Q99P16_MOUSE Loading...

Adenosine receptor A3

Receptor for adenosine. The activity of this receptor is mediated by G proteins which inhibit adenylyl cyclase.

AlphaFold DB , UniProt , Accession Q99P16, Species MOUSE (Mus musculus, Mouse), Gene Adora3, Length 107 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
1C47.3Very low50.2Low184 Ų184115 Ų115100%1.24361%0.607SS**  0670-65.90000112.1
2H44.8Very low51.3Low169 Ų169116 Ų11678%0.78261%0.609SS**  trans-1351.1177.3-115.2-76.1000114.3
3F43.3Very low52.7Low174 Ų174113.8 Ų113.876%0.76360%0.603SS**SBendtrans-94.6-20.7-173-129.2-95.1000114.3V7F3-V7 HydrophobicContact CD1-CG2 4.25Å; F3-V7 HydrophobicContact CE1-CG2 4.48Å; F3-V7 WeakPolarHBondContact O-CG2 3.49Å
4R41.1Very low53.9Low172 Ų172108.3 Ų108.365%0.64957%0.571SS**THydrogen-bonded Turntrans-73.5-25.5-179.5-167.597.7174.2-132.6-5.6112.7S8 Y89R4-S8 PolarHBondContact O-OG 3.36Å; R4-Y89 PolarHBondContact NE-OH 2.88Å; R4-Y89 PolarHBondContact NH1-OH 3.28Å; R4-Y89 PolarHBondContact NH2-OH 2.76Å
5S41.9Very low55Low83 Ų83110.5 Ų110.558%0.5858%0.575SS**THydrogen-bonded Turntrans-90.1-21.7-170.4-165.60000114.6
6V47.9Very low56.3Low85 Ų85107.7 Ų107.752%0.51557%0.567SS.*THydrogen-bonded Turntrans-82.8-52.6175.9-125.60000108.5S8 L9V6-S8 PolarHBondContact O-N 3.35Å; V6-L9 PolarHBondContact O-N 2.9Å; V6-L9 VanDerWaalsContact O-N 3.11Å
7V52.1Low57.4Low51 Ų51109.5 Ų109.531%0.30957%0.57SS.*Hα-helixtrans-56.9-21.3179.2174.50000114.2F3 D10 Y11F3-V7 HydrophobicContact CD1-CG2 4.25Å; F3-V7 HydrophobicContact CE1-CG2 4.48Å; F3-V7 WeakPolarHBondContact O-CG2 3.49Å; V7-D10 WeakPolarHBondContact CA-OD2 3.28Å; V7-Y11 HydrophobicContact CB-CD2 4.27Å; V7-Y11 HydrophobicContact CB-CE2 4.28Å; V7-Y11 HydrophobicContact CG1-CD2 3.64Å; V7-Y11 HydrophobicContact CG1-CE2 3.59Å; V7-Y11 HydrophobicContact CG1-CG 4.38Å; V7-Y11 HydrophobicContact CG2-CE2 4.43Å; V7-Y11 VanDerWaalsContact O-CB 3.22Å; V7-Y11 WeakPolarHBondContact O-CB 3.43Å; V7-Y11 WeakPolarHBondContact O-CD2 3.24Å
8S56.9Low58.1Low66 Ų66105 Ų10546%0.46255%0.548SS..Hα-helixtrans-88-12.3-178.638.10000115R4 V6R4-S8 PolarHBondContact O-OG 3.36Å; V6-S8 PolarHBondContact O-N 3.35Å
9L56.8Low59Low117 Ų117102.3 Ų102.361%0.61354%0.536SS*.Hα-helixtrans-101.8-48.3178-76.6166.3000111.7V6 Y11 M12 V13V6-L9 PolarHBondContact O-N 2.9Å; V6-L9 VanDerWaalsContact O-N 3.11Å; L9-Y11 VanDerWaalsContact C-N 3.35Å; L9-Y11 PolarHBondContact O-N 3.45Å; L9-M12 PolarHBondContact O-N 3.22Å; L9-V13 WeakPolarHBondContact O-CG2 3.42Å; L9-V13 PolarHBondContact O-N 3.37Å
10D58.9Low59.9Low86 Ų86108 Ų10846%0.4655%0.55SS.*Hα-helixtrans-64.2-38.3178.48.8-79.2000112V7 F14V7-D10 WeakPolarHBondContact CA-OD2 3.28Å; D10-F14 WeakPolarHBondContact O-CB 3.23Å; D10-F14 PolarHBondContact O-N 2.84Å
11Y60.9Low60.8Low78 Ų78104.9 Ų104.931%0.30654%0.535SS..Hα-helixtrans-68.9-36.8175-80.4-104.3000113V7 L9 F14 F15 N85V7-Y11 HydrophobicContact CB-CD2 4.27Å; V7-Y11 HydrophobicContact CB-CE2 4.28Å; V7-Y11 HydrophobicContact CG1-CD2 3.64Å; V7-Y11 HydrophobicContact CG1-CE2 3.59Å; V7-Y11 HydrophobicContact CG1-CG 4.38Å; V7-Y11 HydrophobicContact CG2-CE2 4.43Å; V7-Y11 VanDerWaalsContact O-CB 3.22Å; V7-Y11 WeakPolarHBondContact O-CB 3.43Å; V7-Y11 WeakPolarHBondContact O-CD2 3.24Å; L9-Y11 VanDerWaalsContact C-N 3.35Å; L9-Y11 PolarHBondContact O-N 3.45Å; Y11-F14 PolarHBondContact O-N 2.77Å; Y11-F15 WeakPolarHBondContact O-CB 3.31Å; Y11-F15 PolarHBondContact O-N 3.37Å; Y11-N85 HydrophobicContact CE1-CB 4.48Å; Y11-N85 PolarHBondContact OH-ND2 2.92Å; Y11-N85 PolarHBondContact OH-OD1 3.45Å
12M64.2Low62.2Low127 Ų12799.9 Ų99.963%0.62650%0.495SS*.Hα-helixtrans-70.4-40.5-179.6-135.9-178.984.700111L9 S16L9-M12 PolarHBondContact O-N 3.22Å; M12-S16 WeakPolarHBondContact O-CB 3.12Å; M12-S16 PolarHBondContact O-N 3.49Å; M12-S16 PolarHBondContact O-OG 2.78Å
13V69.5Low63.9Low88 Ų8895.9 Ų95.953%0.53348%0.483SS..Hα-helixtrans-67.6-42.7174.6175.20000110.4L9 S16 F17L9-V13 WeakPolarHBondContact O-CG2 3.42Å; L9-V13 PolarHBondContact O-N 3.37Å; V13-S16 WeakPolarHBondContact O-CB 3.49Å; V13-S16 PolarHBondContact O-N 3.21Å; V13-F17 WeakPolarHBondContact O-CB 3.31Å; V13-F17 PolarHBondContact O-N 2.81Å
14F68.5Low65.6Low36 Ų3690.6 Ų90.616%0.15847%0.466CS..Hα-helixtrans-62.5-45.6176.2-175.1-87.4000112D10 Y11 S16 F17 V18 F74 W78D10-F14 WeakPolarHBondContact O-CB 3.23Å; D10-F14 PolarHBondContact O-N 2.84Å; Y11-F14 PolarHBondContact O-N 2.77Å; F14-S16 VanDerWaalsContact C-N 3.29Å; F14-S16 PolarHBondContact O-N 2.84Å; F14-F17 PolarHBondContact O-N 3.26Å; F14-V18 HydrophobicContact CD1-CG2 3.81Å; F14-V18 HydrophobicContact CE1-CB 4.24Å; F14-V18 HydrophobicContact CE1-CG2 3.12Å; F14-V18 HydrophobicContact CE2-CG2 4.23Å; F14-V18 HydrophobicContact CZ-CG2 3.36Å; F14-V18 WeakPolarHBondContact O-CB 3.12Å; F14-V18 WeakPolarHBondContact O-CG2 3.28Å; F14-V18 PolarHBondContact O-N 3.2Å; F14-F74 AromaticContact CE2-CE1 3.39Å; F14-F74 HydrophobicContact CE2-CE1 3.39Å; F14-F74 AromaticContact CE2-CZ 3.58Å; F14-F74 HydrophobicContact CE2-CZ 3.58Å; F14-F74 HydrophobicContact CZ-CD1 4.18Å; F14-F74 AromaticContact CZ-CE1 3.39Å; F14-F74 HydrophobicContact CZ-CE1 3.39Å; F14-F74 AromaticContact CZ-CZ 3.96Å; F14-F74 HydrophobicContact CZ-CZ 3.96Å; F14-W78 HydrophobicContact CB-CZ2 4.38Å; F14-W78 AromaticContact CD1-CD1 3.74Å; F14-W78 HydrophobicContact CD1-CD2 4.05Å; F14-W78 AromaticContact CD1-CE2 3.36Å; F14-W78 HydrophobicContact CD1-CG 4.24Å; F14-W78 AromaticContact CD1-CZ2 3.65Å; F14-W78 HydrophobicContact CD1-CZ2 3.65Å; F14-W78 AromaticContact CD1-NE1 3.21Å; F14-W78 HydrophobicContact CD2-CD2 4.27Å; F14-W78 AromaticContact CD2-CE2 3.74Å; F14-W78 HydrophobicContact CD2-CE3 4.36Å; F14-W78 AromaticContact CD2-CH2 3.38Å; F14-W78 HydrophobicContact CD2-CH2 3.38Å; F14-W78 AromaticContact CD2-CZ2 3.27Å; F14-W78 HydrophobicContact CD2-CZ2 3.27Å; F14-W78 AromaticContact CD2-CZ3 3.95Å; F14-W78 HydrophobicContact CD2-CZ3 3.95Å; F14-W78 HydrophobicContact CE1-CB 4.17Å; F14-W78 AromaticContact CE1-CD1 3.06Å; F14-W78 AromaticContact CE1-CD2 3.24Å; F14-W78 HydrophobicContact CE1-CD2 3.24Å; F14-W78 AromaticContact CE1-CE2 3.06Å; F14-W78 HydrophobicContact CE1-CE3 4.03Å; F14-W78 AromaticContact CE1-CG 3.25Å; F14-W78 HydrophobicContact CE1-CG 3.25Å; F14-W78 HydrophobicContact CE1-CH2 4.4Å; F14-W78 AromaticContact CE1-CZ2 3.72Å; F14-W78 HydrophobicContact CE1-CZ2 3.72Å; F14-W78 AromaticContact CE1-NE1 2.99Å; F14-W78 AromaticContact CE2-CD2 3.5Å; F14-W78 HydrophobicContact CE2-CD2 3.5Å; F14-W78 VanDerWaalsContact CE2-CD2 3.5Å; F14-W78 AromaticContact CE2-CE2 3.45Å; F14-W78 VanDerWaalsContact CE2-CE2 3.45Å; F14-W78 AromaticContact CE2-CE3 3.4Å; F14-W78 HydrophobicContact CE2-CE3 3.4Å; F14-W78 HydrophobicContact CE2-CG 4.32Å; F14-W78 AromaticContact CE2-CH2 3.2Å; F14-W78 HydrophobicContact CE2-CH2 3.2Å; F14-W78 AromaticContact CE2-CZ2 3.32Å; F14-W78 HydrophobicContact CE2-CZ2 3.32Å; F14-W78 AromaticContact CE2-CZ3 3.25Å; F14-W78 HydrophobicContact CE2-CZ3 3.25Å; F14-W78 AromaticContact CG-CE2 3.7Å; F14-W78 HydrophobicContact CG-CH2 4.07Å; F14-W78 AromaticContact CG-CZ2 3.45Å; F14-W78 HydrophobicContact CG-CZ2 3.45Å; F14-W78 VanDerWaalsContact CG-CZ2 3.45Å; F14-W78 AromaticContact CG-NE1 3.97Å; F14-W78 HydrophobicContact CZ-CB 4.07Å; F14-W78 AromaticContact CZ-CD1 3.65Å; F14-W78 AromaticContact CZ-CD2 2.92Å; F14-W78 HydrophobicContact CZ-CD2 2.92Å; F14-W78 AromaticContact CZ-CE2 3.13Å; F14-W78 AromaticContact CZ-CE3 3.21Å; F14-W78 HydrophobicContact CZ-CE3 3.21Å; F14-W78 AromaticContact CZ-CG 3.31Å; F14-W78 HydrophobicContact CZ-CG 3.31Å; F14-W78 AromaticContact CZ-CH2 3.8Å; F14-W78 HydrophobicContact CZ-CH2 3.8Å; F14-W78 AromaticContact CZ-CZ2 3.57Å; F14-W78 HydrophobicContact CZ-CZ2 3.57Å; F14-W78 AromaticContact CZ-CZ3 3.64Å; F14-W78 HydrophobicContact CZ-CZ3 3.64Å; F14-W78 AromaticContact CZ-NE1 3.6Å
15F70.4Confident67.5Low142 Ų14283.7 Ų83.762%0.62344%0.441SS*.Hα-helixtrans-61.4-39.2175.5-177-96000111.6Y11 V18 T19Y11-F15 WeakPolarHBondContact O-CB 3.31Å; Y11-F15 PolarHBondContact O-N 3.37Å; F15-V18 PolarHBondContact O-N 3.17Å; F15-T19 VanDerWaalsContact O-CB 3.26Å; F15-T19 WeakPolarHBondContact O-CB 3.01Å; F15-T19 PolarHBondContact O-N 2.82Å; F15-T19 PolarHBondContact O-OG1 3.49Å
16S76.7Confident69.4Low65 Ų6583.1 Ų83.146%0.45543%0.434SS..Hα-helixtrans-65-44175.2-59.40000111.3M12 V13 F14 T19 W20M12-S16 WeakPolarHBondContact O-CB 3.12Å; M12-S16 PolarHBondContact O-N 3.49Å; M12-S16 PolarHBondContact O-OG 2.78Å; V13-S16 WeakPolarHBondContact O-CB 3.49Å; V13-S16 PolarHBondContact O-N 3.21Å; F14-S16 VanDerWaalsContact C-N 3.29Å; F14-S16 PolarHBondContact O-N 2.84Å; S16-T19 PolarHBondContact O-N 3.18Å; S16-W20 WeakPolarHBondContact O-CB 3.25Å; S16-W20 PolarHBondContact O-N 3.13Å
17F74.6Confident71.1Confident138 Ų13882.5 Ų82.561%0.60543%0.43SS*.Hα-helixtrans-63.1-44.7176.1-120.6-88.6000111.9V13 F14 W20 I21V13-F17 WeakPolarHBondContact O-CB 3.31Å; V13-F17 PolarHBondContact O-N 2.81Å; F14-F17 PolarHBondContact O-N 3.26Å; F17-W20 PolarHBondContact O-N 3.36Å; F17-I21 HydrophobicContact CD1-CD1 4.01Å; F17-I21 VanDerWaalsContact O-CB 3.3Å; F17-I21 WeakPolarHBondContact O-CB 3.24Å; F17-I21 VanDerWaalsContact O-CG1 3.26Å; F17-I21 WeakPolarHBondContact O-CG1 3.45Å; F17-I21 PolarHBondContact O-N 2.73Å
18V70.8Confident72.4Confident29 Ų2984.5 Ų84.518%0.17644%0.437CS..Hα-helixtrans-64.7-44.8175.8167.10000110.5F14 F15 W20 I21 L22F14-V18 HydrophobicContact CD1-CG2 3.81Å; F14-V18 HydrophobicContact CE1-CB 4.24Å; F14-V18 HydrophobicContact CE1-CG2 3.12Å; F14-V18 HydrophobicContact CE2-CG2 4.23Å; F14-V18 HydrophobicContact CZ-CG2 3.36Å; F14-V18 WeakPolarHBondContact O-CB 3.12Å; F14-V18 WeakPolarHBondContact O-CG2 3.28Å; F14-V18 PolarHBondContact O-N 3.2Å; F15-V18 PolarHBondContact O-N 3.17Å; V18-W20 VanDerWaalsContact C-N 3.3Å; V18-W20 PolarHBondContact O-N 2.87Å; V18-I21 CarbonylContact O-C 3.57Å; V18-I21 PolarHBondContact O-N 3.35Å; V18-I21 VanDerWaalsContact O-N 3.12Å; V18-L22 WeakPolarHBondContact O-CA 3.07Å; V18-L22 WeakPolarHBondContact O-CB 3.32Å; V18-L22 PolarHBondContact O-N 3.36Å
19T74.2Confident73.4Confident54 Ų5484 Ų8433%0.33143%0.433SS..Hα-helixtrans-60.3-43.9176.9-59.10000110.5F15 S16 I21 L22 V23F15-T19 VanDerWaalsContact O-CB 3.26Å; F15-T19 WeakPolarHBondContact O-CB 3.01Å; F15-T19 PolarHBondContact O-N 2.82Å; F15-T19 PolarHBondContact O-OG1 3.49Å; S16-T19 PolarHBondContact O-N 3.18Å; T19-I21 VanDerWaalsContact C-N 3.26Å; T19-I21 PolarHBondContact O-N 2.88Å; T19-L22 PolarHBondContact O-N 2.92Å; T19-V23 HydrophobicContact CG2-CG2 4.4Å; T19-V23 WeakPolarHBondContact O-CG2 3.38Å; T19-V23 PolarHBondContact O-N 3.37Å
20W77.2Confident74.7Confident215 Ų21582.6 Ų82.681%0.81443%0.429SS*.Hα-helixtrans-63.6-31.7176.7-158.5-84.9000113.2S16 F17 V18 P24S16-W20 WeakPolarHBondContact O-CB 3.25Å; S16-W20 PolarHBondContact O-N 3.13Å; F17-W20 PolarHBondContact O-N 3.36Å; V18-W20 VanDerWaalsContact C-N 3.3Å; V18-W20 PolarHBondContact O-N 2.87Å; W20-P24 WeakPolarHBondContact O-CD 3.4Å; W20-P24 WeakPolarHBondContact O-CG 3.45Å
21I78.3Confident75.9Confident44 Ų4481.2 Ų81.223%0.22642%0.421CS..Hα-helixtrans-80.6-33.2174.8-78171.1000112F17 V18 T19 P24 L71F17-I21 HydrophobicContact CD1-CD1 4.01Å; F17-I21 VanDerWaalsContact O-CB 3.3Å; F17-I21 WeakPolarHBondContact O-CB 3.24Å; F17-I21 VanDerWaalsContact O-CG1 3.26Å; F17-I21 WeakPolarHBondContact O-CG1 3.45Å; F17-I21 PolarHBondContact O-N 2.73Å; V18-I21 CarbonylContact O-C 3.57Å; V18-I21 PolarHBondContact O-N 3.35Å; V18-I21 VanDerWaalsContact O-N 3.12Å; T19-I21 VanDerWaalsContact C-N 3.26Å; T19-I21 PolarHBondContact O-N 2.88Å; I21-P24 WeakPolarHBondContact O-CD 3.27Å; I21-P24 VanDerWaalsContact O-CG 3.31Å; I21-P24 WeakPolarHBondContact O-CG 3.49Å; I21-L71 HydrophobicContact CB-CD2 4.43Å; I21-L71 HydrophobicContact CD1-CD2 4.07Å; I21-L71 HydrophobicContact CG1-CD2 4.28Å; I21-L71 HydrophobicContact CG2-CB 3.95Å; I21-L71 HydrophobicContact CG2-CD1 3.84Å; I21-L71 HydrophobicContact CG2-CD2 3.33Å; I21-L71 HydrophobicContact CG2-CG 3.84Å
22L76.6Confident76.6Confident78 Ų7883.6 Ų83.641%0.40843%0.431SS..Hα-helixtrans-76.9-35.5-177.2-162.8104.8000110.8V18 T19 L25 V26V18-L22 WeakPolarHBondContact O-CA 3.07Å; V18-L22 WeakPolarHBondContact O-CB 3.32Å; V18-L22 PolarHBondContact O-N 3.36Å; T19-L22 PolarHBondContact O-N 2.92Å; L22-L25 CarbonylContact O-C 3.58Å; L22-L25 WeakPolarHBondContact O-CA 3.28Å; L22-L25 VanDerWaalsContact O-CB 3.31Å; L22-L25 WeakPolarHBondContact O-CB 3.43Å; L22-L25 PolarHBondContact O-N 2.9Å; L22-L25 VanDerWaalsContact O-N 3.14Å; L22-V26 HydrophobicContact CD2-CG2 4.23Å; L22-V26 HydrophobicContact CG-CG2 4.29Å; L22-V26 VanDerWaalsContact O-CG2 3.31Å; L22-V26 WeakPolarHBondContact O-CG2 3.23Å; L22-V26 PolarHBondContact O-N 3.3Å
23V80.6Confident77.5Confident86 Ų8683 Ų8352%0.52143%0.429SS..Hα-helixtrans-53.1-56.8175166.40000112.3T19 L25 V26 V27T19-V23 HydrophobicContact CG2-CG2 4.4Å; T19-V23 WeakPolarHBondContact O-CG2 3.38Å; T19-V23 PolarHBondContact O-N 3.37Å; V23-L25 PolarHBondContact O-N 2.98Å; V23-V26 PolarHBondContact O-N 3.47Å; V23-V27 WeakPolarHBondContact O-CG2 3.42Å; V23-V27 PolarHBondContact O-N 3.03Å
24P79.6Confident78.1Confident63 Ų6383.1 Ų83.141%0.40943%0.427SS..Hα-helixtrans-64.6-30.4177.722.3-30000111.8W20 I21 V27 M28W20-P24 WeakPolarHBondContact O-CD 3.4Å; W20-P24 WeakPolarHBondContact O-CG 3.45Å; I21-P24 WeakPolarHBondContact O-CD 3.27Å; I21-P24 VanDerWaalsContact O-CG 3.31Å; I21-P24 WeakPolarHBondContact O-CG 3.49Å; P24-V27 PolarHBondContact O-N 2.9Å; P24-M28 WeakPolarHBondContact O-CB 3.2Å; P24-M28 WeakPolarHBondContact O-CG 3.5Å; P24-M28 PolarHBondContact O-N 3.07Å
25L81.4Confident78.5Confident26 Ų2683.6 Ų83.614%0.13643%0.431CS..Hα-helixtrans-64.4-44.7175.1-166.2130.9000112L22 V23 M28 C29 F68 L71L22-L25 CarbonylContact O-C 3.58Å; L22-L25 WeakPolarHBondContact O-CA 3.28Å; L22-L25 VanDerWaalsContact O-CB 3.31Å; L22-L25 WeakPolarHBondContact O-CB 3.43Å; L22-L25 PolarHBondContact O-N 2.9Å; L22-L25 VanDerWaalsContact O-N 3.14Å; V23-L25 PolarHBondContact O-N 2.98Å; L25-M28 PolarHBondContact O-N 3.01Å; L25-C29 PolarHBondContact O-N 3.5Å; L25-F68 HydrophobicContact CD1-CD2 3.36Å; L25-F68 HydrophobicContact CD1-CE2 3.56Å; L25-F68 HydrophobicContact CD1-CG 4.07Å; L25-F68 HydrophobicContact CD1-CZ 4.36Å; L25-F68 HydrophobicContact CD2-CD2 4.19Å; L25-F68 HydrophobicContact CD2-CE2 3.53Å; L25-F68 HydrophobicContact CD2-CZ 4.21Å; L25-F68 HydrophobicContact CG-CD2 3.44Å; L25-F68 VanDerWaalsContact CG-CD2 3.44Å; L25-F68 HydrophobicContact CG-CE2 3.31Å; L25-F68 HydrophobicContact CG-CZ 4.34Å; L25-L71 HydrophobicContact CD1-CB 4.01Å
26V81.4Confident79Confident71 Ų7181.5 Ų81.543%0.4342%0.422SS..Hα-helixtrans-66.1-44.3175.9171.90000110.9L22 V23 M28 C29 V30L22-V26 HydrophobicContact CD2-CG2 4.23Å; L22-V26 HydrophobicContact CG-CG2 4.29Å; L22-V26 VanDerWaalsContact O-CG2 3.31Å; L22-V26 WeakPolarHBondContact O-CG2 3.23Å; L22-V26 PolarHBondContact O-N 3.3Å; V23-V26 PolarHBondContact O-N 3.47Å; V26-M28 VanDerWaalsContact C-N 3.28Å; V26-M28 PolarHBondContact O-N 3.41Å; V26-C29 WeakPolarHBondContact O-CB 3.12Å; V26-C29 PolarHBondContact O-N 3.25Å; V26-C29 VanDerWaalsContact O-N 3.13Å; V26-V30 HydrophobicContact CG1-CG2 4.3Å; V26-V30 WeakPolarHBondContact O-CG2 3.31Å; V26-V30 PolarHBondContact O-N 3.34Å
27V84.3Confident79.1Confident72 Ų7287 Ų8744%0.43643%0.434SS..Hα-helixtrans-56.7-44.2175.4170.40000110.6V23 P24 V30 I31V23-V27 WeakPolarHBondContact O-CG2 3.42Å; V23-V27 PolarHBondContact O-N 3.03Å; P24-V27 PolarHBondContact O-N 2.9Å; V27-V30 PolarHBondContact O-N 3.27Å; V27-I31 HydrophobicContact CG1-CD1 3.7Å; V27-I31 HydrophobicContact CG1-CG1 4.41Å; V27-I31 WeakPolarHBondContact O-CB 3.26Å; V27-I31 VanDerWaalsContact O-CG1 3.25Å; V27-I31 WeakPolarHBondContact O-CG1 3.46Å; V27-I31 PolarHBondContact O-N 3.34Å
28M77.9Confident79.2Confident93 Ų9384.4 Ų84.446%0.45843%0.425SS..Hα-helixtrans-64.7-40.3176.6-69.7-66.5165.400112.5P24 L25 V26 Y32P24-M28 WeakPolarHBondContact O-CB 3.2Å; P24-M28 WeakPolarHBondContact O-CG 3.5Å; P24-M28 PolarHBondContact O-N 3.07Å; L25-M28 PolarHBondContact O-N 3.01Å; V26-M28 VanDerWaalsContact C-N 3.28Å; V26-M28 PolarHBondContact O-N 3.41Å; M28-Y32 VanDerWaalsContact O-CB 3.28Å; M28-Y32 WeakPolarHBondContact O-CB 3.35Å; M28-Y32 PolarHBondContact O-N 3.44Å
29C78.6Confident79.3Confident56 Ų5684.2 Ų84.238%0.37842%0.423SS..Hα-helixtrans-62.9-44.7174.5-91.70000112.4L25 V26 Y32 L33L25-C29 PolarHBondContact O-N 3.5Å; V26-C29 WeakPolarHBondContact O-CB 3.12Å; V26-C29 PolarHBondContact O-N 3.25Å; V26-C29 VanDerWaalsContact O-N 3.13Å; C29-Y32 PolarHBondContact O-N 3.46Å; C29-L33 WeakPolarHBondContact O-CG 2.91Å; C29-L33 PolarHBondContact O-N 3.36Å
30V84.9Confident79.1Confident87 Ų8789.8 Ų89.853%0.52744%0.438SS..Hα-helixtrans-63.5-48.4178.31720000110.4V26 V27 Y32 L33 D34V26-V30 HydrophobicContact CG1-CG2 4.3Å; V26-V30 WeakPolarHBondContact O-CG2 3.31Å; V26-V30 PolarHBondContact O-N 3.34Å; V27-V30 PolarHBondContact O-N 3.27Å; V30-Y32 VanDerWaalsContact C-N 3.26Å; V30-Y32 PolarHBondContact O-N 3.27Å; V30-L33 PolarHBondContact O-N 3.19Å; V30-D34 VanDerWaalsContact O-CB 3.28Å; V30-D34 WeakPolarHBondContact O-CB 3.26Å; V30-D34 PolarHBondContact O-N 3.23Å
31I83.5Confident78.8Confident57 Ų5784.6 Ų84.629%0.29243%0.426SS..Hα-helixtrans-59.2-40.2175.8-67.8169.8000110.4V27 D34 I35 Y57V27-I31 HydrophobicContact CG1-CD1 3.7Å; V27-I31 HydrophobicContact CG1-CG1 4.41Å; V27-I31 WeakPolarHBondContact O-CB 3.26Å; V27-I31 VanDerWaalsContact O-CG1 3.25Å; V27-I31 WeakPolarHBondContact O-CG1 3.46Å; V27-I31 PolarHBondContact O-N 3.34Å; I31-D34 PolarHBondContact O-N 3.31Å; I31-I35 HydrophobicContact CG2-CD1 3.59Å; I31-I35 HydrophobicContact CG2-CG1 4.21Å; I31-I35 VanDerWaalsContact O-CB 3.23Å; I31-I35 WeakPolarHBondContact O-CB 3.31Å; I31-I35 WeakPolarHBondContact O-CD1 3.38Å; I31-I35 WeakPolarHBondContact O-CG1 3.48Å; I31-I35 PolarHBondContact O-N 3.14Å; I31-Y57 HydrophobicContact CG2-CE1 4.17Å
32Y76.1Confident78.2Confident128 Ų12888.1 Ų88.150%0.50244%0.44SS..Hα-helixtrans-66.2-43.1178.4-170.4-91.3000112.8M28 C29 V30 F36 F61M28-Y32 VanDerWaalsContact O-CB 3.28Å; M28-Y32 WeakPolarHBondContact O-CB 3.35Å; M28-Y32 PolarHBondContact O-N 3.44Å; C29-Y32 PolarHBondContact O-N 3.46Å; V30-Y32 VanDerWaalsContact C-N 3.26Å; V30-Y32 PolarHBondContact O-N 3.27Å; Y32-F36 VanDerWaalsContact O-CB 3.27Å; Y32-F36 WeakPolarHBondContact O-CB 3.47Å; Y32-F36 PolarHBondContact O-N 2.98Å; Y32-F61 HydrophobicContact CD2-CE2 4.1Å; Y32-F61 HydrophobicContact CD2-CZ 4.43Å; Y32-F61 HydrophobicContact CE2-CE2 4.47Å; Y32-F61 HydrophobicContact CE2-CZ 4.47Å
33L81.5Confident77.4Confident114 Ų11489 Ų8960%0.59744%0.444SS*.Hα-helixtrans-66.1-43.4176.4-73.3174.2000111.2C29 V30 F36 Y37C29-L33 WeakPolarHBondContact O-CG 2.91Å; C29-L33 PolarHBondContact O-N 3.36Å; V30-L33 PolarHBondContact O-N 3.19Å; L33-F36 CarbonylContact O-C 3.59Å; L33-F36 PolarHBondContact O-N 2.87Å; L33-Y37 VanDerWaalsContact O-CB 3.31Å; L33-Y37 WeakPolarHBondContact O-CB 3.17Å; L33-Y37 PolarHBondContact O-N 2.9Å
34D82.3Confident76.4Confident91 Ų9189.8 Ų89.849%0.48745%0.454SS..Hα-helixtrans-62.4-47.6177.7-171.5-100.8000110.9V30 I31 F36 Y37 I38V30-D34 VanDerWaalsContact O-CB 3.28Å; V30-D34 WeakPolarHBondContact O-CB 3.26Å; V30-D34 PolarHBondContact O-N 3.23Å; I31-D34 PolarHBondContact O-N 3.31Å; D34-F36 PolarHBondContact O-N 3.36Å; D34-Y37 PolarHBondContact O-N 2.94Å; D34-Y37 VanDerWaalsContact O-N 3.17Å; D34-I38 WeakPolarHBondContact O-CB 3.47Å; D34-I38 VanDerWaalsContact O-CG1 3.28Å; D34-I38 WeakPolarHBondContact O-CG1 3.33Å; D34-I38 PolarHBondContact O-N 2.8Å; D34-I38 WeakPolarHBondContact OD1-CD1 3.48Å
35I78.4Confident75.5Confident47 Ų4793.5 Ų93.524%0.24147%0.466CS..Hα-helixtrans-55.4-54.1170.5-72170.6000109I31 Y37 I38 I39 Y57I31-I35 HydrophobicContact CG2-CD1 3.59Å; I31-I35 HydrophobicContact CG2-CG1 4.21Å; I31-I35 VanDerWaalsContact O-CB 3.23Å; I31-I35 WeakPolarHBondContact O-CB 3.31Å; I31-I35 WeakPolarHBondContact O-CD1 3.38Å; I31-I35 WeakPolarHBondContact O-CG1 3.48Å; I31-I35 PolarHBondContact O-N 3.14Å; I35-Y37 PolarHBondContact O-N 3.02Å; I35-I38 PolarHBondContact O-N 3.33Å; I35-I39 HydrophobicContact CG2-CD1 3.34Å; I35-I39 HydrophobicContact CG2-CG1 3.81Å; I35-I39 WeakPolarHBondContact O-CA 3.3Å; I35-I39 WeakPolarHBondContact O-CB 3.18Å; I35-I39 WeakPolarHBondContact O-CG1 3.11Å; I35-I39 PolarHBondContact O-N 3.38Å; I35-Y57 HydrophobicContact CD1-CD1 3.97Å; I35-Y57 HydrophobicContact CD1-CE1 3.86Å; I35-Y57 HydrophobicContact CD1-CG 4.38Å
36F79.4Confident74.5Confident97 Ų9798.7 Ų98.743%0.42549%0.494SS..Hα-helixtrans-57.4-36.7-179.7-172-93.8000112.9Y32 L33 D34 I39 R40Y32-F36 VanDerWaalsContact O-CB 3.27Å; Y32-F36 WeakPolarHBondContact O-CB 3.47Å; Y32-F36 PolarHBondContact O-N 2.98Å; L33-F36 CarbonylContact O-C 3.59Å; L33-F36 PolarHBondContact O-N 2.87Å; D34-F36 PolarHBondContact O-N 3.36Å; F36-I39 WeakPolarHBondContact O-CB 3.26Å; F36-R40 VanDerWaalsContact O-CB 3.24Å; F36-R40 WeakPolarHBondContact O-CB 3.47Å; F36-R40 PolarHBondContact O-N 3.49Å
37Y79.6Confident73.3Confident180 Ų180100.6 Ų100.671%0.70650%0.501SS*.Hα-helixtrans-70.3-49.5178.8-145.7-89.8000111.5L33 D34 I35 I39 R40 N41L33-Y37 VanDerWaalsContact O-CB 3.31Å; L33-Y37 WeakPolarHBondContact O-CB 3.17Å; L33-Y37 PolarHBondContact O-N 2.9Å; D34-Y37 PolarHBondContact O-N 2.94Å; D34-Y37 VanDerWaalsContact O-N 3.17Å; I35-Y37 PolarHBondContact O-N 3.02Å; Y37-I39 PolarHBondContact O-N 3.31Å; Y37-R40 PolarHBondContact O-N 3.33Å; Y37-N41 VanDerWaalsContact O-CB 3.31Å; Y37-N41 WeakPolarHBondContact O-CB 3.26Å; Y37-N41 PolarHBondContact O-N 2.88Å
38I76.9Confident72Confident84 Ų84102.3 Ų102.343%0.43152%0.516SS..Hα-helixtrans-58.1-42.9173.1-68.8168.4000109.7D34 I35 N41 K42D34-I38 WeakPolarHBondContact O-CB 3.47Å; D34-I38 VanDerWaalsContact O-CG1 3.28Å; D34-I38 WeakPolarHBondContact O-CG1 3.33Å; D34-I38 PolarHBondContact O-N 2.8Å; D34-I38 WeakPolarHBondContact OD1-CD1 3.48Å; I35-I38 PolarHBondContact O-N 3.33Å; I38-N41 PolarHBondContact O-N 3.41Å; I38-K42 HydrophobicContact CG2-CG 4.02Å; I38-K42 VanDerWaalsContact O-CB 3.23Å; I38-K42 WeakPolarHBondContact O-CB 3.37Å; I38-K42 VanDerWaalsContact O-CG 3.24Å; I38-K42 WeakPolarHBondContact O-CG 3.31Å; I38-K42 PolarHBondContact O-N 3.44Å
39I72Confident71Confident25 Ų25100.6 Ų100.613%0.12852%0.522CS..Hα-helixtrans-59-51178.3-76.8-178.2000110I35 F36 Y37 N41 K42 L43 F50I35-I39 HydrophobicContact CG2-CD1 3.34Å; I35-I39 HydrophobicContact CG2-CG1 3.81Å; I35-I39 WeakPolarHBondContact O-CA 3.3Å; I35-I39 WeakPolarHBondContact O-CB 3.18Å; I35-I39 WeakPolarHBondContact O-CG1 3.11Å; I35-I39 PolarHBondContact O-N 3.38Å; F36-I39 WeakPolarHBondContact O-CB 3.26Å; Y37-I39 PolarHBondContact O-N 3.31Å; I39-N41 VanDerWaalsContact C-N 3.3Å; I39-N41 PolarHBondContact O-N 3.49Å; I39-K42 PolarHBondContact O-N 3.25Å; I39-L43 WeakPolarHBondContact O-CB 3.19Å; I39-L43 PolarHBondContact O-N 3.17Å; I39-F50 HydrophobicContact CB-CE2 3.38Å; I39-F50 HydrophobicContact CB-CZ 3.77Å; I39-F50 HydrophobicContact CD1-CE2 3.83Å; I39-F50 HydrophobicContact CD1-CZ 3.6Å; I39-F50 HydrophobicContact CG1-CD2 4.18Å; I39-F50 HydrophobicContact CG1-CE2 3.14Å; I39-F50 HydrophobicContact CG1-CZ 3.47Å; I39-F50 VanDerWaalsContact CG1-CZ 3.47Å; I39-F50 HydrophobicContact CG2-CE2 3.31Å; I39-F50 HydrophobicContact CG2-CZ 3.26Å
40R71.3Confident70Confident172 Ų17299.5 Ų99.565%0.64951%0.511SS*.Hα-helixtrans-66.5-35.7-177.7-174.9163.5157.7169.9-8.5111.3F36 Y37F36-R40 VanDerWaalsContact O-CB 3.24Å; F36-R40 WeakPolarHBondContact O-CB 3.47Å; F36-R40 PolarHBondContact O-N 3.49Å; Y37-R40 PolarHBondContact O-N 3.33Å
41N70.8Confident68.8Low105 Ų105105.3 Ų105.356%0.56152%0.523SS*.Hα-helixtrans-71-40.9174.7-169.367.8000112.8Y37 I38 I39 S44Y37-N41 VanDerWaalsContact O-CB 3.31Å; Y37-N41 WeakPolarHBondContact O-CB 3.26Å; Y37-N41 PolarHBondContact O-N 2.88Å; I38-N41 PolarHBondContact O-N 3.41Å; I39-N41 VanDerWaalsContact C-N 3.3Å; I39-N41 PolarHBondContact O-N 3.49Å; N41-S44 WeakPolarHBondContact O-CB 3.3Å
42K64.2Low67.7Low119 Ų119110.3 Ų110.352%0.51755%0.546SS..Hα-helixtrans-78.1-29.6178.8-71.8-75.8-173.6178.60113.1I38 I39 S44 Q45 N46I38-K42 HydrophobicContact CG2-CG 4.02Å; I38-K42 VanDerWaalsContact O-CB 3.23Å; I38-K42 WeakPolarHBondContact O-CB 3.37Å; I38-K42 VanDerWaalsContact O-CG 3.24Å; I38-K42 WeakPolarHBondContact O-CG 3.31Å; I38-K42 PolarHBondContact O-N 3.44Å; I39-K42 PolarHBondContact O-N 3.25Å; K42-S44 PolarHBondContact O-N 2.8Å; K42-Q45 CarbonylContact O-C 3.48Å; K42-Q45 WeakPolarHBondContact O-CA 3.42Å; K42-Q45 PolarHBondContact O-N 2.86Å; K42-N46 PolarHBondContact O-N 3.35Å
43L61Low67Low95 Ų95108.6 Ų108.650%0.49755%0.549SS..Hα-helixtrans-58.1-35.5171.117360.5000111.4I39 Q45 L47I39-L43 WeakPolarHBondContact O-CB 3.19Å; I39-L43 PolarHBondContact O-N 3.17Å; L43-Q45 PolarHBondContact O-N 3.34Å; L43-L47 HydrophobicContact CD1-CD1 3.12Å
44S60Low66.2Low103 Ų103109.9 Ų109.972%0.7255%0.546SS*.THydrogen-bonded Turntrans-65.5-17.3172-178.10000113.4N41 K42N41-S44 WeakPolarHBondContact O-CB 3.3Å; K42-S44 PolarHBondContact O-N 2.8Å
45Q60.9Low65.4Low142 Ų142108.7 Ų108.766%0.66455%0.548SS*.THydrogen-bonded Turntrans-120.7-34.5-168.7-68.9-143.2-39.400116.3K42 L43K42-Q45 CarbonylContact O-C 3.48Å; K42-Q45 WeakPolarHBondContact O-CA 3.42Å; K42-Q45 PolarHBondContact O-N 2.86Å; L43-Q45 PolarHBondContact O-N 3.34Å
46N58.9Low64.7Low135 Ų135113.9 Ų113.972%0.72257%0.569SS**  trans-176.3133.6170.9-100.5-65.5000112.1K42K42-N46 PolarHBondContact O-N 3.35Å
47L57Low63.8Low111 Ų111114.6 Ų114.658%0.58157%0.57SS**SBendtrans-91.8-9.2-163.2-142.983.8000116.2L43L43-L47 HydrophobicContact CD1-CD1 3.12Å
48S56.4Low63Low108 Ų108108.1 Ų108.176%0.75556%0.558SS**SBendtrans-82.4-46.2-160.749.80000115F50S48-F50 PolarHBondContact O-N 3.04Å
49G58.3Low62.5Low57 Ų57113.7 Ų113.759%0.58857%0.573SS**THydrogen-bonded Turntrans-75-2.1-179.200000115.1
50F57.4Low62.2Low32 Ų32118.4 Ų118.414%0.1460%0.595CS.*Hα-helixtrans-92.7-32.8-162.2172.7-83.2000114.2I39 S48 E52 R54I39-F50 HydrophobicContact CB-CE2 3.38Å; I39-F50 HydrophobicContact CB-CZ 3.77Å; I39-F50 HydrophobicContact CD1-CE2 3.83Å; I39-F50 HydrophobicContact CD1-CZ 3.6Å; I39-F50 HydrophobicContact CG1-CD2 4.18Å; I39-F50 HydrophobicContact CG1-CE2 3.14Å; I39-F50 HydrophobicContact CG1-CZ 3.47Å; I39-F50 VanDerWaalsContact CG1-CZ 3.47Å; I39-F50 HydrophobicContact CG2-CE2 3.31Å; I39-F50 HydrophobicContact CG2-CZ 3.26Å; S48-F50 PolarHBondContact O-N 3.04Å; F50-E52 PolarHBondContact O-N 3.46Å; F50-R54 HydrophobicContact CE1-CB 4.48Å; F50-R54 VanDerWaalsContact CZ-CZ 3.45Å; F50-R54 PolarHBondContact O-N 2.89Å
51R58.4Low61.8Low209 Ų209114 Ų11479%0.78958%0.58SS**Hα-helixtrans-65-29.6-179.5-103.116969.8-178.71.4111.9A55R51-A55 VanDerWaalsContact O-CB 3.26Å; R51-A55 WeakPolarHBondContact O-CB 3.32Å; R51-A55 PolarHBondContact O-N 3.48Å; R51-A55 VanDerWaalsContact O-N 3.07Å
52E61.3Low61.5Low162 Ų162117.3 Ų117.376%0.75759%0.59SS**Hα-helixtrans-73.7-48.8-175.1-147.6172108.600111.8F50 R54 A55 F56F50-E52 PolarHBondContact O-N 3.46Å; E52-R54 VanDerWaalsContact C-N 3.35Å; E52-R54 PolarHBondContact O-N 2.75Å; E52-A55 PolarHBondContact O-N 2.72Å; E52-F56 PolarHBondContact O-N 2.94Å
53T61.9Low61.8Low92 Ų92116.5 Ų116.556%0.56460%0.595SS**Hα-helixtrans-62.9-39.9175.9-45.70000111.9F56 Y57T53-F56 PolarHBondContact O-N 3.41Å; T53-Y57 WeakPolarHBondContact O-CB 3.08Å; T53-Y57 PolarHBondContact O-N 2.78Å
54R64.3Low62.5Low142 Ų142113.7 Ų113.754%0.53659%0.585SS.*Hα-helixtrans-68.3-36179.1-149.8-158.7-74.6-15012.3112.2F50 E52 G58F50-R54 HydrophobicContact CE1-CB 4.48Å; F50-R54 VanDerWaalsContact CZ-CZ 3.45Å; F50-R54 PolarHBondContact O-N 2.89Å; E52-R54 VanDerWaalsContact C-N 3.35Å; E52-R54 PolarHBondContact O-N 2.75Å; R54-G58 WeakPolarHBondContact O-CA 2.93Å; R54-G58 PolarHBondContact O-N 2.67Å
55A64.2Low63Low65 Ų65114.8 Ų114.854%0.53758%0.577SS.*Hα-helixtrans-71.4-38.5177.300000112.3R51 E52 R59R51-A55 VanDerWaalsContact O-CB 3.26Å; R51-A55 WeakPolarHBondContact O-CB 3.32Å; R51-A55 PolarHBondContact O-N 3.48Å; R51-A55 VanDerWaalsContact O-N 3.07Å; E52-A55 PolarHBondContact O-N 2.72Å; A55-R59 PolarHBondContact O-N 2.79Å
56F63.7Low63.8Low156 Ų156111.7 Ų111.768%0.68457%0.571SS**Hα-helixtrans-66.3-50.8175.4-141.6-89.4000110.9E52 T53 G58 R59 E60E52-F56 PolarHBondContact O-N 2.94Å; T53-F56 PolarHBondContact O-N 3.41Å; F56-G58 PolarHBondContact O-N 3.12Å; F56-R59 PolarHBondContact O-N 2.93Å; F56-E60 PolarHBondContact O-N 3.41Å
57Y61.8Low64.7Low113 Ų113110.5 Ų110.544%0.44356%0.564SS.*Hα-helixtrans-67.5-36.9178.7-117.4-97.4000113.3I31 I35 T53 R59 E60 F61I31-Y57 HydrophobicContact CG2-CE1 4.17Å; I35-Y57 HydrophobicContact CD1-CD1 3.97Å; I35-Y57 HydrophobicContact CD1-CE1 3.86Å; I35-Y57 HydrophobicContact CD1-CG 4.38Å; T53-Y57 WeakPolarHBondContact O-CB 3.08Å; T53-Y57 PolarHBondContact O-N 2.78Å; Y57-R59 PolarHBondContact O-N 3.37Å; Y57-E60 PolarHBondContact O-N 2.87Å; Y57-F61 VanDerWaalsContact O-CB 3.26Å; Y57-F61 WeakPolarHBondContact O-CB 3.32Å; Y57-F61 PolarHBondContact O-N 3.37Å
58G62Low65.8Low43 Ų43108.7 Ų108.744%0.44355%0.552SS.*Hα-helixtrans-64.7-27.2178.300000113.5R54 F56 K62R54-G58 WeakPolarHBondContact O-CA 2.93Å; R54-G58 PolarHBondContact O-N 2.67Å; F56-G58 PolarHBondContact O-N 3.12Å; G58-K62 PolarHBondContact O-N 3.33Å
59R65.9Low67Low201 Ų201107.9 Ų107.976%0.75854%0.538SS*.Hα-helixtrans-74.8-45176.3-171.4167168.9165.5-5.5111.5A55 F56 Y57 F61 K62A55-R59 PolarHBondContact O-N 2.79Å; F56-R59 PolarHBondContact O-N 2.93Å; Y57-R59 PolarHBondContact O-N 3.37Å; R59-F61 VanDerWaalsContact C-N 3.26Å; R59-F61 PolarHBondContact O-N 3.22Å; R59-K62 PolarHBondContact O-N 2.77Å
60E65.6Low68.1Low125 Ų125109.2 Ų109.258%0.58454%0.535SS*.Hα-helixtrans-61.5-36.6171.1-58.3-62124.900111.3F56 Y57 K62 T63 A64F56-E60 PolarHBondContact O-N 3.41Å; Y57-E60 PolarHBondContact O-N 2.87Å; E60-K62 VanDerWaalsContact C-N 3.29Å; E60-K62 PolarHBondContact O-N 3.32Å; E60-T63 PolarHBondContact O-N 3.45Å; E60-A64 PolarHBondContact O-N 3.39Å
61F64.1Low69Low79 Ų79110.2 Ų110.235%0.34654%0.542SS..Hα-helixtrans-67.2-25.7-179.8-160.1-95.4000113.4Y32 Y57 R59 T63 A64 K65Y32-F61 HydrophobicContact CD2-CE2 4.1Å; Y32-F61 HydrophobicContact CD2-CZ 4.43Å; Y32-F61 HydrophobicContact CE2-CE2 4.47Å; Y32-F61 HydrophobicContact CE2-CZ 4.47Å; Y57-F61 VanDerWaalsContact O-CB 3.26Å; Y57-F61 WeakPolarHBondContact O-CB 3.32Å; Y57-F61 PolarHBondContact O-N 3.37Å; R59-F61 VanDerWaalsContact C-N 3.26Å; R59-F61 PolarHBondContact O-N 3.22Å; F61-T63 VanDerWaalsContact C-N 3.26Å; F61-T63 PolarHBondContact O-N 2.8Å; F61-A64 PolarHBondContact O-N 3.34Å; F61-K65 HydrophobicContact CD1-CB 4.04Å; F61-K65 HydrophobicContact CE1-CB 4.03Å; F61-K65 HydrophobicContact CE1-CD 4.4Å; F61-K65 HydrophobicContact CE1-CG 4.26Å; F61-K65 WeakPolarHBondContact O-CB 3.46Å; F61-K65 PolarHBondContact O-N 3.33Å
62K64.3Low70Confident175 Ų175104.7 Ų104.776%0.76152%0.524SS*.Hα-helixtrans-62.1-37.4-179.8-169.7174.9-179.6-178.40111.6G58 R59 E60G58-K62 PolarHBondContact O-N 3.33Å; R59-K62 PolarHBondContact O-N 2.77Å; E60-K62 VanDerWaalsContact C-N 3.29Å; E60-K62 PolarHBondContact O-N 3.32Å
63T70Confident70.9Confident102 Ų102101.2 Ų101.263%0.62651%0.509SS*.Hα-helixtrans-78.4-45.6177.2-50.20000110.8E60 F61 K65 S66E60-T63 PolarHBondContact O-N 3.45Å; F61-T63 VanDerWaalsContact C-N 3.26Å; F61-T63 PolarHBondContact O-N 2.8Å; T63-K65 VanDerWaalsContact C-N 3.28Å; T63-K65 PolarHBondContact O-N 3.31Å; T63-S66 PolarHBondContact O-N 3.43Å
64A75.5Confident71.6Confident35 Ų35101.3 Ų101.329%0.28950%0.502SS..Hα-helixtrans-64.2-30.7178.700000113.1E60 F61 S66 L67 F68E60-A64 PolarHBondContact O-N 3.39Å; F61-A64 PolarHBondContact O-N 3.34Å; A64-S66 VanDerWaalsContact C-N 3.35Å; A64-S66 PolarHBondContact O-N 3.33Å; A64-L67 PolarHBondContact O-N 3.41Å; A64-F68 VanDerWaalsContact O-CB 3.32Å; A64-F68 WeakPolarHBondContact O-CB 3.22Å; A64-F68 PolarHBondContact O-N 3.32Å
65K72Confident72Confident126 Ų12695.8 Ų95.855%0.54849%0.487SS..Hα-helixtrans-62.7-39.7178.1-177.1-178-178.4-177.20112.4F61 T63 L69F61-K65 HydrophobicContact CD1-CB 4.04Å; F61-K65 HydrophobicContact CE1-CB 4.03Å; F61-K65 HydrophobicContact CE1-CD 4.4Å; F61-K65 HydrophobicContact CE1-CG 4.26Å; F61-K65 WeakPolarHBondContact O-CB 3.46Å; F61-K65 PolarHBondContact O-N 3.33Å; T63-K65 VanDerWaalsContact C-N 3.28Å; T63-K65 PolarHBondContact O-N 3.31Å; K65-L69 VanDerWaalsContact O-CB 3.25Å; K65-L69 WeakPolarHBondContact O-CB 3.42Å; K65-L69 PolarHBondContact O-N 3.11Å
66S77.4Confident72.5Confident77 Ų7796.7 Ų96.754%0.53848%0.482SS..Hα-helixtrans-65.4-46.3177.2-170.50000110.6T63 A64 L69 V70T63-S66 PolarHBondContact O-N 3.43Å; A64-S66 VanDerWaalsContact C-N 3.35Å; A64-S66 PolarHBondContact O-N 3.33Å; S66-L69 PolarHBondContact O-N 2.66Å; S66-V70 WeakPolarHBondContact O-CG2 2.98Å; S66-V70 PolarHBondContact O-N 3.26Å
67L78.4Confident72.8Confident111 Ų11193.6 Ų93.658%0.58148%0.479SS*.Hα-helixtrans-61.2-50.5176.4-63.3173.4000111.1A64 L69 V70 L71A64-L67 PolarHBondContact O-N 3.41Å; L67-L69 VanDerWaalsContact C-N 3.29Å; L67-L69 PolarHBondContact O-N 3.44Å; L67-V70 PolarHBondContact O-N 3.01Å; L67-L71 WeakPolarHBondContact O-CB 3.41Å; L67-L71 WeakPolarHBondContact O-CG 3.43Å; L67-L71 PolarHBondContact O-N 3.18Å
68F80Confident73Confident72 Ų7291.7 Ų91.732%0.31647%0.471SS..Hα-helixtrans-53.9-46.1175.9176.7-85.3000111.7L25 A64 L71 F72L25-F68 HydrophobicContact CD1-CD2 3.36Å; L25-F68 HydrophobicContact CD1-CE2 3.56Å; L25-F68 HydrophobicContact CD1-CG 4.07Å; L25-F68 HydrophobicContact CD1-CZ 4.36Å; L25-F68 HydrophobicContact CD2-CD2 4.19Å; L25-F68 HydrophobicContact CD2-CE2 3.53Å; L25-F68 HydrophobicContact CD2-CZ 4.21Å; L25-F68 HydrophobicContact CG-CD2 3.44Å; L25-F68 VanDerWaalsContact CG-CD2 3.44Å; L25-F68 HydrophobicContact CG-CE2 3.31Å; L25-F68 HydrophobicContact CG-CZ 4.34Å; A64-F68 VanDerWaalsContact O-CB 3.32Å; A64-F68 WeakPolarHBondContact O-CB 3.22Å; A64-F68 PolarHBondContact O-N 3.32Å; F68-L71 PolarHBondContact O-N 3.33Å; F68-F72 HydrophobicContact CD1-CB 4.39Å; F68-F72 HydrophobicContact CE1-CB 4.14Å; F68-F72 HydrophobicContact CE1-CG 4.32Å; F68-F72 HydrophobicContact CZ-CD2 4.45Å; F68-F72 WeakPolarHBondContact O-CB 3.38Å; F68-F72 PolarHBondContact O-N 2.88Å
69L80.2Confident73.3Confident91 Ų9194 Ų9448%0.47647%0.473SS..Hα-helixtrans-63.6-45.2-178.4-174.5130.5000111.2K65 S66 L67 F72 L73K65-L69 VanDerWaalsContact O-CB 3.25Å; K65-L69 WeakPolarHBondContact O-CB 3.42Å; K65-L69 PolarHBondContact O-N 3.11Å; S66-L69 PolarHBondContact O-N 2.66Å; L67-L69 VanDerWaalsContact C-N 3.29Å; L67-L69 PolarHBondContact O-N 3.44Å; L69-F72 PolarHBondContact O-N 3.39Å; L69-L73 HydrophobicContact CD2-CD1 3.46Å; L69-L73 VanDerWaalsContact CD2-CD1 3.46Å; L69-L73 HydrophobicContact CG-CD1 3.89Å; L69-L73 VanDerWaalsContact O-CB 3.32Å; L69-L73 WeakPolarHBondContact O-CB 3.44Å; L69-L73 WeakPolarHBondContact O-CD1 3.28Å; L69-L73 WeakPolarHBondContact O-CG 3.13Å; L69-L73 PolarHBondContact O-N 2.89Å
70V81.8Confident73.4Confident86 Ų8687.3 Ų87.352%0.52146%0.456SS..Hα-helixtrans-61.8-45.4175.7173.10000111.1S66 L67 L73 F74S66-V70 WeakPolarHBondContact O-CG2 2.98Å; S66-V70 PolarHBondContact O-N 3.26Å; L67-V70 PolarHBondContact O-N 3.01Å; V70-L73 PolarHBondContact O-N 3.25Å; V70-F74 VanDerWaalsContact O-CB 3.28Å; V70-F74 WeakPolarHBondContact O-CB 3.07Å; V70-F74 PolarHBondContact O-N 2.85Å
71L77.3Confident73.3Confident52 Ų5285.3 Ų85.327%0.27245%0.448SS..Hα-helixtrans-66.1-39.4179.2-65.7173.3000112.2I21 L25 L67 F68 F74 A75I21-L71 HydrophobicContact CB-CD2 4.43Å; I21-L71 HydrophobicContact CD1-CD2 4.07Å; I21-L71 HydrophobicContact CG1-CD2 4.28Å; I21-L71 HydrophobicContact CG2-CB 3.95Å; I21-L71 HydrophobicContact CG2-CD1 3.84Å; I21-L71 HydrophobicContact CG2-CD2 3.33Å; I21-L71 HydrophobicContact CG2-CG 3.84Å; L25-L71 HydrophobicContact CD1-CB 4.01Å; L67-L71 WeakPolarHBondContact O-CB 3.41Å; L67-L71 WeakPolarHBondContact O-CG 3.43Å; L67-L71 PolarHBondContact O-N 3.18Å; F68-L71 PolarHBondContact O-N 3.33Å; L71-F74 PolarHBondContact O-N 2.83Å; L71-A75 WeakPolarHBondContact O-CB 3.17Å; L71-A75 PolarHBondContact O-N 3.48Å
72F77.6Confident73.3Confident94 Ų9483.6 Ų83.641%0.41245%0.446SS..Hα-helixtrans-68.2-44177.3-178.3-104.6000111.6F68 L69 F74 A75 L76F68-F72 HydrophobicContact CD1-CB 4.39Å; F68-F72 HydrophobicContact CE1-CB 4.14Å; F68-F72 HydrophobicContact CE1-CG 4.32Å; F68-F72 HydrophobicContact CZ-CD2 4.45Å; F68-F72 WeakPolarHBondContact O-CB 3.38Å; F68-F72 PolarHBondContact O-N 2.88Å; L69-F72 PolarHBondContact O-N 3.39Å; F72-F74 VanDerWaalsContact C-N 3.31Å; F72-F74 PolarHBondContact O-N 3.39Å; F72-A75 PolarHBondContact O-N 2.89Å; F72-L76 HydrophobicContact CD1-CD1 3.69Å; F72-L76 HydrophobicContact CD1-CG 4.18Å; F72-L76 HydrophobicContact CE1-CD1 3.12Å; F72-L76 HydrophobicContact CE1-CG 3.84Å; F72-L76 HydrophobicContact CE2-CD1 4.37Å; F72-L76 HydrophobicContact CE2-CG 4.26Å; F72-L76 HydrophobicContact CZ-CD1 3.52Å; F72-L76 HydrophobicContact CZ-CD2 4.25Å; F72-L76 HydrophobicContact CZ-CG 3.87Å; F72-L76 VanDerWaalsContact O-CB 3.29Å; F72-L76 WeakPolarHBondContact O-CB 3.06Å; F72-L76 WeakPolarHBondContact O-CG 3.37Å; F72-L76 PolarHBondContact O-N 3.23Å
73L81.9Confident73.4Confident88 Ų8879.7 Ų79.746%0.46143%0.432SS..Hα-helixtrans-61.2-41.6172.1-84.7153.4000111.4L69 V70 L76 C77L69-L73 HydrophobicContact CD2-CD1 3.46Å; L69-L73 VanDerWaalsContact CD2-CD1 3.46Å; L69-L73 HydrophobicContact CG-CD1 3.89Å; L69-L73 VanDerWaalsContact O-CB 3.32Å; L69-L73 WeakPolarHBondContact O-CB 3.44Å; L69-L73 WeakPolarHBondContact O-CD1 3.28Å; L69-L73 WeakPolarHBondContact O-CG 3.13Å; L69-L73 PolarHBondContact O-N 2.89Å; V70-L73 PolarHBondContact O-N 3.25Å; L73-L76 PolarHBondContact O-N 3.31Å; L73-C77 WeakPolarHBondContact O-CB 3.31Å; L73-C77 PolarHBondContact O-N 3.04Å
74F75.3Confident73.1Confident95 Ų9580.1 Ų80.142%0.41743%0.43SS..Hα-helixtrans-61.7-47.8176.6-167.8-104000111F14 V70 L71 F72 C77 W78F14-F74 AromaticContact CE2-CE1 3.39Å; F14-F74 HydrophobicContact CE2-CE1 3.39Å; F14-F74 AromaticContact CE2-CZ 3.58Å; F14-F74 HydrophobicContact CE2-CZ 3.58Å; F14-F74 HydrophobicContact CZ-CD1 4.18Å; F14-F74 AromaticContact CZ-CE1 3.39Å; F14-F74 HydrophobicContact CZ-CE1 3.39Å; F14-F74 AromaticContact CZ-CZ 3.96Å; F14-F74 HydrophobicContact CZ-CZ 3.96Å; V70-F74 VanDerWaalsContact O-CB 3.28Å; V70-F74 WeakPolarHBondContact O-CB 3.07Å; V70-F74 PolarHBondContact O-N 2.85Å; L71-F74 PolarHBondContact O-N 2.83Å; F72-F74 VanDerWaalsContact C-N 3.31Å; F72-F74 PolarHBondContact O-N 3.39Å; F74-C77 PolarHBondContact O-N 2.88Å; F74-W78 HydrophobicContact CE1-CE3 4.41Å; F74-W78 HydrophobicContact CE2-CE3 4.49Å; F74-W78 HydrophobicContact CZ-CE3 4.12Å; F74-W78 HydrophobicContact CZ-CZ3 4.07Å; F74-W78 VanDerWaalsContact O-CB 3.24Å; F74-W78 WeakPolarHBondContact O-CB 3.4Å; F74-W78 PolarHBondContact O-N 3.48Å
75A73.3Confident72.3Confident26 Ų2681.5 Ų81.522%0.21543%0.432CS..Hα-helixtrans-62.2-43.7174.800000112.4L71 F72 W78 L79L71-A75 WeakPolarHBondContact O-CB 3.17Å; L71-A75 PolarHBondContact O-N 3.48Å; F72-A75 PolarHBondContact O-N 2.89Å; A75-W78 PolarHBondContact O-N 3.33Å; A75-L79 WeakPolarHBondContact O-CB 3.24Å; A75-L79 PolarHBondContact O-N 3.32Å
76L74.5Confident71.8Confident83 Ų8381.3 Ų81.344%0.43543%0.432SS..Hα-helixtrans-68.8-32.6179.2-83.4-173.4000113.8F72 L73 W78 P80F72-L76 HydrophobicContact CD1-CD1 3.69Å; F72-L76 HydrophobicContact CD1-CG 4.18Å; F72-L76 HydrophobicContact CE1-CD1 3.12Å; F72-L76 HydrophobicContact CE1-CG 3.84Å; F72-L76 HydrophobicContact CE2-CD1 4.37Å; F72-L76 HydrophobicContact CE2-CG 4.26Å; F72-L76 HydrophobicContact CZ-CD1 3.52Å; F72-L76 HydrophobicContact CZ-CD2 4.25Å; F72-L76 HydrophobicContact CZ-CG 3.87Å; F72-L76 VanDerWaalsContact O-CB 3.29Å; F72-L76 WeakPolarHBondContact O-CB 3.06Å; F72-L76 WeakPolarHBondContact O-CG 3.37Å; F72-L76 PolarHBondContact O-N 3.23Å; L73-L76 PolarHBondContact O-N 3.31Å; L76-W78 VanDerWaalsContact C-N 3.33Å; L76-P80 WeakPolarHBondContact O-CD 3.12Å; L76-P80 WeakPolarHBondContact O-CG 3.49Å
77C69.6Low71Confident91 Ų9181.9 Ų81.962%0.61543%0.432SS*.Hα-helixtrans-75.7-28.3172.1-78.80000111.2L73 F74 P80L73-C77 WeakPolarHBondContact O-CB 3.31Å; L73-C77 PolarHBondContact O-N 3.04Å; F74-C77 PolarHBondContact O-N 2.88Å; C77-P80 WeakPolarHBondContact O-CD 3.44Å; C77-P80 WeakPolarHBondContact O-CG 3.22Å
78W66Low70.1Confident74 Ų7480 Ų8028%0.2843%0.428SS..Hα-helixtrans-82.6-29.6179.3-152-83.6000113.8F14 F74 A75 L76 L81 S82F14-W78 HydrophobicContact CB-CZ2 4.38Å; F14-W78 AromaticContact CD1-CD1 3.74Å; F14-W78 HydrophobicContact CD1-CD2 4.05Å; F14-W78 AromaticContact CD1-CE2 3.36Å; F14-W78 HydrophobicContact CD1-CG 4.24Å; F14-W78 AromaticContact CD1-CZ2 3.65Å; F14-W78 HydrophobicContact CD1-CZ2 3.65Å; F14-W78 AromaticContact CD1-NE1 3.21Å; F14-W78 HydrophobicContact CD2-CD2 4.27Å; F14-W78 AromaticContact CD2-CE2 3.74Å; F14-W78 HydrophobicContact CD2-CE3 4.36Å; F14-W78 AromaticContact CD2-CH2 3.38Å; F14-W78 HydrophobicContact CD2-CH2 3.38Å; F14-W78 AromaticContact CD2-CZ2 3.27Å; F14-W78 HydrophobicContact CD2-CZ2 3.27Å; F14-W78 AromaticContact CD2-CZ3 3.95Å; F14-W78 HydrophobicContact CD2-CZ3 3.95Å; F14-W78 HydrophobicContact CE1-CB 4.17Å; F14-W78 AromaticContact CE1-CD1 3.06Å; F14-W78 AromaticContact CE1-CD2 3.24Å; F14-W78 HydrophobicContact CE1-CD2 3.24Å; F14-W78 AromaticContact CE1-CE2 3.06Å; F14-W78 HydrophobicContact CE1-CE3 4.03Å; F14-W78 AromaticContact CE1-CG 3.25Å; F14-W78 HydrophobicContact CE1-CG 3.25Å; F14-W78 HydrophobicContact CE1-CH2 4.4Å; F14-W78 AromaticContact CE1-CZ2 3.72Å; F14-W78 HydrophobicContact CE1-CZ2 3.72Å; F14-W78 AromaticContact CE1-NE1 2.99Å; F14-W78 AromaticContact CE2-CD2 3.5Å; F14-W78 HydrophobicContact CE2-CD2 3.5Å; F14-W78 VanDerWaalsContact CE2-CD2 3.5Å; F14-W78 AromaticContact CE2-CE2 3.45Å; F14-W78 VanDerWaalsContact CE2-CE2 3.45Å; F14-W78 AromaticContact CE2-CE3 3.4Å; F14-W78 HydrophobicContact CE2-CE3 3.4Å; F14-W78 HydrophobicContact CE2-CG 4.32Å; F14-W78 AromaticContact CE2-CH2 3.2Å; F14-W78 HydrophobicContact CE2-CH2 3.2Å; F14-W78 AromaticContact CE2-CZ2 3.32Å; F14-W78 HydrophobicContact CE2-CZ2 3.32Å; F14-W78 AromaticContact CE2-CZ3 3.25Å; F14-W78 HydrophobicContact CE2-CZ3 3.25Å; F14-W78 AromaticContact CG-CE2 3.7Å; F14-W78 HydrophobicContact CG-CH2 4.07Å; F14-W78 AromaticContact CG-CZ2 3.45Å; F14-W78 HydrophobicContact CG-CZ2 3.45Å; F14-W78 VanDerWaalsContact CG-CZ2 3.45Å; F14-W78 AromaticContact CG-NE1 3.97Å; F14-W78 HydrophobicContact CZ-CB 4.07Å; F14-W78 AromaticContact CZ-CD1 3.65Å; F14-W78 AromaticContact CZ-CD2 2.92Å; F14-W78 HydrophobicContact CZ-CD2 2.92Å; F14-W78 AromaticContact CZ-CE2 3.13Å; F14-W78 AromaticContact CZ-CE3 3.21Å; F14-W78 HydrophobicContact CZ-CE3 3.21Å; F14-W78 AromaticContact CZ-CG 3.31Å; F14-W78 HydrophobicContact CZ-CG 3.31Å; F14-W78 AromaticContact CZ-CH2 3.8Å; F14-W78 HydrophobicContact CZ-CH2 3.8Å; F14-W78 AromaticContact CZ-CZ2 3.57Å; F14-W78 HydrophobicContact CZ-CZ2 3.57Å; F14-W78 AromaticContact CZ-CZ3 3.64Å; F14-W78 HydrophobicContact CZ-CZ3 3.64Å; F14-W78 AromaticContact CZ-NE1 3.6Å; F74-W78 HydrophobicContact CE1-CE3 4.41Å; F74-W78 HydrophobicContact CE2-CE3 4.49Å; F74-W78 HydrophobicContact CZ-CE3 4.12Å; F74-W78 HydrophobicContact CZ-CZ3 4.07Å; F74-W78 VanDerWaalsContact O-CB 3.24Å; F74-W78 WeakPolarHBondContact O-CB 3.4Å; F74-W78 PolarHBondContact O-N 3.48Å; A75-W78 PolarHBondContact O-N 3.33Å; L76-W78 VanDerWaalsContact C-N 3.33Å; W78-L81 PolarHBondContact O-N 3.31Å; W78-S82 VanDerWaalsContact O-CB 3.31Å; W78-S82 WeakPolarHBondContact O-CB 3.37Å; W78-S82 PolarHBondContact O-N 2.83Å; W78-S82 PolarHBondContact O-OG 3.24Å
79L69.3Low68.9Low91 Ų9181.8 Ų81.848%0.47643%0.434SS..Hα-helixtrans-56.2-52.7175.7-127.8156.5000112.9A75 L81 S82 I83A75-L79 WeakPolarHBondContact O-CB 3.24Å; A75-L79 PolarHBondContact O-N 3.32Å; L79-L81 VanDerWaalsContact C-N 3.33Å; L79-L81 PolarHBondContact O-N 3.21Å; L79-S82 CarbonylContact O-C 3.6Å; L79-S82 PolarHBondContact O-N 3.34Å; L79-I83 HydrophobicContact CD2-CD1 3.49Å; L79-I83 VanDerWaalsContact CD2-CD1 3.49Å; L79-I83 HydrophobicContact CD2-CG1 4.08Å; L79-I83 WeakPolarHBondContact O-CB 3.4Å; L79-I83 WeakPolarHBondContact O-CG1 3.29Å; L79-I83 PolarHBondContact O-N 2.76Å
80P66.5Low67.7Low61 Ų6179.8 Ų79.840%0.39642%0.421SS..Hα-helixtrans-66.7-35.1176.925.1-32000111.4L76 C77 S82 I83 I84L76-P80 WeakPolarHBondContact O-CD 3.12Å; L76-P80 WeakPolarHBondContact O-CG 3.49Å; C77-P80 WeakPolarHBondContact O-CD 3.44Å; C77-P80 WeakPolarHBondContact O-CG 3.22Å; P80-S82 VanDerWaalsContact C-N 3.31Å; P80-S82 PolarHBondContact O-N 3.34Å; P80-I83 PolarHBondContact O-N 2.83Å; P80-I84 VanDerWaalsContact O-CB 3.28Å; P80-I84 WeakPolarHBondContact O-CB 3.44Å; P80-I84 WeakPolarHBondContact O-CD1 3.25Å; P80-I84 WeakPolarHBondContact O-CG1 3.32Å; P80-I84 PolarHBondContact O-N 3.36Å
81L65.3Low66.4Low83 Ų8382.4 Ų82.444%0.43543%0.432SS..Hα-helixtrans-65.4-37.2174.7-162.676.2000111.8W78 L79 N85W78-L81 PolarHBondContact O-N 3.31Å; L79-L81 VanDerWaalsContact C-N 3.33Å; L79-L81 PolarHBondContact O-N 3.21Å; L81-N85 VanDerWaalsContact O-CB 3.32Å; L81-N85 WeakPolarHBondContact O-CB 3.18Å; L81-N85 PolarHBondContact O-N 2.77Å; L81-N85 PolarHBondContact O-ND2 3.23Å; L81-N85 VanDerWaalsContact O-ND2 3.1Å
82S63.7Low65.1Low43 Ų4385.4 Ų85.430%0.30145%0.452SS..Hα-helixtrans-71.6-41.1174.8-600000111.4W78 L79 P80 F86W78-S82 VanDerWaalsContact O-CB 3.31Å; W78-S82 WeakPolarHBondContact O-CB 3.37Å; W78-S82 PolarHBondContact O-N 2.83Å; W78-S82 PolarHBondContact O-OG 3.24Å; L79-S82 CarbonylContact O-C 3.6Å; L79-S82 PolarHBondContact O-N 3.34Å; P80-S82 VanDerWaalsContact C-N 3.31Å; P80-S82 PolarHBondContact O-N 3.34Å; S82-F86 WeakPolarHBondContact O-CA 3.45Å; S82-F86 WeakPolarHBondContact O-CB 3.32Å; S82-F86 PolarHBondContact O-N 2.78Å
83I65.4Low63.6Low92 Ų9288 Ų8847%0.47246%0.463SS..Hα-helixtrans-63.9-45.8174.6-69.7165.2000109.9L79 P80 F86 V87L79-I83 HydrophobicContact CD2-CD1 3.49Å; L79-I83 VanDerWaalsContact CD2-CD1 3.49Å; L79-I83 HydrophobicContact CD2-CG1 4.08Å; L79-I83 WeakPolarHBondContact O-CB 3.4Å; L79-I83 WeakPolarHBondContact O-CG1 3.29Å; L79-I83 PolarHBondContact O-N 2.76Å; P80-I83 PolarHBondContact O-N 2.83Å; I83-F86 PolarHBondContact O-N 3.47Å; I83-V87 HydrophobicContact CG2-CG2 4.18Å; I83-V87 VanDerWaalsContact O-CB 3.32Å; I83-V87 WeakPolarHBondContact O-CB 3.37Å; I83-V87 WeakPolarHBondContact O-CG2 3.48Å; I83-V87 PolarHBondContact O-N 2.82Å
84I64.6Low62Low111 Ų11191.1 Ų91.157%0.56948%0.479SS*.Hα-helixtrans-64.6-44.4178.3-68.9163.3000110.6P80 F86 V87 S88P80-I84 VanDerWaalsContact O-CB 3.28Å; P80-I84 WeakPolarHBondContact O-CB 3.44Å; P80-I84 WeakPolarHBondContact O-CD1 3.25Å; P80-I84 WeakPolarHBondContact O-CG1 3.32Å; P80-I84 PolarHBondContact O-N 3.36Å; I84-F86 VanDerWaalsContact C-N 3.33Å; I84-V87 PolarHBondContact O-N 3.31Å; I84-S88 WeakPolarHBondContact O-CB 3.2Å; I84-S88 PolarHBondContact O-N 3.36Å
85N59.3Low60.9Low64 Ų6489.6 Ų89.634%0.34248%0.478SS..Hα-helixtrans-65.4-36.7173.8-91.6-66.3000112.4Y11 L81 Y89Y11-N85 HydrophobicContact CE1-CB 4.48Å; Y11-N85 PolarHBondContact OH-ND2 2.92Å; Y11-N85 PolarHBondContact OH-OD1 3.45Å; L81-N85 VanDerWaalsContact O-CB 3.32Å; L81-N85 WeakPolarHBondContact O-CB 3.18Å; L81-N85 PolarHBondContact O-N 2.77Å; L81-N85 PolarHBondContact O-ND2 3.23Å; L81-N85 VanDerWaalsContact O-ND2 3.1Å; N85-Y89 WeakPolarHBondContact O-CB 3.32Å; N85-Y89 PolarHBondContact O-N 2.81Å
86F60.8Low60Low122 Ų12294.9 Ų94.954%0.53550%0.503SS..Hα-helixtrans-67.5-45177.3-172.3-96.4000111.2S82 I83 I84 Y89 F90S82-F86 WeakPolarHBondContact O-CA 3.45Å; S82-F86 WeakPolarHBondContact O-CB 3.32Å; S82-F86 PolarHBondContact O-N 2.78Å; I83-F86 PolarHBondContact O-N 3.47Å; I84-F86 VanDerWaalsContact C-N 3.33Å; F86-Y89 PolarHBondContact O-N 3.46Å; F86-F90 HydrophobicContact CD1-CD2 4.24Å; F86-F90 AromaticContact CE1-CD2 3.65Å; F86-F90 HydrophobicContact CE1-CD2 3.65Å; F86-F90 HydrophobicContact CE1-CE2 4.1Å; F86-F90 HydrophobicContact CE2-CD2 4.26Å; F86-F90 HydrophobicContact CE2-CE2 4.33Å; F86-F90 AromaticContact CZ-CD2 3.67Å; F86-F90 HydrophobicContact CZ-CD2 3.67Å; F86-F90 AromaticContact CZ-CE2 3.71Å; F86-F90 HydrophobicContact CZ-CE2 3.71Å; F86-F90 WeakPolarHBondContact O-CB 2.77Å; F86-F90 PolarHBondContact O-N 2.99Å
87V60.9Low59.1Low89 Ų8996 Ų9654%0.53951%0.513SS..Hα-helixtrans-63.5-46.8175.4169.90000110.4I83 I84 Y89 F90 D91I83-V87 HydrophobicContact CG2-CG2 4.18Å; I83-V87 VanDerWaalsContact O-CB 3.32Å; I83-V87 WeakPolarHBondContact O-CB 3.37Å; I83-V87 WeakPolarHBondContact O-CG2 3.48Å; I83-V87 PolarHBondContact O-N 2.82Å; I84-V87 PolarHBondContact O-N 3.31Å; V87-Y89 VanDerWaalsContact C-N 3.31Å; V87-Y89 PolarHBondContact O-N 2.78Å; V87-F90 PolarHBondContact O-N 3.47Å; V87-D91 WeakPolarHBondContact O-CB 3.42Å; V87-D91 PolarHBondContact O-N 3.36Å
88S59.6Low58.3Low72 Ų7292.8 Ų92.850%0.50349%0.493SS..Hα-helixtrans-66.1-32177-173.50000112.8I84I84-S88 WeakPolarHBondContact O-CB 3.2Å; I84-S88 PolarHBondContact O-N 3.36Å
89Y54.5Low57.8Low110 Ų11096 Ų9643%0.43151%0.513SS..Hα-helixtrans-71.6-39172.6-179.9-95.6000112.1R4 N85 F86 V87 D91 V92R4-Y89 PolarHBondContact NE-OH 2.88Å; R4-Y89 PolarHBondContact NH1-OH 3.28Å; R4-Y89 PolarHBondContact NH2-OH 2.76Å; N85-Y89 WeakPolarHBondContact O-CB 3.32Å; N85-Y89 PolarHBondContact O-N 2.81Å; F86-Y89 PolarHBondContact O-N 3.46Å; V87-Y89 VanDerWaalsContact C-N 3.31Å; V87-Y89 PolarHBondContact O-N 2.78Å; Y89-D91 VanDerWaalsContact C-N 3.3Å; Y89-V92 PolarHBondContact O-N 3.21Å
90F55Low57.1Low49 Ų4996.1 Ų96.122%0.21552%0.521CS..Hα-helixtrans-67.8-30.9175.9-118.6-77.8000112.8F86 V87 V92 A98F86-F90 HydrophobicContact CD1-CD2 4.24Å; F86-F90 AromaticContact CE1-CD2 3.65Å; F86-F90 HydrophobicContact CE1-CD2 3.65Å; F86-F90 HydrophobicContact CE1-CE2 4.1Å; F86-F90 HydrophobicContact CE2-CD2 4.26Å; F86-F90 HydrophobicContact CE2-CE2 4.33Å; F86-F90 AromaticContact CZ-CD2 3.67Å; F86-F90 HydrophobicContact CZ-CD2 3.67Å; F86-F90 AromaticContact CZ-CE2 3.71Å; F86-F90 HydrophobicContact CZ-CE2 3.71Å; F86-F90 WeakPolarHBondContact O-CB 2.77Å; F86-F90 PolarHBondContact O-N 2.99Å; V87-F90 PolarHBondContact O-N 3.47Å; F90-V92 VanDerWaalsContact C-N 3.26Å; F90-V92 PolarHBondContact O-N 3.5Å; F90-A98 HydrophobicContact CD1-CB 3.95Å; F90-A98 HydrophobicContact CD2-CB 4.25Å; F90-A98 HydrophobicContact CE1-CB 3.18Å; F90-A98 HydrophobicContact CE2-CB 3.51Å; F90-A98 HydrophobicContact CG-CB 4.45Å; F90-A98 HydrophobicContact CZ-CB 2.95Å
91D54Low56.7Low140 Ų14098.5 Ų98.575%0.74953%0.529SS*.THydrogen-bonded Turntrans-71.4-18177.4-150.1-113.9000113.1V87 Y89V87-D91 WeakPolarHBondContact O-CB 3.42Å; V87-D91 PolarHBondContact O-N 3.36Å; Y89-D91 VanDerWaalsContact C-N 3.3Å
92V50.9Low56.1Low115 Ų11596.3 Ų96.370%0.69753%0.527SS*.THydrogen-bonded Turntrans-104.3-6.1-178.7179.80000113.8Y89 F90Y89-V92 PolarHBondContact O-N 3.21Å; F90-V92 VanDerWaalsContact C-N 3.26Å; F90-V92 PolarHBondContact O-N 3.5Å
93K46.1Very low56Low149 Ų14999.7 Ų99.765%0.64854%0.54SS*.  trans-166.1112.4167.9-112.1153.3-177.6176.60109.4P95K93-P95 WeakPolarHBondContact O-CD 3.43Å
94I48.4Very low55.2Low153 Ų153101.7 Ų101.779%0.78555%0.552SS**  trans-76.9114.5167.7-57.1165.4000107.9
95P51.8Low54.2Low63 Ų63103.6 Ų103.641%0.40956%0.562SS.*  trans-112.1144.2148.336-32000109.6K93 V97 A98K93-P95 WeakPolarHBondContact O-CD 3.43Å; P95-V97 HydrophobicContact CB-CG2 4.26Å; P95-V97 HydrophobicContact CG-CG2 3.99Å; P95-V97 PolarHBondContact O-N 3.42Å; P95-A98 PolarHBondContact O-N 2.95Å
96D54Low53.4Low138 Ų138105.9 Ų105.974%0.73858%0.583SS**THydrogen-bonded Turntrans-46.2-17.1-172.4-65.4-97.8000117.4A98 M99D96-A98 PolarHBondContact O-N 2.93Å; D96-M99 PolarHBondContact O-N 2.87Å
97V55.5Low52.4Low105 Ų105110.6 Ų110.664%0.63661%0.606SS**Hα-helixtrans-67.3-29.5-176.9-88.90000115.1P95 L101P95-V97 HydrophobicContact CB-CG2 4.26Å; P95-V97 HydrophobicContact CG-CG2 3.99Å; P95-V97 PolarHBondContact O-N 3.42Å; V97-L101 PolarHBondContact O-N 2.77Å
98A53.4Low51.9Low24 Ų24111.7 Ų111.720%0.19861%0.609CS.*Hα-helixtrans-84.4-17.9175.200000114.6F90 P95 D96 C100 L101 G102F90-A98 HydrophobicContact CD1-CB 3.95Å; F90-A98 HydrophobicContact CD2-CB 4.25Å; F90-A98 HydrophobicContact CE1-CB 3.18Å; F90-A98 HydrophobicContact CE2-CB 3.51Å; F90-A98 HydrophobicContact CG-CB 4.45Å; F90-A98 HydrophobicContact CZ-CB 2.95Å; P95-A98 PolarHBondContact O-N 2.95Å; D96-A98 PolarHBondContact O-N 2.93Å; A98-C100 VanDerWaalsContact C-N 3.28Å; A98-L101 PolarHBondContact O-N 3.49Å; A98-G102 PolarHBondContact O-N 2.77Å
99M55.2Low51.5Low143 Ų143113.7 Ų113.770%0.70462%0.615SS**Hα-helixtrans-64-42.2170.5-164.2169-174.900109.3D96 I103D96-M99 PolarHBondContact O-N 2.87Å; M99-I103 HydrophobicContact CG-CD1 4.31Å; M99-I103 VanDerWaalsContact O-CD1 3.3Å; M99-I103 WeakPolarHBondContact O-CD1 3.33Å; M99-I103 WeakPolarHBondContact O-CG1 3.48Å; M99-I103 PolarHBondContact O-N 2.78Å; M99-I103 VanDerWaalsContact O-N 3.17Å
100C53.7Low51.4Low93 Ų93113.9 Ų113.963%0.62863%0.625SS**Hα-helixtrans-64.6-41.3171.9-92.60000113.7A98 I103 L104A98-C100 VanDerWaalsContact C-N 3.28Å; C100-I103 PolarHBondContact O-N 2.95Å; C100-L104 WeakPolarHBondContact O-CB 3.11Å; C100-L104 PolarHBondContact O-N 3.36Å
101L58.9Low51.1Low110 Ų110117.8 Ų117.858%0.57665%0.649SS**Hα-helixtrans-70-36.9-178.7-126.3154.3000112.2V97 A98 L104 L105V97-L101 PolarHBondContact O-N 2.77Å; A98-L101 PolarHBondContact O-N 3.49Å; L101-L104 PolarHBondContact O-N 2.88Å; L101-L105 WeakPolarHBondContact O-CB 3.37Å; L101-L105 PolarHBondContact O-N 3.39Å
102G53.5Low51Low38 Ų38116.4 Ų116.439%0.39264%0.643SS.*Hα-helixtrans-67.6-36.3174.100000113.4A98 S106A98-G102 PolarHBondContact O-N 2.77Å; G102-S106 WeakPolarHBondContact O-CB 3.28Å; G102-S106 PolarHBondContact O-N 2.82Å; G102-S106 PolarHBondContact O-OG 2.83Å
103I60.6Low51Low113 Ų113116.5 Ų116.558%0.57964%0.639SS**Hα-helixtrans-68.9-41.7174.3-67164.6000110.8M99 C100 L105 S106 H107M99-I103 HydrophobicContact CG-CD1 4.31Å; M99-I103 VanDerWaalsContact O-CD1 3.3Å; M99-I103 WeakPolarHBondContact O-CD1 3.33Å; M99-I103 WeakPolarHBondContact O-CG1 3.48Å; M99-I103 PolarHBondContact O-N 2.78Å; M99-I103 VanDerWaalsContact O-N 3.17Å; C100-I103 PolarHBondContact O-N 2.95Å; I103-L105 PolarHBondContact O-N 2.92Å; I103-S106 PolarHBondContact O-N 3.41Å; I103-H107 PolarHBondContact O-N 3.1Å
104L49.2Very low51.3Low135 Ų135114.1 Ų114.171%0.70764%0.639SS**Hα-helixtrans-70.2-30.2179.7-161.977.5000113.1C100 L101 S106 H107C100-L104 WeakPolarHBondContact O-CB 3.11Å; C100-L104 PolarHBondContact O-N 3.36Å; L101-L104 PolarHBondContact O-N 2.88Å; L104-S106 VanDerWaalsContact C-N 3.34Å; L104-H107 VanDerWaalsContact O-OXT 3.08Å
105L42.3Very low51.5Low151 Ų151111.2 Ų111.279%0.79163%0.628SS**Hα-helixtrans-82.1-16.3178.2-154.176.4000112.7L101 I103L101-L105 WeakPolarHBondContact O-CB 3.37Å; L101-L105 PolarHBondContact O-N 3.39Å; I103-L105 PolarHBondContact O-N 2.92Å
106S42.8Very low51.5Low111 Ų111115.2 Ų115.278%0.77665%0.646SS**  trans-94.40.2177-59.80000113G102 I103 L104G102-S106 WeakPolarHBondContact O-CB 3.28Å; G102-S106 PolarHBondContact O-N 2.82Å; G102-S106 PolarHBondContact O-OG 2.83Å; I103-S106 PolarHBondContact O-N 3.41Å; L104-S106 VanDerWaalsContact C-N 3.34Å
107H39.3Very low51.3Low221 Ų221113.1 Ų113.1100%1.02364%0.637SS**  trans-116.50169.6-169.3-59.2000109.6I103 L104I103-H107 PolarHBondContact O-N 3.1Å; L104-H107 VanDerWaalsContact O-OXT 3.08Å

Retrieved 107 of 107 residues in 228 ms (Link to these results)

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