532 PolarHBondContact O-N 3.4Å; L530-W533 PolarHBondContact O-N 2.7Å; L530-L534 HydrophobicContact CD2-CD1 4.11Å; L530-L534 HydrophobicContact CG-CD1 4.41Å; L530-L534 WeakPolarHBondContact O-CG 3.31Å; L530-L534 PolarHBondContact O-N 3.13Å
531D76.2Confident55.3Low77 Ų77110.2 Ų110.241%0.41262%0.619SS.*Hα-helixtrans-66.9-36.6179.3-64.4-47.2000111.3P527 T528 W533 N535P527-D531 HydrophobicContact CB-CB 4.49Å; T528-D531 PolarHBondContact O-N 3.37Å; T528-D531 PolarHBondContact OG1-OD2 3.47Å; D531-W533 VanDerWaalsContact C-N 3.34Å; D531-N535 WeakPolarHBondContact O-CB 3.4Å; D531-N535 PolarHBondContact O-N 3.31Å; D531-N535 VanDerWaalsContact O-N 3.1Å; D531-N535 PolarHBondContact O-ND2 3.36Å
532A73.1Confident56.7Low57 Ų57111.5 Ų111.547%0.47162%0.624SS.*Hα-helixtrans-65.7-39.2173.100000111.4T528 L530 L536T528-A532 PolarHBondContact O-N 3.26Å; L530-A532 VanDerWaalsContact C-N 3.32Å; L530-A532 PolarHBondContact O-N 3.4Å; A532-L536 PolarHBondContact O-N 3Å
533W73.6Confident57.7Low147 Ų147111.1 Ų111.156%0.55762%0.621SS**Hα-helixtrans-69.9-43.1178.6-167.583.4000112.5N529 L530 D531 L536 F537N529-W533 WeakPolarHBondContact O-CB 3.45Å; N529-W533 PolarHBondContact O-N 3.12Å; N529-W533 VanDerWaalsContact O-N 3.1Å; L530-W533 PolarHBondContact O-N 2.7Å; D531-W533 VanDerWaalsContact C-N 3.34Å; W533-L536 WeakPolarHBondContact O-CB 3.37Å; W533-L536 PolarHBondContact O-N 3.33Å; W533-F537 HydrophobicContact CD2-CD2 4.5Å; W533-F537 HydrophobicContact CD2-CE2 4.01Å; W533-F537 AromaticContact CE2-CE2 3.62Å; W533-F537 HydrophobicContact CE3-CD2 4.44Å; W533-F537 HydrophobicContact CE3-CE2 4.27Å; W533-F537 HydrophobicContact CH2-CD2 4.44Å; W533-F537 AromaticContact CH2-CE2 3.83Å; W533-F537 HydrophobicContact CH2-CE2 3.83Å; W533-F537 HydrophobicContact CH2-CZ 4.42Å; W533-F537 AromaticContact CZ2-CE2 3.54Å; W533-F537 HydrophobicContact CZ2-CE2 3.54Å; W533-F537 HydrophobicContact CZ2-CZ 4.03Å; W533-F537 HydrophobicContact CZ3-CD2 4.41Å; W533-F537 HydrophobicContact CZ3-CE2 4.18Å; W533-F537 WeakPolarHBondContact O-CD2 3.47Å
534L72.4Confident58.3Low87 Ų87108.1 Ų108.146%0.45561%0.607SS.*Hα-helixtrans-68.3-36.2178.2-68.9-179.8000112.5L530 L536 F537 S538L530-L534 HydrophobicContact CD2-CD1 4.11Å; L530-L534 HydrophobicContact CG-CD1 4.41Å; L530-L534 WeakPolarHBondContact O-CG 3.31Å; L530-L534 PolarHBondContact O-N 3.13Å; L534-L536 VanDerWaalsContact C-N 3.27Å; L534-L536 PolarHBondContact O-N 2.85Å; L534-F537 PolarHBondContact O-N 2.88Å; L534-S538 PolarHBondContact O-N 2.91Å; L534-S538 PolarHBondContact O-OG 3.41Å
535N75.8Confident59.2Low106 Ų106106.8 Ų106.857%0.56759%0.59SS**Hα-helixtrans-66.4-26.6175.8-79-45.3000113.6D531 F537 S538D531-N535 WeakPolarHBondContact O-CB 3.4Å; D531-N535 PolarHBondContact O-N 3.31Å; D531-N535 VanDerWaalsContact O-N 3.1Å; D531-N535 PolarHBondContact O-ND2 3.36Å; N535-F537 PolarHBondContact O-N 2.79Å; N535-S538 PolarHBondContact O-N 3.16Å
536L68.9Low60Low90 Ų90102.2 Ų102.247%0.47158%0.576SS.*Hα-helixtrans-61.9-32175.7-166.574.3000112A532 W533 L534A532-L536 PolarHBondContact O-N 3Å; W533-L536 WeakPolarHBondContact O-CB 3.37Å; W533-L536 PolarHBondContact O-N 3.33Å; L534-L536 VanDerWaalsContact C-N 3.27Å; L534-L536 PolarHBondContact O-N 2.85Å
537F59.3Low61Low108 Ų10899.1 Ų99.147%0.47457%0.565SS.*Hα-helixtrans-87.9-23.8178.6-68.5-81.9000113.4W533 L534 N535 D539 L540W533-F537 HydrophobicContact CD2-CD2 4.5Å; W533-F537 HydrophobicContact CD2-CE2 4.01Å; W533-F537 AromaticContact CE2-CE2 3.62Å; W533-F537 HydrophobicContact CE3-CD2 4.44Å; W533-F537 HydrophobicContact CE3-CE2 4.27Å; W533-F537 HydrophobicContact CH2-CD2 4.44Å; W533-F537 AromaticContact CH2-CE2 3.83Å; W533-F537 HydrophobicContact CH2-CE2 3.83Å; W533-F537 HydrophobicContact CH2-CZ 4.42Å; W533-F537 AromaticContact CZ2-CE2 3.54Å; W533-F537 HydrophobicContact CZ2-CE2 3.54Å; W533-F537 HydrophobicContact CZ2-CZ 4.03Å; W533-F537 HydrophobicContact CZ3-CD2 4.41Å; W533-F537 HydrophobicContact CZ3-CE2 4.18Å; W533-F537 WeakPolarHBondContact O-CD2 3.47Å; L534-F537 PolarHBondContact O-N 2.88Å; N535-F537 PolarHBondContact O-N 2.79Å; F537-D539 PolarHBondContact O-N 3.36Å; F537-L540 HydrophobicContact CD1-CD1 3.78Å; F537-L540 HydrophobicContact CE1-CD1 4.21Å; F537-L540 PolarHBondContact O-N 3.45Å
538S71.8Confident61.6Low89 Ų8998.4 Ų98.462%0.62256%0.559SS**Hα-helixtrans-63.3-31.3175.9-60.20000112.8L534 N535L534-S538 PolarHBondContact O-N 2.91Å; L534-S538 PolarHBondContact O-OG 3.41Å; N535-S538 PolarHBondContact O-N 3.16Å
539D57.6Low61.6Low145 Ų14597.7 Ų97.778%0.77555%0.552SS**THydrogen-bonded Turntrans-85.5-7.7177.9-85.7-8.9000113.7F537 G541F537-D539 PolarHBondContact O-N 3.36Å; D539-G541 PolarHBondContact O-N 3.4Å; D539-G541 VanDerWaalsContact O-N 3.14Å
540L52.7Low61Low53 Ų5396.3 Ų96.328%0.27755%0.553SS.*  trans-83.589.6176.2-72.1171.1000109.9F537 P546 I549F537-L540 HydrophobicContact CD1-CD1 3.78Å; F537-L540 HydrophobicContact CE1-CD1 4.21Å; F537-L540 PolarHBondContact O-N 3.45Å; L540-P546 HydrophobicContact CD2-CB 4.28Å; L540-I549 HydrophobicContact CD2-CD1 3.55Å; L540-I549 HydrophobicContact CG-CD1 4.08Å
541G55.7Low59.5Low42 Ų42100 Ų10043%0.43356%0.564SS.*  trans-58.1151.3164.100000111D539 I543 G544D539-G541 PolarHBondContact O-N 3.4Å; D539-G541 VanDerWaalsContact O-N 3.14Å; G541-I543 PolarHBondContact O-N 3.42Å; G541-G544 PolarHBondContact O-N 3.34Å
542P56.3Low57.6Low139 Ų139104.7 Ų104.790%0.90358%0.581SS**THydrogen-bonded Turntrans-61.6-1.1-164.720.1-31.9000116.6
543I47.6Very low55.8Low168 Ų168108.5 Ų108.586%0.86260%0.599SS**THydrogen-bonded Turntrans-139.710.2-177.5-19.7170000111.5G541G541-I543 PolarHBondContact O-N 3.42Å
544G45.3Very low53.8Low40 Ų40105.1 Ų105.141%0.41261%0.609SS.*  trans-85.5118.6-179.300000111.7G541G541-G544 PolarHBondContact O-N 3.34Å
545N53.8Low51.9Low94 Ų94110.1 Ų110.150%0.50363%0.631SS.*  trans-64.4122.9174.9-179.4-10.8000110.7D547 T548N545-D547 PolarHBondContact O-N 3.24Å; N545-D547 PolarHBondContact OD1-N 3.02Å; N545-D547 VanDerWaalsContact OD1-N 3.16Å; N545-T548 PolarHBondContact O-N 3.13Å; N545-T548 PolarHBondContact O-OG1 3.45Å
546P51.7Low49.9Very low79 Ų79109.9 Ų109.951%0.51364%0.643SS.*G310 helixtrans-59.4-25.4-17622.7-34.6000114.7L540 T548 I549L540-P546 HydrophobicContact CD2-CB 4.28Å; P546-T548 PolarHBondContact O-N 3.47Å; P546-T548 VanDerWaalsContact O-N 3.11Å; P546-I549 PolarHBondContact O-N 3.46Å
547D56Low48.3Very low122 Ų122111.6 Ų111.665%0.65266%0.658SS**G310 helixtrans-66.9-14.7-179.3-74.3-20.4000114N545 I549N545-D547 PolarHBondContact O-N 3.24Å; N545-D547 PolarHBondContact OD1-N 3.02Å; N545-D547 VanDerWaalsContact OD1-N 3.16Å; D547-I549 VanDerWaalsContact C-N 3.32Å
548T54.3Low46.7Very low85 Ų85114.6 Ų114.652%0.52168%0.678SS.*G310 helixtrans-79-16178.259.10000113.3N545 P546 K551N545-T548 PolarHBondContact O-N 3.13Å; N545-T548 PolarHBondContact O-OG1 3.45Å; P546-T548 PolarHBondContact O-N 3.47Å; P546-T548 VanDerWaalsContact O-N 3.11Å; T548-K551 PolarHBondContact O-N 2.79Å
549I54.6Low45.3Very low68 Ų68118.9 Ų118.935%0.34972%0.719SS.*G310 helixtrans-70-36-179.2-63.7172.6000110.8L540 P546 D547 K551L540-I549 HydrophobicContact CD2-CD1 3.55Å; L540-I549 HydrophobicContact CG-CD1 4.08Å; P546-I549 PolarHBondContact O-N 3.46Å; D547-I549 VanDerWaalsContact C-N 3.32Å; I549-K551 PolarHBondContact O-N 3.04Å
550S50.8Low44.7Very low114 Ų114117.6 Ų117.680%0.79772%0.716SS**G310 helixtrans-72.4-10.6178.7-540000114.4
551K42.1Very low44.3Very low189 Ų189120.9 Ų120.982%0.82274%0.739SS**G310 helixtrans-103.9-7.3-177.3-69.3-175.1-179.9175.40114.4T548 I549T548-K551 PolarHBondContact O-N 2.79Å; I549-K551 PolarHBondContact O-N 3.04Å
552K36.4Very low43.6Very low176 Ų176125.3 Ų125.377%0.76576%0.756SS**SBendtrans-9996.5173.7-77-175.9179.6175.40110
553T34.6Very low42.9Very low138 Ų138124.5 Ų124.585%0.84775%0.748SS**SBendtrans137.780.8138.6-43.40000111.5
554G32.3Very low42.6Very low75 Ų75121.8 Ų121.877%0.77374%0.741SS**  trans46.583.5143.500000119.5
555Q32.5Very low42.4Very low193 Ų193127.3 Ų127.390%0.90276%0.763SS**  trans-134.279.4141.7-83.7-175.2-5.700108.3
556A33.6Very low41.6Very low101 Ų101129.6 Ų129.684%0.83578%0.781SS**  trans-101.296.8153.300000105.5
557T35.7Very low40.8Very low126 Ų126133.5 Ų133.577%0.77380%0.802SS**  trans-123.8109.2163.450.60000107.8
558D25.5Very low39.6Very low170 Ų170134.5 Ų134.591%0.90981%0.814SS**  trans-8.6122.2160.2-61.3-35.5000117.4
559A42.4Very low38.2Very low179 Ų179139 Ų139100%1.47984%0.841SS**  trans-1620132.700000109.2

Retrieved 559 of 559 residues in 408.7 ms (Link to these results)

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