A0A060X2N9_ONCMY Loading...

Mitochondrial inner membrane protein Mpv17

AlphaFold DB , UniProt , Accession A0A060X2N9, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110522264, Length 177 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
1M49.7Very low60.8Low210 Ų210108.1 Ų108.1100%1.03457%0.57SS**  0-51.50-68-69.7-12000113.1G3 W5M1-G3 PolarHBondContact O-N 3.38Å; M1-W5 PolarHBondContact O-N 3.29Å
2A55.4Low60.8Low72 Ų72106.8 Ų106.860%0.59556%0.561SS**Hα-helixtrans-66-30.6-178.900000115.3R6A2-R6 WeakPolarHBondContact O-CG 3.38Å; A2-R6 PolarHBondContact O-N 2.91Å; A2-R6 VanDerWaalsContact O-N 3.09Å
3G63.6Low60.9Low46 Ų46107.7 Ų107.747%0.47457%0.573SS.*Hα-helixtrans-66.9-47.1177.400000113.2M1 W5 R6 S7M1-G3 PolarHBondContact O-N 3.38Å; G3-W5 VanDerWaalsContact C-N 3.31Å; G3-W5 PolarHBondContact O-N 3.35Å; G3-R6 PolarHBondContact O-N 2.99Å; G3-S7 WeakPolarHBondContact O-CB 3.45Å; G3-S7 PolarHBondContact O-N 2.86Å; G3-S7 PolarHBondContact O-OG 3.23Å; G3-S7 VanDerWaalsContact O-OG 3.07Å
4L64.4Low61.5Low136 Ų136115.2 Ų115.271%0.71259%0.59SS**Hα-helixtrans-60.9-40.2177-75.9165.9000112S7 Y8L4-S7 PolarHBondContact O-N 3.46Å; L4-Y8 VanDerWaalsContact O-CB 3.26Å; L4-Y8 WeakPolarHBondContact O-CB 3.33Å; L4-Y8 PolarHBondContact O-N 3.09Å
5W61.6Low61.9Low144 Ų144115.2 Ų115.255%0.54559%0.586SS.*Hα-helixtrans-64.8-43.2176.1-174.3-102000112.3M1 G3 Y8 Q9M1-W5 PolarHBondContact O-N 3.29Å; G3-W5 VanDerWaalsContact C-N 3.31Å; G3-W5 PolarHBondContact O-N 3.35Å; W5-Y8 PolarHBondContact O-N 3.4Å; W5-Q9 WeakPolarHBondContact O-CB 3.48Å; W5-Q9 WeakPolarHBondContact O-CG 3.45Å; W5-Q9 PolarHBondContact O-N 3.44Å
6R61.9Low62.4Low186 Ų186112 Ų11270%0.70258%0.575SS**Hα-helixtrans-66.2-41.1175.7-76.5179.3171.3178.8-1.7112.3A2 G3 Q9 A10A2-R6 WeakPolarHBondContact O-CG 3.38Å; A2-R6 PolarHBondContact O-N 2.91Å; A2-R6 VanDerWaalsContact O-N 3.09Å; G3-R6 PolarHBondContact O-N 2.99Å; R6-Q9 PolarHBondContact O-N 2.89Å; R6-A10 WeakPolarHBondContact O-CB 3.39Å; R6-A10 PolarHBondContact O-N 3.17Å
7S62.6Low62.9Low67 Ų67110.3 Ų110.347%0.46956%0.56SS.*Hα-helixtrans-64.8-40.5174.6-61.70000111.8G3 L4 A10 L11G3-S7 WeakPolarHBondContact O-CB 3.45Å; G3-S7 PolarHBondContact O-N 2.86Å; G3-S7 PolarHBondContact O-OG 3.23Å; G3-S7 VanDerWaalsContact O-OG 3.07Å; L4-S7 PolarHBondContact O-N 3.46Å; S7-A10 PolarHBondContact O-N 3.31Å; S7-L11 WeakPolarHBondContact O-CB 3.43Å; S7-L11 WeakPolarHBondContact O-CD1 3.2Å; S7-L11 PolarHBondContact O-N 3.23Å
8Y63.3Low63.5Low77 Ų77108.3 Ų108.330%0.30255%0.554SS.*Hα-helixtrans-62.3-46.3173.6-179.8-99.2000111.4L4 W5 A10 L11 M12 V19 T23L4-Y8 VanDerWaalsContact O-CB 3.26Å; L4-Y8 WeakPolarHBondContact O-CB 3.33Å; L4-Y8 PolarHBondContact O-N 3.09Å; W5-Y8 PolarHBondContact O-N 3.4Å; Y8-A10 VanDerWaalsContact C-N 3.34Å; Y8-A10 PolarHBondContact O-N 3.02Å; Y8-L11 PolarHBondContact O-N 2.81Å; Y8-M12 HydrophobicContact CD1-SD 4.49Å; Y8-M12 HydrophobicContact CE1-SD 3.72Å; Y8-M12 VanDerWaalsContact O-CB 3.23Å; Y8-M12 WeakPolarHBondContact O-CB 3.15Å; Y8-M12 PolarHBondContact O-N 3.22Å; Y8-V19 HydrophobicContact CD2-CG1 4.3Å; Y8-V19 HydrophobicContact CE2-CG1 3.59Å; Y8-T23 PolarHBondContact OH-OG1 3.39Å
9Q61.7Low64.3Low94 Ų94103.2 Ų103.244%0.43953%0.528SS..Hα-helixtrans-61.3-41.4174.7-73.9-176.1-2800112W5 R6 M12 T13W5-Q9 WeakPolarHBondContact O-CB 3.48Å; W5-Q9 WeakPolarHBondContact O-CG 3.45Å; W5-Q9 PolarHBondContact O-N 3.44Å; R6-Q9 PolarHBondContact O-N 2.89Å; Q9-M12 PolarHBondContact O-N 3.5Å; Q9-T13 PolarHBondContact O-N 3.42Å; Q9-T13 PolarHBondContact O-OG1 3.49Å
10A64.3Low64.9Low58 Ų58100.8 Ų100.848%0.47952%0.515SS..Hα-helixtrans-65.2-42.4177.200000112R6 S7 Y8 T13 R14R6-A10 WeakPolarHBondContact O-CB 3.39Å; R6-A10 PolarHBondContact O-N 3.17Å; S7-A10 PolarHBondContact O-N 3.31Å; Y8-A10 VanDerWaalsContact C-N 3.34Å; Y8-A10 PolarHBondContact O-N 3.02Å; A10-T13 PolarHBondContact O-N 3.45Å; A10-R14 PolarHBondContact O-N 3.42Å
11L60.7Low65.7Low99 Ų9998.1 Ų98.152%0.51850%0.501SS..Hα-helixtrans-64.7-41.8174.7-106.3110.3000112.1S7 Y8 T13 R14 H15 V19S7-L11 WeakPolarHBondContact O-CB 3.43Å; S7-L11 WeakPolarHBondContact O-CD1 3.2Å; S7-L11 PolarHBondContact O-N 3.23Å; Y8-L11 PolarHBondContact O-N 2.81Å; L11-T13 PolarHBondContact O-N 3Å; L11-R14 PolarHBondContact O-N 3.34Å; L11-H15 PolarHBondContact O-N 2.87Å; L11-V19 HydrophobicContact CB-CG2 3.87Å; L11-V19 HydrophobicContact CD2-CG2 4.03Å
12M60.5Low67.2Low93 Ų9392.3 Ų92.346%0.45847%0.474SS..Hα-helixtrans-66-27.5178.3-165.4170.7155.100111.8Y8 Q9 P16 V19Y8-M12 HydrophobicContact CD1-SD 4.49Å; Y8-M12 HydrophobicContact CE1-SD 3.72Å; Y8-M12 VanDerWaalsContact O-CB 3.23Å; Y8-M12 WeakPolarHBondContact O-CB 3.15Å; Y8-M12 PolarHBondContact O-N 3.22Å; Q9-M12 PolarHBondContact O-N 3.5Å; M12-P16 VanDerWaalsContact O-CA 3.29Å; M12-P16 WeakPolarHBondContact O-CA 3.45Å; M12-P16 WeakPolarHBondContact O-CB 3.3Å; M12-V19 HydrophobicContact CB-CG1 4.3Å; M12-V19 HydrophobicContact CG-CG1 4.41Å
13T62.1Low68.4Low118 Ų11890.6 Ų90.672%0.72446%0.456SS*.Hα-helixtrans-78.7-36.8174.1-43.10000112Q9 A10 L11Q9-T13 PolarHBondContact O-N 3.42Å; Q9-T13 PolarHBondContact O-OG1 3.49Å; A10-T13 PolarHBondContact O-N 3.45Å; L11-T13 PolarHBondContact O-N 3Å
14R68.8Low69.2Low213 Ų21389.3 Ų89.380%0.80444%0.44SS*.Hα-helixtrans-79.6-42.9180-91.8-175.6168.3170.8-2.9113.9A10 L11A10-R14 PolarHBondContact O-N 3.42Å; L11-R14 PolarHBondContact O-N 3.34Å
15H68.3Low70.1Confident115 Ų11582.8 Ų82.853%0.53241%0.407SS..  trans-135.767.6-176.8-64-65.4000111.1L11 W17 T18 V19L11-H15 PolarHBondContact O-N 2.87Å; H15-W17 PolarHBondContact O-N 3.39Å; H15-T18 PolarHBondContact O-N 3.4Å; H15-V19 WeakPolarHBondContact O-CG2 3.18Å; H15-V19 PolarHBondContact O-N 3.22Å; H15-V19 VanDerWaalsContact O-N 3.08Å
16P69.9Low71.2Confident64 Ų6479.1 Ų79.142%0.41640%0.4SS..Hα-helixtrans-56.5-36.8-176.117.1-28.8000112.8M12 Q20M12-P16 VanDerWaalsContact O-CA 3.29Å; M12-P16 WeakPolarHBondContact O-CA 3.45Å; M12-P16 WeakPolarHBondContact O-CB 3.3Å; P16-Q20 WeakPolarHBondContact O-CB 3.4Å; P16-Q20 PolarHBondContact O-N 3.07Å; P16-Q20 VanDerWaalsContact O-N 3.08Å
17W70.6Confident72.2Confident83 Ų8371.7 Ų71.731%0.31437%0.374SS..Hα-helixtrans-68.7-48.5-179.9-8269.5000113H15 Q20 I21 S69 K72H15-W17 PolarHBondContact O-N 3.39Å; W17-Q20 PolarHBondContact O-N 2.85Å; W17-I21 VanDerWaalsContact O-CG1 3.3Å; W17-I21 WeakPolarHBondContact O-CG1 3.47Å; W17-I21 PolarHBondContact O-N 3.06Å; W17-S69 WeakPolarHBondContact CH2-OG 3.41Å; W17-K72 VanDerWaalsContact CE2-CE 3.41Å; W17-K72 HydrophobicContact CH2-CD 4.46Å; W17-K72 HydrophobicContact CZ2-CD 3.55Å; W17-K72 HydrophobicContact CZ2-CG 4.17Å; W17-K72 VanDerWaalsContact NE1-NZ 3.14Å
18T73.6Confident73.3Confident75 Ų7568.8 Ų68.846%0.4635%0.353SS..Hα-helixtrans-66-43.4-178.5-47.50000111.1H15 Q20 I21 I22H15-T18 PolarHBondContact O-N 3.4Å; T18-Q20 VanDerWaalsContact C-N 3.33Å; T18-Q20 PolarHBondContact O-N 2.89Å; T18-I21 PolarHBondContact O-N 2.79Å; T18-I22 HydrophobicContact CG2-CD1 3.9Å; T18-I22 WeakPolarHBondContact O-CB 3.48Å; T18-I22 VanDerWaalsContact O-CG1 3.25Å; T18-I22 WeakPolarHBondContact O-CG1 3.43Å; T18-I22 PolarHBondContact O-N 3.29Å
19V78Confident74.3Confident10 Ų1065.2 Ų65.26%0.06134%0.34CS..Hα-helixtrans-63.6-41.7177.5175.80000110.8Y8 L11 M12 H15 I22 T23Y8-V19 HydrophobicContact CD2-CG1 4.3Å; Y8-V19 HydrophobicContact CE2-CG1 3.59Å; L11-V19 HydrophobicContact CB-CG2 3.87Å; L11-V19 HydrophobicContact CD2-CG2 4.03Å; M12-V19 HydrophobicContact CB-CG1 4.3Å; M12-V19 HydrophobicContact CG-CG1 4.41Å; H15-V19 WeakPolarHBondContact O-CG2 3.18Å; H15-V19 PolarHBondContact O-N 3.22Å; H15-V19 VanDerWaalsContact O-N 3.08Å; V19-I22 PolarHBondContact O-N 3.09Å; V19-T23 VanDerWaalsContact O-CB 3.29Å; V19-T23 WeakPolarHBondContact O-CB 3.23Å; V19-T23 PolarHBondContact O-N 3.04Å; V19-T23 PolarHBondContact O-OG1 3.25Å
20Q77.4Confident75.4Confident55 Ų5563.9 Ų63.926%0.25734%0.339SS..Hα-helixtrans-64.6-42.8178.7-174.7167.220.400112.5P16 W17 T18 A24P16-Q20 WeakPolarHBondContact O-CB 3.4Å; P16-Q20 PolarHBondContact O-N 3.07Å; P16-Q20 VanDerWaalsContact O-N 3.08Å; W17-Q20 PolarHBondContact O-N 2.85Å; T18-Q20 VanDerWaalsContact C-N 3.33Å; T18-Q20 PolarHBondContact O-N 2.89Å; Q20-A24 VanDerWaalsContact O-CB 3.25Å; Q20-A24 WeakPolarHBondContact O-CB 3.39Å; Q20-A24 PolarHBondContact O-N 3.32Å
21I81.1Confident76.3Confident45 Ų4561.1 Ų61.123%0.23132%0.316CS..Hα-helixtrans-62.5-45.8175.6-70.3166.8000110.7W17 T18 A24 G25 F60 P65W17-I21 VanDerWaalsContact O-CG1 3.3Å; W17-I21 WeakPolarHBondContact O-CG1 3.47Å; W17-I21 PolarHBondContact O-N 3.06Å; T18-I21 PolarHBondContact O-N 2.79Å; I21-A24 PolarHBondContact O-N 3.08Å; I21-G25 PolarHBondContact O-N 3.37Å; I21-F60 HydrophobicContact CG2-CB 4.38Å; I21-F60 HydrophobicContact CG2-CD1 4.16Å; I21-F60 VanDerWaalsContact CG2-O 3.27Å; I21-F60 WeakPolarHBondContact CG2-O 3.33Å; I21-F60 WeakPolarHBondContact O-CD1 3.45Å; I21-P65 HydrophobicContact CD1-CG 4.11Å; I21-P65 HydrophobicContact CG1-CG 4.2Å
22I81.6Confident77.5Confident89 Ų8956.4 Ų56.446%0.45629%0.291SS..Hα-helixtrans-62.6-50.3-180-69.6169.5000110.4T18 V19 A24 G25 T26T18-I22 HydrophobicContact CG2-CD1 3.9Å; T18-I22 WeakPolarHBondContact O-CB 3.48Å; T18-I22 VanDerWaalsContact O-CG1 3.25Å; T18-I22 WeakPolarHBondContact O-CG1 3.43Å; T18-I22 PolarHBondContact O-N 3.29Å; V19-I22 PolarHBondContact O-N 3.09Å; I22-A24 VanDerWaalsContact C-N 3.33Å; I22-A24 PolarHBondContact O-N 3.3Å; I22-G25 PolarHBondContact O-N 3.46Å; I22-T26 PolarHBondContact O-N 2.96Å; I22-T26 PolarHBondContact O-OG1 2.91Å
23T80.1Confident78.7Confident36 Ų3654.6 Ų54.622%0.22129%0.285CS..Hα-helixtrans-59.3-43.8178.7-62.10000111.3Y8 V19 T26 L27Y8-T23 PolarHBondContact OH-OG1 3.39Å; V19-T23 VanDerWaalsContact O-CB 3.29Å; V19-T23 WeakPolarHBondContact O-CB 3.23Å; V19-T23 PolarHBondContact O-N 3.04Å; V19-T23 PolarHBondContact O-OG1 3.25Å; T23-T26 PolarHBondContact O-N 3.4Å; T23-L27 WeakPolarHBondContact O-CB 3.46Å; T23-L27 PolarHBondContact O-N 2.82Å
24A81.4Confident79.7Confident18 Ų1851.7 Ų51.715%0.14927%0.265CS..Hα-helixtrans-61.9-47.7177.500000112Q20 I21 I22 T26 L27 V28 V63Q20-A24 VanDerWaalsContact O-CB 3.25Å; Q20-A24 WeakPolarHBondContact O-CB 3.39Å; Q20-A24 PolarHBondContact O-N 3.32Å; I21-A24 PolarHBondContact O-N 3.08Å; I22-A24 VanDerWaalsContact C-N 3.33Å; I22-A24 PolarHBondContact O-N 3.3Å; A24-T26 PolarHBondContact O-N 3.11Å; A24-L27 PolarHBondContact O-N 3.42Å; A24-V28 VanDerWaalsContact O-CG2 3.29Å; A24-V28 WeakPolarHBondContact O-CG2 3.48Å; A24-V28 PolarHBondContact O-N 3.07Å; A24-V63 HydrophobicContact CB-CG1 4.21Å
25G82.9Confident80.4Confident0 Ų041.6 Ų41.60%023%0.226CC..Hα-helixtrans-58.4-47.8176.600000113.2I21 I22 G29I21-G25 PolarHBondContact O-N 3.37Å; I22-G25 PolarHBondContact O-N 3.46Å; G25-G29 PolarHBondContact O-N 3.16Å
26T84.9Confident80.9Confident67 Ų6736.1 Ų36.141%0.41120%0.201SC..Hα-helixtrans-64.5-41.3177.7-51.60000111.7I22 T23 A24 G29 V30I22-T26 PolarHBondContact O-N 2.96Å; I22-T26 PolarHBondContact O-OG1 2.91Å; T23-T26 PolarHBondContact O-N 3.4Å; A24-T26 PolarHBondContact O-N 3.11Å; T26-G29 PolarHBondContact O-N 3.35Å; T26-V30 HydrophobicContact CG2-CG2 4.28Å; T26-V30 WeakPolarHBondContact O-CB 3.15Å; T26-V30 VanDerWaalsContact O-CG2 3.29Å; T26-V30 WeakPolarHBondContact O-CG2 3.23Å; T26-V30 PolarHBondContact O-N 3.4Å
27L82.6Confident81.5Confident30 Ų3035.3 Ų35.316%0.15719%0.192CC..Hα-helixtrans-70.1-38.7-176.1-157.6151.6000111.9T23 A24 V30 G31 A163 I164 N167T23-L27 WeakPolarHBondContact O-CB 3.46Å; T23-L27 PolarHBondContact O-N 2.82Å; A24-L27 PolarHBondContact O-N 3.42Å; L27-V30 PolarHBondContact O-N 2.87Å; L27-G31 PolarHBondContact O-N 3.04Å; L27-A163 HydrophobicContact CD2-CB 4.26Å; L27-I164 HydrophobicContact CD2-CG1 4.49Å; L27-N167 HydrophobicContact CD2-CB 4.32Å; L27-N167 WeakPolarHBondContact CD2-ND2 3.34Å
28V84.9Confident81.9Confident5 Ų535.8 Ų35.83%0.0320%0.203CC..Hα-helixtrans-64.3-42.2171.6175.50000110.8A24 G31 D32 M55 V63A24-V28 VanDerWaalsContact O-CG2 3.29Å; A24-V28 WeakPolarHBondContact O-CG2 3.48Å; A24-V28 PolarHBondContact O-N 3.07Å; V28-G31 PolarHBondContact O-N 3.19Å; V28-D32 PolarHBondContact O-N 3.47Å; V28-M55 HydrophobicContact CG1-CB 4.02Å; V28-M55 WeakPolarHBondContact CG1-O 3.37Å; V28-V63 HydrophobicContact CG2-CG1 4.5Å; V28-V63 HydrophobicContact CG2-CG2 4.36Å
29G84.3Confident82Confident3 Ų336.5 Ų36.53%0.03120%0.204CC..Hα-helixtrans-61.4-47.4175.100000113.4G25 T26 G31 D32 V33G25-G29 PolarHBondContact O-N 3.16Å; T26-G29 PolarHBondContact O-N 3.35Å; G29-G31 VanDerWaalsContact C-N 3.31Å; G29-G31 PolarHBondContact O-N 3.34Å; G29-D32 WeakPolarHBondContact O-CB 3.48Å; G29-D32 PolarHBondContact O-N 2.98Å; G29-D32 VanDerWaalsContact O-N 3.1Å; G29-V33 WeakPolarHBondContact O-CG2 3.13Å; G29-V33 PolarHBondContact O-N 3.01Å
30V85.6Confident81.9Confident66 Ų6638.2 Ų38.240%0.421%0.211SC..Hα-helixtrans-62-41176.11700000110.9T26 L27 D32 V33 I34T26-V30 HydrophobicContact CG2-CG2 4.28Å; T26-V30 WeakPolarHBondContact O-CB 3.15Å; T26-V30 VanDerWaalsContact O-CG2 3.29Å; T26-V30 WeakPolarHBondContact O-CG2 3.23Å; T26-V30 PolarHBondContact O-N 3.4Å; L27-V30 PolarHBondContact O-N 2.87Å; V30-D32 VanDerWaalsContact C-N 3.28Å; V30-D32 PolarHBondContact O-N 3.45Å; V30-V33 PolarHBondContact O-N 3.45Å; V30-I34 HydrophobicContact CG1-CD1 3.81Å; V30-I34 HydrophobicContact CG1-CG1 4.46Å; V30-I34 WeakPolarHBondContact O-CG1 3.46Å; V30-I34 PolarHBondContact O-N 3.22Å
31G83.9Confident81.9Confident0 Ų045.8 Ų45.80%024%0.238CC..Hα-helixtrans-58.1-40.8172.900000112.1L27 V28 G29 I34 S35 S168L27-G31 PolarHBondContact O-N 3.04Å; V28-G31 PolarHBondContact O-N 3.19Å; G29-G31 VanDerWaalsContact C-N 3.31Å; G29-G31 PolarHBondContact O-N 3.34Å; G31-I34 PolarHBondContact O-N 2.93Å; G31-S35 VanDerWaalsContact O-CB 3.29Å; G31-S35 WeakPolarHBondContact O-CB 3.17Å; G31-S35 PolarHBondContact O-N 3.11Å; G31-S168 VanDerWaalsContact O-CA 3.29Å; G31-S168 WeakPolarHBondContact O-CA 3.3Å; G31-S168 WeakPolarHBondContact O-CB 3.28Å; G31-S168 PolarHBondContact O-OG 2.97Å
32D85.4Confident81.2Confident0 Ų048.5 Ų48.50%025%0.245CC..Hα-helixtrans-65.3-42.6175.5-172.476.6000112.9V28 G29 V30 I34 S35 Q36 R51 T52 M55 S171V28-D32 PolarHBondContact O-N 3.47Å; G29-D32 WeakPolarHBondContact O-CB 3.48Å; G29-D32 PolarHBondContact O-N 2.98Å; G29-D32 VanDerWaalsContact O-N 3.1Å; V30-D32 VanDerWaalsContact C-N 3.28Å; V30-D32 PolarHBondContact O-N 3.45Å; D32-I34 VanDerWaalsContact C-N 3.33Å; D32-I34 PolarHBondContact O-N 2.92Å; D32-S35 WeakPolarHBondContact O-CB 3.25Å; D32-S35 PolarHBondContact O-N 3.33Å; D32-Q36 WeakPolarHBondContact O-CG 3.14Å; D32-Q36 PolarHBondContact O-N 2.88Å; D32-Q36 PolarHBondContact OD2-NE2 2.87Å; D32-R51 IonicContact OD1-CZ 3.56Å; D32-R51 IonicContact OD1-NE 2.79Å; D32-R51 PolarHBondContact OD1-NE 2.95Å; D32-R51 IonicContact OD1-NH2 3.57Å; D32-R51 IonicContact OD2-NE 3.86Å; D32-T52 HydrophobicContact CB-CG2 4.47Å; D32-T52 WeakPolarHBondContact OD2-CA 3.33Å; D32-T52 WeakPolarHBondContact OD2-CB 3.43Å; D32-T52 PolarHBondContact OD2-N 3.35Å; D32-T52 PolarHBondContact OD2-OG1 3.32Å; D32-M55 HydrophobicContact CB-CB 4.01Å; D32-M55 HydrophobicContact CB-CG 4.06Å; D32-M55 WeakPolarHBondContact OD1-CG 3.36Å; D32-S171 WeakPolarHBondContact CA-OG 3.43Å; D32-S171 PolarHBondContact OD1-OG 2.87Å
33V84.8Confident80.4Confident55 Ų5545.8 Ų45.833%0.33324%0.239SC..Hα-helixtrans-59.1-46.7174.5178.10000110.7G29 V30 S35 Q36 Q37 T52G29-V33 WeakPolarHBondContact O-CG2 3.13Å; G29-V33 PolarHBondContact O-N 3.01Å; V30-V33 PolarHBondContact O-N 3.45Å; V33-S35 VanDerWaalsContact C-N 3.33Å; V33-S35 PolarHBondContact O-N 3.35Å; V33-Q36 PolarHBondContact O-N 3.38Å; V33-Q37 HydrophobicContact CG1-CG 4.3Å; V33-Q37 WeakPolarHBondContact O-CB 3.19Å; V33-Q37 WeakPolarHBondContact O-CG 3.42Å; V33-Q37 PolarHBondContact O-N 2.95Å; V33-T52 HydrophobicContact CG2-CG2 3.88Å
34I83.7Confident79.6Confident57 Ų5751.3 Ų51.329%0.29227%0.266SS..Hα-helixtrans-63.7-41.6178.6-67.8167.2000110.5V30 G31 D32 Q36 Q37 V38 I164 S168V30-I34 HydrophobicContact CG1-CD1 3.81Å; V30-I34 HydrophobicContact CG1-CG1 4.46Å; V30-I34 WeakPolarHBondContact O-CG1 3.46Å; V30-I34 PolarHBondContact O-N 3.22Å; G31-I34 PolarHBondContact O-N 2.93Å; D32-I34 VanDerWaalsContact C-N 3.33Å; D32-I34 PolarHBondContact O-N 2.92Å; I34-Q36 PolarHBondContact O-N 3.33Å; I34-Q37 PolarHBondContact O-N 3.29Å; I34-V38 HydrophobicContact CG2-CB 4.28Å; I34-V38 HydrophobicContact CG2-CG2 4Å; I34-V38 WeakPolarHBondContact O-CA 3.28Å; I34-V38 VanDerWaalsContact O-CB 3.23Å; I34-V38 WeakPolarHBondContact O-CB 3.29Å; I34-V38 PolarHBondContact O-N 2.84Å; I34-I164 HydrophobicContact CD1-CG2 3.3Å; I34-S168 WeakPolarHBondContact CB-OG 3.19Å; I34-S168 WeakPolarHBondContact CG2-OG 3.34Å
35S83.6Confident78.7Confident0 Ų055.1 Ų55.10%030%0.298CS..Iπ-helixtrans-57.2-49.6175-176.20000111.8G31 D32 V33 Q37 L39 E40 R51 S168 S171 W172G31-S35 VanDerWaalsContact O-CB 3.29Å; G31-S35 WeakPolarHBondContact O-CB 3.17Å; G31-S35 PolarHBondContact O-N 3.11Å; D32-S35 WeakPolarHBondContact O-CB 3.25Å; D32-S35 PolarHBondContact O-N 3.33Å; V33-S35 VanDerWaalsContact C-N 3.33Å; V33-S35 PolarHBondContact O-N 3.35Å; S35-Q37 PolarHBondContact O-N 3.45Å; S35-L39 WeakPolarHBondContact O-CA 3.48Å; S35-L39 VanDerWaalsContact O-CB 3.31Å; S35-L39 WeakPolarHBondContact O-CB 3.03Å; S35-L39 PolarHBondContact O-N 3.33Å; S35-E40 PolarHBondContact O-N 2.84Å; S35-R51 PolarHBondContact OG-NH2 3.39Å; S35-S168 VanDerWaalsContact CB-O 3.3Å; S35-S168 WeakPolarHBondContact CB-O 3.38Å; S35-S168 PolarHBondContact OG-O 3.46Å; S35-S171 WeakPolarHBondContact CB-OG 2.99Å; S35-W172 VanDerWaalsContact OG-CA 3.31Å; S35-W172 WeakPolarHBondContact OG-CA 3.41Å; S35-W172 VanDerWaalsContact OG-CB 3.28Å; S35-W172 WeakPolarHBondContact OG-CB 3.35Å; S35-W172 PolarHBondContact OG-N 3.39Å
36Q79Confident78Confident0 Ų060.7 Ų60.70%033%0.328CS..Iπ-helixtrans-66.1-39-179.4-68.5-171.831.700113.2D32 V33 I34 R41 R42 H47 N48 T52D32-Q36 WeakPolarHBondContact O-CG 3.14Å; D32-Q36 PolarHBondContact O-N 2.88Å; D32-Q36 PolarHBondContact OD2-NE2 2.87Å; V33-Q36 PolarHBondContact O-N 3.38Å; I34-Q36 PolarHBondContact O-N 3.33Å; Q36-R41 PolarHBondContact O-N 2.68Å; Q36-R42 PolarHBondContact O-N 3Å; Q36-R42 VanDerWaalsContact O-N 3.17Å; Q36-H47 PolarHBondContact OE1-CE1 3.39Å; Q36-H47 PolarHBondContact OE1-ND1 2.96Å; Q36-N48 PolarHBondContact NE2-O 3.41Å; Q36-T52 PolarHBondContact NE2-OG1 3.18Å
37Q81.3Confident77.6Confident47 Ų4760 Ų6022%0.2232%0.32CS..Iπ-helixtrans-83.8-40.9-175.6-66-59.5-32.100112.9V33 I34 S35 R41 G43V33-Q37 HydrophobicContact CG1-CG 4.3Å; V33-Q37 WeakPolarHBondContact O-CB 3.19Å; V33-Q37 WeakPolarHBondContact O-CG 3.42Å; V33-Q37 PolarHBondContact O-N 2.95Å; I34-Q37 PolarHBondContact O-N 3.29Å; S35-Q37 PolarHBondContact O-N 3.45Å; Q37-R41 WeakPolarHBondContact O-CA 3.26Å; Q37-G43 PolarHBondContact NE2-O 3.23Å
38V79.2Confident77.4Confident93 Ų9361.5 Ų61.556%0.56433%0.328SS*.Iπ-helixtrans-97.5-48-171.6-176.30000111.9I34I34-V38 HydrophobicContact CG2-CB 4.28Å; I34-V38 HydrophobicContact CG2-CG2 4Å; I34-V38 WeakPolarHBondContact O-CA 3.28Å; I34-V38 VanDerWaalsContact O-CB 3.23Å; I34-V38 WeakPolarHBondContact O-CB 3.29Å; I34-V38 PolarHBondContact O-N 2.84Å
39L76Confident77.3Confident90 Ų9066 Ų6647%0.47136%0.355SS..Iπ-helixtrans-80.8-45.4-176.7-62174.5000111.5S35 W172S35-L39 WeakPolarHBondContact O-CA 3.48Å; S35-L39 VanDerWaalsContact O-CB 3.31Å; S35-L39 WeakPolarHBondContact O-CB 3.03Å; S35-L39 PolarHBondContact O-N 3.33Å; L39-W172 HydrophobicContact CD1-CB 3.79Å; L39-W172 HydrophobicContact CD1-CG 4.2Å
40E76.8Confident77.2Confident46 Ų4670.4 Ų70.422%0.21538%0.381CS..SBendtrans-92.3-10.3-177.3-62.6178.9-152.900113.3S35 R42 R51S35-E40 PolarHBondContact O-N 2.84Å; E40-R42 HydrophobicContact CB-CG 3.93Å; E40-R42 PolarHBondContact O-N 3.38Å; E40-R42 IonicContact OE2-CZ 3.17Å; E40-R42 IonicContact OE2-NE 2.73Å; E40-R42 PolarHBondContact OE2-NE 3.3Å; E40-R42 IonicContact OE2-NH2 2.8Å; E40-R42 PolarHBondContact OE2-NH2 3.34Å; E40-R51 IonicContact OE1-CZ 3.23Å; E40-R51 VanDerWaalsContact OE1-CZ 3.23Å; E40-R51 IonicContact OE1-NH1 2.71Å; E40-R51 PolarHBondContact OE1-NH1 2.83Å; E40-R51 IonicContact OE1-NH2 2.85Å; E40-R51 PolarHBondContact OE1-NH2 3.24Å; E40-R51 IonicContact OE2-NH1 3.01Å; E40-R51 PolarHBondContact OE2-NH1 3.44Å
41R76.6Confident76.8Confident214 Ų21467.7 Ų67.781%0.80836%0.364SS*.  trans45.537.2179.3-61.6-173.4177.5-174.2-0.7113.6Q36 Q37 G43Q36-R41 PolarHBondContact O-N 2.68Å; Q37-R41 WeakPolarHBondContact O-CA 3.26Å; R41-G43 PolarHBondContact O-N 3.31Å
42R66.9Low76.8Confident103 Ų10368.2 Ų68.239%0.38937%0.367SS..  trans-66.7-21.9-176.5-68.5-168.1-173.8-146.5-0.5113.6Q36 E40 N46Q36-R42 PolarHBondContact O-N 3Å; Q36-R42 VanDerWaalsContact O-N 3.17Å; E40-R42 HydrophobicContact CB-CG 3.93Å; E40-R42 PolarHBondContact O-N 3.38Å; E40-R42 IonicContact OE2-CZ 3.17Å; E40-R42 IonicContact OE2-NE 2.73Å; E40-R42 PolarHBondContact OE2-NE 3.3Å; E40-R42 IonicContact OE2-NH2 2.8Å; E40-R42 PolarHBondContact OE2-NH2 3.34Å; R42-N46 HydrophobicContact CB-CB 4.35Å; R42-N46 PolarHBondContact O-ND2 3.4Å
43G65.3Low76.8Confident31 Ų3170.6 Ų70.632%0.3239%0.387SS..  trans78.9160.1-171.900000112.6Q37 R41 A45 N46Q37-G43 PolarHBondContact NE2-O 3.23Å; R41-G43 PolarHBondContact O-N 3.31Å; G43-A45 VanDerWaalsContact C-N 3.25Å; G43-A45 PolarHBondContact O-N 3.47Å; G43-N46 PolarHBondContact O-N 3.31Å
44L63.5Low76.7Confident152 Ų15271.2 Ų71.280%0.79639%0.385SS*.G310 helixtrans-63-29.5-177.1-69.4168.3000113.1
45A60.8Low76.7Confident99 Ų9968.6 Ų68.682%0.81837%0.371SS*.G310 helixtrans-72.6-26.5-178.700000114G43G43-A45 VanDerWaalsContact C-N 3.25Å; G43-A45 PolarHBondContact O-N 3.47Å
46N69.1Low76.8Confident117 Ų11771.4 Ų71.463%0.62639%0.385SS*.G310 helixtrans-107.222.3179.8-61.2-58.3000112.2R42 G43 N48R42-N46 HydrophobicContact CB-CB 4.35Å; R42-N46 PolarHBondContact O-ND2 3.4Å; G43-N46 PolarHBondContact O-N 3.31Å; N46-N48 PolarHBondContact O-N 2.97Å
47H76.2Confident77.1Confident52 Ų5274 Ų7424%0.24140%0.403CS..  trans-67122.3-180-174.755.9000110.3Q36 V49 T52Q36-H47 PolarHBondContact OE1-CE1 3.39Å; Q36-H47 PolarHBondContact OE1-ND1 2.96Å; H47-V49 PolarHBondContact O-N 3.24Å; H47-T52 PolarHBondContact CE1-OG1 3.15Å
48N79.5Confident77.3Confident62 Ų6271.9 Ų71.933%0.33239%0.394SS..  trans-88.590.3-179.1-170.4-28.9000109.9Q36 N46 T50 R51 T52Q36-N48 PolarHBondContact NE2-O 3.41Å; N46-N48 PolarHBondContact O-N 2.97Å; N48-T50 PolarHBondContact O-N 3.35Å; N48-T50 WeakPolarHBondContact OD1-CB 3.42Å; N48-T50 PolarHBondContact OD1-N 3.03Å; N48-T50 VanDerWaalsContact OD1-N 3.14Å; N48-R51 HydrophobicContact CB-CB 4.04Å; N48-R51 WeakPolarHBondContact O-CB 3.45Å; N48-R51 PolarHBondContact O-N 3.41Å; N48-R51 PolarHBondContact OD1-N 3.17Å; N48-T52 PolarHBondContact O-N 2.91Å; N48-T52 PolarHBondContact O-OG1 3.21Å
49V81.9Confident77.5Confident100 Ų10067.5 Ų67.561%0.60637%0.367SS*.Hα-helixtrans-61.7-33.7177.6-177.10000111.4H47 R51 T52 A53H47-V49 PolarHBondContact O-N 3.24Å; V49-R51 VanDerWaalsContact C-N 3.34Å; V49-R51 PolarHBondContact O-N 3.48Å; V49-T52 PolarHBondContact O-N 3.44Å; V49-A53 WeakPolarHBondContact O-CB 3.34Å; V49-A53 PolarHBondContact O-N 2.95Å
50T81.5Confident77.9Confident94 Ų9466.1 Ų66.158%0.57736%0.357SS*.Hα-helixtrans-63.4-40177.1-50.90000111.6N48 A53 K54N48-T50 PolarHBondContact O-N 3.35Å; N48-T50 WeakPolarHBondContact OD1-CB 3.42Å; N48-T50 PolarHBondContact OD1-N 3.03Å; N48-T50 VanDerWaalsContact OD1-N 3.14Å; T50-A53 PolarHBondContact O-N 3.49Å; T50-K54 WeakPolarHBondContact O-CG 3.37Å; T50-K54 PolarHBondContact O-N 3.46Å
51R78.5Confident78.2Confident9 Ų972 Ų723%0.03438%0.382CS..Hα-helixtrans-65.1-44.6174.2172.9-179.2154173.91111.3D32 S35 E40 N48 V49 A53 K54 M55 S171 N175D32-R51 IonicContact OD1-CZ 3.56Å; D32-R51 IonicContact OD1-NE 2.79Å; D32-R51 PolarHBondContact OD1-NE 2.95Å; D32-R51 IonicContact OD1-NH2 3.57Å; D32-R51 IonicContact OD2-NE 3.86Å; S35-R51 PolarHBondContact OG-NH2 3.39Å; E40-R51 IonicContact OE1-CZ 3.23Å; E40-R51 VanDerWaalsContact OE1-CZ 3.23Å; E40-R51 IonicContact OE1-NH1 2.71Å; E40-R51 PolarHBondContact OE1-NH1 2.83Å; E40-R51 IonicContact OE1-NH2 2.85Å; E40-R51 PolarHBondContact OE1-NH2 3.24Å; E40-R51 IonicContact OE2-NH1 3.01Å; E40-R51 PolarHBondContact OE2-NH1 3.44Å; N48-R51 HydrophobicContact CB-CB 4.04Å; N48-R51 WeakPolarHBondContact O-CB 3.45Å; N48-R51 PolarHBondContact O-N 3.41Å; N48-R51 PolarHBondContact OD1-N 3.17Å; V49-R51 VanDerWaalsContact C-N 3.34Å; V49-R51 PolarHBondContact O-N 3.48Å; R51-A53 VanDerWaalsContact C-N 3.31Å; R51-A53 PolarHBondContact O-N 2.93Å; R51-K54 PolarHBondContact O-N 2.85Å; R51-M55 WeakPolarHBondContact O-CG 3.23Å; R51-M55 PolarHBondContact O-N 2.92Å; R51-S171 PolarHBondContact NH2-O 2.74Å; R51-S171 PolarHBondContact NH2-OG 2.91Å; R51-N175 VanDerWaalsContact NE-CG 3.26Å; R51-N175 PolarHBondContact NE-ND2 3.24Å; R51-N175 VanDerWaalsContact NE-ND2 3.13Å
52T83.9Confident78.7Confident12 Ų1264.2 Ų64.27%0.07436%0.355CS..Hα-helixtrans-62.1-41.5176.8-52.20000111D32 V33 Q36 H47 N48 V49 K54 M55 M56D32-T52 HydrophobicContact CB-CG2 4.47Å; D32-T52 WeakPolarHBondContact OD2-CA 3.33Å; D32-T52 WeakPolarHBondContact OD2-CB 3.43Å; D32-T52 PolarHBondContact OD2-N 3.35Å; D32-T52 PolarHBondContact OD2-OG1 3.32Å; V33-T52 HydrophobicContact CG2-CG2 3.88Å; Q36-T52 PolarHBondContact NE2-OG1 3.18Å; H47-T52 PolarHBondContact CE1-OG1 3.15Å; N48-T52 PolarHBondContact O-N 2.91Å; N48-T52 PolarHBondContact O-OG1 3.21Å; V49-T52 PolarHBondContact O-N 3.44Å; T52-K54 PolarHBondContact O-N 2.76Å; T52-M55 PolarHBondContact O-N 3.01Å; T52-M56 HydrophobicContact CG2-CG 4.47Å; T52-M56 HydrophobicContact CG2-SD 4.17Å; T52-M56 WeakPolarHBondContact O-CB 3.29Å; T52-M56 VanDerWaalsContact O-CG 3.27Å; T52-M56 WeakPolarHBondContact O-CG 3.31Å; T52-M56 PolarHBondContact O-N 2.98Å
53A84.4Confident79.4Confident49 Ų4959.7 Ų59.741%0.40534%0.338SS..Hα-helixtrans-60.8-45.6174.700000111.9V49 T50 R51 M55 M56 S57V49-A53 WeakPolarHBondContact O-CB 3.34Å; V49-A53 PolarHBondContact O-N 2.95Å; T50-A53 PolarHBondContact O-N 3.49Å; R51-A53 VanDerWaalsContact C-N 3.31Å; R51-A53 PolarHBondContact O-N 2.93Å; A53-M55 PolarHBondContact O-N 3.4Å; A53-M56 PolarHBondContact O-N 3.42Å; A53-S57 PolarHBondContact O-N 3.5Å; A53-S57 PolarHBondContact O-OG 3.25Å; A53-S57 VanDerWaalsContact O-OG 3.04Å
54K83.9Confident80.2Confident69 Ų6958.2 Ų58.230%0.332%0.323SS..Hα-helixtrans-58.2-46.7174.9-72.5176.2-177.7-169.50111.7T50 R51 T52 S57 I58 L112T50-K54 WeakPolarHBondContact O-CG 3.37Å; T50-K54 PolarHBondContact O-N 3.46Å; R51-K54 PolarHBondContact O-N 2.85Å; T52-K54 PolarHBondContact O-N 2.76Å; K54-S57 WeakPolarHBondContact O-CB 3.47Å; K54-S57 PolarHBondContact O-N 2.91Å; K54-I58 WeakPolarHBondContact O-CG1 3.3Å; K54-I58 PolarHBondContact O-N 2.85Å; K54-L112 VanDerWaalsContact CE-O 3.3Å; K54-L112 WeakPolarHBondContact CE-O 3.24Å; K54-L112 PolarHBondContact NZ-O 3.09Å
55M83.1Confident81.2Confident1 Ų152.9 Ų52.91%0.00530%0.298CS..Hα-helixtrans-64.6-41.3178.5-69.2-67.2137.700112V28 D32 R51 T52 A53 S57 I58 G59 F105 S109 A174 N175V28-M55 HydrophobicContact CG1-CB 4.02Å; V28-M55 WeakPolarHBondContact CG1-O 3.37Å; D32-M55 HydrophobicContact CB-CB 4.01Å; D32-M55 HydrophobicContact CB-CG 4.06Å; D32-M55 WeakPolarHBondContact OD1-CG 3.36Å; R51-M55 WeakPolarHBondContact O-CG 3.23Å; R51-M55 PolarHBondContact O-N 2.92Å; T52-M55 PolarHBondContact O-N 3.01Å; A53-M55 PolarHBondContact O-N 3.4Å; M55-S57 VanDerWaalsContact C-N 3.34Å; M55-S57 PolarHBondContact O-N 3.13Å; M55-I58 HydrophobicContact CE-CD1 4.05Å; M55-I58 PolarHBondContact O-N 3.36Å; M55-I58 HydrophobicContact SD-CD1 4.16Å; M55-G59 PolarHBondContact O-N 3.45Å; M55-F105 HydrophobicContact SD-CZ 4.21Å; M55-S109 WeakPolarHBondContact CE-OG 3.03Å; M55-A174 HydrophobicContact CE-CB 4.39Å; M55-N175 VanDerWaalsContact CE-ND2 3.29Å; M55-N175 WeakPolarHBondContact CE-ND2 3.33Å
56M85.4Confident82.3Confident60 Ų6049.4 Ų49.430%0.29627%0.269SS..Hα-helixtrans-61.4-42.1173.1-73.9178.173.800111.5T52 A53 I58 G59 F60T52-M56 HydrophobicContact CG2-CG 4.47Å; T52-M56 HydrophobicContact CG2-SD 4.17Å; T52-M56 WeakPolarHBondContact O-CB 3.29Å; T52-M56 VanDerWaalsContact O-CG 3.27Å; T52-M56 WeakPolarHBondContact O-CG 3.31Å; T52-M56 PolarHBondContact O-N 2.98Å; A53-M56 PolarHBondContact O-N 3.42Å; M56-I58 PolarHBondContact O-N 3.45Å; M56-G59 CarbonylContact O-C 3.55Å; M56-G59 WeakPolarHBondContact O-CA 3.48Å; M56-G59 PolarHBondContact O-N 3.35Å; M56-F60 HydrophobicContact CB-CD2 4.33Å; M56-F60 HydrophobicContact CB-CE2 4.01Å; M56-F60 HydrophobicContact CE-CE2 3.92Å; M56-F60 HydrophobicContact CE-CZ 4.09Å; M56-F60 WeakPolarHBondContact O-CD2 3.5Å; M56-F60 PolarHBondContact O-N 3.32Å
57S85.8Confident83Confident54 Ų5445.8 Ų45.838%0.37825%0.249SC..Hα-helixtrans-60.2-43.9174.8-60.90000111.8A53 K54 M55 G59 F60 F61A53-S57 PolarHBondContact O-N 3.5Å; A53-S57 PolarHBondContact O-OG 3.25Å; A53-S57 VanDerWaalsContact O-OG 3.04Å; K54-S57 WeakPolarHBondContact O-CB 3.47Å; K54-S57 PolarHBondContact O-N 2.91Å; M55-S57 VanDerWaalsContact C-N 3.34Å; M55-S57 PolarHBondContact O-N 3.13Å; S57-G59 VanDerWaalsContact C-N 3.26Å; S57-G59 PolarHBondContact O-N 3.02Å; S57-F60 PolarHBondContact O-N 2.97Å; S57-F61 WeakPolarHBondContact O-CB 3.29Å; S57-F61 VanDerWaalsContact O-CD2 3.3Å; S57-F61 WeakPolarHBondContact O-CD2 3.41Å; S57-F61 PolarHBondContact O-N 2.93Å
58I86.1Confident83.2Confident3 Ų343.4 Ų43.42%0.01524%0.239CC..Hα-helixtrans-58.7-43.7172.5-61.2169.9000109.9K54 M55 M56 F60 F62 V63 F105 I108 L112K54-I58 WeakPolarHBondContact O-CG1 3.3Å; K54-I58 PolarHBondContact O-N 2.85Å; M55-I58 HydrophobicContact CE-CD1 4.05Å; M55-I58 PolarHBondContact O-N 3.36Å; M55-I58 HydrophobicContact SD-CD1 4.16Å; M56-I58 PolarHBondContact O-N 3.45Å; I58-F60 PolarHBondContact O-N 3.11Å; I58-F62 HydrophobicContact CG2-CB 4.3Å; I58-F62 HydrophobicContact CG2-CD1 4.29Å; I58-F62 WeakPolarHBondContact O-CA 3.5Å; I58-F62 VanDerWaalsContact O-CB 3.31Å; I58-F62 WeakPolarHBondContact O-CB 3.37Å; I58-F62 PolarHBondContact O-N 2.72Å; I58-V63 HydrophobicContact CG2-CG2 4.12Å; I58-V63 PolarHBondContact O-N 2.87Å; I58-F105 HydrophobicContact CB-CE2 4.49Å; I58-F105 HydrophobicContact CG2-CD2 3.63Å; I58-F105 HydrophobicContact CG2-CE2 3.57Å; I58-I108 HydrophobicContact CD1-CG2 4.4Å; I58-I108 HydrophobicContact CG1-CG2 4.03Å; I58-L112 HydrophobicContact CD1-CD1 3.73Å; I58-L112 HydrophobicContact CG1-CD1 3.38Å
59G83Confident83.3Confident0 Ų043.2 Ų43.20%024%0.242CC..Iπ-helixtrans-59-46.3177.600000114M55 M56 S57 G64M55-G59 PolarHBondContact O-N 3.45Å; M56-G59 CarbonylContact O-C 3.55Å; M56-G59 WeakPolarHBondContact O-CA 3.48Å; M56-G59 PolarHBondContact O-N 3.35Å; S57-G59 VanDerWaalsContact C-N 3.26Å; S57-G59 PolarHBondContact O-N 3.02Å; G59-G64 PolarHBondContact O-N 2.78Å
60F82.9Confident83.5Confident61 Ų6140.5 Ų40.527%0.26822%0.221SC..Iπ-helixtrans-74.7-44.6-178.9-68.1-60.6000113.3I21 M56 S57 I58 P65I21-F60 HydrophobicContact CG2-CB 4.38Å; I21-F60 HydrophobicContact CG2-CD1 4.16Å; I21-F60 VanDerWaalsContact CG2-O 3.27Å; I21-F60 WeakPolarHBondContact CG2-O 3.33Å; I21-F60 WeakPolarHBondContact O-CD1 3.45Å; M56-F60 HydrophobicContact CB-CD2 4.33Å; M56-F60 HydrophobicContact CB-CE2 4.01Å; M56-F60 HydrophobicContact CE-CE2 3.92Å; M56-F60 HydrophobicContact CE-CZ 4.09Å; M56-F60 WeakPolarHBondContact O-CD2 3.5Å; M56-F60 PolarHBondContact O-N 3.32Å; S57-F60 PolarHBondContact O-N 2.97Å; I58-F60 PolarHBondContact O-N 3.11Å; F60-P65 VanDerWaalsContact O-CD 3.28Å; F60-P65 WeakPolarHBondContact O-CD 3.29Å
61F84.4Confident83.4Confident170 Ų17041.8 Ų41.875%0.74622%0.216SC*.Iπ-helixtrans-93.4-25.9-170.1-68.4-75.4000113.7S57S57-F61 WeakPolarHBondContact O-CB 3.29Å; S57-F61 VanDerWaalsContact O-CD2 3.3Å; S57-F61 WeakPolarHBondContact O-CD2 3.41Å; S57-F61 PolarHBondContact O-N 2.93Å
62F85.9Confident83.5Confident51 Ų5146.8 Ų46.822%0.22424%0.238CC..Iπ-helixtrans-112.5-58.9-178.3-179.6-107.1000111.9I58 A66 F101 A104 F105 I108I58-F62 HydrophobicContact CG2-CB 4.3Å; I58-F62 HydrophobicContact CG2-CD1 4.29Å; I58-F62 WeakPolarHBondContact O-CA 3.5Å; I58-F62 VanDerWaalsContact O-CB 3.31Å; I58-F62 WeakPolarHBondContact O-CB 3.37Å; I58-F62 PolarHBondContact O-N 2.72Å; F62-A66 WeakPolarHBondContact O-CB 3.46Å; F62-A66 PolarHBondContact O-N 3.26Å; F62-F101 HydrophobicContact CD1-CE2 4.46Å; F62-F101 HydrophobicContact CE1-CD2 4.07Å; F62-F101 AromaticContact CE1-CE2 3.98Å; F62-F101 HydrophobicContact CE1-CE2 3.98Å; F62-F101 HydrophobicContact CZ-CD2 4.48Å; F62-A104 HydrophobicContact CE1-CB 4Å; F62-A104 HydrophobicContact CE2-CB 4.04Å; F62-A104 HydrophobicContact CZ-CB 3.33Å; F62-F105 HydrophobicContact CE1-CB 4.41Å; F62-I108 HydrophobicContact CB-CD1 4.18Å; F62-I108 HydrophobicContact CD1-CD1 3.87Å; F62-I108 HydrophobicContact CD2-CD1 3.43Å; F62-I108 VanDerWaalsContact CD2-CD1 3.43Å; F62-I108 HydrophobicContact CE1-CD1 4.13Å; F62-I108 HydrophobicContact CE2-CD1 3.72Å; F62-I108 HydrophobicContact CG-CD1 3.53Å; F62-I108 HydrophobicContact CZ-CD1 4.08Å
63V82.4Confident83.5Confident7 Ų749.2 Ų49.24%0.04225%0.253CS..Iπ-helixtrans-64.6-50.2-171.3179.30000112A24 V28 I58 A66 I67 F101 F105A24-V63 HydrophobicContact CB-CG1 4.21Å; V28-V63 HydrophobicContact CG2-CG1 4.5Å; V28-V63 HydrophobicContact CG2-CG2 4.36Å; I58-V63 HydrophobicContact CG2-CG2 4.12Å; I58-V63 PolarHBondContact O-N 2.87Å; V63-A66 PolarHBondContact O-N 3.31Å; V63-I67 HydrophobicContact CG1-CD1 3.41Å; V63-I67 VanDerWaalsContact CG1-CD1 3.41Å; V63-I67 HydrophobicContact CG1-CG1 4.14Å; V63-I67 VanDerWaalsContact O-CB 3.28Å; V63-I67 WeakPolarHBondContact O-CB 3.5Å; V63-I67 VanDerWaalsContact O-CG1 3.24Å; V63-I67 WeakPolarHBondContact O-CG1 2.99Å; V63-I67 PolarHBondContact O-N 3.39Å; V63-F101 HydrophobicContact CB-CE2 4.31Å; V63-F101 HydrophobicContact CB-CZ 4.22Å; V63-F101 HydrophobicContact CG1-CE2 4.1Å; V63-F101 HydrophobicContact CG1-CZ 3.78Å; V63-F101 HydrophobicContact CG2-CE2 4.12Å; V63-F101 HydrophobicContact CG2-CZ 3.8Å; V63-F105 HydrophobicContact CG2-CD2 4.02Å; V63-F105 HydrophobicContact CG2-CE2 4.17Å
64G82Confident83.3Confident1 Ų147 Ų471%0.0123%0.234CC..Hα-helixtrans-55.8-57.4179.500000113.2G59 G68G59-G64 PolarHBondContact O-N 2.78Å; G64-G68 PolarHBondContact O-N 2.84Å
65P84.6Confident83.1Confident40 Ų4048.3 Ų48.326%0.2625%0.245SC..Hα-helixtrans-64.6-38.2179.3-25.236000113.8I21 F60 S69I21-P65 HydrophobicContact CD1-CG 4.11Å; I21-P65 HydrophobicContact CG1-CG 4.2Å; F60-P65 VanDerWaalsContact O-CD 3.28Å; F60-P65 WeakPolarHBondContact O-CD 3.29Å; P65-S69 VanDerWaalsContact O-CB 3.31Å; P65-S69 WeakPolarHBondContact O-CB 3.28Å; P65-S69 PolarHBondContact O-N 3.49Å; P65-S69 PolarHBondContact O-OG 3.18Å
66A84.6Confident83Confident25 Ų2556.8 Ų56.821%0.20728%0.281CS..Hα-helixtrans-64.6-49.4178.500000111.1F62 V63 S69 W70 F97 F101F62-A66 WeakPolarHBondContact O-CB 3.46Å; F62-A66 PolarHBondContact O-N 3.26Å; V63-A66 PolarHBondContact O-N 3.31Å; A66-S69 PolarHBondContact O-N 3.38Å; A66-W70 VanDerWaalsContact O-CB 3.3Å; A66-W70 WeakPolarHBondContact O-CB 3.44Å; A66-W70 PolarHBondContact O-N 3.23Å; A66-F97 HydrophobicContact CB-CZ 4.36Å; A66-F101 HydrophobicContact CB-CD2 4.49Å
67I81.9Confident82.7Confident42 Ų4259.2 Ų59.222%0.21530%0.295CS..Hα-helixtrans-64.7-44.5178.5-68.6-179.9000110.7V63 S69 W70 Y71 F97 F101V63-I67 HydrophobicContact CG1-CD1 3.41Å; V63-I67 VanDerWaalsContact CG1-CD1 3.41Å; V63-I67 HydrophobicContact CG1-CG1 4.14Å; V63-I67 VanDerWaalsContact O-CB 3.28Å; V63-I67 WeakPolarHBondContact O-CB 3.5Å; V63-I67 VanDerWaalsContact O-CG1 3.24Å; V63-I67 WeakPolarHBondContact O-CG1 2.99Å; V63-I67 PolarHBondContact O-N 3.39Å; I67-S69 PolarHBondContact O-N 2.94Å; I67-W70 PolarHBondContact O-N 3.42Å; I67-Y71 HydrophobicContact CG2-CD2 3.46Å; I67-Y71 VanDerWaalsContact CG2-CD2 3.46Å; I67-Y71 HydrophobicContact CG2-CE2 3.21Å; I67-Y71 VanDerWaalsContact O-CD2 3.26Å; I67-Y71 WeakPolarHBondContact O-CD2 3.45Å; I67-Y71 PolarHBondContact O-N 3.24Å; I67-F97 HydrophobicContact CG1-CE1 4.14Å; I67-F97 HydrophobicContact CG1-CZ 4.07Å; I67-F101 HydrophobicContact CG1-CE2 4.29Å
68G81Confident82.2Confident2 Ų257.5 Ų57.52%0.02128%0.282CS..Hα-helixtrans-61.8-41.2178.400000113.1G64 K72G64-G68 PolarHBondContact O-N 2.84Å; G68-K72 PolarHBondContact O-N 3.23Å
69S82.9Confident81.4Confident58 Ų5863.1 Ų63.141%0.40632%0.317SS..Hα-helixtrans-67-42.6175.3-57.80000111.6W17 P65 A66 I67 K72 V73W17-S69 WeakPolarHBondContact CH2-OG 3.41Å; P65-S69 VanDerWaalsContact O-CB 3.31Å; P65-S69 WeakPolarHBondContact O-CB 3.28Å; P65-S69 PolarHBondContact O-N 3.49Å; P65-S69 PolarHBondContact O-OG 3.18Å; A66-S69 PolarHBondContact O-N 3.38Å; I67-S69 PolarHBondContact O-N 2.94Å; S69-K72 WeakPolarHBondContact O-CB 3.31Å; S69-K72 PolarHBondContact O-N 3.35Å; S69-V73 PolarHBondContact O-N 3Å
70W84.8Confident80.4Confident42 Ų4265.4 Ų65.416%0.15934%0.341CS..Hα-helixtrans-65.4-41.6-180-179.6-118.5000112.7A66 I67 K72 V73 L74 V92 D93 C96 F97A66-W70 VanDerWaalsContact O-CB 3.3Å; A66-W70 WeakPolarHBondContact O-CB 3.44Å; A66-W70 PolarHBondContact O-N 3.23Å; I67-W70 PolarHBondContact O-N 3.42Å; W70-K72 VanDerWaalsContact C-N 3.28Å; W70-K72 PolarHBondContact O-N 3.04Å; W70-V73 HydrophobicContact CE3-CB 4.23Å; W70-V73 HydrophobicContact CE3-CG1 4.28Å; W70-V73 HydrophobicContact CZ3-CG1 4.08Å; W70-V73 CarbonylContact O-C 3.59Å; W70-V73 WeakPolarHBondContact O-CA 3.42Å; W70-V73 WeakPolarHBondContact O-CB 3.5Å; W70-V73 PolarHBondContact O-N 3.3Å; W70-L74 VanDerWaalsContact CD1-CD1 3.5Å; W70-L74 HydrophobicContact CD2-CG 4.4Å; W70-L74 HydrophobicContact CG-CD1 4.31Å; W70-L74 HydrophobicContact CZ2-CD2 4.24Å; W70-L74 HydrophobicContact CZ2-CG 4.15Å; W70-L74 PolarHBondContact O-N 2.99Å; W70-V92 HydrophobicContact CH2-CG1 4.15Å; W70-V92 HydrophobicContact CZ2-CG1 3.94Å; W70-D93 VanDerWaalsContact CD1-OD1 3.3Å; W70-D93 PolarHBondContact NE1-OD1 3.37Å; W70-C96 HydrophobicContact CH2-CB 3.87Å; W70-C96 HydrophobicContact CZ2-CB 4.27Å; W70-F97 HydrophobicContact CB-CD2 3.75Å; W70-F97 HydrophobicContact CB-CE2 3.55Å; W70-F97 HydrophobicContact CB-CG 4.34Å; W70-F97 HydrophobicContact CB-CZ 3.98Å; W70-F97 AromaticContact CD1-CD1 3.58Å; W70-F97 AromaticContact CD1-CD2 3.72Å; W70-F97 AromaticContact CD1-CG 3.42Å; W70-F97 VanDerWaalsContact CD1-CG 3.42Å; W70-F97 HydrophobicContact CD2-CB 3.76Å; W70-F97 AromaticContact CD2-CD2 3.55Å; W70-F97 HydrophobicContact CD2-CD2 3.55Å; W70-F97 HydrophobicContact CD2-CE2 4.3Å; W70-F97 AromaticContact CD2-CG 3.76Å; W70-F97 HydrophobicContact CD2-CG 3.76Å; W70-F97 AromaticContact CE2-CG 3.73Å; W70-F97 HydrophobicContact CE3-CB 4.41Å; W70-F97 HydrophobicContact CE3-CD2 4Å; W70-F97 HydrophobicContact CG-CB 4.1Å; W70-F97 HydrophobicContact CG-CD1 4.11Å; W70-F97 AromaticContact CG-CD2 3.4Å; W70-F97 HydrophobicContact CG-CD2 3.4Å; W70-F97 HydrophobicContact CG-CE1 4.39Å; W70-F97 AromaticContact CG-CE2 3.73Å; W70-F97 HydrophobicContact CG-CE2 3.73Å; W70-F97 AromaticContact CG-CG 3.61Å; W70-F97 HydrophobicContact CG-CG 3.61Å; W70-F97 HydrophobicContact CG-CZ 4.22Å; W70-F97 HydrophobicContact CH2-CB 4.24Å; W70-F97 HydrophobicContact CZ2-CB 3.56Å; W70-F97 HydrophobicContact CZ2-CG 4.46Å; W70-F97 VanDerWaalsContact NE1-CB 3.25Å; W70-F97 AromaticContact NE1-CD1 3.82Å; W70-F97 AromaticContact NE1-CG 3.44Å
71Y79.3Confident79.5Confident121 Ų12166.9 Ų66.948%0.47537%0.373SS..Hα-helixtrans-60.4-37.4175.5-82.4-55.6000112.6I67 V73 L74 D75I67-Y71 HydrophobicContact CG2-CD2 3.46Å; I67-Y71 VanDerWaalsContact CG2-CD2 3.46Å; I67-Y71 HydrophobicContact CG2-CE2 3.21Å; I67-Y71 VanDerWaalsContact O-CD2 3.26Å; I67-Y71 WeakPolarHBondContact O-CD2 3.45Å; I67-Y71 PolarHBondContact O-N 3.24Å; Y71-V73 VanDerWaalsContact C-N 3.29Å; Y71-V73 PolarHBondContact O-N 2.84Å; Y71-L74 HydrophobicContact CD1-CD1 4.03Å; Y71-L74 HydrophobicContact CE1-CD1 4.35Å; Y71-L74 PolarHBondContact O-N 3.01Å; Y71-D75 WeakPolarHBondContact O-CB 3.31Å; Y71-D75 PolarHBondContact O-N 2.82Å
72K81.2Confident79Confident114 Ų11463.1 Ų63.150%0.49636%0.364SS..Hα-helixtrans-60.9-38.7172-74.7-175.6174.4162.20112.4W17 G68 S69 W70 K76W17-K72 VanDerWaalsContact CE2-CE 3.41Å; W17-K72 HydrophobicContact CH2-CD 4.46Å; W17-K72 HydrophobicContact CZ2-CD 3.55Å; W17-K72 HydrophobicContact CZ2-CG 4.17Å; W17-K72 VanDerWaalsContact NE1-NZ 3.14Å; G68-K72 PolarHBondContact O-N 3.23Å; S69-K72 WeakPolarHBondContact O-CB 3.31Å; S69-K72 PolarHBondContact O-N 3.35Å; W70-K72 VanDerWaalsContact C-N 3.28Å; W70-K72 PolarHBondContact O-N 3.04Å; K72-K76 WeakPolarHBondContact O-CG 3.49Å; K72-K76 PolarHBondContact O-N 3.32Å
73V84.7Confident78.3Confident64 Ų6467.2 Ų67.239%0.38838%0.382SS..Hα-helixtrans-68.1-46.4176.9174.30000110.3S69 W70 Y71 D75 K76 L77S69-V73 PolarHBondContact O-N 3Å; W70-V73 HydrophobicContact CE3-CB 4.23Å; W70-V73 HydrophobicContact CE3-CG1 4.28Å; W70-V73 HydrophobicContact CZ3-CG1 4.08Å; W70-V73 CarbonylContact O-C 3.59Å; W70-V73 WeakPolarHBondContact O-CA 3.42Å; W70-V73 WeakPolarHBondContact O-CB 3.5Å; W70-V73 PolarHBondContact O-N 3.3Å; Y71-V73 VanDerWaalsContact C-N 3.29Å; Y71-V73 PolarHBondContact O-N 2.84Å; V73-D75 VanDerWaalsContact C-N 3.32Å; V73-D75 PolarHBondContact O-N 3.5Å; V73-K76 PolarHBondContact O-N 3.33Å; V73-K76 VanDerWaalsContact O-N 3.14Å; V73-L77 HydrophobicContact CG1-CD1 3.72Å; V73-L77 HydrophobicContact CG1-CG 4.23Å; V73-L77 WeakPolarHBondContact O-CG 3.37Å; V73-L77 PolarHBondContact O-N 2.69Å
74L79.6Confident77.9Confident3 Ų370.4 Ų70.42%0.01640%0.404CS..Hα-helixtrans-58.7-40.7176.3-84.7169000113W70 Y71 K76 L77 V78 K89 V92 D93W70-L74 VanDerWaalsContact CD1-CD1 3.5Å; W70-L74 HydrophobicContact CD2-CG 4.4Å; W70-L74 HydrophobicContact CG-CD1 4.31Å; W70-L74 HydrophobicContact CZ2-CD2 4.24Å; W70-L74 HydrophobicContact CZ2-CG 4.15Å; W70-L74 PolarHBondContact O-N 2.99Å; Y71-L74 HydrophobicContact CD1-CD1 4.03Å; Y71-L74 HydrophobicContact CE1-CD1 4.35Å; Y71-L74 PolarHBondContact O-N 3.01Å; L74-K76 VanDerWaalsContact C-N 3.3Å; L74-K76 PolarHBondContact O-N 3.21Å; L74-L77 PolarHBondContact O-N 3.32Å; L74-V78 PolarHBondContact O-N 3Å; L74-K89 HydrophobicContact CD2-CB 4.16Å; L74-K89 HydrophobicContact CD2-CG 4.28Å; L74-K89 WeakPolarHBondContact CD2-O 3.1Å; L74-V92 HydrophobicContact CD2-CB 4.06Å; L74-V92 HydrophobicContact CD2-CG1 3.93Å; L74-D93 HydrophobicContact CD1-CB 4.36Å
75D78.7Confident77.6Confident96 Ų9670.6 Ų70.651%0.51341%0.406SS..Hα-helixtrans-68.6-29.5178.1-77.6-16.8000112.7Y71 V73 K89Y71-D75 WeakPolarHBondContact O-CB 3.31Å; Y71-D75 PolarHBondContact O-N 2.82Å; V73-D75 VanDerWaalsContact C-N 3.32Å; V73-D75 PolarHBondContact O-N 3.5Å; D75-K89 IonicContact OD1-NZ 2.66Å; D75-K89 PolarHBondContact OD1-NZ 3.33Å
76K81.4Confident77.1Confident178 Ų17869.9 Ų69.977%0.77440%0.403SS*.Hα-helixtrans-75.4-38.9171.6-73.1-179.5179.2-173.60112.5K72 V73 L74K72-K76 WeakPolarHBondContact O-CG 3.49Å; K72-K76 PolarHBondContact O-N 3.32Å; V73-K76 PolarHBondContact O-N 3.33Å; V73-K76 VanDerWaalsContact O-N 3.14Å; L74-K76 VanDerWaalsContact C-N 3.3Å; L74-K76 PolarHBondContact O-N 3.21Å
77L79.4Confident76.8Confident112 Ų11271.8 Ų71.859%0.58641%0.409SS*.Hα-helixtrans-74.5-37-177.2-73.3173.6000112.8V73 L74 V92V73-L77 HydrophobicContact CG1-CD1 3.72Å; V73-L77 HydrophobicContact CG1-CG 4.23Å; V73-L77 WeakPolarHBondContact O-CG 3.37Å; V73-L77 PolarHBondContact O-N 2.69Å; L74-L77 PolarHBondContact O-N 3.32Å; L77-V92 HydrophobicContact CD1-CG1 4.41Å
78V76Confident76.9Confident17 Ų1775.6 Ų75.610%0.10342%0.424CS..SBendtrans-123.398.7-177.5-170.60000109.8L74 A85 K88 K89L74-V78 PolarHBondContact O-N 3Å; V78-A85 HydrophobicContact CG1-CB 3.81Å; V78-K88 HydrophobicContact CG1-CB 4.13Å; V78-K88 HydrophobicContact CG2-CB 4.26Å; V78-K89 HydrophobicContact CB-CD 4.32Å; V78-K89 HydrophobicContact CB-CG 3.61Å; V78-K89 HydrophobicContact CG1-CG 3.97Å; V78-K89 HydrophobicContact CG2-CG 3.85Å; V78-K89 WeakPolarHBondContact O-CE 3.45Å; V78-K89 PolarHBondContact O-NZ 2.93Å
79T68.4Low76.9Confident121 Ų12177.9 Ų77.974%0.74243%0.433SS*.  trans-86.4135174.754.20000110.4
80G62.3Low76.9Confident49 Ų4975.6 Ų75.651%0.50542%0.416SS..  trans123.4142.3175.600000114.5A85G80-A85 WeakPolarHBondContact O-CB 3.31Å
81G64.9Low76.9Confident91 Ų9178.1 Ų78.194%0.93843%0.432SS*.SBendtrans-92.615.1-179.900000114.7
82T74.1Confident77.3Confident92 Ų9274.3 Ų74.356%0.56442%0.422SS*.SBendtrans-83.1158.2-176.3620000111.8S84 A85 A86T82-S84 PolarHBondContact O-N 3.5Å; T82-A85 WeakPolarHBondContact O-CB 3.35Å; T82-A85 PolarHBondContact O-N 2.83Å; T82-A85 PolarHBondContact OG1-N 3.45Å; T82-A86 PolarHBondContact O-N 3.1Å
83K69.6Low77.4Confident137 Ų13770.4 Ų70.460%0.59641%0.406SS*.Hα-helixtrans-55.7-34.4175.8-63.2-175.4-177.4-172.90112.2A86 M87K83-A86 PolarHBondContact O-N 2.9Å; K83-M87 PolarHBondContact O-N 3.4Å; K83-M87 VanDerWaalsContact O-N 3.11Å
84S73.9Confident77.3Confident73 Ų7368 Ų6851%0.5139%0.391SS..Hα-helixtrans-65.3-40.4176-179.10000112.5T82 A86 M87 K88T82-S84 PolarHBondContact O-N 3.5Å; S84-A86 VanDerWaalsContact C-N 3.32Å; S84-A86 PolarHBondContact O-N 3.5Å; S84-M87 PolarHBondContact O-N 3.4Å; S84-K88 WeakPolarHBondContact O-CG 3.33Å; S84-K88 PolarHBondContact O-N 2.89Å
85A76.6Confident77.6Confident6 Ų673.6 Ų73.65%0.0542%0.42CS..Hα-helixtrans-62.7-40.1174.700000111.7V78 G80 T82 M87 K88 K89V78-A85 HydrophobicContact CG1-CB 3.81Å; G80-A85 WeakPolarHBondContact O-CB 3.31Å; T82-A85 WeakPolarHBondContact O-CB 3.35Å; T82-A85 PolarHBondContact O-N 2.83Å; T82-A85 PolarHBondContact OG1-N 3.45Å; A85-M87 PolarHBondContact O-N 3.27Å; A85-K88 PolarHBondContact O-N 3.04Å; A85-K89 WeakPolarHBondContact O-CG 3.44Å; A85-K89 PolarHBondContact O-N 3.31Å
86A74.9Confident77.9Confident25 Ų2572.3 Ų72.321%0.20742%0.417CS..Hα-helixtrans-66.5-38177.900000112.7T82 K83 S84 K89 M90 F147T82-A86 PolarHBondContact O-N 3.1Å; K83-A86 PolarHBondContact O-N 2.9Å; S84-A86 VanDerWaalsContact C-N 3.32Å; S84-A86 PolarHBondContact O-N 3.5Å; A86-K89 PolarHBondContact O-N 3.49Å; A86-M90 PolarHBondContact O-N 2.94Å; A86-F147 HydrophobicContact CB-CD1 3.93Å; A86-F147 HydrophobicContact CB-CE1 3.26Å; A86-F147 HydrophobicContact CB-CE2 4.02Å; A86-F147 HydrophobicContact CB-CZ 3.33Å
87M78.4Confident78.1Confident64 Ų6465.4 Ų65.432%0.31539%0.387SS..Hα-helixtrans-62.8-45.5172.5-1726469.700111.8K83 S84 A85 K89 M90 L91 I144K83-M87 PolarHBondContact O-N 3.4Å; K83-M87 VanDerWaalsContact O-N 3.11Å; S84-M87 PolarHBondContact O-N 3.4Å; A85-M87 PolarHBondContact O-N 3.27Å; M87-K89 PolarHBondContact O-N 3.28Å; M87-M90 HydrophobicContact CE-CE 4.28Å; M87-M90 PolarHBondContact O-N 3.47Å; M87-M90 HydrophobicContact SD-CE 3.28Å; M87-M90 WeakPolarHBondContact SD-CE 3.26Å; M87-L91 HydrophobicContact CG-CD1 4.46Å; M87-L91 WeakPolarHBondContact O-CG 3.25Å; M87-L91 PolarHBondContact O-N 2.71Å; M87-I144 HydrophobicContact CE-CG1 4Å
88K82.8Confident78.4Confident123 Ų12360.3 Ų60.354%0.53536%0.361SS..Hα-helixtrans-61-44.6176-72.8-179.3-178.2-175.30111.7V78 S84 A85 M90 L91 V92V78-K88 HydrophobicContact CG1-CB 4.13Å; V78-K88 HydrophobicContact CG2-CB 4.26Å; S84-K88 WeakPolarHBondContact O-CG 3.33Å; S84-K88 PolarHBondContact O-N 2.89Å; A85-K88 PolarHBondContact O-N 3.04Å; K88-M90 VanDerWaalsContact C-N 3.31Å; K88-M90 PolarHBondContact O-N 3.36Å; K88-L91 PolarHBondContact O-N 2.8Å; K88-V92 WeakPolarHBondContact O-CG2 3.46Å; K88-V92 PolarHBondContact O-N 2.85Å
89K81.5Confident78.9Confident50 Ų5060.4 Ų60.422%0.21736%0.363CS..Hα-helixtrans-58-44.2175.3-74.7-176.7-179.7-1740111.4L74 D75 V78 A85 A86 M87 D93L74-K89 HydrophobicContact CD2-CB 4.16Å; L74-K89 HydrophobicContact CD2-CG 4.28Å; L74-K89 WeakPolarHBondContact CD2-O 3.1Å; D75-K89 IonicContact OD1-NZ 2.66Å; D75-K89 PolarHBondContact OD1-NZ 3.33Å; V78-K89 HydrophobicContact CB-CD 4.32Å; V78-K89 HydrophobicContact CB-CG 3.61Å; V78-K89 HydrophobicContact CG1-CG 3.97Å; V78-K89 HydrophobicContact CG2-CG 3.85Å; V78-K89 WeakPolarHBondContact O-CE 3.45Å; V78-K89 PolarHBondContact O-NZ 2.93Å; A85-K89 WeakPolarHBondContact O-CG 3.44Å; A85-K89 PolarHBondContact O-N 3.31Å; A86-K89 PolarHBondContact O-N 3.49Å; M87-K89 PolarHBondContact O-N 3.28Å; K89-D93 VanDerWaalsContact O-CB 3.25Å; K89-D93 WeakPolarHBondContact O-CB 3.49Å; K89-D93 PolarHBondContact O-N 2.94Å
90M83.2Confident79.8Confident10 Ų1059 Ų595%0.04936%0.357CS..Hα-helixtrans-60.9-49175172174.660.900111.9A86 M87 K88 V92 D93 Q94 Q143 I144A86-M90 PolarHBondContact O-N 2.94Å; M87-M90 HydrophobicContact CE-CE 4.28Å; M87-M90 PolarHBondContact O-N 3.47Å; M87-M90 HydrophobicContact SD-CE 3.28Å; M87-M90 WeakPolarHBondContact SD-CE 3.26Å; K88-M90 VanDerWaalsContact C-N 3.31Å; K88-M90 PolarHBondContact O-N 3.36Å; M90-V92 VanDerWaalsContact C-N 3.29Å; M90-V92 PolarHBondContact O-N 3.08Å; M90-D93 WeakPolarHBondContact O-CB 3.41Å; M90-D93 PolarHBondContact O-N 3.36Å; M90-Q94 HydrophobicContact CG-CG 3.91Å; M90-Q94 WeakPolarHBondContact O-CB 3.25Å; M90-Q94 VanDerWaalsContact O-CG 3.25Å; M90-Q94 WeakPolarHBondContact O-CG 3.47Å; M90-Q94 PolarHBondContact O-N 3.01Å; M90-Q143 HydrophobicContact CE-CB 3.78Å; M90-Q143 HydrophobicContact CG-CB 4.45Å; M90-Q143 HydrophobicContact CG-CG 4.37Å; M90-Q143 HydrophobicContact SD-CB 3.03Å; M90-Q143 WeakPolarHBondContact SD-CB 3.43Å; M90-Q143 HydrophobicContact SD-CG 3.38Å; M90-Q143 WeakPolarHBondContact SD-CG 3.36Å; M90-I144 HydrophobicContact CE-CG1 4.28Å
91L84.5Confident81.1Confident94 Ų9458 Ų5849%0.49234%0.338SS..Hα-helixtrans-60.8-42.5-177.3-70.7172.6000111.4M87 K88 Q94 L95M87-L91 HydrophobicContact CG-CD1 4.46Å; M87-L91 WeakPolarHBondContact O-CG 3.25Å; M87-L91 PolarHBondContact O-N 2.71Å; K88-L91 PolarHBondContact O-N 2.8Å; L91-Q94 PolarHBondContact O-N 3.32Å; L91-L95 WeakPolarHBondContact O-CB 3.44Å; L91-L95 VanDerWaalsContact O-CG 3.24Å; L91-L95 WeakPolarHBondContact O-CG 3.39Å; L91-L95 PolarHBondContact O-N 3.13Å
92V86.6Confident82.1Confident42 Ų4253.7 Ų53.726%0.25529%0.294SS..Hα-helixtrans-64.1-42.8175.71750000111.2W70 L74 L77 K88 M90 C96W70-V92 HydrophobicContact CH2-CG1 4.15Å; W70-V92 HydrophobicContact CZ2-CG1 3.94Å; L74-V92 HydrophobicContact CD2-CB 4.06Å; L74-V92 HydrophobicContact CD2-CG1 3.93Å; L77-V92 HydrophobicContact CD1-CG1 4.41Å; K88-V92 WeakPolarHBondContact O-CG2 3.46Å; K88-V92 PolarHBondContact O-N 2.85Å; M90-V92 VanDerWaalsContact C-N 3.29Å; M90-V92 PolarHBondContact O-N 3.08Å; V92-C96 VanDerWaalsContact O-CB 3.31Å; V92-C96 WeakPolarHBondContact O-CB 3.42Å; V92-C96 PolarHBondContact O-N 2.73Å
93D84.4Confident82.7Confident32 Ų3250 Ų5017%0.17127%0.274CS..Iπ-helixtrans-59.5-48.8175.7-178.275.1000112.2W70 L74 K89 M90 F97 A98W70-D93 VanDerWaalsContact CD1-OD1 3.3Å; W70-D93 PolarHBondContact NE1-OD1 3.37Å; L74-D93 HydrophobicContact CD1-CB 4.36Å; K89-D93 VanDerWaalsContact O-CB 3.25Å; K89-D93 WeakPolarHBondContact O-CB 3.49Å; K89-D93 PolarHBondContact O-N 2.94Å; M90-D93 WeakPolarHBondContact O-CB 3.41Å; M90-D93 PolarHBondContact O-N 3.36Å; D93-F97 CarbonylContact O-C 3.58Å; D93-F97 WeakPolarHBondContact O-CA 3.16Å; D93-F97 WeakPolarHBondContact O-CB 3.36Å; D93-F97 PolarHBondContact O-N 2.53Å; D93-F97 WeakPolarHBondContact OD1-CD1 3.29Å; D93-A98 PolarHBondContact O-N 2.96Å
94Q83.1Confident83.6Confident14 Ų1445.2 Ų45.27%0.06526%0.26CS..Iπ-helixtrans-68-40.6-178.4-65-61.4-63.700111.8M90 L91 A98 P99 N135 Y136 P140M90-Q94 HydrophobicContact CG-CG 3.91Å; M90-Q94 WeakPolarHBondContact O-CB 3.25Å; M90-Q94 VanDerWaalsContact O-CG 3.25Å; M90-Q94 WeakPolarHBondContact O-CG 3.47Å; M90-Q94 PolarHBondContact O-N 3.01Å; L91-Q94 PolarHBondContact O-N 3.32Å; Q94-A98 WeakPolarHBondContact O-CB 3.48Å; Q94-P99 WeakPolarHBondContact O-CD 3.35Å; Q94-N135 PolarHBondContact OE1-ND2 2.79Å; Q94-Y136 HydrophobicContact CB-CD1 4.38Å; Q94-Y136 HydrophobicContact CB-CE1 4.04Å; Q94-Y136 VanDerWaalsContact O-CE1 3.28Å; Q94-Y136 WeakPolarHBondContact O-CE1 3.29Å; Q94-Y136 PolarHBondContact O-OH 2.85Å; Q94-Y136 VanDerWaalsContact O-OH 3.09Å; Q94-P140 HydrophobicContact CG-CG 4.48Å
95L84.8Confident84.3Confident120 Ų12041.8 Ų41.863%0.62824%0.236SC*.Iπ-helixtrans-79.5-33-176.3-67.5174000113.8L91 P99L91-L95 WeakPolarHBondContact O-CB 3.44Å; L91-L95 VanDerWaalsContact O-CG 3.24Å; L91-L95 WeakPolarHBondContact O-CG 3.39Å; L91-L95 PolarHBondContact O-N 3.13Å; L95-P99 WeakPolarHBondContact O-CG 3.27Å
96C85.2Confident84.7Confident68 Ų6842 Ų4246%0.45924%0.237SC..Iπ-helixtrans-106.9-45.7-173.5-59.50000112.7W70 V92 C100W70-C96 HydrophobicContact CH2-CB 3.87Å; W70-C96 HydrophobicContact CZ2-CB 4.27Å; V92-C96 VanDerWaalsContact O-CB 3.31Å; V92-C96 WeakPolarHBondContact O-CB 3.42Å; V92-C96 PolarHBondContact O-N 2.73Å; C96-C100 PolarHBondContact O-SG 2.76Å; C96-C100 VanDerWaalsContact O-SG 3.35Å
97F85.5Confident85.3Confident33 Ų3341.5 Ų41.515%0.14523%0.234CC..Iπ-helixtrans-90-46.8-171.2-176.7-105.9000112.6A66 I67 W70 D93 C100 F101A66-F97 HydrophobicContact CB-CZ 4.36Å; I67-F97 HydrophobicContact CG1-CE1 4.14Å; I67-F97 HydrophobicContact CG1-CZ 4.07Å; W70-F97 HydrophobicContact CB-CD2 3.75Å; W70-F97 HydrophobicContact CB-CE2 3.55Å; W70-F97 HydrophobicContact CB-CG 4.34Å; W70-F97 HydrophobicContact CB-CZ 3.98Å; W70-F97 AromaticContact CD1-CD1 3.58Å; W70-F97 AromaticContact CD1-CD2 3.72Å; W70-F97 AromaticContact CD1-CG 3.42Å; W70-F97 VanDerWaalsContact CD1-CG 3.42Å; W70-F97 HydrophobicContact CD2-CB 3.76Å; W70-F97 AromaticContact CD2-CD2 3.55Å; W70-F97 HydrophobicContact CD2-CD2 3.55Å; W70-F97 HydrophobicContact CD2-CE2 4.3Å; W70-F97 AromaticContact CD2-CG 3.76Å; W70-F97 HydrophobicContact CD2-CG 3.76Å; W70-F97 AromaticContact CE2-CG 3.73Å; W70-F97 HydrophobicContact CE3-CB 4.41Å; W70-F97 HydrophobicContact CE3-CD2 4Å; W70-F97 HydrophobicContact CG-CB 4.1Å; W70-F97 HydrophobicContact CG-CD1 4.11Å; W70-F97 AromaticContact CG-CD2 3.4Å; W70-F97 HydrophobicContact CG-CD2 3.4Å; W70-F97 HydrophobicContact CG-CE1 4.39Å; W70-F97 AromaticContact CG-CE2 3.73Å; W70-F97 HydrophobicContact CG-CE2 3.73Å; W70-F97 AromaticContact CG-CG 3.61Å; W70-F97 HydrophobicContact CG-CG 3.61Å; W70-F97 HydrophobicContact CG-CZ 4.22Å; W70-F97 HydrophobicContact CH2-CB 4.24Å; W70-F97 HydrophobicContact CZ2-CB 3.56Å; W70-F97 HydrophobicContact CZ2-CG 4.46Å; W70-F97 VanDerWaalsContact NE1-CB 3.25Å; W70-F97 AromaticContact NE1-CD1 3.82Å; W70-F97 AromaticContact NE1-CG 3.44Å; D93-F97 CarbonylContact O-C 3.58Å; D93-F97 WeakPolarHBondContact O-CA 3.16Å; D93-F97 WeakPolarHBondContact O-CB 3.36Å; D93-F97 PolarHBondContact O-N 2.53Å; D93-F97 WeakPolarHBondContact OD1-CD1 3.29Å; F97-C100 PolarHBondContact O-N 3.26Å; F97-F101 HydrophobicContact CD1-CB 4.15Å; F97-F101 HydrophobicContact CE1-CB 3.95Å; F97-F101 AromaticContact CE1-CD2 3.86Å; F97-F101 HydrophobicContact CE1-CD2 3.86Å; F97-F101 AromaticContact CE1-CG 3.9Å; F97-F101 HydrophobicContact CE1-CG 3.9Å; F97-F101 HydrophobicContact CE2-CB 4.38Å; F97-F101 HydrophobicContact CE2-CD2 4.35Å; F97-F101 HydrophobicContact CG-CB 4.45Å; F97-F101 HydrophobicContact CZ-CB 4.07Å; F97-F101 AromaticContact CZ-CD2 3.57Å; F97-F101 HydrophobicContact CZ-CD2 3.57Å; F97-F101 HydrophobicContact CZ-CE2 4.33Å; F97-F101 HydrophobicContact CZ-CG 4.02Å; F97-F101 WeakPolarHBondContact O-CB 3.43Å; F97-F101 PolarHBondContact O-N 2.8Å
98A85.4Confident85.7Confident5 Ų541.2 Ų41.24%0.04123%0.233CC..Hα-helixtrans-52.6-47.9179.900000114D93 Q94 L102D93-A98 PolarHBondContact O-N 2.96Å; Q94-A98 WeakPolarHBondContact O-CB 3.48Å; A98-L102 VanDerWaalsContact O-CB 3.27Å; A98-L102 WeakPolarHBondContact O-CB 3.37Å; A98-L102 VanDerWaalsContact O-CG 3.23Å; A98-L102 WeakPolarHBondContact O-CG 3.17Å; A98-L102 PolarHBondContact O-N 3.12Å
99P86.9Confident85.8Confident20 Ų2035.4 Ų35.413%0.1321%0.207CC..Hα-helixtrans-63.2-48.4177.721.7-32.5000112.6Q94 L95 F101 G103 Y128 L132Q94-P99 WeakPolarHBondContact O-CD 3.35Å; L95-P99 WeakPolarHBondContact O-CG 3.27Å; P99-F101 PolarHBondContact O-N 3.26Å; P99-G103 PolarHBondContact O-N 3.43Å; P99-Y128 WeakPolarHBondContact CA-OH 3.29Å; P99-Y128 WeakPolarHBondContact CB-OH 3.18Å; P99-Y128 WeakPolarHBondContact O-CE2 3.38Å; P99-Y128 PolarHBondContact O-OH 2.99Å; P99-L132 HydrophobicContact CB-CD1 4.07Å; P99-L132 HydrophobicContact CB-CD2 4.49Å
100C88.3Confident86Confident91 Ų9133 Ų3362%0.61520%0.197SC*.Hα-helixtrans-63.1-43.5179.4-65.60000111.8C96 F97 A104C96-C100 PolarHBondContact O-SG 2.76Å; C96-C100 VanDerWaalsContact O-SG 3.35Å; F97-C100 PolarHBondContact O-N 3.26Å; C100-A104 WeakPolarHBondContact O-CB 3.26Å; C100-A104 PolarHBondContact O-N 2.89Å
101F87.6Confident86.1Confident27 Ų2737 Ų3712%0.11822%0.222CC..Hα-helixtrans-65.8-47.2-179.5177.8-95.5000111.8F62 V63 A66 I67 F97 P99 A104 F105F62-F101 HydrophobicContact CD1-CE2 4.46Å; F62-F101 HydrophobicContact CE1-CD2 4.07Å; F62-F101 AromaticContact CE1-CE2 3.98Å; F62-F101 HydrophobicContact CE1-CE2 3.98Å; F62-F101 HydrophobicContact CZ-CD2 4.48Å; V63-F101 HydrophobicContact CB-CE2 4.31Å; V63-F101 HydrophobicContact CB-CZ 4.22Å; V63-F101 HydrophobicContact CG1-CE2 4.1Å; V63-F101 HydrophobicContact CG1-CZ 3.78Å; V63-F101 HydrophobicContact CG2-CE2 4.12Å; V63-F101 HydrophobicContact CG2-CZ 3.8Å; A66-F101 HydrophobicContact CB-CD2 4.49Å; I67-F101 HydrophobicContact CG1-CE2 4.29Å; F97-F101 HydrophobicContact CD1-CB 4.15Å; F97-F101 HydrophobicContact CE1-CB 3.95Å; F97-F101 AromaticContact CE1-CD2 3.86Å; F97-F101 HydrophobicContact CE1-CD2 3.86Å; F97-F101 AromaticContact CE1-CG 3.9Å; F97-F101 HydrophobicContact CE1-CG 3.9Å; F97-F101 HydrophobicContact CE2-CB 4.38Å; F97-F101 HydrophobicContact CE2-CD2 4.35Å; F97-F101 HydrophobicContact CG-CB 4.45Å; F97-F101 HydrophobicContact CZ-CB 4.07Å; F97-F101 AromaticContact CZ-CD2 3.57Å; F97-F101 HydrophobicContact CZ-CD2 3.57Å; F97-F101 HydrophobicContact CZ-CE2 4.33Å; F97-F101 HydrophobicContact CZ-CG 4.02Å; F97-F101 WeakPolarHBondContact O-CB 3.43Å; F97-F101 PolarHBondContact O-N 2.8Å; P99-F101 PolarHBondContact O-N 3.26Å; F101-A104 PolarHBondContact O-N 3.48Å; F101-F105 VanDerWaalsContact O-CB 3.24Å; F101-F105 WeakPolarHBondContact O-CB 3.44Å; F101-F105 PolarHBondContact O-N 2.77Å
102L86.7Confident86.1Confident1 Ų136 Ų361%0.00522%0.217CC..Hα-helixtrans-65-40.9178.3-74170.4000111.7A98 F105 L106 Y128 L132 N135 W166 L170A98-L102 VanDerWaalsContact O-CB 3.27Å; A98-L102 WeakPolarHBondContact O-CB 3.37Å; A98-L102 VanDerWaalsContact O-CG 3.23Å; A98-L102 WeakPolarHBondContact O-CG 3.17Å; A98-L102 PolarHBondContact O-N 3.12Å; L102-F105 PolarHBondContact O-N 3.45Å; L102-L106 WeakPolarHBondContact O-CB 3.41Å; L102-L106 WeakPolarHBondContact O-CG 3.23Å; L102-L106 PolarHBondContact O-N 2.85Å; L102-Y128 HydrophobicContact CB-CE2 4.36Å; L102-L132 HydrophobicContact CD1-CD1 4.05Å; L102-N135 HydrophobicContact CD1-CB 3.84Å; L102-W166 HydrophobicContact CD1-CZ2 4.47Å; L102-W166 HydrophobicContact CD2-CZ2 4Å; L102-L170 HydrophobicContact CD2-CD1 4.12Å; L102-L170 HydrophobicContact CD2-CD2 3.58Å
103G87Confident85.8Confident15 Ų1536.3 Ų36.316%0.15522%0.217CC..Hα-helixtrans-59.9-49.7176.600000111.7P99 G107P99-G103 PolarHBondContact O-N 3.43Å; G103-G107 PolarHBondContact O-N 3.34Å
104A88.4Confident85.7Confident36 Ų3638 Ų3830%0.29824%0.242SC..Hα-helixtrans-66.7-39.9177.600000112.7F62 C100 F101 G107 I108F62-A104 HydrophobicContact CE1-CB 4Å; F62-A104 HydrophobicContact CE2-CB 4.04Å; F62-A104 HydrophobicContact CZ-CB 3.33Å; C100-A104 WeakPolarHBondContact O-CB 3.26Å; C100-A104 PolarHBondContact O-N 2.89Å; F101-A104 PolarHBondContact O-N 3.48Å; A104-G107 PolarHBondContact O-N 3.45Å; A104-I108 WeakPolarHBondContact O-CB 3.48Å; A104-I108 WeakPolarHBondContact O-CD1 3.25Å; A104-I108 WeakPolarHBondContact O-CG1 3.42Å; A104-I108 PolarHBondContact O-N 2.83Å
105F87.8Confident85.9Confident2 Ų238.6 Ų38.61%0.00925%0.245CC..Hα-helixtrans-61.6-49.6177.6-179.4-89.1000111.7M55 I58 F62 V63 F101 L102 S109 L170 A174M55-F105 HydrophobicContact SD-CZ 4.21Å; I58-F105 HydrophobicContact CB-CE2 4.49Å; I58-F105 HydrophobicContact CG2-CD2 3.63Å; I58-F105 HydrophobicContact CG2-CE2 3.57Å; F62-F105 HydrophobicContact CE1-CB 4.41Å; V63-F105 HydrophobicContact CG2-CD2 4.02Å; V63-F105 HydrophobicContact CG2-CE2 4.17Å; F101-F105 VanDerWaalsContact O-CB 3.24Å; F101-F105 WeakPolarHBondContact O-CB 3.44Å; F101-F105 PolarHBondContact O-N 2.77Å; L102-F105 PolarHBondContact O-N 3.45Å; F105-S109 VanDerWaalsContact O-CB 3.25Å; F105-S109 WeakPolarHBondContact O-CB 3.47Å; F105-S109 PolarHBondContact O-N 3.39Å; F105-L170 HydrophobicContact CE1-CB 4.03Å; F105-L170 HydrophobicContact CZ-CB 4.49Å; F105-A174 HydrophobicContact CE1-CB 4.24Å
106L86.6Confident86.1Confident11 Ų1136.1 Ų36.16%0.05824%0.235CC..Hα-helixtrans-64.9-41.3177.9-70.7174.8000111.3L102 S109 G110 L124 A131 A174L102-L106 WeakPolarHBondContact O-CB 3.41Å; L102-L106 WeakPolarHBondContact O-CG 3.23Å; L102-L106 PolarHBondContact O-N 2.85Å; L106-S109 PolarHBondContact O-N 3.35Å; L106-G110 PolarHBondContact O-N 3.1Å; L106-L124 HydrophobicContact CB-CD1 3.54Å; L106-L124 HydrophobicContact CD1-CD1 4.11Å; L106-L124 HydrophobicContact CG-CD1 4.48Å; L106-A131 HydrophobicContact CD1-CB 4.3Å; L106-A174 HydrophobicContact CD2-CB 4.1Å
107G86.7Confident86.1Confident14 Ų1438.2 Ų38.214%0.14425%0.246CC..Hα-helixtrans-62.9-49.8176.900000113G103 A104 S109 G110 T111 N120G103-G107 PolarHBondContact O-N 3.34Å; A104-G107 PolarHBondContact O-N 3.45Å; G107-S109 VanDerWaalsContact C-N 3.3Å; G107-S109 PolarHBondContact O-N 3.48Å; G107-G110 PolarHBondContact O-N 2.95Å; G107-T111 PolarHBondContact O-N 2.87Å; G107-T111 VanDerWaalsContact O-N 3.08Å; G107-T111 PolarHBondContact O-OG1 2.66Å; G107-N120 PolarHBondContact O-ND2 2.89Å
108I87.4Confident86.2Confident58 Ų5843.7 Ų43.730%0.29727%0.272SS..Hα-helixtrans-61.6-42176.8-68.3165.9000110.2I58 F62 A104 G110 T111 L112I58-I108 HydrophobicContact CD1-CG2 4.4Å; I58-I108 HydrophobicContact CG1-CG2 4.03Å; F62-I108 HydrophobicContact CB-CD1 4.18Å; F62-I108 HydrophobicContact CD1-CD1 3.87Å; F62-I108 HydrophobicContact CD2-CD1 3.43Å; F62-I108 VanDerWaalsContact CD2-CD1 3.43Å; F62-I108 HydrophobicContact CE1-CD1 4.13Å; F62-I108 HydrophobicContact CE2-CD1 3.72Å; F62-I108 HydrophobicContact CG-CD1 3.53Å; F62-I108 HydrophobicContact CZ-CD1 4.08Å; A104-I108 WeakPolarHBondContact O-CB 3.48Å; A104-I108 WeakPolarHBondContact O-CD1 3.25Å; A104-I108 WeakPolarHBondContact O-CG1 3.42Å; A104-I108 PolarHBondContact O-N 2.83Å; I108-G110 PolarHBondContact O-N 3.34Å; I108-T111 PolarHBondContact O-N 3.42Å; I108-L112 HydrophobicContact CG2-CD1 3.93Å; I108-L112 HydrophobicContact CG2-CG 4.42Å; I108-L112 WeakPolarHBondContact O-CB 3.47Å; I108-L112 WeakPolarHBondContact O-CG 3.36Å; I108-L112 PolarHBondContact O-N 2.93Å
109S85.3Confident86.3Confident0 Ų048.2 Ų48.20%029%0.292CS..Hα-helixtrans-63.1-40.5177.4-175.10000112.6M55 F105 L106 G107 L112 N113 A174M55-S109 WeakPolarHBondContact CE-OG 3.03Å; F105-S109 VanDerWaalsContact O-CB 3.25Å; F105-S109 WeakPolarHBondContact O-CB 3.47Å; F105-S109 PolarHBondContact O-N 3.39Å; L106-S109 PolarHBondContact O-N 3.35Å; G107-S109 VanDerWaalsContact C-N 3.3Å; G107-S109 PolarHBondContact O-N 3.48Å; S109-L112 PolarHBondContact O-N 3.2Å; S109-N113 WeakPolarHBondContact O-CB 3.47Å; S109-N113 VanDerWaalsContact O-CG 3.3Å; S109-N113 PolarHBondContact O-N 2.94Å; S109-N113 PolarHBondContact O-ND2 2.98Å; S109-A174 WeakPolarHBondContact OG-CB 3.46Å
110G83.9Confident86.3Confident1 Ų148.1 Ų48.11%0.0129%0.291CS..Hα-helixtrans-63.6-44177.100000111.9L106 G107 I108 L112 N113 G114 L115 N120L106-G110 PolarHBondContact O-N 3.1Å; G107-G110 PolarHBondContact O-N 2.95Å; I108-G110 PolarHBondContact O-N 3.34Å; G110-L112 PolarHBondContact O-N 3.44Å; G110-N113 PolarHBondContact O-N 3.44Å; G110-N113 VanDerWaalsContact O-N 3.14Å; G110-G114 PolarHBondContact O-N 2.81Å; G110-L115 WeakPolarHBondContact O-CB 3.27Å; G110-L115 PolarHBondContact O-N 3.25Å; G110-N120 WeakPolarHBondContact CA-OD1 3.33Å
111T86.3Confident86.3Confident93 Ų9347 Ų4757%0.57128%0.281SS*.Hα-helixtrans-61.9-43.9175.3-54.30000111.8G107 I108 N113 G114 N120G107-T111 PolarHBondContact O-N 2.87Å; G107-T111 VanDerWaalsContact O-N 3.08Å; G107-T111 PolarHBondContact O-OG1 2.66Å; I108-T111 PolarHBondContact O-N 3.42Å; T111-N113 PolarHBondContact O-N 2.94Å; T111-G114 PolarHBondContact O-N 2.91Å; T111-N120 PolarHBondContact OG1-ND2 2.84Å; T111-N120 VanDerWaalsContact OG1-ND2 3.11Å
112L84.1Confident86.3Confident72 Ų7248.6 Ų48.638%0.37730%0.299SS..Hα-helixtrans-67.5-23.4176.6-76.4173.9000113.3K54 I58 I108 S109 G110K54-L112 VanDerWaalsContact CE-O 3.3Å; K54-L112 WeakPolarHBondContact CE-O 3.24Å; K54-L112 PolarHBondContact NZ-O 3.09Å; I58-L112 HydrophobicContact CD1-CD1 3.73Å; I58-L112 HydrophobicContact CG1-CD1 3.38Å; I108-L112 HydrophobicContact CG2-CD1 3.93Å; I108-L112 HydrophobicContact CG2-CG 4.42Å; I108-L112 WeakPolarHBondContact O-CB 3.47Å; I108-L112 WeakPolarHBondContact O-CG 3.36Å; I108-L112 PolarHBondContact O-N 2.93Å; S109-L112 PolarHBondContact O-N 3.2Å; G110-L112 PolarHBondContact O-N 3.44Å
113N81.1Confident86.3Confident50 Ų5049.6 Ų49.627%0.26730%0.303SS..THydrogen-bonded Turntrans-80.9-2.5172.4-76.6-23.6000113.2S109 G110 T111 N175S109-N113 WeakPolarHBondContact O-CB 3.47Å; S109-N113 VanDerWaalsContact O-CG 3.3Å; S109-N113 PolarHBondContact O-N 2.94Å; S109-N113 PolarHBondContact O-ND2 2.98Å; G110-N113 PolarHBondContact O-N 3.44Å; G110-N113 VanDerWaalsContact O-N 3.14Å; T111-N113 PolarHBondContact O-N 2.94Å; N113-N175 PolarHBondContact ND2-OD1 3.32Å; N113-N175 VanDerWaalsContact ND2-OD1 3.09Å
114G82.8Confident86.3Confident66 Ų6651.1 Ų51.168%0.6831%0.308SS*.THydrogen-bonded Turntrans82.616.4176.300000114.2G110 T111G110-G114 PolarHBondContact O-N 2.81Å; T111-G114 PolarHBondContact O-N 2.91Å
115L85.8Confident86.3Confident28 Ų2857.1 Ų57.115%0.14733%0.327CS..  trans-67.8146174.5-63.4177.1000110.6G110 E119 N120 K123 M177G110-L115 WeakPolarHBondContact O-CB 3.27Å; G110-L115 PolarHBondContact O-N 3.25Å; L115-E119 HydrophobicContact CB-CB 4.07Å; L115-E119 HydrophobicContact CD2-CB 4.3Å; L115-N120 HydrophobicContact CB-CB 4.23Å; L115-K123 HydrophobicContact CD1-CD 3.73Å; L115-M177 HydrophobicContact CD2-CE 4.21Å; L115-M177 HydrophobicContact CD2-SD 4.06Å
116T88.7Confident86.2Confident67 Ų6762.8 Ų62.841%0.41135%0.348SS..  trans-65.9165.6169.474.30000110.6E118 E119 N120T116-E118 VanDerWaalsContact C-N 3.28Å; T116-E118 PolarHBondContact O-N 2.88Å; T116-E118 PolarHBondContact OG1-OE2 3.08Å; T116-E119 PolarHBondContact N-OE2 3.14Å; T116-E119 PolarHBondContact O-N 3.27Å; T116-E119 WeakPolarHBondContact OG1-CG 3.4Å; T116-E119 PolarHBondContact OG1-N 2.88Å; T116-N120 VanDerWaalsContact O-CB 3.24Å; T116-N120 WeakPolarHBondContact O-CB 3.31Å; T116-N120 PolarHBondContact O-N 3.18Å
117V85.4Confident86.2Confident113 Ų11363 Ų6369%0.68535%0.349SS*.Hα-helixtrans-60.8-41178.4179.40000110.6V121V117-V121 HydrophobicContact CG1-CG2 4.46Å; V117-V121 WeakPolarHBondContact O-CB 3.25Å; V117-V121 VanDerWaalsContact O-CG2 3.25Å; V117-V121 WeakPolarHBondContact O-CG2 3.18Å; V117-V121 PolarHBondContact O-N 3.44Å
118E88.3Confident86.3Confident148 Ų14865.3 Ų65.369%0.69235%0.354SS*.Hα-helixtrans-65.4-44.8177.3-60.791.4-173.400112.1T116 N120 V121 A122T116-E118 VanDerWaalsContact C-N 3.28Å; T116-E118 PolarHBondContact O-N 2.88Å; T116-E118 PolarHBondContact OG1-OE2 3.08Å; E118-N120 VanDerWaalsContact C-N 3.34Å; E118-N120 PolarHBondContact O-N 3.44Å; E118-V121 PolarHBondContact O-N 3.28Å; E118-A122 WeakPolarHBondContact O-CB 3.28Å; E118-A122 PolarHBondContact O-N 3.27Å
119E87Confident86.3Confident100 Ų10066.1 Ų66.147%0.46736%0.362SS..Hα-helixtrans-63.3-41.6178.5-71.8174.6151.300111.7L115 T116 A122 K123L115-E119 HydrophobicContact CB-CB 4.07Å; L115-E119 HydrophobicContact CD2-CB 4.3Å; T116-E119 PolarHBondContact N-OE2 3.14Å; T116-E119 PolarHBondContact O-N 3.27Å; T116-E119 WeakPolarHBondContact OG1-CG 3.4Å; T116-E119 PolarHBondContact OG1-N 2.88Å; E119-A122 PolarHBondContact O-N 3.46Å; E119-K123 VanDerWaalsContact O-CB 3.26Å; E119-K123 WeakPolarHBondContact O-CB 3.34Å; E119-K123 PolarHBondContact O-N 3.21Å
120N88.2Confident86.4Confident18 Ų1870.5 Ų70.510%0.09639%0.385CS..Hα-helixtrans-65.8-43.1178.2-167.616.5000111.2G107 G110 T111 L115 T116 E118 K123 L124G107-N120 PolarHBondContact O-ND2 2.89Å; G110-N120 WeakPolarHBondContact CA-OD1 3.33Å; T111-N120 PolarHBondContact OG1-ND2 2.84Å; T111-N120 VanDerWaalsContact OG1-ND2 3.11Å; L115-N120 HydrophobicContact CB-CB 4.23Å; T116-N120 VanDerWaalsContact O-CB 3.24Å; T116-N120 WeakPolarHBondContact O-CB 3.31Å; T116-N120 PolarHBondContact O-N 3.18Å; E118-N120 VanDerWaalsContact C-N 3.34Å; E118-N120 PolarHBondContact O-N 3.44Å; N120-K123 PolarHBondContact O-N 2.97Å; N120-L124 WeakPolarHBondContact O-CB 3.24Å; N120-L124 PolarHBondContact O-N 3.05Å
121V87.9Confident86.6Confident67 Ų6770.4 Ų70.441%0.40639%0.385SS..Hα-helixtrans-65.5-40.5175.5170.90000111.3V117 E118 L124 K125V117-V121 HydrophobicContact CG1-CG2 4.46Å; V117-V121 WeakPolarHBondContact O-CB 3.25Å; V117-V121 VanDerWaalsContact O-CG2 3.25Å; V117-V121 WeakPolarHBondContact O-CG2 3.18Å; V117-V121 PolarHBondContact O-N 3.44Å; E118-V121 PolarHBondContact O-N 3.28Å; V121-L124 PolarHBondContact O-N 2.86Å; V121-K125 HydrophobicContact CG1-CD 4.36Å; V121-K125 WeakPolarHBondContact O-CG 3.45Å; V121-K125 PolarHBondContact O-N 3.2Å
122A88Confident86.7Confident61 Ų6167.3 Ų67.350%0.50436%0.364SS..Hα-helixtrans-64-46.8176.900000111.4E118 E119 L124 K125 R126E118-A122 WeakPolarHBondContact O-CB 3.28Å; E118-A122 PolarHBondContact O-N 3.27Å; E119-A122 PolarHBondContact O-N 3.46Å; A122-L124 VanDerWaalsContact C-N 3.34Å; A122-L124 PolarHBondContact O-N 3.24Å; A122-K125 PolarHBondContact O-N 3.3Å; A122-R126 WeakPolarHBondContact O-CB 3.16Å; A122-R126 PolarHBondContact O-N 2.83Å
123K85.2Confident86.9Confident21 Ų2167.7 Ų67.79%0.09137%0.366CS..Hα-helixtrans-61.2-43.7175.3-173.6174.3-173.3169.20111.6L115 E119 N120 R126 D127 A174 K176L115-K123 HydrophobicContact CD1-CD 3.73Å; E119-K123 VanDerWaalsContact O-CB 3.26Å; E119-K123 WeakPolarHBondContact O-CB 3.34Å; E119-K123 PolarHBondContact O-N 3.21Å; N120-K123 PolarHBondContact O-N 2.97Å; K123-R126 PolarHBondContact O-N 3.37Å; K123-D127 WeakPolarHBondContact CE-OD2 3.4Å; K123-D127 WeakPolarHBondContact CG-OD2 3.49Å; K123-D127 WeakPolarHBondContact O-CB 3.33Å; K123-D127 PolarHBondContact O-N 3.5Å; K123-A174 PolarHBondContact NZ-O 3.31Å; K123-K176 WeakPolarHBondContact CE-O 3.25Å; K123-K176 PolarHBondContact NZ-O 3.36Å
124L88.3Confident87.3Confident48 Ų4867.1 Ų67.125%0.25137%0.366SS..Hα-helixtrans-59.3-51.6176.4-175.566.8000110.4L106 N120 V121 A122 R126 D127 Y128L106-L124 HydrophobicContact CB-CD1 3.54Å; L106-L124 HydrophobicContact CD1-CD1 4.11Å; L106-L124 HydrophobicContact CG-CD1 4.48Å; N120-L124 WeakPolarHBondContact O-CB 3.24Å; N120-L124 PolarHBondContact O-N 3.05Å; V121-L124 PolarHBondContact O-N 2.86Å; A122-L124 VanDerWaalsContact C-N 3.34Å; A122-L124 PolarHBondContact O-N 3.24Å; L124-R126 PolarHBondContact O-N 3.48Å; L124-D127 PolarHBondContact O-N 3.23Å; L124-Y128 HydrophobicContact CD1-CD2 4.35Å; L124-Y128 WeakPolarHBondContact O-CA 3.27Å; L124-Y128 WeakPolarHBondContact O-CB 3.42Å; L124-Y128 PolarHBondContact O-N 3.04Å
125K86.8Confident87.6Confident161 Ų16164.3 Ų64.370%0.734%0.335SS*.Hα-helixtrans-57.9-36.9178.3-75.9-179.8179.7-177.60112.9V121 A122V121-K125 HydrophobicContact CG1-CD 4.36Å; V121-K125 WeakPolarHBondContact O-CG 3.45Å; V121-K125 PolarHBondContact O-N 3.2Å; A122-K125 PolarHBondContact O-N 3.3Å
126R86.9Confident87.7Confident121 Ų12166.9 Ų66.946%0.45734%0.344SS..Hα-helixtrans-69.7-52.1177.8-172.6-172.169.7-171.5-0.6111.9A122 K123 L124 M177A122-R126 WeakPolarHBondContact O-CB 3.16Å; A122-R126 PolarHBondContact O-N 2.83Å; K123-R126 PolarHBondContact O-N 3.37Å; L124-R126 PolarHBondContact O-N 3.48Å; R126-M177 PolarHBondContact NH1-OXT 2.98Å; R126-M177 PolarHBondContact NH2-OXT 3.48Å
127D86.2Confident87.6Confident15 Ų1572.2 Ų72.28%0.0836%0.358CS..Hα-helixtrans-92.1-23.1-165.9-64.3-19.6000113K123 L124 A131 K173K123-D127 WeakPolarHBondContact CE-OD2 3.4Å; K123-D127 WeakPolarHBondContact CG-OD2 3.49Å; K123-D127 WeakPolarHBondContact O-CB 3.33Å; K123-D127 PolarHBondContact O-N 3.5Å; L124-D127 PolarHBondContact O-N 3.23Å; D127-A131 VanDerWaalsContact O-CB 3.24Å; D127-A131 WeakPolarHBondContact O-CB 3.47Å; D127-A131 PolarHBondContact O-N 3.07Å; D127-K173 HydrophobicContact CB-CD 4.41Å; D127-K173 HydrophobicContact CB-CG 4.2Å; D127-K173 VanDerWaalsContact O-CE 3.27Å; D127-K173 WeakPolarHBondContact O-CE 3.33Å; D127-K173 PolarHBondContact O-NZ 3.39Å
128Y88.6Confident87.7Confident63 Ų6369.7 Ų69.725%0.24734%0.34CS..Hα-helixtrans-61.9-50.9-176.5174.2-100.6000112.4P99 L102 L124 D130 A131 L132P99-Y128 WeakPolarHBondContact CA-OH 3.29Å; P99-Y128 WeakPolarHBondContact CB-OH 3.18Å; P99-Y128 WeakPolarHBondContact O-CE2 3.38Å; P99-Y128 PolarHBondContact O-OH 2.99Å; L102-Y128 HydrophobicContact CB-CE2 4.36Å; L124-Y128 HydrophobicContact CD1-CD2 4.35Å; L124-Y128 WeakPolarHBondContact O-CA 3.27Å; L124-Y128 WeakPolarHBondContact O-CB 3.42Å; L124-Y128 PolarHBondContact O-N 3.04Å; Y128-D130 PolarHBondContact O-N 3.45Å; Y128-A131 WeakPolarHBondContact O-CB 3.27Å; Y128-A131 PolarHBondContact O-N 2.96Å; Y128-A131 VanDerWaalsContact O-N 3.1Å; Y128-L132 HydrophobicContact CE1-CD2 4.03Å; Y128-L132 WeakPolarHBondContact O-CB 3.04Å; Y128-L132 PolarHBondContact O-N 3.29Å
129T87.7Confident87.5Confident75 Ų7564 Ų6446%0.4631%0.312SS..Hα-helixtrans-60.5-48.6-176.9-560000110.6A131 L132 I133T129-A131 VanDerWaalsContact C-N 3.27Å; T129-A131 PolarHBondContact O-N 2.94Å; T129-L132 PolarHBondContact O-N 3.4Å; T129-I133 HydrophobicContact CG2-CD1 3.83Å; T129-I133 HydrophobicContact CG2-CG1 4.48Å; T129-I133 WeakPolarHBondContact O-CB 3.3Å; T129-I133 VanDerWaalsContact O-CG1 3.26Å; T129-I133 WeakPolarHBondContact O-CG1 3.18Å; T129-I133 PolarHBondContact O-N 3.48Å
130D87.6Confident87.4Confident92 Ų9261 Ų6149%0.49230%0.301SS..Hα-helixtrans-63.2-35.2177.4-73.1-7000111.9Y128 S134Y128-D130 PolarHBondContact O-N 3.45Å; D130-S134 VanDerWaalsContact O-CB 3.31Å; D130-S134 WeakPolarHBondContact O-CB 3.36Å; D130-S134 PolarHBondContact O-N 2.84Å; D130-S134 PolarHBondContact O-OG 2.94Å
131A87.4Confident87.3Confident0 Ų062.9 Ų62.90%032%0.319CS..Hα-helixtrans-69.6-42.4178.100000110.8L106 D127 Y128 T129 S134 N135 W166 K173L106-A131 HydrophobicContact CD1-CB 4.3Å; D127-A131 VanDerWaalsContact O-CB 3.24Å; D127-A131 WeakPolarHBondContact O-CB 3.47Å; D127-A131 PolarHBondContact O-N 3.07Å; Y128-A131 WeakPolarHBondContact O-CB 3.27Å; Y128-A131 PolarHBondContact O-N 2.96Å; Y128-A131 VanDerWaalsContact O-N 3.1Å; T129-A131 VanDerWaalsContact C-N 3.27Å; T129-A131 PolarHBondContact O-N 2.94Å; A131-S134 PolarHBondContact O-N 3Å; A131-N135 VanDerWaalsContact O-CB 3.31Å; A131-N135 WeakPolarHBondContact O-CB 3.29Å; A131-N135 PolarHBondContact O-N 3.27Å; A131-W166 WeakPolarHBondContact O-CH2 3.37Å; A131-K173 HydrophobicContact CB-CD 4.05Å
132L89.1Confident87.2Confident27 Ų2760.9 Ų60.914%0.14131%0.307CS..Hα-helixtrans-66.2-43.3178.4-172.465.1000111.5P99 L102 Y128 T129 N135 Y136P99-L132 HydrophobicContact CB-CD1 4.07Å; P99-L132 HydrophobicContact CB-CD2 4.49Å; L102-L132 HydrophobicContact CD1-CD1 4.05Å; Y128-L132 HydrophobicContact CE1-CD2 4.03Å; Y128-L132 WeakPolarHBondContact O-CB 3.04Å; Y128-L132 PolarHBondContact O-N 3.29Å; T129-L132 PolarHBondContact O-N 3.4Å; L132-N135 WeakPolarHBondContact O-CB 3.44Å; L132-N135 PolarHBondContact O-N 2.9Å; L132-Y136 HydrophobicContact CD1-CE1 4.15Å; L132-Y136 HydrophobicContact CD1-CE2 3.94Å; L132-Y136 HydrophobicContact CD2-CE2 4.09Å; L132-Y136 HydrophobicContact CG-CD2 4.21Å; L132-Y136 HydrophobicContact CG-CE2 3.68Å; L132-Y136 PolarHBondContact O-N 3.33Å
133I88.6Confident87Confident80 Ų8059.8 Ų59.841%0.4129%0.292SS..Hα-helixtrans-60.6-48.9174.3-70170.2000109.9T129 N135 Y136 Y137T129-I133 HydrophobicContact CG2-CD1 3.83Å; T129-I133 HydrophobicContact CG2-CG1 4.48Å; T129-I133 WeakPolarHBondContact O-CB 3.3Å; T129-I133 VanDerWaalsContact O-CG1 3.26Å; T129-I133 WeakPolarHBondContact O-CG1 3.18Å; T129-I133 PolarHBondContact O-N 3.48Å; I133-N135 VanDerWaalsContact C-N 3.25Å; I133-N135 PolarHBondContact O-N 3.5Å; I133-Y136 PolarHBondContact O-N 3.39Å; I133-Y136 VanDerWaalsContact O-N 3.11Å; I133-Y137 HydrophobicContact CG2-CD2 3.61Å; I133-Y137 HydrophobicContact CG2-CE2 3.53Å; I133-Y137 VanDerWaalsContact O-CD2 3.29Å; I133-Y137 WeakPolarHBondContact O-CD2 3.24Å; I133-Y137 PolarHBondContact O-N 2.91Å
134S88.8Confident86.9Confident38 Ų3863.1 Ų63.127%0.26631%0.31SS..Hα-helixtrans-59.3-38.6177.6-58.60000112D130 A131 Y137 L138 Y169D130-S134 VanDerWaalsContact O-CB 3.31Å; D130-S134 WeakPolarHBondContact O-CB 3.36Å; D130-S134 PolarHBondContact O-N 2.84Å; D130-S134 PolarHBondContact O-OG 2.94Å; A131-S134 PolarHBondContact O-N 3Å; S134-Y137 PolarHBondContact O-N 2.94Å; S134-L138 WeakPolarHBondContact O-CB 3.28Å; S134-L138 PolarHBondContact O-N 2.93Å; S134-Y169 PolarHBondContact OG-OH 3.15Å; S134-Y169 VanDerWaalsContact OG-OH 3.13Å
135N88.8Confident86.7Confident7 Ų762.7 Ų62.74%0.03731%0.313CS..Hα-helixtrans-60.9-46175.2179.387.7000111.2Q94 L102 A131 L132 I133 L138 W139 W166Q94-N135 PolarHBondContact OE1-ND2 2.79Å; L102-N135 HydrophobicContact CD1-CB 3.84Å; A131-N135 VanDerWaalsContact O-CB 3.31Å; A131-N135 WeakPolarHBondContact O-CB 3.29Å; A131-N135 PolarHBondContact O-N 3.27Å; L132-N135 WeakPolarHBondContact O-CB 3.44Å; L132-N135 PolarHBondContact O-N 2.9Å; I133-N135 VanDerWaalsContact C-N 3.25Å; I133-N135 PolarHBondContact O-N 3.5Å; N135-L138 PolarHBondContact O-N 3.36Å; N135-W139 WeakPolarHBondContact O-CB 3.3Å; N135-W139 PolarHBondContact O-N 3.09Å; N135-W139 PolarHBondContact OD1-NE1 3.32Å; N135-W166 HydrophobicContact CB-CH2 3.55Å; N135-W166 HydrophobicContact CB-CZ2 3.65Å
136Y87.4Confident86.6Confident82 Ų8255.2 Ų55.232%0.32228%0.281SS..Hα-helixtrans-71.9-24.3178.6-66.7-27.1000114.6Q94 L132 I133 P140Q94-Y136 HydrophobicContact CB-CD1 4.38Å; Q94-Y136 HydrophobicContact CB-CE1 4.04Å; Q94-Y136 VanDerWaalsContact O-CE1 3.28Å; Q94-Y136 WeakPolarHBondContact O-CE1 3.29Å; Q94-Y136 PolarHBondContact O-OH 2.85Å; Q94-Y136 VanDerWaalsContact O-OH 3.09Å; L132-Y136 HydrophobicContact CD1-CE1 4.15Å; L132-Y136 HydrophobicContact CD1-CE2 3.94Å; L132-Y136 HydrophobicContact CD2-CE2 4.09Å; L132-Y136 HydrophobicContact CG-CD2 4.21Å; L132-Y136 HydrophobicContact CG-CE2 3.68Å; L132-Y136 PolarHBondContact O-N 3.33Å; I133-Y136 PolarHBondContact O-N 3.39Å; I133-Y136 VanDerWaalsContact O-N 3.11Å; Y136-P140 WeakPolarHBondContact O-CD 3.25Å; Y136-P140 WeakPolarHBondContact O-CG 3.06Å
137Y87.4Confident86.2Confident180 Ų18050.9 Ų50.971%0.70627%0.265SS*.Hα-helixtrans-75.8-39.4169.9-84.9-73.2000112.1I133 S134 A141I133-Y137 HydrophobicContact CG2-CD2 3.61Å; I133-Y137 HydrophobicContact CG2-CE2 3.53Å; I133-Y137 VanDerWaalsContact O-CD2 3.29Å; I133-Y137 WeakPolarHBondContact O-CD2 3.24Å; I133-Y137 PolarHBondContact O-N 2.91Å; S134-Y137 PolarHBondContact O-N 2.94Å; Y137-A141 WeakPolarHBondContact O-CB 3.09Å
138L86.9Confident85.8Confident59 Ų5958.6 Ų58.631%0.30929%0.294SS..Hα-helixtrans-79.6-57.7-174.2-175.766.1000112.4S134 N135 V142 V162 W166S134-L138 WeakPolarHBondContact O-CB 3.28Å; S134-L138 PolarHBondContact O-N 2.93Å; N135-L138 PolarHBondContact O-N 3.36Å; L138-V142 HydrophobicContact CD1-CG2 4.01Å; L138-V142 HydrophobicContact CG-CG2 4.36Å; L138-V142 WeakPolarHBondContact O-CB 3.44Å; L138-V142 WeakPolarHBondContact O-CG2 3.39Å; L138-V142 PolarHBondContact O-N 2.93Å; L138-V162 HydrophobicContact CD1-CG1 4.13Å; L138-V162 HydrophobicContact CD2-CG1 4.02Å; L138-V162 HydrophobicContact CG-CG1 4.12Å; L138-W166 HydrophobicContact CD2-CB 4.17Å; L138-W166 HydrophobicContact CD2-CD2 4.16Å; L138-W166 HydrophobicContact CD2-CE3 3.56Å; L138-W166 HydrophobicContact CD2-CG 4.44Å; L138-W166 HydrophobicContact CD2-CZ3 4.31Å
139W85Confident85.5Confident30 Ų3063 Ų6311%0.11432%0.315CS..Hα-helixtrans-72.1-47.3-165.1-74.8106.1000114.1N135 A141 V142 Q143 V159 V162 A163 W166N135-W139 WeakPolarHBondContact O-CB 3.3Å; N135-W139 PolarHBondContact O-N 3.09Å; N135-W139 PolarHBondContact OD1-NE1 3.32Å; W139-A141 VanDerWaalsContact C-N 3.33Å; W139-A141 PolarHBondContact O-N 3.32Å; W139-V142 PolarHBondContact O-N 2.92Å; W139-Q143 VanDerWaalsContact O-CB 3.25Å; W139-Q143 WeakPolarHBondContact O-CB 3.44Å; W139-Q143 WeakPolarHBondContact O-CG 3.42Å; W139-Q143 PolarHBondContact O-N 2.79Å; W139-V159 HydrophobicContact CH2-CG1 4.48Å; W139-V159 HydrophobicContact CZ3-CG1 4.11Å; W139-V162 HydrophobicContact CH2-CG1 4.43Å; W139-V162 HydrophobicContact CZ3-CG1 4.47Å; W139-A163 HydrophobicContact CH2-CB 4.07Å; W139-W166 HydrophobicContact CZ2-CB 4Å; W139-W166 AromaticContact CZ2-CD1 3.8Å; W139-W166 AromaticContact CZ2-CG 3.92Å; W139-W166 HydrophobicContact CZ2-CG 3.92Å; W139-W166 AromaticContact NE1-CD1 3.64Å; W139-W166 AromaticContact NE1-CD2 3.67Å; W139-W166 AromaticContact NE1-CE2 3.64Å; W139-W166 AromaticContact NE1-CG 3.67Å; W139-W166 AromaticContact NE1-NE1 3.56Å
140P84.3Confident85Confident35 Ų3561.2 Ų61.223%0.22730%0.302CS..Hα-helixtrans-54.3-46.5172.8-29.437.7000113.2Q94 Y136 Q143 I144Q94-P140 HydrophobicContact CG-CG 4.48Å; Y136-P140 WeakPolarHBondContact O-CD 3.25Å; Y136-P140 WeakPolarHBondContact O-CG 3.06Å; P140-Q143 PolarHBondContact O-N 3.29Å; P140-I144 WeakPolarHBondContact O-CB 3.4Å; P140-I144 WeakPolarHBondContact O-CD1 3.35Å; P140-I144 WeakPolarHBondContact O-CG1 3.37Å; P140-I144 PolarHBondContact O-N 2.93Å
141A86.2Confident84.5Confident59 Ų5960.6 Ų60.649%0.48830%0.304SS..Hα-helixtrans-63.2-47.9179.200000111.8Y137 W139 Q143 I144 A145Y137-A141 WeakPolarHBondContact O-CB 3.09Å; W139-A141 VanDerWaalsContact C-N 3.33Å; W139-A141 PolarHBondContact O-N 3.32Å; A141-Q143 PolarHBondContact O-N 3.45Å; A141-I144 PolarHBondContact O-N 3.47Å; A141-A145 WeakPolarHBondContact O-CB 3.4Å; A141-A145 PolarHBondContact O-N 3.41Å
142V86.4Confident83.7Confident25 Ų2566.4 Ų66.415%0.15233%0.334CS..Hα-helixtrans-60.8-45178.8166.80000111L138 W139 A145 N146 V162L138-V142 HydrophobicContact CD1-CG2 4.01Å; L138-V142 HydrophobicContact CG-CG2 4.36Å; L138-V142 WeakPolarHBondContact O-CB 3.44Å; L138-V142 WeakPolarHBondContact O-CG2 3.39Å; L138-V142 PolarHBondContact O-N 2.93Å; W139-V142 PolarHBondContact O-N 2.92Å; V142-A145 PolarHBondContact O-N 3.32Å; V142-N146 WeakPolarHBondContact O-CB 2.85Å; V142-N146 PolarHBondContact O-N 2.98Å; V142-V162 HydrophobicContact CG1-CB 4.34Å; V142-V162 HydrophobicContact CG1-CG1 4.26Å; V142-V162 HydrophobicContact CG1-CG2 3.98Å; V142-V162 HydrophobicContact CG2-CG1 3.97Å; V142-V162 HydrophobicContact CG2-CG2 4.16Å
143Q82.6Confident82.8Confident38 Ų3873.1 Ų73.118%0.17836%0.364CS..Hα-helixtrans-70.9-39.5-178.3-72.9-82.724.800112.6M90 W139 P140 A141 A145 N146 F147M90-Q143 HydrophobicContact CE-CB 3.78Å; M90-Q143 HydrophobicContact CG-CB 4.45Å; M90-Q143 HydrophobicContact CG-CG 4.37Å; M90-Q143 HydrophobicContact SD-CB 3.03Å; M90-Q143 WeakPolarHBondContact SD-CB 3.43Å; M90-Q143 HydrophobicContact SD-CG 3.38Å; M90-Q143 WeakPolarHBondContact SD-CG 3.36Å; W139-Q143 VanDerWaalsContact O-CB 3.25Å; W139-Q143 WeakPolarHBondContact O-CB 3.44Å; W139-Q143 WeakPolarHBondContact O-CG 3.42Å; W139-Q143 PolarHBondContact O-N 2.79Å; P140-Q143 PolarHBondContact O-N 3.29Å; A141-Q143 PolarHBondContact O-N 3.45Å; Q143-A145 VanDerWaalsContact C-N 3.33Å; Q143-A145 PolarHBondContact O-N 3.23Å; Q143-N146 PolarHBondContact O-N 3.26Å; Q143-F147 HydrophobicContact CB-CD2 4.4Å; Q143-F147 HydrophobicContact CB-CE2 4.13Å; Q143-F147 WeakPolarHBondContact O-CD2 3.08Å; Q143-F147 WeakPolarHBondContact O-CG 3.24Å; Q143-F147 PolarHBondContact O-N 2.9Å
144I83.4Confident82.2Confident91 Ų9174.9 Ų74.947%0.46737%0.37SS..Hα-helixtrans-58-49.7172.5-71.2164.3000109.5M87 M90 P140 A141 N146 F147 Y148M87-I144 HydrophobicContact CE-CG1 4Å; M90-I144 HydrophobicContact CE-CG1 4.28Å; P140-I144 WeakPolarHBondContact O-CB 3.4Å; P140-I144 WeakPolarHBondContact O-CD1 3.35Å; P140-I144 WeakPolarHBondContact O-CG1 3.37Å; P140-I144 PolarHBondContact O-N 2.93Å; A141-I144 PolarHBondContact O-N 3.47Å; I144-N146 VanDerWaalsContact C-N 3.31Å; I144-N146 PolarHBondContact O-N 3.33Å; I144-F147 PolarHBondContact O-N 3.44Å; I144-Y148 VanDerWaalsContact O-CB 3.3Å; I144-Y148 WeakPolarHBondContact O-CB 3.45Å; I144-Y148 PolarHBondContact O-N 3.29Å
145A85.3Confident81.5Confident39 Ų3974.8 Ų74.832%0.32236%0.364SS..Hα-helixtrans-60.6-41.4176.800000111.9A141 V142 Q143 F147 Y148 F149A141-A145 WeakPolarHBondContact O-CB 3.4Å; A141-A145 PolarHBondContact O-N 3.41Å; V142-A145 PolarHBondContact O-N 3.32Å; Q143-A145 VanDerWaalsContact C-N 3.33Å; Q143-A145 PolarHBondContact O-N 3.23Å; A145-F147 PolarHBondContact O-N 2.95Å; A145-Y148 PolarHBondContact O-N 3.41Å; A145-F149 HydrophobicContact CB-CD2 4.19Å; A145-F149 WeakPolarHBondContact O-CB 3.36Å; A145-F149 PolarHBondContact O-N 2.8Å
146N83.4Confident80.7Confident4 Ų478.8 Ų78.82%0.02139%0.385CS..Hα-helixtrans-64.6-39.7179.7-163.934.3000112.8V142 Q143 I144 I150 R155 V159V142-N146 WeakPolarHBondContact O-CB 2.85Å; V142-N146 PolarHBondContact O-N 2.98Å; Q143-N146 PolarHBondContact O-N 3.26Å; I144-N146 VanDerWaalsContact C-N 3.31Å; I144-N146 PolarHBondContact O-N 3.33Å; N146-I150 WeakPolarHBondContact O-CB 3.11Å; N146-I150 PolarHBondContact O-N 2.73Å; N146-R155 PolarHBondContact ND2-O 2.76Å; N146-R155 PolarHBondContact O-NE 2.84Å; N146-R155 WeakPolarHBondContact OD1-CA 3.41Å; N146-R155 WeakPolarHBondContact OD1-CB 3.36Å; N146-R155 WeakPolarHBondContact OD1-CG 3.27Å; N146-V159 VanDerWaalsContact ND2-CG2 3.28Å; N146-V159 WeakPolarHBondContact ND2-CG2 3.3Å
147F78.9Confident80.2Confident30 Ų3077.4 Ų77.413%0.13239%0.391CS..Hα-helixtrans-77-30.5177.7-69.9-55.4000113.4A86 Q143 I144 A145 R155A86-F147 HydrophobicContact CB-CD1 3.93Å; A86-F147 HydrophobicContact CB-CE1 3.26Å; A86-F147 HydrophobicContact CB-CE2 4.02Å; A86-F147 HydrophobicContact CB-CZ 3.33Å; Q143-F147 HydrophobicContact CB-CD2 4.4Å; Q143-F147 HydrophobicContact CB-CE2 4.13Å; Q143-F147 WeakPolarHBondContact O-CD2 3.08Å; Q143-F147 WeakPolarHBondContact O-CG 3.24Å; Q143-F147 PolarHBondContact O-N 2.9Å; I144-F147 PolarHBondContact O-N 3.44Å; A145-F147 PolarHBondContact O-N 2.95Å; F147-R155 PolarHBondContact O-NH2 3.14Å
148Y78.4Confident79.9Confident177 Ų17771 Ų7169%0.69437%0.37SS*.Hα-helixtrans-85.5-51.3-176.4-160.8-95.3000112.5I144 A145I144-Y148 VanDerWaalsContact O-CB 3.3Å; I144-Y148 WeakPolarHBondContact O-CB 3.45Å; I144-Y148 PolarHBondContact O-N 3.29Å; A145-Y148 PolarHBondContact O-N 3.41Å
149F81.1Confident79.6Confident155 Ų15569.7 Ų69.768%0.6836%0.364SS*.Hα-helixtrans-96.9-26.8-172-60.8-71.3000114.1A145A145-F149 HydrophobicContact CB-CD2 4.19Å; A145-F149 WeakPolarHBondContact O-CB 3.36Å; A145-F149 PolarHBondContact O-N 2.8Å
150I78.4Confident79.4Confident37 Ų3771.2 Ų71.219%0.1937%0.373CS..SBendtrans-99.6127.3-167.9-52.1-163.7000111.7N146 H154 R155 V158N146-I150 WeakPolarHBondContact O-CB 3.11Å; N146-I150 PolarHBondContact O-N 2.73Å; I150-H154 HydrophobicContact CG2-CB 3.66Å; I150-R155 HydrophobicContact CB-CG 4.2Å; I150-R155 HydrophobicContact CG2-CG 4.01Å; I150-R155 PolarHBondContact O-NE 2.92Å; I150-R155 PolarHBondContact O-NH2 2.76Å; I150-V158 HydrophobicContact CD1-CB 3.78Å; I150-V158 HydrophobicContact CD1-CG1 3.76Å; I150-V158 HydrophobicContact CD1-CG2 3.32Å; I150-V158 HydrophobicContact CG2-CG2 4.45Å
151P76.1Confident79.3Confident80 Ų8075.2 Ų75.252%0.51939%0.391SS..  trans-60.5146.4174.1-20.531.3000111.6H153 H154 R155P151-H153 PolarHBondContact O-N 2.97Å; P151-H154 PolarHBondContact O-N 3.41Å; P151-R155 WeakPolarHBondContact O-CG 3.36Å; P151-R155 PolarHBondContact O-N 3.45Å
152L71.4Confident79.2Confident122 Ų12274 Ų7464%0.63938%0.377SS*.THydrogen-bonded Turntrans-47.9-40-172.4-175.166.3000113.9H154L152-H154 PolarHBondContact O-N 2.9Å
153H70.9Confident78.9Confident167 Ų16773.2 Ų73.277%0.77337%0.374SS*.THydrogen-bonded Turntrans-68.7-27.8-178.3-57.5-68.9000114.3P151P151-H153 PolarHBondContact O-N 2.97Å
154H74.4Confident78.9Confident117 Ų11774.3 Ų74.354%0.54238%0.38SS..THydrogen-bonded Turntrans-96.1-10.4-178.2-64.2-59.8000113.3I150 P151 L152 L156 A157 V158I150-H154 HydrophobicContact CG2-CB 3.66Å; P151-H154 PolarHBondContact O-N 3.41Å; L152-H154 PolarHBondContact O-N 2.9Å; H154-L156 VanDerWaalsContact C-N 3.29Å; H154-L156 PolarHBondContact O-N 2.82Å; H154-A157 WeakPolarHBondContact O-CB 3.49Å; H154-A157 PolarHBondContact O-N 3.44Å; H154-A157 VanDerWaalsContact O-N 3.09Å; H154-V158 PolarHBondContact O-N 3.33Å
155R74.2Confident78.9Confident37 Ų3772 Ų7214%0.1438%0.379CS..Hα-helixtrans-59-40-176.4-69.1-172-175.7159.1-0.6113.7N146 F147 I150 P151 A157 V159N146-R155 PolarHBondContact ND2-O 2.76Å; N146-R155 PolarHBondContact O-NE 2.84Å; N146-R155 WeakPolarHBondContact OD1-CA 3.41Å; N146-R155 WeakPolarHBondContact OD1-CB 3.36Å; N146-R155 WeakPolarHBondContact OD1-CG 3.27Å; F147-R155 PolarHBondContact O-NH2 3.14Å; I150-R155 HydrophobicContact CB-CG 4.2Å; I150-R155 HydrophobicContact CG2-CG 4.01Å; I150-R155 PolarHBondContact O-NE 2.92Å; I150-R155 PolarHBondContact O-NH2 2.76Å; P151-R155 WeakPolarHBondContact O-CG 3.36Å; P151-R155 PolarHBondContact O-N 3.45Å; R155-A157 VanDerWaalsContact C-N 3.34Å; R155-V159 VanDerWaalsContact O-CG2 3.3Å; R155-V159 WeakPolarHBondContact O-CG2 3.28Å; R155-V159 PolarHBondContact O-N 2.83Å; R155-V159 VanDerWaalsContact O-N 3.16Å
156L73.6Confident79Confident91 Ų9171.2 Ų71.248%0.47637%0.368SS..Hα-helixtrans-64.4-42178-177.363000110.9H154 V158 V159 Q160H154-L156 VanDerWaalsContact C-N 3.29Å; H154-L156 PolarHBondContact O-N 2.82Å; L156-V158 PolarHBondContact O-N 3.26Å; L156-V159 PolarHBondContact O-N 2.86Å; L156-Q160 HydrophobicContact CD1-CG 4.2Å; L156-Q160 HydrophobicContact CG-CG 4.31Å; L156-Q160 WeakPolarHBondContact O-CB 3.3Å; L156-Q160 WeakPolarHBondContact O-CG 3.46Å; L156-Q160 PolarHBondContact O-N 3.24Å
157A75.7Confident79.1Confident53 Ų5372.2 Ų72.244%0.43837%0.373SS..Hα-helixtrans-62.5-44.4-178.800000111.8H154 R155 Q160 I161H154-A157 WeakPolarHBondContact O-CB 3.49Å; H154-A157 PolarHBondContact O-N 3.44Å; H154-A157 VanDerWaalsContact O-N 3.09Å; R155-A157 VanDerWaalsContact C-N 3.34Å; A157-Q160 PolarHBondContact O-N 3Å; A157-I161 WeakPolarHBondContact O-CG1 3.38Å; A157-I161 PolarHBondContact O-N 3.03Å
158V81.5Confident79.3Confident46 Ų4671 Ų7128%0.27937%0.368SS..Hα-helixtrans-65.8-43.6178.8175.90000111.9I150 H154 L156 Q160 I161 V162I150-V158 HydrophobicContact CD1-CB 3.78Å; I150-V158 HydrophobicContact CD1-CG1 3.76Å; I150-V158 HydrophobicContact CD1-CG2 3.32Å; I150-V158 HydrophobicContact CG2-CG2 4.45Å; H154-V158 PolarHBondContact O-N 3.33Å; L156-V158 PolarHBondContact O-N 3.26Å; V158-Q160 VanDerWaalsContact C-N 3.28Å; V158-Q160 PolarHBondContact O-N 3.25Å; V158-I161 PolarHBondContact O-N 2.77Å; V158-V162 WeakPolarHBondContact O-CG2 3.47Å; V158-V162 PolarHBondContact O-N 2.93Å
159V81.3Confident79.6Confident30 Ų3065.2 Ų65.218%0.18235%0.346CS..Hα-helixtrans-58.8-42.3175.41680000111W139 N146 R155 L156 V162 A163W139-V159 HydrophobicContact CH2-CG1 4.48Å; W139-V159 HydrophobicContact CZ3-CG1 4.11Å; N146-V159 VanDerWaalsContact ND2-CG2 3.28Å; N146-V159 WeakPolarHBondContact ND2-CG2 3.3Å; R155-V159 VanDerWaalsContact O-CG2 3.3Å; R155-V159 WeakPolarHBondContact O-CG2 3.28Å; R155-V159 PolarHBondContact O-N 2.83Å; R155-V159 VanDerWaalsContact O-N 3.16Å; L156-V159 PolarHBondContact O-N 2.86Å; V159-V162 PolarHBondContact O-N 3.14Å; V159-A163 VanDerWaalsContact O-CB 3.23Å; V159-A163 WeakPolarHBondContact O-CB 3.44Å; V159-A163 PolarHBondContact O-N 3.32Å
160Q79.8Confident79.6Confident63 Ų6358 Ų5829%0.29431%0.314SS..Hα-helixtrans-67.3-37.5179.4-67-72.247.600112.7L156 A157 V158 A163 I164L156-Q160 HydrophobicContact CD1-CG 4.2Å; L156-Q160 HydrophobicContact CG-CG 4.31Å; L156-Q160 WeakPolarHBondContact O-CB 3.3Å; L156-Q160 WeakPolarHBondContact O-CG 3.46Å; L156-Q160 PolarHBondContact O-N 3.24Å; A157-Q160 PolarHBondContact O-N 3Å; V158-Q160 VanDerWaalsContact C-N 3.28Å; V158-Q160 PolarHBondContact O-N 3.25Å; Q160-A163 WeakPolarHBondContact O-CB 3.44Å; Q160-A163 PolarHBondContact O-N 3.36Å; Q160-I164 WeakPolarHBondContact O-CG1 3.4Å; Q160-I164 PolarHBondContact O-N 3.35Å; Q160-I164 VanDerWaalsContact O-N 3.08Å
161I81.6Confident79.8Confident118 Ų11856.3 Ų56.361%0.60531%0.306SS*.Hα-helixtrans-63-47.8175.5-68.1163.9000110.4A157 V158 A163 I164A157-I161 WeakPolarHBondContact O-CG1 3.38Å; A157-I161 PolarHBondContact O-N 3.03Å; V158-I161 PolarHBondContact O-N 2.77Å; I161-A163 VanDerWaalsContact C-N 3.3Å; I161-A163 PolarHBondContact O-N 3Å; I161-I164 PolarHBondContact O-N 2.93Å
162V84.9Confident80.2Confident33 Ų3356 Ų5620%0.229%0.294CS..Hα-helixtrans-63.8-39.4176.7175.90000110.8L138 W139 V142 V158 V159 I164 G165 W166L138-V162 HydrophobicContact CD1-CG1 4.13Å; L138-V162 HydrophobicContact CD2-CG1 4.02Å; L138-V162 HydrophobicContact CG-CG1 4.12Å; W139-V162 HydrophobicContact CH2-CG1 4.43Å; W139-V162 HydrophobicContact CZ3-CG1 4.47Å; V142-V162 HydrophobicContact CG1-CB 4.34Å; V142-V162 HydrophobicContact CG1-CG1 4.26Å; V142-V162 HydrophobicContact CG1-CG2 3.98Å; V142-V162 HydrophobicContact CG2-CG1 3.97Å; V142-V162 HydrophobicContact CG2-CG2 4.16Å; V158-V162 WeakPolarHBondContact O-CG2 3.47Å; V158-V162 PolarHBondContact O-N 2.93Å; V159-V162 PolarHBondContact O-N 3.14Å; V162-I164 VanDerWaalsContact C-N 3.27Å; V162-I164 PolarHBondContact O-N 3.32Å; V162-G165 PolarHBondContact O-N 3.24Å; V162-G165 VanDerWaalsContact O-N 3.11Å; V162-W166 PolarHBondContact O-N 2.98Å
163A80.6Confident80.7Confident10 Ų1050.7 Ų50.78%0.08327%0.266CS..Hα-helixtrans-59.6-36.3178.100000112.2L27 W139 V159 Q160 I161 W166 N167L27-A163 HydrophobicContact CD2-CB 4.26Å; W139-A163 HydrophobicContact CH2-CB 4.07Å; V159-A163 VanDerWaalsContact O-CB 3.23Å; V159-A163 WeakPolarHBondContact O-CB 3.44Å; V159-A163 PolarHBondContact O-N 3.32Å; Q160-A163 WeakPolarHBondContact O-CB 3.44Å; Q160-A163 PolarHBondContact O-N 3.36Å; I161-A163 VanDerWaalsContact C-N 3.3Å; I161-A163 PolarHBondContact O-N 3Å; A163-W166 PolarHBondContact O-N 2.89Å; A163-N167 WeakPolarHBondContact O-CB 3.45Å; A163-N167 PolarHBondContact O-N 3.43Å; A163-N167 PolarHBondContact O-ND2 2.93Å
164I81.9Confident81.1Confident61 Ų6142.9 Ų42.931%0.31323%0.23SC..Hα-helixtrans-61.6-46.4175.4-68.2164.4000110.6L27 I34 Q160 I161 V162 N167 S168L27-I164 HydrophobicContact CD2-CG1 4.49Å; I34-I164 HydrophobicContact CD1-CG2 3.3Å; Q160-I164 WeakPolarHBondContact O-CG1 3.4Å; Q160-I164 PolarHBondContact O-N 3.35Å; Q160-I164 VanDerWaalsContact O-N 3.08Å; I161-I164 PolarHBondContact O-N 2.93Å; V162-I164 VanDerWaalsContact C-N 3.27Å; V162-I164 PolarHBondContact O-N 3.32Å; I164-N167 PolarHBondContact O-N 3.49Å; I164-S168 WeakPolarHBondContact O-CB 3.31Å; I164-S168 PolarHBondContact O-N 3.2Å; I164-S168 PolarHBondContact O-OG 2.78Å
165G84.3Confident81.2Confident43 Ų4338.4 Ų38.444%0.44321%0.211SC..Hα-helixtrans-61.5-44.6175.800000112.2V162 S168 Y169V162-G165 PolarHBondContact O-N 3.24Å; V162-G165 VanDerWaalsContact O-N 3.11Å; G165-S168 WeakPolarHBondContact O-CB 3.48Å; G165-S168 PolarHBondContact O-N 3.42Å; G165-Y169 PolarHBondContact O-N 2.83Å
166W86.8Confident81.3Confident21 Ų2141.8 Ų41.88%0.0823%0.226CC..Hα-helixtrans-61.6-45.6177.1-178.1-114.6000112.9L102 A131 N135 L138 W139 V162 A163 S168 Y169 L170L102-W166 HydrophobicContact CD1-CZ2 4.47Å; L102-W166 HydrophobicContact CD2-CZ2 4Å; A131-W166 WeakPolarHBondContact O-CH2 3.37Å; N135-W166 HydrophobicContact CB-CH2 3.55Å; N135-W166 HydrophobicContact CB-CZ2 3.65Å; L138-W166 HydrophobicContact CD2-CB 4.17Å; L138-W166 HydrophobicContact CD2-CD2 4.16Å; L138-W166 HydrophobicContact CD2-CE3 3.56Å; L138-W166 HydrophobicContact CD2-CG 4.44Å; L138-W166 HydrophobicContact CD2-CZ3 4.31Å; W139-W166 HydrophobicContact CZ2-CB 4Å; W139-W166 AromaticContact CZ2-CD1 3.8Å; W139-W166 AromaticContact CZ2-CG 3.92Å; W139-W166 HydrophobicContact CZ2-CG 3.92Å; W139-W166 AromaticContact NE1-CD1 3.64Å; W139-W166 AromaticContact NE1-CD2 3.67Å; W139-W166 AromaticContact NE1-CE2 3.64Å; W139-W166 AromaticContact NE1-CG 3.67Å; W139-W166 AromaticContact NE1-NE1 3.56Å; V162-W166 PolarHBondContact O-N 2.98Å; A163-W166 PolarHBondContact O-N 2.89Å; W166-S168 VanDerWaalsContact C-N 3.28Å; W166-S168 PolarHBondContact O-N 3.4Å; W166-Y169 AromaticContact CE3-CD1 3.94Å; W166-Y169 HydrophobicContact CE3-CD1 3.94Å; W166-Y169 HydrophobicContact CH2-CD1 4.09Å; W166-Y169 HydrophobicContact CH2-CE1 4.07Å; W166-Y169 AromaticContact CZ3-CD1 3.59Å; W166-Y169 HydrophobicContact CZ3-CD1 3.59Å; W166-Y169 AromaticContact CZ3-CE1 3.83Å; W166-Y169 HydrophobicContact CZ3-CE1 3.83Å; W166-Y169 WeakPolarHBondContact O-CB 3.44Å; W166-Y169 PolarHBondContact O-N 2.83Å; W166-L170 HydrophobicContact CD2-CG 4.35Å; W166-L170 HydrophobicContact CH2-CD2 4.38Å; W166-L170 HydrophobicContact CZ2-CD1 4.3Å; W166-L170 HydrophobicContact CZ2-CD2 3.85Å; W166-L170 HydrophobicContact CZ2-CG 4.1Å; W166-L170 VanDerWaalsContact NE1-CD1 3.33Å; W166-L170 PolarHBondContact O-N 3.48Å
167N84.6Confident80.5Confident25 Ų2545.4 Ų45.413%0.13424%0.243CC..Hα-helixtrans-64.8-34.4176.9-78.1-70.5000112L27 A163 I164 L170 S171L27-N167 HydrophobicContact CD2-CB 4.32Å; L27-N167 WeakPolarHBondContact CD2-ND2 3.34Å; A163-N167 WeakPolarHBondContact O-CB 3.45Å; A163-N167 PolarHBondContact O-N 3.43Å; A163-N167 PolarHBondContact O-ND2 2.93Å; I164-N167 PolarHBondContact O-N 3.49Å; N167-L170 PolarHBondContact O-N 2.95Å; N167-S171 WeakPolarHBondContact O-CB 3.06Å; N167-S171 PolarHBondContact O-N 2.81Å
168S83.1Confident80.7Confident5 Ų545 Ų454%0.03523%0.233CC..Hα-helixtrans-64.3-44.5173.5-51.80000111.5G31 I34 S35 I164 G165 W166 S171 W172G31-S168 VanDerWaalsContact O-CA 3.29Å; G31-S168 WeakPolarHBondContact O-CA 3.3Å; G31-S168 WeakPolarHBondContact O-CB 3.28Å; G31-S168 PolarHBondContact O-OG 2.97Å; I34-S168 WeakPolarHBondContact CB-OG 3.19Å; I34-S168 WeakPolarHBondContact CG2-OG 3.34Å; S35-S168 VanDerWaalsContact CB-O 3.3Å; S35-S168 WeakPolarHBondContact CB-O 3.38Å; S35-S168 PolarHBondContact OG-O 3.46Å; I164-S168 WeakPolarHBondContact O-CB 3.31Å; I164-S168 PolarHBondContact O-N 3.2Å; I164-S168 PolarHBondContact O-OG 2.78Å; G165-S168 WeakPolarHBondContact O-CB 3.48Å; G165-S168 PolarHBondContact O-N 3.42Å; W166-S168 VanDerWaalsContact C-N 3.28Å; W166-S168 PolarHBondContact O-N 3.4Å; S168-S171 PolarHBondContact O-N 2.93Å; S168-W172 WeakPolarHBondContact O-CB 3.26Å; S168-W172 PolarHBondContact O-N 3.38Å
169Y85.6Confident80.7Confident56 Ų5644.9 Ų44.922%0.2223%0.23CC..Hα-helixtrans-61.7-46174172.7-96.1000112.3S134 G165 W166 W172 K173S134-Y169 PolarHBondContact OG-OH 3.15Å; S134-Y169 VanDerWaalsContact OG-OH 3.13Å; G165-Y169 PolarHBondContact O-N 2.83Å; W166-Y169 AromaticContact CE3-CD1 3.94Å; W166-Y169 HydrophobicContact CE3-CD1 3.94Å; W166-Y169 HydrophobicContact CH2-CD1 4.09Å; W166-Y169 HydrophobicContact CH2-CE1 4.07Å; W166-Y169 AromaticContact CZ3-CD1 3.59Å; W166-Y169 HydrophobicContact CZ3-CD1 3.59Å; W166-Y169 AromaticContact CZ3-CE1 3.83Å; W166-Y169 HydrophobicContact CZ3-CE1 3.83Å; W166-Y169 WeakPolarHBondContact O-CB 3.44Å; W166-Y169 PolarHBondContact O-N 2.83Å; Y169-W172 HydrophobicContact CD2-CE3 4.41Å; Y169-W172 HydrophobicContact CE2-CE3 4.4Å; Y169-W172 HydrophobicContact CE2-CZ3 4.32Å; Y169-W172 WeakPolarHBondContact O-CB 3.39Å; Y169-W172 PolarHBondContact O-N 3.34Å; Y169-K173 HydrophobicContact CE1-CD 4.03Å; Y169-K173 WeakPolarHBondContact O-CB 3.24Å; Y169-K173 PolarHBondContact O-N 2.85Å; Y169-K173 PolarHBondContact OH-NZ 3.41Å
170L81.8Confident80.6Confident2 Ų245.8 Ų45.81%0.0123%0.233CC..Hα-helixtrans-62.9-44.5177.8-76-177.4000112L102 F105 W166 N167 W172 K173 A174L102-L170 HydrophobicContact CD2-CD1 4.12Å; L102-L170 HydrophobicContact CD2-CD2 3.58Å; F105-L170 HydrophobicContact CE1-CB 4.03Å; F105-L170 HydrophobicContact CZ-CB 4.49Å; W166-L170 HydrophobicContact CD2-CG 4.35Å; W166-L170 HydrophobicContact CH2-CD2 4.38Å; W166-L170 HydrophobicContact CZ2-CD1 4.3Å; W166-L170 HydrophobicContact CZ2-CD2 3.85Å; W166-L170 HydrophobicContact CZ2-CG 4.1Å; W166-L170 VanDerWaalsContact NE1-CD1 3.33Å; W166-L170 PolarHBondContact O-N 3.48Å; N167-L170 PolarHBondContact O-N 2.95Å; L170-W172 VanDerWaalsContact C-N 3.34Å; L170-W172 PolarHBondContact O-N 3Å; L170-K173 PolarHBondContact O-N 3.01Å; L170-A174 WeakPolarHBondContact O-CB 3.33Å; L170-A174 PolarHBondContact O-N 3.43Å
171S82.1Confident80.7Confident2 Ų244.8 Ų44.81%0.01423%0.23CC..Hα-helixtrans-59.1-46.4173.9156.70000111D32 S35 R51 N167 S168 K173 A174 N175D32-S171 WeakPolarHBondContact CA-OG 3.43Å; D32-S171 PolarHBondContact OD1-OG 2.87Å; S35-S171 WeakPolarHBondContact CB-OG 2.99Å; R51-S171 PolarHBondContact NH2-O 2.74Å; R51-S171 PolarHBondContact NH2-OG 2.91Å; N167-S171 WeakPolarHBondContact O-CB 3.06Å; N167-S171 PolarHBondContact O-N 2.81Å; S168-S171 PolarHBondContact O-N 2.93Å; S171-K173 VanDerWaalsContact C-N 3.34Å; S171-K173 PolarHBondContact O-N 3.49Å; S171-A174 PolarHBondContact O-N 3.46Å; S171-N175 WeakPolarHBondContact O-CB 3.31Å; S171-N175 PolarHBondContact O-N 2.84Å; S171-N175 VanDerWaalsContact O-N 3.12Å; S171-N175 PolarHBondContact O-ND2 3.38Å
172W83.9Confident80.6Confident73 Ų7340.2 Ų40.228%0.27721%0.206SC..Hα-helixtrans-57.8-49.5178.1175.574000110.8S35 L39 S168 Y169 L170 N175 K176S35-W172 VanDerWaalsContact OG-CA 3.31Å; S35-W172 WeakPolarHBondContact OG-CA 3.41Å; S35-W172 VanDerWaalsContact OG-CB 3.28Å; S35-W172 WeakPolarHBondContact OG-CB 3.35Å; S35-W172 PolarHBondContact OG-N 3.39Å; L39-W172 HydrophobicContact CD1-CB 3.79Å; L39-W172 HydrophobicContact CD1-CG 4.2Å; S168-W172 WeakPolarHBondContact O-CB 3.26Å; S168-W172 PolarHBondContact O-N 3.38Å; Y169-W172 HydrophobicContact CD2-CE3 4.41Å; Y169-W172 HydrophobicContact CE2-CE3 4.4Å; Y169-W172 HydrophobicContact CE2-CZ3 4.32Å; Y169-W172 WeakPolarHBondContact O-CB 3.39Å; Y169-W172 PolarHBondContact O-N 3.34Å; L170-W172 VanDerWaalsContact C-N 3.34Å; L170-W172 PolarHBondContact O-N 3Å; W172-N175 PolarHBondContact O-N 3.08Å; W172-K176 HydrophobicContact CD2-CD 4.47Å; W172-K176 HydrophobicContact CH2-CD 3.74Å; W172-K176 HydrophobicContact CZ2-CD 3.5Å; W172-K176 VanDerWaalsContact CZ2-CD 3.5Å; W172-K176 HydrophobicContact CZ3-CD 4.29Å; W172-K176 VanDerWaalsContact O-CB 3.27Å; W172-K176 WeakPolarHBondContact O-CB 3.2Å; W172-K176 PolarHBondContact O-N 2.95Å
173K83.1Confident80.4Confident11 Ų1140.7 Ų40.75%0.04821%0.206CC..Hα-helixtrans-67-40.7-177-161167.3-160.91720112.9D127 A131 Y169 L170 S171 N175D127-K173 HydrophobicContact CB-CD 4.41Å; D127-K173 HydrophobicContact CB-CG 4.2Å; D127-K173 VanDerWaalsContact O-CE 3.27Å; D127-K173 WeakPolarHBondContact O-CE 3.33Å; D127-K173 PolarHBondContact O-NZ 3.39Å; A131-K173 HydrophobicContact CB-CD 4.05Å; Y169-K173 HydrophobicContact CE1-CD 4.03Å; Y169-K173 WeakPolarHBondContact O-CB 3.24Å; Y169-K173 PolarHBondContact O-N 2.85Å; Y169-K173 PolarHBondContact OH-NZ 3.41Å; L170-K173 PolarHBondContact O-N 3.01Å; S171-K173 VanDerWaalsContact C-N 3.34Å; S171-K173 PolarHBondContact O-N 3.49Å; K173-N175 PolarHBondContact O-N 3.11Å
174A78.9Confident80.3Confident3 Ų342.9 Ų42.93%0.02522%0.215CC..Hα-helixtrans-64.4-28.9177.700000112.7M55 F105 L106 S109 K123 L170 S171M55-A174 HydrophobicContact CE-CB 4.39Å; F105-A174 HydrophobicContact CE1-CB 4.24Å; L106-A174 HydrophobicContact CD2-CB 4.1Å; S109-A174 WeakPolarHBondContact OG-CB 3.46Å; K123-A174 PolarHBondContact NZ-O 3.31Å; L170-A174 WeakPolarHBondContact O-CB 3.33Å; L170-A174 PolarHBondContact O-N 3.43Å; S171-A174 PolarHBondContact O-N 3.46Å
175N76.9Confident80.2Confident24 Ų2441.5 Ų41.513%0.12821%0.208CC..Hα-helixtrans-104.3-11.7-177.5-67.4-75.8000114.5R51 M55 N113 S171 W172 K173 M177R51-N175 VanDerWaalsContact NE-CG 3.26Å; R51-N175 PolarHBondContact NE-ND2 3.24Å; R51-N175 VanDerWaalsContact NE-ND2 3.13Å; M55-N175 VanDerWaalsContact CE-ND2 3.29Å; M55-N175 WeakPolarHBondContact CE-ND2 3.33Å; N113-N175 PolarHBondContact ND2-OD1 3.32Å; N113-N175 VanDerWaalsContact ND2-OD1 3.09Å; S171-N175 WeakPolarHBondContact O-CB 3.31Å; S171-N175 PolarHBondContact O-N 2.84Å; S171-N175 VanDerWaalsContact O-N 3.12Å; S171-N175 PolarHBondContact O-ND2 3.38Å; W172-N175 PolarHBondContact O-N 3.08Å; K173-N175 PolarHBondContact O-N 3.11Å; N175-M177 PolarHBondContact O-N 3.25Å
176K75Confident79.9Confident107 Ų10741.3 Ų41.347%0.46519%0.188SC..  trans-69.6120.4170-171.7178.4-174.2-175.70108.7K123 W172K123-K176 WeakPolarHBondContact CE-O 3.25Å; K123-K176 PolarHBondContact NZ-O 3.36Å; W172-K176 HydrophobicContact CD2-CD 4.47Å; W172-K176 HydrophobicContact CH2-CD 3.74Å; W172-K176 HydrophobicContact CZ2-CD 3.5Å; W172-K176 VanDerWaalsContact CZ2-CD 3.5Å; W172-K176 HydrophobicContact CZ3-CD 4.29Å; W172-K176 VanDerWaalsContact O-CB 3.27Å; W172-K176 WeakPolarHBondContact O-CB 3.2Å; W172-K176 PolarHBondContact O-N 2.95Å
177M56.9Low79.3Confident167 Ų16743.2 Ų43.282%0.82320%0.198SC*.  trans-800173.6-68.3-80.2-85.200109.3L115 R126 N175L115-M177 HydrophobicContact CD2-CE 4.21Å; L115-M177 HydrophobicContact CD2-SD 4.06Å; R126-M177 PolarHBondContact NH1-OXT 2.98Å; R126-M177 PolarHBondContact NH2-OXT 3.48Å; N175-M177 PolarHBondContact O-N 3.25Å

Retrieved 177 of 177 residues in 161.6 ms (Link to these results)

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