G4VEJ5_SCHMA Loading...

Putative mitochondrial carrier protein

AlphaFold DB , UniProt , Accession G4VEJ5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 290 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M50.2Low74.3Confident201 Ų20191.5 Ų91.599%0.9950%0.498SS*.  0-48.50-87.7173.2169.200112.9T3 N4 N5M1-T3 PolarHBondContact O-N 2.98Å; M1-N4 PolarHBondContact O-N 3.15Å; M1-N5 PolarHBondContact O-N 3.08Å
2S60.3Low75.2Confident81 Ų8188.8 Ų88.857%0.56649%0.492SS*.Hα-helixtrans-57.5-41.2-179.9171.10000114.8N4 N5 N6S2-N4 PolarHBondContact O-N 3.28Å; S2-N5 PolarHBondContact O-N 3.43Å; S2-N6 PolarHBondContact O-N 3.39Å
3T62.8Low76Confident88 Ų8889.1 Ų89.154%0.5449%0.491SS..Hα-helixtrans-61.8-41.3178.850.30000113M1 N5 N6 H7M1-T3 PolarHBondContact O-N 2.98Å; T3-N5 VanDerWaalsContact C-N 3.35Å; T3-N5 PolarHBondContact O-N 2.59Å; T3-N6 PolarHBondContact O-N 2.81Å; T3-H7 VanDerWaalsContact O-CG 3.3Å; T3-H7 PolarHBondContact O-N 2.96Å; T3-H7 VanDerWaalsContact O-N 3.07Å; T3-H7 PolarHBondContact O-ND1 2.93Å
4N70Confident76.9Confident95 Ų9586 Ų8651%0.50847%0.473SS..Hα-helixtrans-65.6-37.6177-78.9-12.5000112M1 S2 H7 A8M1-N4 PolarHBondContact O-N 3.15Å; S2-N4 PolarHBondContact O-N 3.28Å; N4-H7 PolarHBondContact O-N 3.17Å; N4-A8 WeakPolarHBondContact O-CB 3.29Å; N4-A8 PolarHBondContact O-N 2.85Å
5N76.3Confident77.7Confident94 Ų9480.3 Ų80.350%0.50344%0.442SS..Hα-helixtrans-66.9-44.8176.5-68.8-1.1000111.2M1 S2 T3 H7 A8 H9M1-N5 PolarHBondContact O-N 3.08Å; S2-N5 PolarHBondContact O-N 3.43Å; T3-N5 VanDerWaalsContact C-N 3.35Å; T3-N5 PolarHBondContact O-N 2.59Å; N5-H7 VanDerWaalsContact C-N 3.31Å; N5-H7 PolarHBondContact O-N 3.02Å; N5-A8 PolarHBondContact O-N 3.47Å; N5-A8 VanDerWaalsContact O-N 3.14Å; N5-H9 PolarHBondContact O-CD2 3.2Å; N5-H9 PolarHBondContact O-N 3.16Å
6N79.6Confident78.3Confident99 Ų9976.7 Ų76.753%0.52943%0.429SS..Hα-helixtrans-59.8-42177.6-69.3-5000111.7S2 T3 H9 L10S2-N6 PolarHBondContact O-N 3.39Å; T3-N6 PolarHBondContact O-N 2.81Å; N6-H9 PolarHBondContact O-N 3.45Å; N6-L10 WeakPolarHBondContact O-CB 3.21Å; N6-L10 PolarHBondContact O-N 3.26Å
7H81.7Confident78.9Confident70 Ų7074.1 Ų74.132%0.32442%0.417SS..Hα-helixtrans-65.3-41.3174.8-65.4133.8000112.3T3 N4 N5 L10 I11 V285T3-H7 VanDerWaalsContact O-CG 3.3Å; T3-H7 PolarHBondContact O-N 2.96Å; T3-H7 VanDerWaalsContact O-N 3.07Å; T3-H7 PolarHBondContact O-ND1 2.93Å; N4-H7 PolarHBondContact O-N 3.17Å; N5-H7 VanDerWaalsContact C-N 3.31Å; N5-H7 PolarHBondContact O-N 3.02Å; H7-L10 PolarHBondContact O-N 3.39Å; H7-I11 WeakPolarHBondContact O-CB 3.26Å; H7-I11 VanDerWaalsContact O-CG1 3.25Å; H7-I11 WeakPolarHBondContact O-CG1 3.34Å; H7-I11 PolarHBondContact O-N 2.94Å; H7-V285 HydrophobicContact CB-CG1 4.15Å
8A81.6Confident79.5Confident49 Ų4972.4 Ų72.441%0.40541%0.409SS..Hα-helixtrans-61.1-45.3176.300000111.4N4 N5 L10 I11 S12N4-A8 WeakPolarHBondContact O-CB 3.29Å; N4-A8 PolarHBondContact O-N 2.85Å; N5-A8 PolarHBondContact O-N 3.47Å; N5-A8 VanDerWaalsContact O-N 3.14Å; A8-L10 VanDerWaalsContact C-N 3.35Å; A8-L10 PolarHBondContact O-N 3.24Å; A8-I11 PolarHBondContact O-N 3.16Å; A8-S12 PolarHBondContact O-N 2.79Å; A8-S12 PolarHBondContact O-OG 2.89Å
9H82.8Confident80.1Confident131 Ų13168.6 Ų68.661%0.60639%0.388SS*.Hα-helixtrans-61.2-42.2174.8-67.6-57.2000112.2N5 N6 S12 L13N5-H9 PolarHBondContact O-CD2 3.2Å; N5-H9 PolarHBondContact O-N 3.16Å; N6-H9 PolarHBondContact O-N 3.45Å; H9-S12 PolarHBondContact O-N 3.39Å; H9-L13 VanDerWaalsContact O-CB 3.32Å; H9-L13 WeakPolarHBondContact O-CB 3.08Å; H9-L13 PolarHBondContact O-N 3.24Å
10L85.5Confident80.5Confident76 Ų7666.1 Ų66.140%0.39838%0.377SS..Hα-helixtrans-63.6-45.4176.7-178.764.2000111.9N6 H7 A8 L13 L14N6-L10 WeakPolarHBondContact O-CB 3.21Å; N6-L10 PolarHBondContact O-N 3.26Å; H7-L10 PolarHBondContact O-N 3.39Å; A8-L10 VanDerWaalsContact C-N 3.35Å; A8-L10 PolarHBondContact O-N 3.24Å; L10-L13 PolarHBondContact O-N 3.47Å; L10-L14 HydrophobicContact CD1-CD1 4.04Å; L10-L14 HydrophobicContact CD1-CG 4.12Å; L10-L14 HydrophobicContact CG-CD1 3.93Å; L10-L14 HydrophobicContact CG-CG 4.38Å; L10-L14 WeakPolarHBondContact O-CB 3.12Å; L10-L14 VanDerWaalsContact O-CG 3.3Å; L10-L14 WeakPolarHBondContact O-CG 3.47Å; L10-L14 PolarHBondContact O-N 2.82Å
11I86.8Confident81.1Confident22 Ų2265.6 Ų65.611%0.11337%0.373CS..Hα-helixtrans-61-47177.3-69.6163.2000110H7 A8 L13 L14 A15 T278 W281 V285H7-I11 WeakPolarHBondContact O-CB 3.26Å; H7-I11 VanDerWaalsContact O-CG1 3.25Å; H7-I11 WeakPolarHBondContact O-CG1 3.34Å; H7-I11 PolarHBondContact O-N 2.94Å; A8-I11 PolarHBondContact O-N 3.16Å; I11-L13 VanDerWaalsContact C-N 3.33Å; I11-L13 PolarHBondContact O-N 3.32Å; I11-L14 PolarHBondContact O-N 3.14Å; I11-A15 WeakPolarHBondContact O-CB 3.22Å; I11-A15 PolarHBondContact O-N 3.04Å; I11-T278 HydrophobicContact CG2-CG2 4.43Å; I11-W281 HydrophobicContact CG2-CB 4.17Å; I11-V285 HydrophobicContact CD1-CB 4.04Å; I11-V285 HydrophobicContact CD1-CG1 4.05Å; I11-V285 HydrophobicContact CD1-CG2 4.43Å; I11-V285 HydrophobicContact CG1-CB 4.02Å; I11-V285 HydrophobicContact CG1-CG1 4.23Å; I11-V285 HydrophobicContact CG1-CG2 3.85Å
12S85.3Confident83Confident60 Ų6057.9 Ų57.942%0.4234%0.339SS..Hα-helixtrans-62.3-39.5177.6-64.80000112.3A8 H9 G16A8-S12 PolarHBondContact O-N 2.79Å; A8-S12 PolarHBondContact O-OG 2.89Å; H9-S12 PolarHBondContact O-N 3.39Å; S12-G16 PolarHBondContact O-N 3.47Å
13L85.7Confident84.5Confident92 Ų9254.8 Ų54.848%0.48232%0.317SS..Hα-helixtrans-65.2-47.9176.2-176.669.3000111.5H9 L10 I11 S17H9-L13 VanDerWaalsContact O-CB 3.32Å; H9-L13 WeakPolarHBondContact O-CB 3.08Å; H9-L13 PolarHBondContact O-N 3.24Å; L10-L13 PolarHBondContact O-N 3.47Å; I11-L13 VanDerWaalsContact C-N 3.33Å; I11-L13 PolarHBondContact O-N 3.32Å; L13-S17 VanDerWaalsContact O-CB 3.28Å; L13-S17 WeakPolarHBondContact O-CB 3.38Å; L13-S17 PolarHBondContact O-N 3.19Å; L13-S17 PolarHBondContact O-OG 3.23Å
14L88.9Confident85.9Confident46 Ų4653.4 Ų53.424%0.24131%0.306CS..Hα-helixtrans-66.5-44.8179.9-70.4175.3000111.7L10 I11 S17 T18 W281L10-L14 HydrophobicContact CD1-CD1 4.04Å; L10-L14 HydrophobicContact CD1-CG 4.12Å; L10-L14 HydrophobicContact CG-CD1 3.93Å; L10-L14 HydrophobicContact CG-CG 4.38Å; L10-L14 WeakPolarHBondContact O-CB 3.12Å; L10-L14 VanDerWaalsContact O-CG 3.3Å; L10-L14 WeakPolarHBondContact O-CG 3.47Å; L10-L14 PolarHBondContact O-N 2.82Å; I11-L14 PolarHBondContact O-N 3.14Å; L14-S17 PolarHBondContact O-N 3.27Å; L14-S17 PolarHBondContact O-OG 3.42Å; L14-T18 WeakPolarHBondContact O-CB 3.26Å; L14-T18 PolarHBondContact O-N 2.71Å; L14-T18 PolarHBondContact O-OG1 2.77Å; L14-W281 HydrophobicContact CB-CD2 3.78Å; L14-W281 HydrophobicContact CB-CE3 4.37Å; L14-W281 HydrophobicContact CB-CG 3.88Å; L14-W281 HydrophobicContact CB-CZ2 4.31Å; L14-W281 HydrophobicContact CD1-CD2 3.99Å; L14-W281 HydrophobicContact CD1-CE3 3.71Å; L14-W281 HydrophobicContact CD1-CH2 4.36Å; L14-W281 HydrophobicContact CD1-CZ3 3.91Å; L14-W281 HydrophobicContact CG-CD2 4.48Å
15A88.3Confident86.9Confident0 Ų052.8 Ų52.80%030%0.303CS..Hα-helixtrans-63.8-44.9176.500000111.8I11 T18 A19 Y274I11-A15 WeakPolarHBondContact O-CB 3.22Å; I11-A15 PolarHBondContact O-N 3.04Å; A15-T18 PolarHBondContact O-N 3.09Å; A15-A19 VanDerWaalsContact O-CB 3.27Å; A15-A19 WeakPolarHBondContact O-CB 3.27Å; A15-A19 PolarHBondContact O-N 2.95Å; A15-Y274 HydrophobicContact CB-CE2 4.38Å
16G87.1Confident87.7Confident23 Ų2351.1 Ų51.124%0.23730%0.301CS..Hα-helixtrans-61.5-44.2175.200000112.4S12 G20S12-G16 PolarHBondContact O-N 3.47Å; G16-G20 PolarHBondContact O-N 3.47Å
17S87.8Confident88.3Confident33 Ų3347.1 Ų47.123%0.23128%0.28CS..Hα-helixtrans-65.9-41.417872.40000112.4L13 L14 G20 L21L13-S17 VanDerWaalsContact O-CB 3.28Å; L13-S17 WeakPolarHBondContact O-CB 3.38Å; L13-S17 PolarHBondContact O-N 3.19Å; L13-S17 PolarHBondContact O-OG 3.23Å; L14-S17 PolarHBondContact O-N 3.27Å; L14-S17 PolarHBondContact O-OG 3.42Å; S17-G20 PolarHBondContact O-N 3.39Å; S17-L21 WeakPolarHBondContact O-CB 3.22Å; S17-L21 VanDerWaalsContact O-CG 3.28Å; S17-L21 WeakPolarHBondContact O-CG 3.41Å; S17-L21 PolarHBondContact O-N 3.19Å
18T90.9Very high88.7Confident44 Ų4444.1 Ų44.127%0.2727%0.266SS..Hα-helixtrans-67.5-44.5178.9-57.40000110.5L14 A15 S22 W281L14-T18 WeakPolarHBondContact O-CB 3.26Å; L14-T18 PolarHBondContact O-N 2.71Å; L14-T18 PolarHBondContact O-OG1 2.77Å; A15-T18 PolarHBondContact O-N 3.09Å; T18-S22 VanDerWaalsContact O-CB 3.3Å; T18-S22 WeakPolarHBondContact O-CB 3.36Å; T18-S22 PolarHBondContact O-N 3.4Å; T18-S22 PolarHBondContact O-OG 3.23Å; T18-W281 PolarHBondContact OG1-NE1 2.65Å; T18-W281 VanDerWaalsContact OG1-NE1 3.1Å
19A89.9Confident89.2Confident0 Ų043.2 Ų43.20%026%0.256CS..Hα-helixtrans-62.7-46.1175.800000111.9A15 S22 V23 F270 I273 Y274A15-A19 VanDerWaalsContact O-CB 3.27Å; A15-A19 WeakPolarHBondContact O-CB 3.27Å; A15-A19 PolarHBondContact O-N 2.95Å; A19-S22 PolarHBondContact O-N 2.89Å; A19-V23 VanDerWaalsContact O-CG2 3.25Å; A19-V23 WeakPolarHBondContact O-CG2 3.39Å; A19-V23 PolarHBondContact O-N 2.74Å; A19-F270 HydrophobicContact CB-CD2 3.91Å; A19-F270 HydrophobicContact CB-CE2 3.76Å; A19-F270 HydrophobicContact CB-CZ 4.43Å; A19-I273 HydrophobicContact CB-CB 4.3Å; A19-I273 HydrophobicContact CB-CG2 4Å; A19-Y274 HydrophobicContact CB-CD2 4.46Å
20G89.5Confident89.5Confident18 Ų1839.3 Ų39.319%0.18624%0.239CC..Hα-helixtrans-58.6-51.9176.300000112.5G16 S17 S22 V23 D24G16-G20 PolarHBondContact O-N 3.47Å; S17-G20 PolarHBondContact O-N 3.39Å; G20-S22 VanDerWaalsContact C-N 3.28Å; G20-S22 PolarHBondContact O-N 3.2Å; G20-V23 PolarHBondContact O-N 3.45Å; G20-D24 PolarHBondContact O-N 2.95Å
21L91.4Very high89.8Confident55 Ų5536.6 Ų36.629%0.28823%0.225SC..Hα-helixtrans-62.9-33.9178.3-71.4175.2000112.8S17 L25 A61S17-L21 WeakPolarHBondContact O-CB 3.22Å; S17-L21 VanDerWaalsContact O-CG 3.28Å; S17-L21 WeakPolarHBondContact O-CG 3.41Å; S17-L21 PolarHBondContact O-N 3.19Å; L21-L25 VanDerWaalsContact O-CB 3.25Å; L21-L25 WeakPolarHBondContact O-CB 3.31Å; L21-L25 PolarHBondContact O-N 3.34Å; L21-A61 HydrophobicContact CD2-CB 3.9Å
22S91.7Very high90Very high40 Ų4035.5 Ų35.528%0.2822%0.22SC..Hα-helixtrans-70-39.7177.7-58.70000111.9T18 A19 G20 L25 A26 I273T18-S22 VanDerWaalsContact O-CB 3.3Å; T18-S22 WeakPolarHBondContact O-CB 3.36Å; T18-S22 PolarHBondContact O-N 3.4Å; T18-S22 PolarHBondContact O-OG 3.23Å; A19-S22 PolarHBondContact O-N 2.89Å; G20-S22 VanDerWaalsContact C-N 3.28Å; G20-S22 PolarHBondContact O-N 3.2Å; S22-L25 PolarHBondContact O-N 2.84Å; S22-A26 WeakPolarHBondContact O-CB 3.42Å; S22-A26 PolarHBondContact O-N 2.96Å; S22-I273 VanDerWaalsContact CB-CD1 3.41Å
23V91.6Very high90.2Very high16 Ų1635.7 Ų35.710%0.09722%0.215CC..Hα-helixtrans-63.2-48.8172.6173.10000110.1A19 G20 L25 A26 L27 I269 F270A19-V23 VanDerWaalsContact O-CG2 3.25Å; A19-V23 WeakPolarHBondContact O-CG2 3.39Å; A19-V23 PolarHBondContact O-N 2.74Å; G20-V23 PolarHBondContact O-N 3.45Å; V23-L25 VanDerWaalsContact C-N 3.28Å; V23-L25 PolarHBondContact O-N 3.46Å; V23-A26 PolarHBondContact O-N 2.96Å; V23-L27 HydrophobicContact CG1-CD1 3.92Å; V23-L27 WeakPolarHBondContact O-CB 3.48Å; V23-L27 WeakPolarHBondContact O-CG 3.49Å; V23-L27 PolarHBondContact O-N 2.81Å; V23-I269 HydrophobicContact CB-CG2 4.5Å; V23-I269 HydrophobicContact CG2-CB 4.04Å; V23-I269 HydrophobicContact CG2-CG2 3.68Å; V23-F270 VanDerWaalsContact CG2-CA 3.48Å; V23-F270 HydrophobicContact CG2-CB 3.77Å; V23-F270 HydrophobicContact CG2-CD2 4.3Å
24D90.9Very high90.5Very high59 Ų5932.7 Ų32.732%0.31620%0.198SC..Hα-helixtrans-57.4-44.3178.2-74.2-20.2000110.6G20 F28 F57G20-D24 PolarHBondContact O-N 2.95Å; D24-F28 VanDerWaalsContact O-CA 3.3Å; D24-F28 WeakPolarHBondContact O-CA 3.37Å; D24-F28 WeakPolarHBondContact O-CB 3.48Å; D24-F28 PolarHBondContact O-N 3.38Å; D24-F57 HydrophobicContact CB-CE2 4.06Å
25L92.1Very high90.6Very high82 Ų8230.5 Ų30.543%0.42919%0.187SC..Hα-helixtrans-64.8-48.6177.7-174.269.6000111.7L21 S22 V23 L27 F28 F54 F57L21-L25 VanDerWaalsContact O-CB 3.25Å; L21-L25 WeakPolarHBondContact O-CB 3.31Å; L21-L25 PolarHBondContact O-N 3.34Å; S22-L25 PolarHBondContact O-N 2.84Å; V23-L25 VanDerWaalsContact C-N 3.28Å; V23-L25 PolarHBondContact O-N 3.46Å; L25-L27 PolarHBondContact O-N 3.26Å; L25-F28 PolarHBondContact O-N 3.49Å; L25-F54 HydrophobicContact CD1-CD1 3.94Å; L25-F54 HydrophobicContact CD1-CE1 3.73Å; L25-F54 HydrophobicContact CG-CE1 4.35Å; L25-F54 VanDerWaalsContact O-CE1 3.31Å; L25-F54 WeakPolarHBondContact O-CE1 3.1Å; L25-F57 HydrophobicContact CB-CE2 4.01Å; L25-F57 HydrophobicContact CB-CZ 4.14Å; L25-F57 HydrophobicContact CD1-CD1 4.44Å; L25-F57 HydrophobicContact CD1-CD2 4.44Å; L25-F57 HydrophobicContact CD1-CE1 4.17Å; L25-F57 HydrophobicContact CD1-CE2 4.16Å; L25-F57 HydrophobicContact CD1-CZ 4.02Å
26A91.8Very high90.6Very high58 Ų5831.1 Ų31.148%0.47919%0.189SC..Hα-helixtrans-62-35.5-178.700000112.3S22 V23 I269S22-A26 WeakPolarHBondContact O-CB 3.42Å; S22-A26 PolarHBondContact O-N 2.96Å; V23-A26 PolarHBondContact O-N 2.96Å; A26-I269 HydrophobicContact CB-CD1 4.14Å
27L92.2Very high90.7Very high15 Ų1532 Ų328%0.07919%0.188CC..Hα-helixtrans-103.1-2.6-173.8-62.7-174.5000114.2V23 L25 P29 I30 D31 L262 V265 I269V23-L27 HydrophobicContact CG1-CD1 3.92Å; V23-L27 WeakPolarHBondContact O-CB 3.48Å; V23-L27 WeakPolarHBondContact O-CG 3.49Å; V23-L27 PolarHBondContact O-N 2.81Å; L25-L27 PolarHBondContact O-N 3.26Å; L27-P29 VanDerWaalsContact C-CD 3.41Å; L27-P29 VanDerWaalsContact C-N 3.31Å; L27-I30 HydrophobicContact CD2-CD1 4.16Å; L27-I30 WeakPolarHBondContact O-CB 3.28Å; L27-I30 PolarHBondContact O-N 3.16Å; L27-D31 PolarHBondContact O-N 2.9Å; L27-L262 HydrophobicContact CB-CD2 3.62Å; L27-L262 HydrophobicContact CD1-CD2 4.24Å; L27-L262 HydrophobicContact CG-CD2 4.44Å; L27-V265 HydrophobicContact CD1-CB 4.46Å; L27-V265 HydrophobicContact CD2-CB 4.26Å; L27-V265 HydrophobicContact CD2-CG1 3.81Å; L27-I269 HydrophobicContact CD2-CD1 4.09Å; L27-I269 HydrophobicContact CG-CD1 4.25Å
28F91.6Very high90.7Very high7 Ų730.6 Ų30.63%0.03118%0.178CC..Hα-helixtrans-53.3-41-179.4-152-92000113.7D24 L25 I30 D31 T32 L53 F54 F57 K115 Q119D24-F28 VanDerWaalsContact O-CA 3.3Å; D24-F28 WeakPolarHBondContact O-CA 3.37Å; D24-F28 WeakPolarHBondContact O-CB 3.48Å; D24-F28 PolarHBondContact O-N 3.38Å; L25-F28 PolarHBondContact O-N 3.49Å; F28-I30 VanDerWaalsContact C-N 3.27Å; F28-I30 PolarHBondContact O-N 2.89Å; F28-D31 WeakPolarHBondContact O-CB 3.3Å; F28-D31 PolarHBondContact O-N 3.29Å; F28-T32 PolarHBondContact O-N 3.32Å; F28-T32 PolarHBondContact O-OG1 2.9Å; F28-L53 WeakPolarHBondContact CD1-O 3.32Å; F28-L53 WeakPolarHBondContact CE1-O 3.44Å; F28-F54 HydrophobicContact CB-CD1 3.96Å; F28-F54 HydrophobicContact CB-CE1 4.05Å; F28-F54 VanDerWaalsContact CD1-CA 3.49Å; F28-F54 HydrophobicContact CD1-CB 4.44Å; F28-F54 HydrophobicContact CD1-CD1 4.25Å; F28-F54 VanDerWaalsContact CE1-C 3.49Å; F28-F54 HydrophobicContact CG-CD1 4.34Å; F28-F57 HydrophobicContact CD1-CB 4.35Å; F28-F57 HydrophobicContact CD2-CB 3.98Å; F28-F57 AromaticContact CD2-CD2 3.62Å; F28-F57 HydrophobicContact CD2-CD2 3.62Å; F28-F57 HydrophobicContact CD2-CG 4.29Å; F28-F57 HydrophobicContact CE1-CB 4.1Å; F28-F57 HydrophobicContact CE2-CB 3.71Å; F28-F57 AromaticContact CE2-CD2 3.95Å; F28-F57 HydrophobicContact CE2-CD2 3.95Å; F28-F57 HydrophobicContact CE2-CG 4.34Å; F28-F57 HydrophobicContact CG-CB 4.27Å; F28-F57 HydrophobicContact CG-CD2 4.23Å; F28-F57 VanDerWaalsContact CZ-CA 3.48Å; F28-F57 HydrophobicContact CZ-CB 3.76Å; F28-K115 HydrophobicContact CE2-CD 3.9Å; F28-K115 HydrophobicContact CE2-CG 4.3Å; F28-K115 HydrophobicContact CZ-CD 4.01Å; F28-K115 HydrophobicContact CZ-CG 3.94Å; F28-Q119 HydrophobicContact CE1-CG 4.35Å; F28-Q119 HydrophobicContact CZ-CG 4.44Å
29P90.7Very high90.6Very high30 Ų3028.8 Ų28.820%0.19517%0.167CC..Hα-helixtrans-59.6-37.3176.6-26.637.2000113.5L27 T32 I33 L53 F54L27-P29 VanDerWaalsContact C-CD 3.41Å; L27-P29 VanDerWaalsContact C-N 3.31Å; P29-T32 PolarHBondContact O-N 3.02Å; P29-I33 WeakPolarHBondContact O-CG1 3.41Å; P29-I33 PolarHBondContact O-N 3.44Å; P29-I33 VanDerWaalsContact O-N 3.1Å; P29-L53 HydrophobicContact CB-CB 4.11Å; P29-L53 HydrophobicContact CB-CD1 4.05Å; P29-L53 HydrophobicContact CG-CB 4.45Å; P29-F54 HydrophobicContact CG-CE1 4.31Å; P29-F54 HydrophobicContact CG-CE2 4.03Å; P29-F54 HydrophobicContact CG-CZ 3.76Å
30I90.8Very high89.9Confident50 Ų5034.7 Ų34.726%0.25619%0.193SC..Hα-helixtrans-72.4-38.4177.8-57178.3000110.1L27 F28 T32 I33 K34 P258 T261 L262L27-I30 HydrophobicContact CD2-CD1 4.16Å; L27-I30 WeakPolarHBondContact O-CB 3.28Å; L27-I30 PolarHBondContact O-N 3.16Å; F28-I30 VanDerWaalsContact C-N 3.27Å; F28-I30 PolarHBondContact O-N 2.89Å; I30-T32 VanDerWaalsContact C-N 3.33Å; I30-T32 PolarHBondContact O-N 3.34Å; I30-I33 PolarHBondContact O-N 3.18Å; I30-K34 WeakPolarHBondContact O-CB 3.41Å; I30-K34 PolarHBondContact O-N 2.95Å; I30-P258 HydrophobicContact CG2-CB 3.73Å; I30-T261 HydrophobicContact CD1-CG2 4.06Å; I30-L262 HydrophobicContact CB-CD2 3.82Å; I30-L262 HydrophobicContact CB-CG 4.3Å; I30-L262 HydrophobicContact CG2-CD1 4.35Å; I30-L262 HydrophobicContact CG2-CD2 3.85Å; I30-L262 HydrophobicContact CG2-CG 3.77Å
31D91.6Very high89Confident18 Ų1839.4 Ų39.410%0.09621%0.21CC..Hα-helixtrans-59.8-44.2173.1-169.561.9000111.3L27 F28 I33 K34 T35 K115 Q119 L262L27-D31 PolarHBondContact O-N 2.9Å; F28-D31 WeakPolarHBondContact O-CB 3.3Å; F28-D31 PolarHBondContact O-N 3.29Å; D31-I33 PolarHBondContact O-N 3.27Å; D31-K34 WeakPolarHBondContact O-CB 3.2Å; D31-K34 PolarHBondContact O-N 3.1Å; D31-K34 WeakPolarHBondContact OD1-CE 3.28Å; D31-K34 IonicContact OD1-NZ 2.88Å; D31-K34 PolarHBondContact OD1-NZ 3.43Å; D31-T35 PolarHBondContact O-N 3.02Å; D31-T35 PolarHBondContact O-OG1 2.95Å; D31-T35 VanDerWaalsContact O-OG1 3.13Å; D31-K115 IonicContact OD2-NZ 3.04Å; D31-K115 PolarHBondContact OD2-NZ 3.09Å; D31-Q119 PolarHBondContact OD2-NE2 3.37Å; D31-L262 HydrophobicContact CB-CD1 4.26Å; D31-L262 HydrophobicContact CB-CD2 4.47Å
32T90.5Very high87.7Confident0 Ų041 Ų410%022%0.219CC..Hα-helixtrans-61.9-41.7176-640000112.3F28 P29 I30 T35 R36 L53 Q119F28-T32 PolarHBondContact O-N 3.32Å; F28-T32 PolarHBondContact O-OG1 2.9Å; P29-T32 PolarHBondContact O-N 3.02Å; I30-T32 VanDerWaalsContact C-N 3.33Å; I30-T32 PolarHBondContact O-N 3.34Å; T32-T35 PolarHBondContact O-N 3.2Å; T32-R36 VanDerWaalsContact O-CG 3.31Å; T32-R36 WeakPolarHBondContact O-CG 3.34Å; T32-R36 PolarHBondContact O-N 2.98Å; T32-R36 VanDerWaalsContact O-N 3.09Å; T32-L53 WeakPolarHBondContact CB-O 3.46Å; T32-L53 HydrophobicContact CG2-CD2 3.96Å; T32-L53 PolarHBondContact OG1-O 3.07Å; T32-Q119 HydrophobicContact CG2-CB 4.13Å; T32-Q119 HydrophobicContact CG2-CG 4.21Å; T32-Q119 WeakPolarHBondContact OG1-CG 3.43Å; T32-Q119 PolarHBondContact OG1-NE2 2.84Å; T32-Q119 VanDerWaalsContact OG1-NE2 3.14Å
33I89.4Confident86.1Confident64 Ų6442.6 Ų42.633%0.32822%0.224SC..Hα-helixtrans-63.1-45.3175.3-68.5164.8000110.6P29 I30 D31 R36 L37P29-I33 WeakPolarHBondContact O-CG1 3.41Å; P29-I33 PolarHBondContact O-N 3.44Å; P29-I33 VanDerWaalsContact O-N 3.1Å; I30-I33 PolarHBondContact O-N 3.18Å; D31-I33 PolarHBondContact O-N 3.27Å; I33-R36 PolarHBondContact O-N 3.19Å; I33-L37 HydrophobicContact CG2-CD1 3.92Å; I33-L37 HydrophobicContact CG2-CG 4.39Å; I33-L37 WeakPolarHBondContact O-CG 3.32Å; I33-L37 PolarHBondContact O-N 3.46Å
34K91.2Very high84.5Confident28 Ų2845.5 Ų45.512%0.12224%0.242CC..Hα-helixtrans-56.1-52.6175.5178.2-166.865-175.10111.1I30 D31 R36 L37 Q38 P258 R259 L262I30-K34 WeakPolarHBondContact O-CB 3.41Å; I30-K34 PolarHBondContact O-N 2.95Å; D31-K34 WeakPolarHBondContact O-CB 3.2Å; D31-K34 PolarHBondContact O-N 3.1Å; D31-K34 WeakPolarHBondContact OD1-CE 3.28Å; D31-K34 IonicContact OD1-NZ 2.88Å; D31-K34 PolarHBondContact OD1-NZ 3.43Å; K34-R36 VanDerWaalsContact C-N 3.26Å; K34-R36 PolarHBondContact O-N 3.43Å; K34-L37 PolarHBondContact O-N 2.87Å; K34-L37 VanDerWaalsContact O-N 3.17Å; K34-Q38 HydrophobicContact CG-CG 4.48Å; K34-Q38 WeakPolarHBondContact O-CG 3.24Å; K34-Q38 PolarHBondContact O-N 2.9Å; K34-P258 HydrophobicContact CB-CB 4.01Å; K34-P258 HydrophobicContact CB-CG 3.9Å; K34-P258 HydrophobicContact CG-CG 4.28Å; K34-R259 HydrophobicContact CD-CB 4.16Å; K34-L262 HydrophobicContact CD-CD1 3.9Å
35T90.9Very high82.6Confident1 Ų148.9 Ų48.91%0.00626%0.256CS..Hα-helixtrans-57.7-40-179.3-60.40000111.6D31 T32 Q38 S39 Q116 Q119 T220 L224D31-T35 PolarHBondContact O-N 3.02Å; D31-T35 PolarHBondContact O-OG1 2.95Å; D31-T35 VanDerWaalsContact O-OG1 3.13Å; T32-T35 PolarHBondContact O-N 3.2Å; T35-Q38 PolarHBondContact O-N 2.71Å; T35-S39 PolarHBondContact O-N 2.85Å; T35-Q116 HydrophobicContact CG2-CB 4.01Å; T35-Q116 HydrophobicContact CG2-CG 4.06Å; T35-Q119 HydrophobicContact CG2-CB 4.2Å; T35-Q119 PolarHBondContact OG1-OE1 3.14Å; T35-T220 HydrophobicContact CG2-CG2 4.05Å; T35-L224 HydrophobicContact CG2-CD1 4.4Å
36R89.5Confident80.6Confident12 Ų1256.4 Ų56.45%0.04528%0.279CS..Hα-helixtrans-69.2-39.4177.6-70.9173.2-176-176.70.5113.2T32 I33 K34 Q38 S39 T47 Q119T32-R36 VanDerWaalsContact O-CG 3.31Å; T32-R36 WeakPolarHBondContact O-CG 3.34Å; T32-R36 PolarHBondContact O-N 2.98Å; T32-R36 VanDerWaalsContact O-N 3.09Å; I33-R36 PolarHBondContact O-N 3.19Å; K34-R36 VanDerWaalsContact C-N 3.26Å; K34-R36 PolarHBondContact O-N 3.43Å; R36-Q38 VanDerWaalsContact C-N 3.27Å; R36-Q38 PolarHBondContact O-N 2.77Å; R36-S39 WeakPolarHBondContact O-CB 3.43Å; R36-S39 PolarHBondContact O-N 3.33Å; R36-S39 PolarHBondContact O-OG 3.42Å; R36-T47 VanDerWaalsContact CZ-OG1 3.3Å; R36-T47 PolarHBondContact NH1-OG1 3.46Å; R36-T47 PolarHBondContact NH2-OG1 3.04Å; R36-Q119 PolarHBondContact NE-O 2.81Å; R36-Q119 PolarHBondContact NH2-O 2.9Å
37L88.2Confident78.8Confident43 Ų4355 Ų5523%0.22526%0.264CS..Hα-helixtrans-65.1-33.3174.1-72.1171.5000112I33 K34 S39 N42 V44 S254 P258I33-L37 HydrophobicContact CG2-CD1 3.92Å; I33-L37 HydrophobicContact CG2-CG 4.39Å; I33-L37 WeakPolarHBondContact O-CG 3.32Å; I33-L37 PolarHBondContact O-N 3.46Å; K34-L37 PolarHBondContact O-N 2.87Å; K34-L37 VanDerWaalsContact O-N 3.17Å; L37-S39 VanDerWaalsContact C-N 3.32Å; L37-N42 WeakPolarHBondContact CD2-OD1 3.32Å; L37-N42 PolarHBondContact O-OD1 2.86Å; L37-V44 HydrophobicContact CD2-CG2 3.5Å; L37-V44 VanDerWaalsContact CD2-CG2 3.5Å; L37-V44 HydrophobicContact CG-CG2 4.05Å; L37-S254 VanDerWaalsContact C-OG 3.32Å; L37-S254 PolarHBondContact O-OG 3.42Å; L37-P258 HydrophobicContact CD1-CG 4.08Å
38Q89.4Confident77Confident3 Ų359.1 Ų59.11%0.01429%0.291CS..Hα-helixtrans-80.5-11.7176.1-67.9179.8-16.200113.3K34 T35 R36 D216 V217 T220 R221 S254K34-Q38 HydrophobicContact CG-CG 4.48Å; K34-Q38 WeakPolarHBondContact O-CG 3.24Å; K34-Q38 PolarHBondContact O-N 2.9Å; T35-Q38 PolarHBondContact O-N 2.71Å; R36-Q38 VanDerWaalsContact C-N 3.27Å; R36-Q38 PolarHBondContact O-N 2.77Å; Q38-D216 PolarHBondContact NE2-OD2 3.23Å; Q38-V217 HydrophobicContact CB-CG1 4.5Å; Q38-V217 HydrophobicContact CG-CG2 4.14Å; Q38-T220 HydrophobicContact CB-CG2 3.66Å; Q38-T220 PolarHBondContact OE1-OG1 2.91Å; Q38-R221 WeakPolarHBondContact O-CD 3.38Å; Q38-R221 WeakPolarHBondContact O-CG 3.31Å; Q38-S254 WeakPolarHBondContact CG-O 3.33Å
39S87.2Confident75.4Confident6 Ų661.1 Ų61.14%0.04231%0.314CS..SBendtrans-73.9159.1176.982.10000111.9T35 R36 L37 H41 N42 N120T35-S39 PolarHBondContact O-N 2.85Å; R36-S39 WeakPolarHBondContact O-CB 3.43Å; R36-S39 PolarHBondContact O-N 3.33Å; R36-S39 PolarHBondContact O-OG 3.42Å; L37-S39 VanDerWaalsContact C-N 3.32Å; S39-H41 VanDerWaalsContact C-N 3.34Å; S39-H41 PolarHBondContact O-N 3.39Å; S39-N42 PolarHBondContact O-N 3.13Å; S39-N120 VanDerWaalsContact CB-OD1 3.29Å; S39-N120 WeakPolarHBondContact CB-OD1 3.34Å; S39-N120 PolarHBondContact OG-OD1 2.84Å
40F76.3Confident74Confident123 Ų12364 Ų6454%0.53934%0.335SS..THydrogen-bonded Turntrans-56.5-45.1179.9175.7-118.9000113.7N42 R221F40-N42 PolarHBondContact O-N 3.32Å; F40-N42 VanDerWaalsContact O-N 3.12Å; F40-R221 VanDerWaalsContact CB-CZ 3.48Å; F40-R221 VanDerWaalsContact CD2-CZ 3.47Å
41H70.7Confident72.8Confident117 Ų11768.7 Ų68.754%0.54236%0.36SS..THydrogen-bonded Turntrans-70.9-10.3-174.3-68.4100.8000113S39 N43S39-H41 VanDerWaalsContact C-N 3.34Å; S39-H41 PolarHBondContact O-N 3.39Å; H41-N43 HydrophobicContact CB-CB 3.8Å; H41-N43 WeakPolarHBondContact O-CA 3.44Å; H41-N43 PolarHBondContact O-N 2.89Å
42N64.2Low71.8Confident90 Ų9072.6 Ų72.648%0.48137%0.373SS..  trans41.727.5-169.5-16319.4000112.6L37 S39 F40 V44L37-N42 WeakPolarHBondContact CD2-OD1 3.32Å; L37-N42 PolarHBondContact O-OD1 2.86Å; S39-N42 PolarHBondContact O-N 3.13Å; F40-N42 PolarHBondContact O-N 3.32Å; F40-N42 VanDerWaalsContact O-N 3.12Å; N42-V44 PolarHBondContact O-N 2.95Å
43N57.6Low71.3Confident73 Ų7374.8 Ų74.839%0.3939%0.385SS..  trans-89.888.6-165.3-99.2-27.7000106.5H41 Q45H41-N43 HydrophobicContact CB-CB 3.8Å; H41-N43 WeakPolarHBondContact O-CA 3.44Å; H41-N43 PolarHBondContact O-N 2.89Å; N43-Q45 HydrophobicContact CB-CG 3.92Å; N43-Q45 PolarHBondContact ND2-NE2 3.47Å; N43-Q45 PolarHBondContact O-N 3.35Å
44V57.1Low71Confident76 Ų7674.8 Ų74.846%0.46138%0.382SS..  trans-70.849.4154.9-1640000108.2L37 N42 R46L37-V44 HydrophobicContact CD2-CG2 3.5Å; L37-V44 VanDerWaalsContact CD2-CG2 3.5Å; L37-V44 HydrophobicContact CG-CG2 4.05Å; N42-V44 PolarHBondContact O-N 2.95Å; V44-R46 PolarHBondContact O-N 2.97Å; V44-R46 VanDerWaalsContact O-N 3.07Å
45Q52.2Low70.6Confident130 Ų13074.4 Ų74.461%0.60739%0.385SS*.  trans-59.6120.6169.1-78.3-177.83.900105.9N43 T47N43-Q45 HydrophobicContact CB-CG 3.92Å; N43-Q45 PolarHBondContact ND2-NE2 3.47Å; N43-Q45 PolarHBondContact O-N 3.35Å; Q45-T47 VanDerWaalsContact C-N 3.3Å; Q45-T47 PolarHBondContact O-N 3.31Å; Q45-T47 PolarHBondContact O-OG1 2.92Å
46R50.3Low70.4Confident241 Ų24174.4 Ų74.491%0.90938%0.384SS*.  trans-52.1100.6173.7-72.9-174.5177.3179.7-0.1106.8V44 P48V44-R46 PolarHBondContact O-N 2.97Å; V44-R46 VanDerWaalsContact O-N 3.07Å; R46-P48 VanDerWaalsContact O-CD 3.24Å; R46-P48 WeakPolarHBondContact O-CD 3.38Å
47T54Low70.5Confident29 Ų2975.7 Ų75.718%0.17839%0.39CS..  trans-70.7121.3172-40.50000105.9R36 Q45 G49 R52 P122R36-T47 VanDerWaalsContact CZ-OG1 3.3Å; R36-T47 PolarHBondContact NH1-OG1 3.46Å; R36-T47 PolarHBondContact NH2-OG1 3.04Å; Q45-T47 VanDerWaalsContact C-N 3.3Å; Q45-T47 PolarHBondContact O-N 3.31Å; Q45-T47 PolarHBondContact O-OG1 2.92Å; T47-G49 PolarHBondContact O-N 2.96Å; T47-G49 VanDerWaalsContact O-N 3.1Å; T47-R52 HydrophobicContact CG2-CB 3.87Å; T47-R52 HydrophobicContact CG2-CG 4.19Å; T47-P122 HydrophobicContact CG2-CB 3.54Å; T47-P122 HydrophobicContact CG2-CG 3.49Å; T47-P122 VanDerWaalsContact CG2-CG 3.49Å
48P53.3Low70.5Confident100 Ų10076.9 Ų76.965%0.64940%0.401SS*.SBendtrans-62.7118.3177-18.931.4000108.9R46 R52R46-P48 VanDerWaalsContact O-CD 3.24Å; R46-P48 WeakPolarHBondContact O-CD 3.38Å; P48-R52 VanDerWaalsContact O-CD 3.28Å; P48-R52 WeakPolarHBondContact O-CD 3.37Å; P48-R52 PolarHBondContact O-NE 3.41Å
49G57.5Low70.5Confident49 Ų4977.3 Ų77.351%0.50541%0.405SS..SBendtrans110.2122.8174.200000115.3T47 L51 R52T47-G49 PolarHBondContact O-N 2.96Å; T47-G49 VanDerWaalsContact O-N 3.1Å; G49-L51 VanDerWaalsContact C-N 3.3Å; G49-L51 PolarHBondContact O-N 3.47Å; G49-R52 PolarHBondContact O-N 3.24Å
50S62.1Low70.6Confident91 Ų9178 Ų7864%0.63641%0.409SS*.G310 helixtrans-55.9-38.8179.6-178.60000113.4R52 L53S50-R52 PolarHBondContact O-N 2.89Å; S50-R52 VanDerWaalsContact O-N 3.13Å; S50-L53 WeakPolarHBondContact O-CB 3.43Å; S50-L53 PolarHBondContact O-N 2.99Å; S50-L53 VanDerWaalsContact O-N 3.1Å
51L64.9Low71.3Confident149 Ų14973.6 Ų73.678%0.7840%0.395SS*.G310 helixtrans-63.8-21.1-178.7-65176.7000113.9G49 L53 F54G49-L51 VanDerWaalsContact C-N 3.3Å; G49-L51 PolarHBondContact O-N 3.47Å; L51-L53 PolarHBondContact O-N 3.04Å; L51-F54 PolarHBondContact O-N 2.66Å; L51-F54 VanDerWaalsContact O-N 3.17Å
52R71.8Confident72.2Confident100 Ų10074.3 Ų74.338%0.37740%0.401SS..G310 helixtrans-74.1-15.7178.4-63.3-176.2-178.7-174.33.8112.9T47 P48 G49 S50 F54 A55 P122T47-R52 HydrophobicContact CG2-CB 3.87Å; T47-R52 HydrophobicContact CG2-CG 4.19Å; P48-R52 VanDerWaalsContact O-CD 3.28Å; P48-R52 WeakPolarHBondContact O-CD 3.37Å; P48-R52 PolarHBondContact O-NE 3.41Å; G49-R52 PolarHBondContact O-N 3.24Å; S50-R52 PolarHBondContact O-N 2.89Å; S50-R52 VanDerWaalsContact O-N 3.13Å; R52-F54 PolarHBondContact O-N 2.95Å; R52-A55 VanDerWaalsContact O-CB 3.29Å; R52-A55 WeakPolarHBondContact O-CB 3.23Å; R52-A55 PolarHBondContact O-N 3.46Å; R52-P122 HydrophobicContact CB-CB 4.35Å
53L79.8Confident73.4Confident45 Ų4570.3 Ų70.324%0.23638%0.382CS..G310 helixtrans-70-21.1171.4-66.6175000111.9F28 P29 T32 S50 L51 A55F28-L53 WeakPolarHBondContact CD1-O 3.32Å; F28-L53 WeakPolarHBondContact CE1-O 3.44Å; P29-L53 HydrophobicContact CB-CB 4.11Å; P29-L53 HydrophobicContact CB-CD1 4.05Å; P29-L53 HydrophobicContact CG-CB 4.45Å; T32-L53 WeakPolarHBondContact CB-O 3.46Å; T32-L53 HydrophobicContact CG2-CD2 3.96Å; T32-L53 PolarHBondContact OG1-O 3.07Å; S50-L53 WeakPolarHBondContact O-CB 3.43Å; S50-L53 PolarHBondContact O-N 2.99Å; S50-L53 VanDerWaalsContact O-N 3.1Å; L51-L53 PolarHBondContact O-N 3.04Å; L53-A55 VanDerWaalsContact C-N 3.33Å
54F83.7Confident74.8Confident65 Ų6568.8 Ų68.829%0.28538%0.376SS..G310 helixtrans-88.64.7175.7-67.1-88.1000114.1L25 F28 P29 L51 R52 G56 F57L25-F54 HydrophobicContact CD1-CD1 3.94Å; L25-F54 HydrophobicContact CD1-CE1 3.73Å; L25-F54 HydrophobicContact CG-CE1 4.35Å; L25-F54 VanDerWaalsContact O-CE1 3.31Å; L25-F54 WeakPolarHBondContact O-CE1 3.1Å; F28-F54 HydrophobicContact CB-CD1 3.96Å; F28-F54 HydrophobicContact CB-CE1 4.05Å; F28-F54 VanDerWaalsContact CD1-CA 3.49Å; F28-F54 HydrophobicContact CD1-CB 4.44Å; F28-F54 HydrophobicContact CD1-CD1 4.25Å; F28-F54 VanDerWaalsContact CE1-C 3.49Å; F28-F54 HydrophobicContact CG-CD1 4.34Å; P29-F54 HydrophobicContact CG-CE1 4.31Å; P29-F54 HydrophobicContact CG-CE2 4.03Å; P29-F54 HydrophobicContact CG-CZ 3.76Å; L51-F54 PolarHBondContact O-N 2.66Å; L51-F54 VanDerWaalsContact O-N 3.17Å; R52-F54 PolarHBondContact O-N 2.95Å; F54-G56 PolarHBondContact O-N 3.04Å; F54-F57 WeakPolarHBondContact O-CB 3.23Å; F54-F57 PolarHBondContact O-N 3.29Å; F54-F57 VanDerWaalsContact O-N 3.11Å
55A82.7Confident76.3Confident20 Ų2067.2 Ų67.217%0.16537%0.372CS..THydrogen-bonded Turntrans-65.8119.1-177.800000110.2R52 L53 T118 Q119R52-A55 VanDerWaalsContact O-CB 3.29Å; R52-A55 WeakPolarHBondContact O-CB 3.23Å; R52-A55 PolarHBondContact O-N 3.46Å; L53-A55 VanDerWaalsContact C-N 3.33Å; A55-T118 HydrophobicContact CB-CG2 3.68Å; A55-Q119 VanDerWaalsContact O-CG 3.28Å; A55-Q119 WeakPolarHBondContact O-CG 3.47Å
56G86.9Confident78.2Confident0 Ų064 Ų640%036%0.362CS..THydrogen-bonded Turntrans106.2-15.3-175.600000114.9F54 A59F54-G56 PolarHBondContact O-N 3.04Å; G56-A59 WeakPolarHBondContact O-CB 3.37Å; G56-A59 PolarHBondContact O-N 3.16Å
57F89.6Confident80.2Confident39 Ų3952.9 Ų52.917%0.17132%0.322CS..Hα-helixtrans-54.5-45.1-179.7175.5-96.1000113.2D24 L25 F28 F54 A59 V60 A61D24-F57 HydrophobicContact CB-CE2 4.06Å; L25-F57 HydrophobicContact CB-CE2 4.01Å; L25-F57 HydrophobicContact CB-CZ 4.14Å; L25-F57 HydrophobicContact CD1-CD1 4.44Å; L25-F57 HydrophobicContact CD1-CD2 4.44Å; L25-F57 HydrophobicContact CD1-CE1 4.17Å; L25-F57 HydrophobicContact CD1-CE2 4.16Å; L25-F57 HydrophobicContact CD1-CZ 4.02Å; F28-F57 HydrophobicContact CD1-CB 4.35Å; F28-F57 HydrophobicContact CD2-CB 3.98Å; F28-F57 AromaticContact CD2-CD2 3.62Å; F28-F57 HydrophobicContact CD2-CD2 3.62Å; F28-F57 HydrophobicContact CD2-CG 4.29Å; F28-F57 HydrophobicContact CE1-CB 4.1Å; F28-F57 HydrophobicContact CE2-CB 3.71Å; F28-F57 AromaticContact CE2-CD2 3.95Å; F28-F57 HydrophobicContact CE2-CD2 3.95Å; F28-F57 HydrophobicContact CE2-CG 4.34Å; F28-F57 HydrophobicContact CG-CB 4.27Å; F28-F57 HydrophobicContact CG-CD2 4.23Å; F28-F57 VanDerWaalsContact CZ-CA 3.48Å; F28-F57 HydrophobicContact CZ-CB 3.76Å; F54-F57 WeakPolarHBondContact O-CB 3.23Å; F54-F57 PolarHBondContact O-N 3.29Å; F54-F57 VanDerWaalsContact O-N 3.11Å; F57-A59 PolarHBondContact O-N 2.91Å; F57-A59 VanDerWaalsContact O-N 3.15Å; F57-V60 PolarHBondContact O-N 3.26Å; F57-V60 VanDerWaalsContact O-N 3.15Å; F57-A61 HydrophobicContact CD1-CB 4.39Å; F57-A61 HydrophobicContact CE1-CB 3.99Å; F57-A61 HydrophobicContact CZ-CB 4.19Å; F57-A61 WeakPolarHBondContact O-CB 3.27Å; F57-A61 PolarHBondContact O-N 3.13Å
58P89.1Confident81.8Confident68 Ų6853.3 Ų53.344%0.44233%0.328SS..Hα-helixtrans-57-32.9178.1-27.236.1000114.1I62P58-I62 WeakPolarHBondContact O-CD1 3.49Å; P58-I62 VanDerWaalsContact O-CG1 3.28Å; P58-I62 WeakPolarHBondContact O-CG1 3.15Å; P58-I62 PolarHBondContact O-N 3.32Å
59A89.6Confident83.6Confident12 Ų1250.2 Ų50.210%0.09931%0.311CS..Hα-helixtrans-66.2-40.6-179.600000111.9G56 F57 C111 V114 V126G56-A59 WeakPolarHBondContact O-CB 3.37Å; G56-A59 PolarHBondContact O-N 3.16Å; F57-A59 PolarHBondContact O-N 2.91Å; F57-A59 VanDerWaalsContact O-N 3.15Å; A59-C111 VanDerWaalsContact O-CB 3.28Å; A59-C111 WeakPolarHBondContact O-CB 3.37Å; A59-C111 PolarHBondContact O-SG 3.33Å; A59-V114 HydrophobicContact CB-CB 4.05Å; A59-V114 HydrophobicContact CB-CG1 3.77Å; A59-V126 HydrophobicContact CB-CG1 4.16Å
60V89.1Confident85.3Confident22 Ų2248.7 Ų48.713%0.13329%0.294CS..Hα-helixtrans-78.4-37.9177.3177.50000111.8F57 I62 G63 S64 K115F57-V60 PolarHBondContact O-N 3.26Å; F57-V60 VanDerWaalsContact O-N 3.15Å; V60-I62 VanDerWaalsContact C-N 3.25Å; V60-I62 PolarHBondContact O-N 3.45Å; V60-G63 PolarHBondContact O-N 2.88Å; V60-S64 WeakPolarHBondContact O-CB 3.34Å; V60-S64 PolarHBondContact O-N 3.49Å; V60-K115 HydrophobicContact CG2-CB 3.71Å; V60-K115 HydrophobicContact CG2-CD 3.51Å; V60-K115 HydrophobicContact CG2-CG 3.93Å
61A91Very high86.8Confident30 Ų3046.3 Ų46.325%0.24827%0.272CS..Hα-helixtrans-56.6-41.6178.500000112L21 F57L21-A61 HydrophobicContact CD2-CB 3.9Å; F57-A61 HydrophobicContact CD1-CB 4.39Å; F57-A61 HydrophobicContact CE1-CB 3.99Å; F57-A61 HydrophobicContact CZ-CB 4.19Å; F57-A61 WeakPolarHBondContact O-CB 3.27Å; F57-A61 PolarHBondContact O-N 3.13Å
62I90Very high88Confident132 Ų13245.4 Ų45.468%0.67726%0.262SS*.Hα-helixtrans-67.3-37.1176.8-67.3167.1000111.8P58 V60 P66P58-I62 WeakPolarHBondContact O-CD1 3.49Å; P58-I62 VanDerWaalsContact O-CG1 3.28Å; P58-I62 WeakPolarHBondContact O-CG1 3.15Å; P58-I62 PolarHBondContact O-N 3.32Å; V60-I62 VanDerWaalsContact C-N 3.25Å; V60-I62 PolarHBondContact O-N 3.45Å; I62-P66 WeakPolarHBondContact O-CD 3.29Å
63G88.2Confident88.9Confident6 Ų646.8 Ų46.86%0.06228%0.276CS..Hα-helixtrans-85.1-19.5-175.800000115.3V60 A67V60-G63 PolarHBondContact O-N 2.88Å; G63-A67 WeakPolarHBondContact O-CB 3.42Å; G63-A67 PolarHBondContact O-N 2.9Å
64S88.3Confident89.6Confident40 Ų4045.9 Ų45.928%0.2827%0.272SS..Hα-helixtrans-63.4-56.2-169.1-176.40000112.9V60 A67 A68V60-S64 WeakPolarHBondContact O-CB 3.34Å; V60-S64 PolarHBondContact O-N 3.49Å; S64-A67 PolarHBondContact O-N 3Å; S64-A68 WeakPolarHBondContact O-CB 3.39Å; S64-A68 PolarHBondContact O-N 3.45Å
65A88.8Confident89.9Confident44 Ų4444.8 Ų44.836%0.36427%0.267SS..Hα-helixtrans-65.5-45.1-17900000113.2A67 A68 A69A65-A67 PolarHBondContact O-N 3.46Å; A65-A68 PolarHBondContact O-N 3.01Å; A65-A69 WeakPolarHBondContact O-CB 3.36Å; A65-A69 PolarHBondContact O-N 2.87Å
66P91.7Very high90.2Very high62 Ų6247.8 Ų47.840%0.40328%0.277SS..Hα-helixtrans-62.5-37.9175.4-24.835.7000113.5I62 A69 A70 I107I62-P66 WeakPolarHBondContact O-CD 3.29Å; P66-A69 PolarHBondContact O-N 3.33Å; P66-A70 VanDerWaalsContact O-CB 3.31Å; P66-A70 WeakPolarHBondContact O-CB 3.07Å; P66-A70 PolarHBondContact O-N 3.35Å; P66-I107 HydrophobicContact CB-CD1 4.23Å; P66-I107 HydrophobicContact CB-CG2 4.13Å
67A91.6Very high90.4Very high8 Ų850.7 Ų50.77%0.06630%0.301CS..Hα-helixtrans-67.1-41.6176.500000112G63 S64 A65 A70 F71 I107 R108G63-A67 WeakPolarHBondContact O-CB 3.42Å; G63-A67 PolarHBondContact O-N 2.9Å; S64-A67 PolarHBondContact O-N 3Å; A65-A67 PolarHBondContact O-N 3.46Å; A67-A70 PolarHBondContact O-N 2.88Å; A67-F71 PolarHBondContact O-N 3.27Å; A67-I107 HydrophobicContact CB-CB 4.28Å; A67-I107 HydrophobicContact CB-CG2 4.14Å; A67-R108 HydrophobicContact CB-CB 4Å
68A89.2Confident90.4Very high37 Ų3750 Ų5031%0.30630%0.3SS..Hα-helixtrans-63.9-44.3174.700000111.5S64 A65 A70 F71 F72S64-A68 WeakPolarHBondContact O-CB 3.39Å; S64-A68 PolarHBondContact O-N 3.45Å; A65-A68 PolarHBondContact O-N 3.01Å; A68-A70 PolarHBondContact O-N 3.4Å; A68-F71 WeakPolarHBondContact O-CB 3.38Å; A68-F71 PolarHBondContact O-N 2.94Å; A68-F72 WeakPolarHBondContact O-CD2 3.47Å; A68-F72 PolarHBondContact O-N 3.32Å
69A90.5Very high90.3Very high36 Ų3649.5 Ų49.530%0.29829%0.291SS..Hα-helixtrans-60.2-46.1175.800000111.4A65 P66 F71 F72 L73A65-A69 WeakPolarHBondContact O-CB 3.36Å; A65-A69 PolarHBondContact O-N 2.87Å; P66-A69 PolarHBondContact O-N 3.33Å; A69-F71 VanDerWaalsContact C-N 3.31Å; A69-F71 PolarHBondContact O-N 3.43Å; A69-F72 PolarHBondContact O-N 3.12Å; A69-L73 VanDerWaalsContact O-CB 3.28Å; A69-L73 WeakPolarHBondContact O-CB 3.36Å; A69-L73 WeakPolarHBondContact O-CG 3.4Å; A69-L73 PolarHBondContact O-N 2.89Å
70A93.6Very high90.1Very high17 Ų1752.5 Ų52.514%0.1431%0.306CS..Hα-helixtrans-60-40.7176.500000112.2P66 A67 A68 T74 V103 I107P66-A70 VanDerWaalsContact O-CB 3.31Å; P66-A70 WeakPolarHBondContact O-CB 3.07Å; P66-A70 PolarHBondContact O-N 3.35Å; A67-A70 PolarHBondContact O-N 2.88Å; A68-A70 PolarHBondContact O-N 3.4Å; A70-T74 WeakPolarHBondContact O-CB 3.47Å; A70-T74 PolarHBondContact O-N 2.95Å; A70-T74 VanDerWaalsContact O-N 3.09Å; A70-T74 PolarHBondContact O-OG1 2.94Å; A70-V103 HydrophobicContact CB-CG1 4.31Å; A70-I107 HydrophobicContact CB-CD1 3.85Å
71F93Very high90Very high40 Ų4055.1 Ų55.118%0.17533%0.329CS..Hα-helixtrans-59-58173.5-179.7-89.7000111.2A67 A68 A69 L73 T74 Y75 A100 E101 A104A67-F71 PolarHBondContact O-N 3.27Å; A68-F71 WeakPolarHBondContact O-CB 3.38Å; A68-F71 PolarHBondContact O-N 2.94Å; A69-F71 VanDerWaalsContact C-N 3.31Å; A69-F71 PolarHBondContact O-N 3.43Å; F71-L73 PolarHBondContact O-N 3.1Å; F71-T74 PolarHBondContact O-N 3.28Å; F71-Y75 VanDerWaalsContact O-CB 3.3Å; F71-Y75 WeakPolarHBondContact O-CB 3.44Å; F71-Y75 PolarHBondContact O-N 2.98Å; F71-A100 HydrophobicContact CD2-CB 3.64Å; F71-A100 HydrophobicContact CE2-CB 3.72Å; F71-A100 HydrophobicContact CG-CB 4.12Å; F71-A100 HydrophobicContact CZ-CB 4.25Å; F71-A100 WeakPolarHBondContact O-CB 3.29Å; F71-E101 HydrophobicContact CE2-CB 4.48Å; F71-A104 HydrophobicContact CB-CB 3.85Å; F71-A104 HydrophobicContact CD2-CB 4.37Å
72F89.5Confident89.7Confident130 Ų13054.5 Ų54.557%0.5732%0.323SS*.Hα-helixtrans-66-41.1-173.9-74.2-66.7000112.9A68 A69 T74 Y75 E76A68-F72 WeakPolarHBondContact O-CD2 3.47Å; A68-F72 PolarHBondContact O-N 3.32Å; A69-F72 PolarHBondContact O-N 3.12Å; F72-T74 VanDerWaalsContact C-N 3.33Å; F72-T74 PolarHBondContact O-N 3.31Å; F72-Y75 PolarHBondContact O-N 2.67Å; F72-E76 PolarHBondContact O-N 3.5Å
73L92.1Very high89.1Confident130 Ų13055.3 Ų55.368%0.68132%0.318SS*.Hα-helixtrans-61.8-43.3176.4-71172.6000111.4A69 F71 A77A69-L73 VanDerWaalsContact O-CB 3.28Å; A69-L73 WeakPolarHBondContact O-CB 3.36Å; A69-L73 WeakPolarHBondContact O-CG 3.4Å; A69-L73 PolarHBondContact O-N 2.89Å; F71-L73 PolarHBondContact O-N 3.1Å; L73-A77 VanDerWaalsContact O-CB 3.25Å; L73-A77 WeakPolarHBondContact O-CB 3.37Å; L73-A77 PolarHBondContact O-N 3.32Å
74T93.2Very high88.5Confident25 Ų2562.1 Ų62.115%0.15335%0.352CS..Hα-helixtrans-68.9-41.8177.7-54.70000111A70 F71 F72 E76 A77 V78 I99 A100 V103A70-T74 WeakPolarHBondContact O-CB 3.47Å; A70-T74 PolarHBondContact O-N 2.95Å; A70-T74 VanDerWaalsContact O-N 3.09Å; A70-T74 PolarHBondContact O-OG1 2.94Å; F71-T74 PolarHBondContact O-N 3.28Å; F72-T74 VanDerWaalsContact C-N 3.33Å; F72-T74 PolarHBondContact O-N 3.31Å; T74-E76 PolarHBondContact O-N 3.45Å; T74-A77 PolarHBondContact O-N 3.36Å; T74-V78 HydrophobicContact CG2-CG2 4.02Å; T74-V78 WeakPolarHBondContact O-CB 3.35Å; T74-V78 WeakPolarHBondContact O-CG2 3.43Å; T74-V78 PolarHBondContact O-N 2.9Å; T74-I99 HydrophobicContact CG2-CG2 3.88Å; T74-A100 HydrophobicContact CG2-CB 4.24Å; T74-V103 HydrophobicContact CG2-CB 4.2Å; T74-V103 HydrophobicContact CG2-CG2 3.82Å; T74-V103 WeakPolarHBondContact OG1-CG1 3.48Å
75Y90.2Very high87.9Confident42 Ų4265.1 Ų65.117%0.16537%0.365CS..Hα-helixtrans-59-49.4179176.2-92.9000111.4F71 F72 K79 A97F71-Y75 VanDerWaalsContact O-CB 3.3Å; F71-Y75 WeakPolarHBondContact O-CB 3.44Å; F71-Y75 PolarHBondContact O-N 2.98Å; F72-Y75 PolarHBondContact O-N 2.67Å; Y75-K79 HydrophobicContact CE1-CD 3.76Å; Y75-K79 WeakPolarHBondContact O-CB 3.27Å; Y75-K79 PolarHBondContact O-N 3.36Å; Y75-A97 HydrophobicContact CD2-CB 4.4Å; Y75-A97 HydrophobicContact CE2-CB 4.37Å
76E89.1Confident86.6Confident84 Ų8469.3 Ų69.339%0.39339%0.391SS..Hα-helixtrans-66.7-44.6178.6-68.4-57.614400111.7F72 T74 V78 K79 D80F72-E76 PolarHBondContact O-N 3.5Å; T74-E76 PolarHBondContact O-N 3.45Å; E76-V78 VanDerWaalsContact C-N 3.35Å; E76-V78 PolarHBondContact O-N 3.47Å; E76-K79 PolarHBondContact O-N 3.42Å; E76-D80 WeakPolarHBondContact O-CB 3.47Å; E76-D80 VanDerWaalsContact O-CG 3.23Å; E76-D80 PolarHBondContact O-N 2.66Å
77A90.6Very high85.3Confident61 Ų6169.5 Ų69.550%0.50439%0.392SS..Hα-helixtrans-60.3-42.7178.900000112.8L73 T74 A81L73-A77 VanDerWaalsContact O-CB 3.25Å; L73-A77 WeakPolarHBondContact O-CB 3.37Å; L73-A77 PolarHBondContact O-N 3.32Å; T74-A77 PolarHBondContact O-N 3.36Å; A77-A81 WeakPolarHBondContact O-CB 3.46Å; A77-A81 PolarHBondContact O-N 2.8Å
78V89.7Confident84.4Confident24 Ų2476.4 Ų76.415%0.14542%0.422CS..Hα-helixtrans-71.8-41.8178.2177.70000110.6T74 E76 D80 A81 C82 S96 I99T74-V78 HydrophobicContact CG2-CG2 4.02Å; T74-V78 WeakPolarHBondContact O-CB 3.35Å; T74-V78 WeakPolarHBondContact O-CG2 3.43Å; T74-V78 PolarHBondContact O-N 2.9Å; E76-V78 VanDerWaalsContact C-N 3.35Å; E76-V78 PolarHBondContact O-N 3.47Å; V78-D80 VanDerWaalsContact C-N 3.3Å; V78-D80 PolarHBondContact O-N 3.06Å; V78-A81 PolarHBondContact O-N 3.09Å; V78-C82 VanDerWaalsContact O-CB 3.3Å; V78-C82 WeakPolarHBondContact O-CB 3.17Å; V78-C82 PolarHBondContact O-N 3.15Å; V78-C82 PolarHBondContact O-SG 3.49Å; V78-C82 VanDerWaalsContact O-SG 3.34Å; V78-S96 WeakPolarHBondContact CG1-OG 3.48Å; V78-I99 HydrophobicContact CG1-CD1 3.94Å; V78-I99 HydrophobicContact CG2-CB 4.25Å; V78-I99 HydrophobicContact CG2-CD1 4.48Å; V78-I99 HydrophobicContact CG2-CG2 3.82Å
79K86.8Confident83.4Confident58 Ų5879.5 Ų79.525%0.25244%0.439SS..Hα-helixtrans-59.9-43.8177.2-176.8177.5-176.5177.70111.1Y75 E76 C82 R83 S96Y75-K79 HydrophobicContact CE1-CD 3.76Å; Y75-K79 WeakPolarHBondContact O-CB 3.27Å; Y75-K79 PolarHBondContact O-N 3.36Å; E76-K79 PolarHBondContact O-N 3.42Å; K79-C82 PolarHBondContact O-N 3.4Å; K79-R83 WeakPolarHBondContact O-CG 3.37Å; K79-R83 PolarHBondContact O-N 3.35Å; K79-R83 VanDerWaalsContact O-N 3.08Å; K79-S96 WeakPolarHBondContact CA-OG 3.24Å; K79-S96 PolarHBondContact N-OG 3.06Å
80D86.9Confident82.5Confident75 Ų7584.1 Ų84.140%0.40146%0.457SS..Hα-helixtrans-63.3-46.4176.8-73.4-11.9000111.5E76 V78 C82 R83E76-D80 WeakPolarHBondContact O-CB 3.47Å; E76-D80 VanDerWaalsContact O-CG 3.23Å; E76-D80 PolarHBondContact O-N 2.66Å; V78-D80 VanDerWaalsContact C-N 3.3Å; V78-D80 PolarHBondContact O-N 3.06Å; D80-C82 VanDerWaalsContact C-N 3.26Å; D80-C82 PolarHBondContact O-N 3.2Å; D80-R83 WeakPolarHBondContact O-CB 3.21Å; D80-R83 PolarHBondContact O-N 2.9Å; D80-R83 IonicContact OD1-CZ 2.99Å; D80-R83 IonicContact OD1-NE 3.54Å; D80-R83 IonicContact OD1-NH1 3.68Å; D80-R83 PolarHBondContact OD1-NH1 3.35Å; D80-R83 IonicContact OD1-NH2 2.64Å; D80-R83 PolarHBondContact OD1-NH2 3.24Å
81A86.8Confident81.6Confident76 Ų7685.9 Ų85.963%0.62847%0.469SS*.Hα-helixtrans-64.5-30.2177.100000113.2A77 V78A77-A81 WeakPolarHBondContact O-CB 3.46Å; A77-A81 PolarHBondContact O-N 2.8Å; V78-A81 PolarHBondContact O-N 3.09Å
82C83.4Confident81.1Confident18 Ų1884.9 Ų84.912%0.12246%0.464CS..Hα-helixtrans-86.7-11.3179.3-720000113.8V78 K79 D80 D84 L85 H92V78-C82 VanDerWaalsContact O-CB 3.3Å; V78-C82 WeakPolarHBondContact O-CB 3.17Å; V78-C82 PolarHBondContact O-N 3.15Å; V78-C82 PolarHBondContact O-SG 3.49Å; V78-C82 VanDerWaalsContact O-SG 3.34Å; K79-C82 PolarHBondContact O-N 3.4Å; D80-C82 VanDerWaalsContact C-N 3.26Å; D80-C82 PolarHBondContact O-N 3.2Å; C82-D84 PolarHBondContact O-N 2.96Å; C82-L85 PolarHBondContact O-N 3.45Å; C82-L85 VanDerWaalsContact O-N 3.14Å; C82-H92 HydrophobicContact CB-CB 4.23Å; C82-H92 PolarHBondContact O-CE1 3.46Å; C82-H92 PolarHBondContact O-NE2 3.34Å; C82-H92 VanDerWaalsContact O-NE2 3.09Å
83R78.4Confident80.8Confident149 Ų14980.7 Ų80.756%0.56245%0.452SS*.THydrogen-bonded Turntrans-58.3-34.5179.4-85.2174.8-174.3149.816113K79 D80 L85K79-R83 WeakPolarHBondContact O-CG 3.37Å; K79-R83 PolarHBondContact O-N 3.35Å; K79-R83 VanDerWaalsContact O-N 3.08Å; D80-R83 WeakPolarHBondContact O-CB 3.21Å; D80-R83 PolarHBondContact O-N 2.9Å; D80-R83 IonicContact OD1-CZ 2.99Å; D80-R83 IonicContact OD1-NE 3.54Å; D80-R83 IonicContact OD1-NH1 3.68Å; D80-R83 PolarHBondContact OD1-NH1 3.35Å; D80-R83 IonicContact OD1-NH2 2.64Å; D80-R83 PolarHBondContact OD1-NH2 3.24Å; R83-L85 VanDerWaalsContact C-N 3.32Å
84D75.1Confident80.4Confident148 Ų14877.5 Ų77.579%0.79144%0.437SS*.THydrogen-bonded Turntrans-77.9-18.4-177.6-64.6-24.3000113C82 S86C82-D84 PolarHBondContact O-N 2.96Å; D84-S86 PolarHBondContact O-N 3.3Å
85L75.1Confident80.1Confident104 Ų10480.4 Ų80.455%0.54545%0.451SS..SBendtrans-79.4116.3177.2-173.765.9000108.1C82 R83 T87 H92C82-L85 PolarHBondContact O-N 3.45Å; C82-L85 VanDerWaalsContact O-N 3.14Å; R83-L85 VanDerWaalsContact C-N 3.32Å; L85-T87 HydrophobicContact CG-CG2 4.32Å; L85-T87 PolarHBondContact O-N 3.44Å; L85-H92 PolarHBondContact O-CE1 3.12Å; L85-H92 VanDerWaalsContact O-CE1 3.3Å; L85-H92 PolarHBondContact O-NE2 3.01Å
86S62.6Low80Confident131 Ų13178.4 Ų78.492%0.91644%0.443SS*.  trans-68.933.9-171.7-440000116.1D84D84-S86 PolarHBondContact O-N 3.3Å
87T64.7Low80Confident67 Ų6775.8 Ų75.841%0.41144%0.436SS..SBendtrans-93.4162.1175.558.90000112.4L85 S91 H92L85-T87 HydrophobicContact CG-CG2 4.32Å; L85-T87 PolarHBondContact O-N 3.44Å; T87-S91 PolarHBondContact OG1-OG 2.85Å; T87-H92 PolarHBondContact O-CD2 3.3Å; T87-H92 PolarHBondContact O-NE2 3.43Å; T87-H92 PolarHBondContact OG1-CE1 3.19Å; T87-H92 PolarHBondContact OG1-ND1 2.88Å; T87-H92 PolarHBondContact OG1-NE2 3.46Å
88H72Confident80Confident153 Ų15374.6 Ų74.671%0.70842%0.424SS*.  trans-53.6136.8-175.1-68.4-69.7000112.6I90 S91H88-I90 PolarHBondContact O-N 3.45Å; H88-S91 WeakPolarHBondContact O-CB 3.42Å; H88-S91 PolarHBondContact O-N 3.27Å; H88-S91 PolarHBondContact O-OG 2.92Å
89P68.7Low80.1Confident101 Ų10176.5 Ų76.566%0.65643%0.432SS*.Hα-helixtrans-52.9-31.6-176.5-29.334.3000115.7S93P89-S93 PolarHBondContact O-N 3.23Å; P89-S93 PolarHBondContact O-OG 3.02Å
90I70.3Confident80.4Confident134 Ų13473.7 Ų73.769%0.68742%0.42SS*.Hα-helixtrans-67.5-39.6178-59.7174000110.7H88 H92 S93 V94H88-I90 PolarHBondContact O-N 3.45Å; I90-H92 PolarHBondContact O-N 3.1Å; I90-S93 PolarHBondContact O-N 3.37Å; I90-V94 HydrophobicContact CG2-CG2 4.39Å; I90-V94 WeakPolarHBondContact O-CG2 3.23Å; I90-V94 PolarHBondContact O-N 3.35Å
91S76Confident80.6Confident54 Ų5471.2 Ų71.238%0.37841%0.407SS..Hα-helixtrans-63-42.9-178.967.20000112T87 H88 V94 L95T87-S91 PolarHBondContact OG1-OG 2.85Å; H88-S91 WeakPolarHBondContact O-CB 3.42Å; H88-S91 PolarHBondContact O-N 3.27Å; H88-S91 PolarHBondContact O-OG 2.92Å; S91-V94 PolarHBondContact O-N 3.16Å; S91-L95 WeakPolarHBondContact O-CB 3.48Å; S91-L95 PolarHBondContact O-N 3.16Å
92H81.6Confident80.9Confident18 Ų1871 Ų718%0.08339%0.394CS..Hα-helixtrans-63.9-42.1176.3-65.6-42.8000112.6C82 L85 T87 I90 L95 S96C82-H92 HydrophobicContact CB-CB 4.23Å; C82-H92 PolarHBondContact O-CE1 3.46Å; C82-H92 PolarHBondContact O-NE2 3.34Å; C82-H92 VanDerWaalsContact O-NE2 3.09Å; L85-H92 PolarHBondContact O-CE1 3.12Å; L85-H92 VanDerWaalsContact O-CE1 3.3Å; L85-H92 PolarHBondContact O-NE2 3.01Å; T87-H92 PolarHBondContact O-CD2 3.3Å; T87-H92 PolarHBondContact O-NE2 3.43Å; T87-H92 PolarHBondContact OG1-CE1 3.19Å; T87-H92 PolarHBondContact OG1-ND1 2.88Å; T87-H92 PolarHBondContact OG1-NE2 3.46Å; I90-H92 PolarHBondContact O-N 3.1Å; H92-L95 PolarHBondContact O-N 2.78Å; H92-S96 VanDerWaalsContact O-CB 3.27Å; H92-S96 WeakPolarHBondContact O-CB 3.39Å; H92-S96 PolarHBondContact O-N 3.45Å; H92-S96 PolarHBondContact O-OG 2.97Å
93S82.6Confident81.5Confident43 Ų4372.5 Ų72.530%0.30140%0.403SS..Hα-helixtrans-65.4-41.8-179.2-59.90000111.6P89 I90 A97P89-S93 PolarHBondContact O-N 3.23Å; P89-S93 PolarHBondContact O-OG 3.02Å; I90-S93 PolarHBondContact O-N 3.37Å; S93-A97 WeakPolarHBondContact O-CB 3.36Å; S93-A97 PolarHBondContact O-N 3.18Å
94V84.6Confident82.2Confident63 Ų6365.5 Ų65.538%0.38238%0.376SS..Hα-helixtrans-67.3-46.2176.6174.20000110.9I90 S91 S96 A97 C98 L158I90-V94 HydrophobicContact CG2-CG2 4.39Å; I90-V94 WeakPolarHBondContact O-CG2 3.23Å; I90-V94 PolarHBondContact O-N 3.35Å; S91-V94 PolarHBondContact O-N 3.16Å; V94-S96 PolarHBondContact O-N 3.19Å; V94-A97 PolarHBondContact O-N 3.33Å; V94-C98 PolarHBondContact O-N 3.4Å; V94-C98 PolarHBondContact O-SG 3.14Å; V94-C98 VanDerWaalsContact O-SG 3.37Å; V94-L158 HydrophobicContact CG1-CD2 4.14Å
95L86.6Confident83.1Confident85 Ų8558.4 Ų58.445%0.44534%0.339SS..Hα-helixtrans-60.7-45.2177.9-18061.4000111.8S91 H92 A97 C98 I99S91-L95 WeakPolarHBondContact O-CB 3.48Å; S91-L95 PolarHBondContact O-N 3.16Å; H92-L95 PolarHBondContact O-N 2.78Å; L95-A97 VanDerWaalsContact C-N 3.33Å; L95-A97 PolarHBondContact O-N 2.74Å; L95-C98 PolarHBondContact O-N 3.48Å; L95-I99 HydrophobicContact CD1-CD1 4.02Å; L95-I99 HydrophobicContact CD1-CG1 4.42Å; L95-I99 HydrophobicContact CG-CD1 4.08Å; L95-I99 WeakPolarHBondContact O-CG1 3.35Å; L95-I99 PolarHBondContact O-N 3.19Å
96S88.7Confident84.1Confident0 Ų057.3 Ų57.30%033%0.332CS..Hα-helixtrans-60.7-43177-55.50000111.4V78 K79 H92 V94 I99 A100V78-S96 WeakPolarHBondContact CG1-OG 3.48Å; K79-S96 WeakPolarHBondContact CA-OG 3.24Å; K79-S96 PolarHBondContact N-OG 3.06Å; H92-S96 VanDerWaalsContact O-CB 3.27Å; H92-S96 WeakPolarHBondContact O-CB 3.39Å; H92-S96 PolarHBondContact O-N 3.45Å; H92-S96 PolarHBondContact O-OG 2.97Å; V94-S96 PolarHBondContact O-N 3.19Å; S96-I99 PolarHBondContact O-N 3.27Å; S96-A100 WeakPolarHBondContact O-CB 3.35Å; S96-A100 PolarHBondContact O-N 3.25Å
97A88.5Confident85.6Confident30 Ų3054 Ų5425%0.24830%0.304CS..Hα-helixtrans-63.3-41.717600000112.2Y75 S93 V94 L95 A100 E101Y75-A97 HydrophobicContact CD2-CB 4.4Å; Y75-A97 HydrophobicContact CE2-CB 4.37Å; S93-A97 WeakPolarHBondContact O-CB 3.36Å; S93-A97 PolarHBondContact O-N 3.18Å; V94-A97 PolarHBondContact O-N 3.33Å; L95-A97 VanDerWaalsContact C-N 3.33Å; L95-A97 PolarHBondContact O-N 2.74Å; A97-A100 PolarHBondContact O-N 3.32Å; A97-E101 VanDerWaalsContact O-CB 3.3Å; A97-E101 WeakPolarHBondContact O-CB 3.49Å; A97-E101 PolarHBondContact O-N 3.03Å
98C90Very high86.9Confident36 Ų3653 Ų5324%0.24329%0.292CS..Hα-helixtrans-63.5-44.5176.9-70.60000112.4V94 L95 E101 I102V94-C98 PolarHBondContact O-N 3.4Å; V94-C98 PolarHBondContact O-SG 3.14Å; V94-C98 VanDerWaalsContact O-SG 3.37Å; L95-C98 PolarHBondContact O-N 3.48Å; C98-E101 PolarHBondContact O-N 3.15Å; C98-I102 VanDerWaalsContact O-CG1 3.3Å; C98-I102 WeakPolarHBondContact O-CG1 3.3Å; C98-I102 PolarHBondContact O-N 3.21Å; C98-I102 VanDerWaalsContact O-N 3.09Å
99I91.9Very high87.9Confident63 Ų6345.7 Ų45.732%0.32326%0.259SS..Hα-helixtrans-67.3-42.6178.7-65.4170.1000110.4T74 V78 L95 S96 E101 I102 V103T74-I99 HydrophobicContact CG2-CG2 3.88Å; V78-I99 HydrophobicContact CG1-CD1 3.94Å; V78-I99 HydrophobicContact CG2-CB 4.25Å; V78-I99 HydrophobicContact CG2-CD1 4.48Å; V78-I99 HydrophobicContact CG2-CG2 3.82Å; L95-I99 HydrophobicContact CD1-CD1 4.02Å; L95-I99 HydrophobicContact CD1-CG1 4.42Å; L95-I99 HydrophobicContact CG-CD1 4.08Å; L95-I99 WeakPolarHBondContact O-CG1 3.35Å; L95-I99 PolarHBondContact O-N 3.19Å; S96-I99 PolarHBondContact O-N 3.27Å; I99-E101 VanDerWaalsContact C-N 3.3Å; I99-E101 PolarHBondContact O-N 3.39Å; I99-I102 WeakPolarHBondContact O-CB 3.19Å; I99-I102 PolarHBondContact O-N 3.06Å; I99-V103 PolarHBondContact O-N 3.36Å
100A92.8Very high89.2Confident0 Ų042.1 Ų42.10%024%0.235CC..Hα-helixtrans-58.7-41.1174.400000112.6F71 T74 S96 A97 V103 A104F71-A100 HydrophobicContact CD2-CB 3.64Å; F71-A100 HydrophobicContact CE2-CB 3.72Å; F71-A100 HydrophobicContact CG-CB 4.12Å; F71-A100 HydrophobicContact CZ-CB 4.25Å; F71-A100 WeakPolarHBondContact O-CB 3.29Å; T74-A100 HydrophobicContact CG2-CB 4.24Å; S96-A100 WeakPolarHBondContact O-CB 3.35Å; S96-A100 PolarHBondContact O-N 3.25Å; A97-A100 PolarHBondContact O-N 3.32Å; A100-V103 PolarHBondContact O-N 3.28Å; A100-A104 VanDerWaalsContact O-CB 3.29Å; A100-A104 WeakPolarHBondContact O-CB 3.28Å; A100-A104 PolarHBondContact O-N 3.43Å
101E92Very high90.3Very high23 Ų2336.9 Ų36.911%0.10721%0.21CC..Hα-helixtrans-65.5-39.3178-172.554.1-141.400112.1F71 A97 C98 I99 C105 R108 L150 E153F71-E101 HydrophobicContact CE2-CB 4.48Å; A97-E101 VanDerWaalsContact O-CB 3.3Å; A97-E101 WeakPolarHBondContact O-CB 3.49Å; A97-E101 PolarHBondContact O-N 3.03Å; C98-E101 PolarHBondContact O-N 3.15Å; I99-E101 VanDerWaalsContact C-N 3.3Å; I99-E101 PolarHBondContact O-N 3.39Å; E101-C105 WeakPolarHBondContact O-CB 3.4Å; E101-C105 PolarHBondContact O-N 3.39Å; E101-C105 PolarHBondContact O-SG 3.16Å; E101-C105 PolarHBondContact OE1-SG 3.47Å; E101-R108 IonicContact OE1-CZ 2.98Å; E101-R108 IonicContact OE1-NH1 2.79Å; E101-R108 PolarHBondContact OE1-NH1 3.09Å; E101-R108 IonicContact OE1-NH2 3.14Å; E101-R108 PolarHBondContact OE1-NH2 3.29Å; E101-R108 IonicContact OE2-NH2 3.16Å; E101-L150 HydrophobicContact CG-CD2 4.32Å; E101-E153 HydrophobicContact CG-CB 3.88Å; E101-E153 HydrophobicContact CG-CG 4.49Å; E101-E153 VanDerWaalsContact OE1-CG 3.29Å; E101-E153 WeakPolarHBondContact OE1-CG 3.41Å
102I94.2Very high91.1Very high71 Ų7135.5 Ų35.536%0.36420%0.198SC..Hα-helixtrans-59.8-50.6173.5-68.4166.9000110.2C98 I99 A104 C105 Y146 L150C98-I102 VanDerWaalsContact O-CG1 3.3Å; C98-I102 WeakPolarHBondContact O-CG1 3.3Å; C98-I102 PolarHBondContact O-N 3.21Å; C98-I102 VanDerWaalsContact O-N 3.09Å; I99-I102 WeakPolarHBondContact O-CB 3.19Å; I99-I102 PolarHBondContact O-N 3.06Å; I102-A104 PolarHBondContact O-N 3.44Å; I102-C105 WeakPolarHBondContact O-CB 3.37Å; I102-C105 PolarHBondContact O-N 3.15Å; I102-Y146 WeakPolarHBondContact CG2-OH 3.48Å; I102-Y146 PolarHBondContact O-OH 3.18Å; I102-L150 HydrophobicContact CG1-CD1 4.17Å; I102-L150 HydrophobicContact CG1-CD2 3.93Å
103V94.6Very high91.7Very high50 Ų5034.6 Ų34.630%0.30319%0.194SC..Hα-helixtrans-64.8-43.6-179.1177.60000111.4A70 T74 I99 A100 C105 I106A70-V103 HydrophobicContact CB-CG1 4.31Å; T74-V103 HydrophobicContact CG2-CB 4.2Å; T74-V103 HydrophobicContact CG2-CG2 3.82Å; T74-V103 WeakPolarHBondContact OG1-CG1 3.48Å; I99-V103 PolarHBondContact O-N 3.36Å; A100-V103 PolarHBondContact O-N 3.28Å; V103-C105 VanDerWaalsContact C-N 3.27Å; V103-C105 PolarHBondContact O-N 2.9Å; V103-I106 WeakPolarHBondContact O-CB 3.47Å; V103-I106 PolarHBondContact O-N 3.48Å; V103-I106 VanDerWaalsContact O-N 3.1Å
104A93.9Very high92.3Very high1 Ų132.9 Ų32.91%0.00818%0.181CC..Hα-helixtrans-62.7-33.1178.100000112.8F71 A100 I102 I106 I107 R108F71-A104 HydrophobicContact CB-CB 3.85Å; F71-A104 HydrophobicContact CD2-CB 4.37Å; A100-A104 VanDerWaalsContact O-CB 3.29Å; A100-A104 WeakPolarHBondContact O-CB 3.28Å; A100-A104 PolarHBondContact O-N 3.43Å; I102-A104 PolarHBondContact O-N 3.44Å; A104-I106 PolarHBondContact O-N 2.83Å; A104-I107 PolarHBondContact O-N 3.19Å; A104-R108 WeakPolarHBondContact O-CB 3.26Å; A104-R108 PolarHBondContact O-N 3.2Å
105C93.9Very high92.7Very high0 Ų030.5 Ų30.50%017%0.166CC..Hα-helixtrans-63.3-27176-78.20000112.8E101 I102 V103 I107 R108 V109 Y146 L150E101-C105 WeakPolarHBondContact O-CB 3.4Å; E101-C105 PolarHBondContact O-N 3.39Å; E101-C105 PolarHBondContact O-SG 3.16Å; E101-C105 PolarHBondContact OE1-SG 3.47Å; I102-C105 WeakPolarHBondContact O-CB 3.37Å; I102-C105 PolarHBondContact O-N 3.15Å; V103-C105 VanDerWaalsContact C-N 3.27Å; V103-C105 PolarHBondContact O-N 2.9Å; C105-I107 PolarHBondContact O-N 2.88Å; C105-R108 PolarHBondContact O-N 3.04Å; C105-R108 PolarHBondContact SG-NH1 2.87Å; C105-R108 PolarHBondContact SG-NH2 2.9Å; C105-V109 HydrophobicContact CB-CG2 3.95Å; C105-V109 WeakPolarHBondContact O-CB 3.48Å; C105-V109 WeakPolarHBondContact O-CG2 3.33Å; C105-V109 PolarHBondContact O-N 2.99Å; C105-Y146 HydrophobicContact CB-CD2 4.05Å; C105-Y146 HydrophobicContact CB-CE2 3.45Å; C105-Y146 VanDerWaalsContact CB-CE2 3.45Å; C105-L150 HydrophobicContact CB-CD2 4.17Å; C105-L150 WeakPolarHBondContact SG-CD2 3.39Å
106I95Very high93Very high80 Ų8026.7 Ų26.741%0.4115%0.146SC..Hα-helixtrans-60.7-36.3179.9-62.3173.1000111V103 A104 P110 Y143 Y146V103-I106 WeakPolarHBondContact O-CB 3.47Å; V103-I106 PolarHBondContact O-N 3.48Å; V103-I106 VanDerWaalsContact O-N 3.1Å; A104-I106 PolarHBondContact O-N 2.83Å; I106-P110 WeakPolarHBondContact O-CD 3.49Å; I106-Y143 PolarHBondContact O-OH 2.99Å; I106-Y146 HydrophobicContact CG1-CE2 4.17Å
107I94Very high93.1Very high62 Ų6227.5 Ų27.532%0.31815%0.149SC..Hα-helixtrans-88-45.4178.6-61.1175.8000110.7P66 A67 A70 A104 C105 P110P66-I107 HydrophobicContact CB-CD1 4.23Å; P66-I107 HydrophobicContact CB-CG2 4.13Å; A67-I107 HydrophobicContact CB-CB 4.28Å; A67-I107 HydrophobicContact CB-CG2 4.14Å; A70-I107 HydrophobicContact CB-CD1 3.85Å; A104-I107 PolarHBondContact O-N 3.19Å; C105-I107 PolarHBondContact O-N 2.88Å; I107-P110 WeakPolarHBondContact O-CD 3.29Å
108R92.5Very high93.2Very high46 Ų4626 Ų2617%0.17414%0.137CC..Hα-helixtrans-70.9-37.6-172.3172.6169.225.292.49113.7A67 E101 A104 C105 C111 E112 E153A67-R108 HydrophobicContact CB-CB 4Å; E101-R108 IonicContact OE1-CZ 2.98Å; E101-R108 IonicContact OE1-NH1 2.79Å; E101-R108 PolarHBondContact OE1-NH1 3.09Å; E101-R108 IonicContact OE1-NH2 3.14Å; E101-R108 PolarHBondContact OE1-NH2 3.29Å; E101-R108 IonicContact OE2-NH2 3.16Å; A104-R108 WeakPolarHBondContact O-CB 3.26Å; A104-R108 PolarHBondContact O-N 3.2Å; C105-R108 PolarHBondContact O-N 3.04Å; C105-R108 PolarHBondContact SG-NH1 2.87Å; C105-R108 PolarHBondContact SG-NH2 2.9Å; R108-C111 WeakPolarHBondContact O-CB 3.16Å; R108-C111 PolarHBondContact O-N 2.97Å; R108-E112 HydrophobicContact CG-CG 3.95Å; R108-E112 WeakPolarHBondContact O-CG 3.41Å; R108-E112 PolarHBondContact O-N 2.68Å; R108-E153 IonicContact NH1-OE1 3.94Å; R108-E153 PolarHBondContact NH1-OE1 3.47Å; R108-E153 VanDerWaalsContact NH1-OE1 3.14Å
109V94Very high93.2Very high0 Ų024.3 Ų24.30%013%0.125CC..Hα-helixtrans-63.2-46.7-1741710000112.5C105 C111 E112 V113 Y146 T149 M223C105-V109 HydrophobicContact CB-CG2 3.95Å; C105-V109 WeakPolarHBondContact O-CB 3.48Å; C105-V109 WeakPolarHBondContact O-CG2 3.33Å; C105-V109 PolarHBondContact O-N 2.99Å; V109-C111 VanDerWaalsContact C-N 3.3Å; V109-C111 PolarHBondContact O-N 3.24Å; V109-E112 PolarHBondContact O-N 3.34Å; V109-E112 VanDerWaalsContact O-N 3.16Å; V109-V113 HydrophobicContact CG1-CG2 4.26Å; V109-V113 WeakPolarHBondContact O-CG2 3.5Å; V109-V113 PolarHBondContact O-N 3.47Å; V109-Y146 HydrophobicContact CB-CD2 4.18Å; V109-Y146 HydrophobicContact CG1-CD2 4.44Å; V109-Y146 HydrophobicContact CG2-CD2 3.85Å; V109-T149 HydrophobicContact CG2-CG2 4.05Å; V109-M223 HydrophobicContact CG1-CE 4.24Å
110P94.7Very high93Very high26 Ų2623.6 Ų23.617%0.16912%0.122CC..Hα-helixtrans-53.3-44.6172.9-30.536.9000113.9I106 I107 V113 V114 F142 Y143I106-P110 WeakPolarHBondContact O-CD 3.49Å; I107-P110 WeakPolarHBondContact O-CD 3.29Å; P110-V113 PolarHBondContact O-N 3.33Å; P110-V114 WeakPolarHBondContact O-CG2 3.12Å; P110-V114 PolarHBondContact O-N 3.4Å; P110-V114 VanDerWaalsContact O-N 3.13Å; P110-F142 WeakPolarHBondContact CA-O 3.28Å; P110-F142 HydrophobicContact CB-CB 4.03Å; P110-F142 HydrophobicContact CG-CB 4.32Å; P110-Y143 HydrophobicContact CG-CD1 4.41Å; P110-Y143 HydrophobicContact CG-CE1 3.82Å; P110-Y143 HydrophobicContact CG-CE2 4.32Å
111C94.2Very high92.6Very high24 Ų2427.6 Ų27.616%0.16214%0.141CC..Hα-helixtrans-63.8-43.7177.2-66.70000112A59 R108 V109 V114 K115A59-C111 VanDerWaalsContact O-CB 3.28Å; A59-C111 WeakPolarHBondContact O-CB 3.37Å; A59-C111 PolarHBondContact O-SG 3.33Å; R108-C111 WeakPolarHBondContact O-CB 3.16Å; R108-C111 PolarHBondContact O-N 2.97Å; V109-C111 VanDerWaalsContact C-N 3.3Å; V109-C111 PolarHBondContact O-N 3.24Å; C111-V114 PolarHBondContact O-N 2.89Å; C111-K115 WeakPolarHBondContact O-CB 3.4Å; C111-K115 PolarHBondContact O-N 3.47Å
112E93.5Very high91.5Very high24 Ų2427.9 Ų27.911%0.11214%0.144CC..Hα-helixtrans-63.8-42.4177.1-77.9-68.310900112.3R108 V109 K115 Q116 K219 M223R108-E112 HydrophobicContact CG-CG 3.95Å; R108-E112 WeakPolarHBondContact O-CG 3.41Å; R108-E112 PolarHBondContact O-N 2.68Å; V109-E112 PolarHBondContact O-N 3.34Å; V109-E112 VanDerWaalsContact O-N 3.16Å; E112-K115 VanDerWaalsContact CD-NZ 3.3Å; E112-K115 PolarHBondContact O-N 3.19Å; E112-K115 WeakPolarHBondContact OE1-CE 3.46Å; E112-K115 IonicContact OE1-NZ 3.14Å; E112-K115 PolarHBondContact OE1-NZ 3.1Å; E112-K115 IonicContact OE2-NZ 3.3Å; E112-K115 PolarHBondContact OE2-NZ 3.29Å; E112-K115 VanDerWaalsContact OE2-NZ 3.1Å; E112-Q116 WeakPolarHBondContact O-CB 3.47Å; E112-Q116 WeakPolarHBondContact O-CG 3.43Å; E112-Q116 PolarHBondContact O-N 2.76Å; E112-K219 IonicContact OE2-NZ 3.49Å; E112-M223 HydrophobicContact CB-CE 4.37Å
113V94.2Very high90.6Very high0 Ų030 Ų300%016%0.161CC..Hα-helixtrans-61.7-47.7177.7170.40000110.5V109 P110 K115 Q116 R117 F142 R144 M223V109-V113 HydrophobicContact CG1-CG2 4.26Å; V109-V113 WeakPolarHBondContact O-CG2 3.5Å; V109-V113 PolarHBondContact O-N 3.47Å; P110-V113 PolarHBondContact O-N 3.33Å; V113-K115 PolarHBondContact O-N 3.3Å; V113-Q116 PolarHBondContact O-N 3.22Å; V113-R117 HydrophobicContact CG1-CG 4.42Å; V113-R117 WeakPolarHBondContact O-CB 3.46Å; V113-R117 VanDerWaalsContact O-CG 3.27Å; V113-R117 WeakPolarHBondContact O-CG 2.98Å; V113-R117 PolarHBondContact O-N 3.13Å; V113-F142 WeakPolarHBondContact CG2-O 3.29Å; V113-R144 WeakPolarHBondContact CG2-O 3.42Å; V113-M223 HydrophobicContact CG2-CE 3.98Å; V113-M223 HydrophobicContact CG2-CG 4.11Å; V113-M223 HydrophobicContact CG2-SD 4.21Å
114V93.9Very high90Very high7 Ų730.6 Ų30.64%0.04216%0.16CC..Hα-helixtrans-62.9-43.5177.7175.40000110.8A59 P110 C111 T118 V126 F130 F142A59-V114 HydrophobicContact CB-CB 4.05Å; A59-V114 HydrophobicContact CB-CG1 3.77Å; P110-V114 WeakPolarHBondContact O-CG2 3.12Å; P110-V114 PolarHBondContact O-N 3.4Å; P110-V114 VanDerWaalsContact O-N 3.13Å; C111-V114 PolarHBondContact O-N 2.89Å; V114-T118 WeakPolarHBondContact O-CB 3.27Å; V114-T118 PolarHBondContact O-N 3.47Å; V114-T118 PolarHBondContact O-OG1 3.5Å; V114-V126 HydrophobicContact CG1-CG1 3.73Å; V114-F130 HydrophobicContact CG2-CD2 4.14Å; V114-F142 HydrophobicContact CG2-CD1 3.8Å; V114-F142 HydrophobicContact CG2-CE1 3.6Å
115K93.5Very high89.6Confident13 Ų1332.4 Ų32.46%0.05718%0.179CC..Hα-helixtrans-55.7-58.3175.5-179.7-167.152.2179.40110.8F28 D31 V60 C111 E112 V113 R117 T118 Q119F28-K115 HydrophobicContact CE2-CD 3.9Å; F28-K115 HydrophobicContact CE2-CG 4.3Å; F28-K115 HydrophobicContact CZ-CD 4.01Å; F28-K115 HydrophobicContact CZ-CG 3.94Å; D31-K115 IonicContact OD2-NZ 3.04Å; D31-K115 PolarHBondContact OD2-NZ 3.09Å; V60-K115 HydrophobicContact CG2-CB 3.71Å; V60-K115 HydrophobicContact CG2-CD 3.51Å; V60-K115 HydrophobicContact CG2-CG 3.93Å; C111-K115 WeakPolarHBondContact O-CB 3.4Å; C111-K115 PolarHBondContact O-N 3.47Å; E112-K115 VanDerWaalsContact CD-NZ 3.3Å; E112-K115 PolarHBondContact O-N 3.19Å; E112-K115 WeakPolarHBondContact OE1-CE 3.46Å; E112-K115 IonicContact OE1-NZ 3.14Å; E112-K115 PolarHBondContact OE1-NZ 3.1Å; E112-K115 IonicContact OE2-NZ 3.3Å; E112-K115 PolarHBondContact OE2-NZ 3.29Å; E112-K115 VanDerWaalsContact OE2-NZ 3.1Å; V113-K115 PolarHBondContact O-N 3.3Å; K115-R117 PolarHBondContact O-N 3.03Å; K115-T118 PolarHBondContact O-N 2.92Å; K115-T118 VanDerWaalsContact O-N 3.12Å; K115-Q119 HydrophobicContact CG-CG 4.2Å; K115-Q119 WeakPolarHBondContact O-CG 3.28Å; K115-Q119 PolarHBondContact O-N 2.91Å
116Q92.4Very high89.4Confident5 Ų534.1 Ų34.12%0.02319%0.189CC..Hα-helixtrans-63.5-42-172.5-69.9-171.212.200111.7T35 E112 V113 T118 Q119 N120 M223 L224T35-Q116 HydrophobicContact CG2-CB 4.01Å; T35-Q116 HydrophobicContact CG2-CG 4.06Å; E112-Q116 WeakPolarHBondContact O-CB 3.47Å; E112-Q116 WeakPolarHBondContact O-CG 3.43Å; E112-Q116 PolarHBondContact O-N 2.76Å; V113-Q116 PolarHBondContact O-N 3.22Å; Q116-T118 VanDerWaalsContact C-N 3.32Å; Q116-T118 PolarHBondContact O-N 3.42Å; Q116-Q119 PolarHBondContact O-N 3.36Å; Q116-N120 WeakPolarHBondContact O-CB 3.35Å; Q116-N120 PolarHBondContact O-N 3.05Å; Q116-M223 VanDerWaalsContact CD-SD 3.57Å; Q116-M223 PolarHBondContact OE1-SD 3.49Å; Q116-M223 VanDerWaalsContact OE1-SD 3.36Å; Q116-L224 HydrophobicContact CB-CD2 4.16Å; Q116-L224 WeakPolarHBondContact O-CD2 3.38Å
117R91.7Very high89.2Confident16 Ų1634.2 Ų34.26%0.0620%0.197CC..Hα-helixtrans-60.5-42.3175-71.1178.3-177.6-156.3-0.8111.6V113 K115 N120 Q121 V129 T133 E137 M223 L224V113-R117 HydrophobicContact CG1-CG 4.42Å; V113-R117 WeakPolarHBondContact O-CB 3.46Å; V113-R117 VanDerWaalsContact O-CG 3.27Å; V113-R117 WeakPolarHBondContact O-CG 2.98Å; V113-R117 PolarHBondContact O-N 3.13Å; K115-R117 PolarHBondContact O-N 3.03Å; R117-N120 PolarHBondContact O-N 2.84Å; R117-Q121 WeakPolarHBondContact O-CB 3.28Å; R117-Q121 PolarHBondContact O-N 3.07Å; R117-V129 HydrophobicContact CB-CG1 3.5Å; R117-T133 PolarHBondContact NH1-OG1 3.46Å; R117-E137 IonicContact CZ-OE1 2.76Å; R117-E137 VanDerWaalsContact CZ-OE1 3.3Å; R117-E137 IonicContact CZ-OE2 2.77Å; R117-E137 IonicContact NH1-OE1 3.22Å; R117-E137 PolarHBondContact NH1-OE1 3.25Å; R117-E137 IonicContact NH1-OE2 3.04Å; R117-E137 VanDerWaalsContact NH2-CD 3.32Å; R117-E137 IonicContact NH2-OE1 3.1Å; R117-E137 PolarHBondContact NH2-OE1 2.96Å; R117-E137 IonicContact NH2-OE2 3.33Å; R117-E137 PolarHBondContact NH2-OE2 2.68Å; R117-M223 PolarHBondContact NE-O 3.38Å; R117-L224 HydrophobicContact CG-CD2 4.16Å
118T90.9Very high89.1Confident0 Ų033.9 Ų33.90%020%0.198CC..Hα-helixtrans-67.1-41.3176.6-47.80000111.9A55 V114 K115 Q116 N120 Q121 V126 V129A55-T118 HydrophobicContact CB-CG2 3.68Å; V114-T118 WeakPolarHBondContact O-CB 3.27Å; V114-T118 PolarHBondContact O-N 3.47Å; V114-T118 PolarHBondContact O-OG1 3.5Å; K115-T118 PolarHBondContact O-N 2.92Å; K115-T118 VanDerWaalsContact O-N 3.12Å; Q116-T118 VanDerWaalsContact C-N 3.32Å; Q116-T118 PolarHBondContact O-N 3.42Å; T118-N120 VanDerWaalsContact C-N 3.27Å; T118-N120 PolarHBondContact O-N 3.28Å; T118-Q121 CarbonylContact O-C 3.3Å; T118-Q121 VanDerWaalsContact O-C 3.3Å; T118-Q121 PolarHBondContact O-N 2.84Å; T118-V126 HydrophobicContact CG2-CG2 3.96Å; T118-V129 HydrophobicContact CG2-CG2 4.4Å
119Q89.9Confident89Confident0 Ų031.7 Ų31.70%019%0.19CC..Hα-helixtrans-61.3-36.2175.9-73.9176-33.900112.1F28 D31 T32 T35 R36 A55 K115 Q116F28-Q119 HydrophobicContact CE1-CG 4.35Å; F28-Q119 HydrophobicContact CZ-CG 4.44Å; D31-Q119 PolarHBondContact OD2-NE2 3.37Å; T32-Q119 HydrophobicContact CG2-CB 4.13Å; T32-Q119 HydrophobicContact CG2-CG 4.21Å; T32-Q119 WeakPolarHBondContact OG1-CG 3.43Å; T32-Q119 PolarHBondContact OG1-NE2 2.84Å; T32-Q119 VanDerWaalsContact OG1-NE2 3.14Å; T35-Q119 HydrophobicContact CG2-CB 4.2Å; T35-Q119 PolarHBondContact OG1-OE1 3.14Å; R36-Q119 PolarHBondContact NE-O 2.81Å; R36-Q119 PolarHBondContact NH2-O 2.9Å; A55-Q119 VanDerWaalsContact O-CG 3.28Å; A55-Q119 WeakPolarHBondContact O-CG 3.47Å; K115-Q119 HydrophobicContact CG-CG 4.2Å; K115-Q119 WeakPolarHBondContact O-CG 3.28Å; K115-Q119 PolarHBondContact O-N 2.91Å; Q116-Q119 PolarHBondContact O-N 3.36Å
120N87.7Confident89Confident47 Ų4736.1 Ų36.125%0.25121%0.209SC..Hα-helixtrans-82.7-24.7178.8-165.158000113.5S39 Q116 R117 T118 P122 L224S39-N120 VanDerWaalsContact CB-OD1 3.29Å; S39-N120 WeakPolarHBondContact CB-OD1 3.34Å; S39-N120 PolarHBondContact OG-OD1 2.84Å; Q116-N120 WeakPolarHBondContact O-CB 3.35Å; Q116-N120 PolarHBondContact O-N 3.05Å; R117-N120 PolarHBondContact O-N 2.84Å; T118-N120 VanDerWaalsContact C-N 3.27Å; T118-N120 PolarHBondContact O-N 3.28Å; N120-P122 VanDerWaalsContact C-CD 3.46Å; N120-P122 VanDerWaalsContact O-CD 3.32Å; N120-P122 WeakPolarHBondContact O-CD 3.4Å; N120-L224 HydrophobicContact CB-CD1 4Å; N120-L224 HydrophobicContact CB-CD2 3.63Å; N120-L224 HydrophobicContact CB-CG 4.46Å
121Q82.7Confident89.1Confident85 Ų8540 Ų4040%0.39723%0.228SC..  trans-119.570178.6-62.5-178.2-52.800111.4R117 T118 V123 H124R117-Q121 WeakPolarHBondContact O-CB 3.28Å; R117-Q121 PolarHBondContact O-N 3.07Å; T118-Q121 CarbonylContact O-C 3.3Å; T118-Q121 VanDerWaalsContact O-C 3.3Å; T118-Q121 PolarHBondContact O-N 2.84Å; Q121-V123 PolarHBondContact O-N 3.49Å; Q121-H124 PolarHBondContact O-N 2.96Å
122P70Confident89Confident28 Ų2841.1 Ų41.118%0.18223%0.231CC..THydrogen-bonded Turntrans-70-2.4-171.230.2-38000115T47 R52 N120 H124T47-P122 HydrophobicContact CG2-CB 3.54Å; T47-P122 HydrophobicContact CG2-CG 3.49Å; T47-P122 VanDerWaalsContact CG2-CG 3.49Å; R52-P122 HydrophobicContact CB-CB 4.35Å; N120-P122 VanDerWaalsContact C-CD 3.46Å; N120-P122 VanDerWaalsContact O-CD 3.32Å; N120-P122 WeakPolarHBondContact O-CD 3.4Å; P122-H124 VanDerWaalsContact C-N 3.31Å
123V75.6Confident88.9Confident116 Ų11640.2 Ų40.270%0.70323%0.227SC*.THydrogen-bonded Turntrans-75.3-26.2173.5-177.70000110.9Q121Q121-V123 PolarHBondContact O-N 3.49Å
124H81.3Confident89Confident62 Ų6243.7 Ų43.729%0.28725%0.245SC..SBendtrans-104.4137.5-175.5-63.2-47.5000111.3Q121 P122 T128 V129Q121-H124 PolarHBondContact O-N 2.96Å; P122-H124 VanDerWaalsContact C-N 3.31Å; H124-T128 HydrophobicContact CB-CG2 4.04Å; H124-V129 HydrophobicContact CB-CG2 3.71Å
125G85.7Confident89Confident39 Ų3952.6 Ų52.640%0.40228%0.278SS..  trans-70.1162.7169.900000111.6S127 T128 V129G125-S127 VanDerWaalsContact C-N 3.25Å; G125-S127 PolarHBondContact O-N 3.17Å; G125-T128 WeakPolarHBondContact O-CB 3.35Å; G125-T128 PolarHBondContact O-N 3.08Å; G125-V129 PolarHBondContact O-N 3.35Å
126V89.7Confident88.9Confident37 Ų3756.7 Ų56.722%0.22430%0.3CS..Hα-helixtrans-53.7-42.3178.9176.40000111.8A59 V114 T118 V129 F130A59-V126 HydrophobicContact CB-CG1 4.16Å; V114-V126 HydrophobicContact CG1-CG1 3.73Å; T118-V126 HydrophobicContact CG2-CG2 3.96Å; V126-V129 PolarHBondContact O-N 2.68Å; V126-F130 VanDerWaalsContact O-CB 3.29Å; V126-F130 WeakPolarHBondContact O-CB 3.29Å; V126-F130 PolarHBondContact O-N 3.43Å
127S90.5Very high88.8Confident81 Ų8158.1 Ų58.157%0.56631%0.307SS*.Hα-helixtrans-64.2-40.5178.154.30000112.5G125 F130 L131G125-S127 VanDerWaalsContact C-N 3.25Å; G125-S127 PolarHBondContact O-N 3.17Å; S127-F130 PolarHBondContact O-N 3.26Å; S127-L131 WeakPolarHBondContact O-CB 3.32Å; S127-L131 VanDerWaalsContact O-CG 3.28Å; S127-L131 WeakPolarHBondContact O-CG 3.31Å; S127-L131 PolarHBondContact O-N 3.28Å
128T91.8Very high88.8Confident55 Ų5558.6 Ų58.634%0.33732%0.317SS..Hα-helixtrans-64.7-46.6176.6-52.40000110.9H124 G125 F130 L131 Q132H124-T128 HydrophobicContact CB-CG2 4.04Å; G125-T128 WeakPolarHBondContact O-CB 3.35Å; G125-T128 PolarHBondContact O-N 3.08Å; T128-F130 VanDerWaalsContact C-N 3.35Å; T128-F130 PolarHBondContact O-N 3.34Å; T128-L131 PolarHBondContact O-N 3.42Å; T128-Q132 HydrophobicContact CG2-CG 4.33Å; T128-Q132 VanDerWaalsContact O-CB 3.28Å; T128-Q132 WeakPolarHBondContact O-CB 3.28Å; T128-Q132 WeakPolarHBondContact O-CG 3.14Å; T128-Q132 PolarHBondContact O-N 2.68Å
129V91.9Very high88.9Confident1 Ų164.4 Ų64.41%0.00635%0.347CS..Hα-helixtrans-63.8-40.8178173.70000111.4R117 T118 H124 G125 V126 T133R117-V129 HydrophobicContact CB-CG1 3.5Å; T118-V129 HydrophobicContact CG2-CG2 4.4Å; H124-V129 HydrophobicContact CB-CG2 3.71Å; G125-V129 PolarHBondContact O-N 3.35Å; V126-V129 PolarHBondContact O-N 2.68Å; V129-T133 WeakPolarHBondContact O-CB 3.09Å; V129-T133 PolarHBondContact O-N 3.27Å; V129-T133 PolarHBondContact O-OG1 2.87Å
130F93.7Very high89Confident93 Ų9375 Ų7541%0.40839%0.387SS..Hα-helixtrans-59.9-52.8175177.7-90.5000111.4V114 V126 S127 T128 Q132 T133 L134 F142V114-F130 HydrophobicContact CG2-CD2 4.14Å; V126-F130 VanDerWaalsContact O-CB 3.29Å; V126-F130 WeakPolarHBondContact O-CB 3.29Å; V126-F130 PolarHBondContact O-N 3.43Å; S127-F130 PolarHBondContact O-N 3.26Å; T128-F130 VanDerWaalsContact C-N 3.35Å; T128-F130 PolarHBondContact O-N 3.34Å; F130-Q132 PolarHBondContact O-N 3.01Å; F130-T133 PolarHBondContact O-N 2.88Å; F130-L134 HydrophobicContact CE1-CD2 4.44Å; F130-L134 PolarHBondContact O-N 2.95Å; F130-F142 AromaticContact CD2-CE1 3.45Å; F130-F142 HydrophobicContact CD2-CE1 3.45Å; F130-F142 VanDerWaalsContact CD2-CE1 3.45Å; F130-F142 AromaticContact CD2-CZ 3.58Å; F130-F142 HydrophobicContact CD2-CZ 3.58Å; F130-F142 AromaticContact CE2-CE1 3.63Å; F130-F142 HydrophobicContact CE2-CE1 3.63Å; F130-F142 HydrophobicContact CE2-CE2 4.36Å; F130-F142 AromaticContact CE2-CZ 3.5Å; F130-F142 HydrophobicContact CE2-CZ 3.5Å; F130-F142 HydrophobicContact CG-CE1 4.27Å; F130-F142 HydrophobicContact CG-CZ 4.16Å; F130-F142 HydrophobicContact CZ-CZ 4.03Å
131L95.4Very high89.1Confident108 Ų10872.8 Ų72.857%0.56538%0.375SS*.Hα-helixtrans-64.5-38.9179.7-71.1170.8000112.2S127 T128 L134 R135S127-L131 WeakPolarHBondContact O-CB 3.32Å; S127-L131 VanDerWaalsContact O-CG 3.28Å; S127-L131 WeakPolarHBondContact O-CG 3.31Å; S127-L131 PolarHBondContact O-N 3.28Å; T128-L131 PolarHBondContact O-N 3.42Å; L131-L134 PolarHBondContact O-N 3.3Å; L131-R135 WeakPolarHBondContact O-CB 3.22Å; L131-R135 PolarHBondContact O-N 3.26Å
132Q92.7Very high89.6Confident47 Ų4769.5 Ų69.522%0.2236%0.359CS..Hα-helixtrans-63.5-43174.8-77.4173-22.300111.6T128 F130 R135 N136T128-Q132 HydrophobicContact CG2-CG 4.33Å; T128-Q132 VanDerWaalsContact O-CB 3.28Å; T128-Q132 WeakPolarHBondContact O-CB 3.28Å; T128-Q132 WeakPolarHBondContact O-CG 3.14Å; T128-Q132 PolarHBondContact O-N 2.68Å; F130-Q132 PolarHBondContact O-N 3.01Å; Q132-R135 PolarHBondContact O-N 2.9Å; Q132-N136 VanDerWaalsContact O-CB 3.22Å; Q132-N136 WeakPolarHBondContact O-CB 3.35Å; Q132-N136 PolarHBondContact O-N 3.07Å; Q132-N136 PolarHBondContact O-ND2 2.95Å
133T92.5Very high90.8Very high5 Ų572.5 Ų72.53%0.03137%0.368CS..Hα-helixtrans-62.4-47.9176.5-61.70000110.6R117 V129 F130 R135 E137 G138 F142R117-T133 PolarHBondContact NH1-OG1 3.46Å; V129-T133 WeakPolarHBondContact O-CB 3.09Å; V129-T133 PolarHBondContact O-N 3.27Å; V129-T133 PolarHBondContact O-OG1 2.87Å; F130-T133 PolarHBondContact O-N 2.88Å; T133-R135 VanDerWaalsContact C-N 3.35Å; T133-R135 PolarHBondContact O-N 3.22Å; T133-E137 WeakPolarHBondContact O-CB 3.37Å; T133-E137 PolarHBondContact O-N 3.48Å; T133-G138 PolarHBondContact O-N 3.09Å; T133-F142 HydrophobicContact CG2-CD1 3.94Å; T133-F142 HydrophobicContact CG2-CD2 4.28Å; T133-F142 HydrophobicContact CG2-CE1 3.74Å; T133-F142 HydrophobicContact CG2-CE2 4.11Å; T133-F142 HydrophobicContact CG2-CG 4.21Å; T133-F142 HydrophobicContact CG2-CZ 3.85Å
134L95.1Very high91.3Very high73 Ų7368.7 Ų68.738%0.38234%0.34SS..Hα-helixtrans-62-41.4177.6-17762.6000112.1F130 L131 G138 I139 F142F130-L134 HydrophobicContact CE1-CD2 4.44Å; F130-L134 PolarHBondContact O-N 2.95Å; L131-L134 PolarHBondContact O-N 3.3Å; L134-G138 WeakPolarHBondContact O-CA 3.44Å; L134-G138 PolarHBondContact O-N 3.28Å; L134-I139 HydrophobicContact CD1-CG1 4.42Å; L134-F142 HydrophobicContact CB-CE2 3.95Å; L134-F142 HydrophobicContact CB-CZ 4.06Å; L134-F142 HydrophobicContact CD1-CE2 4.05Å
135R94Very high91.6Very high193 Ų19366 Ų6673%0.72833%0.329SS*.Hα-helixtrans-71.7-41-178.8-173.2177.568.7-176.62113L131 Q132 T133L131-R135 WeakPolarHBondContact O-CB 3.22Å; L131-R135 PolarHBondContact O-N 3.26Å; Q132-R135 PolarHBondContact O-N 2.9Å; T133-R135 VanDerWaalsContact C-N 3.35Å; T133-R135 PolarHBondContact O-N 3.22Å
136N91.8Very high91.9Very high100 Ų10066.4 Ų66.454%0.53532%0.319SS..Hα-helixtrans-89.4-30.3-171.9-62.2-8.3000112.9Q132Q132-N136 VanDerWaalsContact O-CB 3.22Å; Q132-N136 WeakPolarHBondContact O-CB 3.35Å; Q132-N136 PolarHBondContact O-N 3.07Å; Q132-N136 PolarHBondContact O-ND2 2.95Å
137E90.5Very high92Very high34 Ų3469.1 Ų69.116%0.15934%0.335CS..Hα-helixtrans-124.6-8.8-174.1-65.4172.9-136.400113.5R117 T133 G141 R144 P227R117-E137 IonicContact CZ-OE1 2.76Å; R117-E137 VanDerWaalsContact CZ-OE1 3.3Å; R117-E137 IonicContact CZ-OE2 2.77Å; R117-E137 IonicContact NH1-OE1 3.22Å; R117-E137 PolarHBondContact NH1-OE1 3.25Å; R117-E137 IonicContact NH1-OE2 3.04Å; R117-E137 VanDerWaalsContact NH2-CD 3.32Å; R117-E137 IonicContact NH2-OE1 3.1Å; R117-E137 PolarHBondContact NH2-OE1 2.96Å; R117-E137 IonicContact NH2-OE2 3.33Å; R117-E137 PolarHBondContact NH2-OE2 2.68Å; T133-E137 WeakPolarHBondContact O-CB 3.37Å; T133-E137 PolarHBondContact O-N 3.48Å; E137-G141 WeakPolarHBondContact OE2-CA 3.25Å; E137-R144 VanDerWaalsContact CD-CZ 3.5Å; E137-R144 VanDerWaalsContact CD-NH1 3.31Å; E137-R144 IonicContact OE1-CZ 3.59Å; E137-R144 IonicContact OE1-NH1 2.84Å; E137-R144 PolarHBondContact OE1-NH1 2.77Å; E137-R144 IonicContact OE2-CZ 3.12Å; E137-R144 IonicContact OE2-NE 3.37Å; E137-R144 PolarHBondContact OE2-NE 3.04Å; E137-R144 IonicContact OE2-NH1 2.68Å; E137-R144 PolarHBondContact OE2-NH1 3.25Å; E137-R144 VanDerWaalsContact OE2-NH1 3.14Å; E137-R144 IonicContact OE2-NH2 3.66Å; E137-R144 PolarHBondContact OE2-NH2 2.74Å; E137-R144 VanDerWaalsContact OE2-NH2 3.16Å; E137-P227 HydrophobicContact CG-CB 4.05Å; E137-P227 HydrophobicContact CG-CG 3.6Å
138G92.2Very high91.9Very high26 Ų2665.3 Ų65.327%0.26831%0.309SS..  trans64.4-160.1-172.200000112.6T133 L134 R140 G141T133-G138 PolarHBondContact O-N 3.09Å; L134-G138 WeakPolarHBondContact O-CA 3.44Å; L134-G138 PolarHBondContact O-N 3.28Å; G138-R140 PolarHBondContact O-N 3.03Å; G138-G141 PolarHBondContact O-N 3.3Å
139I93.1Very high91.9Very high122 Ų12262.7 Ų62.763%0.62629%0.293SS*.Hα-helixtrans-61.3-32.3179.8-61.6170.8000111.4L134 G141 F142 Y143L134-I139 HydrophobicContact CD1-CG1 4.42Å; I139-G141 PolarHBondContact O-N 3.11Å; I139-F142 PolarHBondContact O-N 2.71Å; I139-Y143 HydrophobicContact CG2-CD2 4.35Å; I139-Y143 HydrophobicContact CG2-CE2 4.12Å
140R90.8Very high91.9Very high223 Ų22363.8 Ų63.884%0.84230%0.298SS*.Hα-helixtrans-61.1-30.1179.4-69.2-177.9176.4174.1-0.9112.6G138 F142 Y143 R144G138-R140 PolarHBondContact O-N 3.03Å; R140-F142 VanDerWaalsContact C-N 3.3Å; R140-F142 PolarHBondContact O-N 2.74Å; R140-Y143 PolarHBondContact O-N 3.27Å; R140-Y143 VanDerWaalsContact O-N 3.16Å; R140-R144 PolarHBondContact O-N 3.29Å
141G90.7Very high91.7Very high0 Ų060.7 Ų60.70%029%0.288CS..Hα-helixtrans-61.4-36.7177.800000113.4E137 G138 I139 Y143 R144E137-G141 WeakPolarHBondContact OE2-CA 3.25Å; G138-G141 PolarHBondContact O-N 3.3Å; I139-G141 PolarHBondContact O-N 3.11Å; G141-Y143 PolarHBondContact O-N 3.49Å; G141-R144 VanDerWaalsContact O-CB 3.24Å; G141-R144 WeakPolarHBondContact O-CB 3.22Å; G141-R144 PolarHBondContact O-N 3.39Å; G141-R144 VanDerWaalsContact O-N 3.16Å
142F93.4Very high91.5Very high16 Ų1657.1 Ų57.17%0.0727%0.267CS..Hα-helixtrans-69.7-20.5177.7-63.4-73.8000113.8P110 V113 V114 F130 T133 L134 I139 R140P110-F142 WeakPolarHBondContact CA-O 3.28Å; P110-F142 HydrophobicContact CB-CB 4.03Å; P110-F142 HydrophobicContact CG-CB 4.32Å; V113-F142 WeakPolarHBondContact CG2-O 3.29Å; V114-F142 HydrophobicContact CG2-CD1 3.8Å; V114-F142 HydrophobicContact CG2-CE1 3.6Å; F130-F142 AromaticContact CD2-CE1 3.45Å; F130-F142 HydrophobicContact CD2-CE1 3.45Å; F130-F142 VanDerWaalsContact CD2-CE1 3.45Å; F130-F142 AromaticContact CD2-CZ 3.58Å; F130-F142 HydrophobicContact CD2-CZ 3.58Å; F130-F142 AromaticContact CE2-CE1 3.63Å; F130-F142 HydrophobicContact CE2-CE1 3.63Å; F130-F142 HydrophobicContact CE2-CE2 4.36Å; F130-F142 AromaticContact CE2-CZ 3.5Å; F130-F142 HydrophobicContact CE2-CZ 3.5Å; F130-F142 HydrophobicContact CG-CE1 4.27Å; F130-F142 HydrophobicContact CG-CZ 4.16Å; F130-F142 HydrophobicContact CZ-CZ 4.03Å; T133-F142 HydrophobicContact CG2-CD1 3.94Å; T133-F142 HydrophobicContact CG2-CD2 4.28Å; T133-F142 HydrophobicContact CG2-CE1 3.74Å; T133-F142 HydrophobicContact CG2-CE2 4.11Å; T133-F142 HydrophobicContact CG2-CG 4.21Å; T133-F142 HydrophobicContact CG2-CZ 3.85Å; L134-F142 HydrophobicContact CB-CE2 3.95Å; L134-F142 HydrophobicContact CB-CZ 4.06Å; L134-F142 HydrophobicContact CD1-CE2 4.05Å; I139-F142 PolarHBondContact O-N 2.71Å; R140-F142 VanDerWaalsContact C-N 3.3Å; R140-F142 PolarHBondContact O-N 2.74Å
143Y93.7Very high91.3Very high92 Ų9256 Ų5636%0.36126%0.262SS..THydrogen-bonded Turntrans-100.96.4175.9-67.5-79.7000112.6I106 P110 I139 R140 G141 G145 Y146I106-Y143 PolarHBondContact O-OH 2.99Å; P110-Y143 HydrophobicContact CG-CD1 4.41Å; P110-Y143 HydrophobicContact CG-CE1 3.82Å; P110-Y143 HydrophobicContact CG-CE2 4.32Å; I139-Y143 HydrophobicContact CG2-CD2 4.35Å; I139-Y143 HydrophobicContact CG2-CE2 4.12Å; R140-Y143 PolarHBondContact O-N 3.27Å; R140-Y143 VanDerWaalsContact O-N 3.16Å; G141-Y143 PolarHBondContact O-N 3.49Å; Y143-G145 PolarHBondContact O-N 3.45Å; Y143-Y146 HydrophobicContact CD1-CD2 4.09Å; Y143-Y146 WeakPolarHBondContact O-CB 3.2Å; Y143-Y146 PolarHBondContact O-N 3.46Å
144R86.9Confident91.1Very high35 Ų3558.2 Ų58.213%0.13227%0.273CS..THydrogen-bonded Turntrans-65.598.8174.3-175.7175.7-74165.28.4108.8V113 E137 R140 G141 I222 M223 A225V113-R144 WeakPolarHBondContact CG2-O 3.42Å; E137-R144 VanDerWaalsContact CD-CZ 3.5Å; E137-R144 VanDerWaalsContact CD-NH1 3.31Å; E137-R144 IonicContact OE1-CZ 3.59Å; E137-R144 IonicContact OE1-NH1 2.84Å; E137-R144 PolarHBondContact OE1-NH1 2.77Å; E137-R144 IonicContact OE2-CZ 3.12Å; E137-R144 IonicContact OE2-NE 3.37Å; E137-R144 PolarHBondContact OE2-NE 3.04Å; E137-R144 IonicContact OE2-NH1 2.68Å; E137-R144 PolarHBondContact OE2-NH1 3.25Å; E137-R144 VanDerWaalsContact OE2-NH1 3.14Å; E137-R144 IonicContact OE2-NH2 3.66Å; E137-R144 PolarHBondContact OE2-NH2 2.74Å; E137-R144 VanDerWaalsContact OE2-NH2 3.16Å; R140-R144 PolarHBondContact O-N 3.29Å; G141-R144 VanDerWaalsContact O-CB 3.24Å; G141-R144 WeakPolarHBondContact O-CB 3.22Å; G141-R144 PolarHBondContact O-N 3.39Å; G141-R144 VanDerWaalsContact O-N 3.16Å; R144-I222 VanDerWaalsContact CD-O 3.26Å; R144-I222 WeakPolarHBondContact CD-O 3.11Å; R144-I222 HydrophobicContact CG-CG2 4.15Å; R144-I222 WeakPolarHBondContact CG-O 3.33Å; R144-M223 WeakPolarHBondContact O-CG 3.31Å; R144-A225 PolarHBondContact NH1-O 3.06Å
145G87.3Confident90.9Very high5 Ų556.8 Ų56.85%0.05227%0.268CS..THydrogen-bonded Turntrans112.311.7-175.100000114.8Y143 S148 T149Y143-G145 PolarHBondContact O-N 3.45Å; G145-S148 WeakPolarHBondContact CA-OG 3.28Å; G145-S148 PolarHBondContact O-N 2.98Å; G145-S148 PolarHBondContact O-OG 3.47Å; G145-T149 VanDerWaalsContact O-CB 3.32Å; G145-T149 WeakPolarHBondContact O-CB 3.35Å; G145-T149 PolarHBondContact O-N 3.05Å; G145-T149 PolarHBondContact O-OG1 2.96Å
146Y91.6Very high90.8Very high49 Ų4948.5 Ų48.519%0.19224%0.238CC..Hα-helixtrans-58-53.1171.7-176.7-93.6000111.7I102 C105 I106 V109 Y143 S148 T149 L150I102-Y146 WeakPolarHBondContact CG2-OH 3.48Å; I102-Y146 PolarHBondContact O-OH 3.18Å; C105-Y146 HydrophobicContact CB-CD2 4.05Å; C105-Y146 HydrophobicContact CB-CE2 3.45Å; C105-Y146 VanDerWaalsContact CB-CE2 3.45Å; I106-Y146 HydrophobicContact CG1-CE2 4.17Å; V109-Y146 HydrophobicContact CB-CD2 4.18Å; V109-Y146 HydrophobicContact CG1-CD2 4.44Å; V109-Y146 HydrophobicContact CG2-CD2 3.85Å; Y143-Y146 HydrophobicContact CD1-CD2 4.09Å; Y143-Y146 WeakPolarHBondContact O-CB 3.2Å; Y143-Y146 PolarHBondContact O-N 3.46Å; Y146-S148 PolarHBondContact O-N 3.23Å; Y146-T149 WeakPolarHBondContact O-CB 3.3Å; Y146-T149 PolarHBondContact O-N 3.41Å; Y146-L150 HydrophobicContact CD1-CD1 3.94Å; Y146-L150 HydrophobicContact CE1-CD1 3.4Å; Y146-L150 VanDerWaalsContact CE1-CD1 3.4Å; Y146-L150 HydrophobicContact CE1-CG 4.31Å; Y146-L150 PolarHBondContact O-N 3.4Å
147V91.7Very high90.7Very high93 Ų9345.3 Ų45.356%0.56422%0.223SC*.Hα-helixtrans-64.4-39.6178.5-1790000111.4T149 L150 S151 I236V147-T149 VanDerWaalsContact C-N 3.31Å; V147-T149 PolarHBondContact O-N 3.42Å; V147-L150 PolarHBondContact O-N 3.34Å; V147-S151 WeakPolarHBondContact O-CB 3.3Å; V147-S151 PolarHBondContact O-N 3.02Å; V147-I236 HydrophobicContact CG1-CD1 4.02Å
148S89.3Confident90.6Very high1 Ų148 Ų481%0.00724%0.238CC..Hα-helixtrans-66.5-34.3176.8630000112.2G145 Y146 S151 R152G145-S148 WeakPolarHBondContact CA-OG 3.28Å; G145-S148 PolarHBondContact O-N 2.98Å; G145-S148 PolarHBondContact O-OG 3.47Å; Y146-S148 PolarHBondContact O-N 3.23Å; S148-S151 WeakPolarHBondContact CA-OG 3.29Å; S148-S151 PolarHBondContact O-N 2.88Å; S148-S151 PolarHBondContact O-OG 3.2Å; S148-R152 PolarHBondContact O-N 3.27Å; S148-R152 VanDerWaalsContact O-N 3.16Å
149T91.5Very high90.6Very high0 Ų049 Ų490%024%0.237CC..Hα-helixtrans-62.6-53.3172.2-57.70000110.4V109 G145 Y146 V147 S151 R152 E153 K219 M223V109-T149 HydrophobicContact CG2-CG2 4.05Å; G145-T149 VanDerWaalsContact O-CB 3.32Å; G145-T149 WeakPolarHBondContact O-CB 3.35Å; G145-T149 PolarHBondContact O-N 3.05Å; G145-T149 PolarHBondContact O-OG1 2.96Å; Y146-T149 WeakPolarHBondContact O-CB 3.3Å; Y146-T149 PolarHBondContact O-N 3.41Å; V147-T149 VanDerWaalsContact C-N 3.31Å; V147-T149 PolarHBondContact O-N 3.42Å; T149-S151 VanDerWaalsContact C-N 3.29Å; T149-S151 PolarHBondContact O-N 2.96Å; T149-R152 WeakPolarHBondContact O-CA 3.37Å; T149-R152 WeakPolarHBondContact O-CB 3.34Å; T149-R152 PolarHBondContact O-N 3.36Å; T149-E153 HydrophobicContact CG2-CG 3.92Å; T149-E153 VanDerWaalsContact O-CG 3.26Å; T149-E153 WeakPolarHBondContact O-CG 3.32Å; T149-E153 PolarHBondContact O-N 3.2Å; T149-K219 VanDerWaalsContact OG1-CE 3.28Å; T149-K219 WeakPolarHBondContact OG1-CE 3.5Å; T149-M223 VanDerWaalsContact OG1-CE 3.23Å; T149-M223 WeakPolarHBondContact OG1-CE 3.25Å
150L92.4Very high90.6Very high24 Ų2445.2 Ų45.213%0.12622%0.216CC..Hα-helixtrans-57.9-42.1177.4-69.6175.6000112.7E101 I102 C105 Y146 V147 R152 E153 I154E101-L150 HydrophobicContact CG-CD2 4.32Å; I102-L150 HydrophobicContact CG1-CD1 4.17Å; I102-L150 HydrophobicContact CG1-CD2 3.93Å; C105-L150 HydrophobicContact CB-CD2 4.17Å; C105-L150 WeakPolarHBondContact SG-CD2 3.39Å; Y146-L150 HydrophobicContact CD1-CD1 3.94Å; Y146-L150 HydrophobicContact CE1-CD1 3.4Å; Y146-L150 VanDerWaalsContact CE1-CD1 3.4Å; Y146-L150 HydrophobicContact CE1-CG 4.31Å; Y146-L150 PolarHBondContact O-N 3.4Å; V147-L150 PolarHBondContact O-N 3.34Å; L150-R152 PolarHBondContact O-N 3.39Å; L150-R152 VanDerWaalsContact O-N 3.16Å; L150-E153 PolarHBondContact O-N 2.62Å; L150-I154 HydrophobicContact CB-CD1 4.44Å; L150-I154 WeakPolarHBondContact O-CB 3.35Å; L150-I154 WeakPolarHBondContact O-CG1 3.14Å; L150-I154 PolarHBondContact O-N 3.01Å
151S89.9Confident90.5Very high28 Ų2840.1 Ų40.120%0.19620%0.198CC..Hα-helixtrans-62.9-20.8177.578.60000113.5V147 S148 T149 P155 L215 I236V147-S151 WeakPolarHBondContact O-CB 3.3Å; V147-S151 PolarHBondContact O-N 3.02Å; S148-S151 WeakPolarHBondContact CA-OG 3.29Å; S148-S151 PolarHBondContact O-N 2.88Å; S148-S151 PolarHBondContact O-OG 3.2Å; T149-S151 VanDerWaalsContact C-N 3.29Å; T149-S151 PolarHBondContact O-N 2.96Å; S151-P155 WeakPolarHBondContact O-CD 3.3Å; S151-P155 WeakPolarHBondContact O-CG 3.41Å; S151-L215 WeakPolarHBondContact O-CD1 3.27Å; S151-I236 VanDerWaalsContact CB-CD1 3.43Å; S151-I236 VanDerWaalsContact OG-CD1 3.23Å; S151-I236 WeakPolarHBondContact OG-CD1 3.3Å
152R89.6Confident90.5Very high34 Ų3443.4 Ų43.413%0.12822%0.219CC..Hα-helixtrans-91.2-47.4175.8-175.2-159.473.188.5-10.5111.3S148 T149 L150 F156 L215 D216S148-R152 PolarHBondContact O-N 3.27Å; S148-R152 VanDerWaalsContact O-N 3.16Å; T149-R152 WeakPolarHBondContact O-CA 3.37Å; T149-R152 WeakPolarHBondContact O-CB 3.34Å; T149-R152 PolarHBondContact O-N 3.36Å; L150-R152 PolarHBondContact O-N 3.39Å; L150-R152 VanDerWaalsContact O-N 3.16Å; R152-F156 WeakPolarHBondContact O-CB 3.28Å; R152-F156 PolarHBondContact O-N 2.94Å; R152-F156 VanDerWaalsContact O-N 3.07Å; R152-L215 HydrophobicContact CB-CB 4.32Å; R152-L215 HydrophobicContact CG-CB 4.42Å; R152-D216 VanDerWaalsContact CD-OD1 3.28Å; R152-D216 WeakPolarHBondContact CD-OD1 3.3Å; R152-D216 HydrophobicContact CG-CB 4.42Å
153E89.1Confident90.5Very high24 Ų2444.8 Ų44.811%0.11223%0.227CC..Hα-helixtrans-64.7-46.7-175.2-59-74.4-174.800111E101 R108 T149 L150 F156 S157E101-E153 HydrophobicContact CG-CB 3.88Å; E101-E153 HydrophobicContact CG-CG 4.49Å; E101-E153 VanDerWaalsContact OE1-CG 3.29Å; E101-E153 WeakPolarHBondContact OE1-CG 3.41Å; R108-E153 IonicContact NH1-OE1 3.94Å; R108-E153 PolarHBondContact NH1-OE1 3.47Å; R108-E153 VanDerWaalsContact NH1-OE1 3.14Å; T149-E153 HydrophobicContact CG2-CG 3.92Å; T149-E153 VanDerWaalsContact O-CG 3.26Å; T149-E153 WeakPolarHBondContact O-CG 3.32Å; T149-E153 PolarHBondContact O-N 3.2Å; L150-E153 PolarHBondContact O-N 2.62Å; E153-F156 PolarHBondContact O-N 3.11Å; E153-S157 PolarHBondContact O-N 3.35Å; E153-S157 PolarHBondContact O-OG 3.44Å
154I89.1Confident90.3Very high51 Ų5144 Ų4426%0.26222%0.224SC..Hα-helixtrans-61.8-53.8-176.1-65.7168.4000111.2L150 F156 S157 L158L150-I154 HydrophobicContact CB-CD1 4.44Å; L150-I154 WeakPolarHBondContact O-CB 3.35Å; L150-I154 WeakPolarHBondContact O-CG1 3.14Å; L150-I154 PolarHBondContact O-N 3.01Å; I154-F156 VanDerWaalsContact C-N 3.31Å; I154-F156 PolarHBondContact O-N 3.17Å; I154-S157 PolarHBondContact O-N 3.1Å; I154-L158 HydrophobicContact CG2-CD1 3.76Å; I154-L158 HydrophobicContact CG2-CG 4.36Å; I154-L158 WeakPolarHBondContact O-CB 3.45Å; I154-L158 VanDerWaalsContact O-CG 3.26Å; I154-L158 WeakPolarHBondContact O-CG 3.38Å; I154-L158 PolarHBondContact O-N 3.13Å
155P91Very high90.4Very high42 Ų4247.8 Ų47.827%0.27324%0.243SC..Hα-helixtrans-63.3-35.4175.6-25.738.4000113.3S151 L158 I159 T212 L215S151-P155 WeakPolarHBondContact O-CD 3.3Å; S151-P155 WeakPolarHBondContact O-CG 3.41Å; P155-L158 PolarHBondContact O-N 3.17Å; P155-I159 WeakPolarHBondContact O-CB 3.37Å; P155-I159 WeakPolarHBondContact O-CD1 3.47Å; P155-I159 WeakPolarHBondContact O-CG1 3.47Å; P155-I159 PolarHBondContact O-N 3.37Å; P155-T212 HydrophobicContact CB-CG2 4.06Å; P155-L215 HydrophobicContact CG-CD1 4.31Å
156F91.9Very high90.7Very high20 Ų2053.5 Ų53.59%0.08827%0.266CS..Hα-helixtrans-60.6-49.5177.8177.2-98000110.7R152 E153 I154 I159 Q160 A208 T212 L263R152-F156 WeakPolarHBondContact O-CB 3.28Å; R152-F156 PolarHBondContact O-N 2.94Å; R152-F156 VanDerWaalsContact O-N 3.07Å; E153-F156 PolarHBondContact O-N 3.11Å; I154-F156 VanDerWaalsContact C-N 3.31Å; I154-F156 PolarHBondContact O-N 3.17Å; F156-I159 PolarHBondContact O-N 3.3Å; F156-Q160 WeakPolarHBondContact O-CB 3.41Å; F156-Q160 PolarHBondContact O-N 3.34Å; F156-A208 HydrophobicContact CD2-CB 3.72Å; F156-A208 HydrophobicContact CE2-CB 3.76Å; F156-A208 HydrophobicContact CG-CB 4.5Å; F156-T212 HydrophobicContact CB-CG2 4.15Å; F156-L263 HydrophobicContact CE2-CD1 4.41Å; F156-L263 HydrophobicContact CZ-CD2 4.28Å
157S88.3Confident90.8Very high32 Ų3253.1 Ų53.122%0.22427%0.267CS..Hα-helixtrans-63.2-44.9176.2-65.10000112.5E153 I154 I159 Q160 Y161E153-S157 PolarHBondContact O-N 3.35Å; E153-S157 PolarHBondContact O-OG 3.44Å; I154-S157 PolarHBondContact O-N 3.1Å; S157-I159 PolarHBondContact O-N 3.1Å; S157-Q160 PolarHBondContact O-N 2.98Å; S157-Y161 WeakPolarHBondContact O-CD2 3.45Å; S157-Y161 PolarHBondContact O-N 3.14Å
158L89.1Confident90.7Very high91 Ų9150.9 Ų50.948%0.47625%0.25SC..Hα-helixtrans-63.2-24.4179.6-72.2174.7000113.5V94 I154 P155 P162V94-L158 HydrophobicContact CG1-CD2 4.14Å; I154-L158 HydrophobicContact CG2-CD1 3.76Å; I154-L158 HydrophobicContact CG2-CG 4.36Å; I154-L158 WeakPolarHBondContact O-CB 3.45Å; I154-L158 VanDerWaalsContact O-CG 3.26Å; I154-L158 WeakPolarHBondContact O-CG 3.38Å; I154-L158 PolarHBondContact O-N 3.13Å; P155-L158 PolarHBondContact O-N 3.17Å; L158-P162 WeakPolarHBondContact O-CD 3.41Å; L158-P162 VanDerWaalsContact O-CG 3.24Å; L158-P162 WeakPolarHBondContact O-CG 3.39Å
159I92.3Very high90.7Very high47 Ų4757.8 Ų57.824%0.24128%0.277CS..Hα-helixtrans-91.2-44.6174.8-64164.6000110.6P155 F156 S157 I163 A208 V211 T212P155-I159 WeakPolarHBondContact O-CB 3.37Å; P155-I159 WeakPolarHBondContact O-CD1 3.47Å; P155-I159 WeakPolarHBondContact O-CG1 3.47Å; P155-I159 PolarHBondContact O-N 3.37Å; F156-I159 PolarHBondContact O-N 3.3Å; S157-I159 PolarHBondContact O-N 3.1Å; I159-I163 HydrophobicContact CG2-CD1 3.64Å; I159-I163 WeakPolarHBondContact O-CD1 3.42Å; I159-I163 VanDerWaalsContact O-CG1 3.25Å; I159-I163 WeakPolarHBondContact O-CG1 3.26Å; I159-I163 PolarHBondContact O-N 2.88Å; I159-A208 HydrophobicContact CB-CB 3.99Å; I159-A208 HydrophobicContact CG2-CB 3.76Å; I159-V211 HydrophobicContact CD1-CB 4.14Å; I159-V211 HydrophobicContact CD1-CG1 3.64Å; I159-T212 HydrophobicContact CD1-CG2 4.24Å
160Q92.7Very high90.7Very high43 Ų4362.8 Ų62.820%0.20130%0.301CS..Hα-helixtrans-64.1-47.5-174.7-174.4-175.219.200111.9F156 S157 I163 W164 A204 A208F156-Q160 WeakPolarHBondContact O-CB 3.41Å; F156-Q160 PolarHBondContact O-N 3.34Å; S157-Q160 PolarHBondContact O-N 2.98Å; Q160-I163 PolarHBondContact O-N 2.88Å; Q160-W164 WeakPolarHBondContact O-CB 3.42Å; Q160-W164 PolarHBondContact O-N 3.23Å; Q160-A204 HydrophobicContact CG-CB 4.13Å; Q160-A208 HydrophobicContact CB-CB 3.8Å
161Y88.4Confident90.6Very high115 Ų11563 Ų6345%0.45130%0.304SS..Hα-helixtrans-64.9-49.1-173.3-72.7-63.2000113.3S157 I163 W164 E165S157-Y161 WeakPolarHBondContact O-CD2 3.45Å; S157-Y161 PolarHBondContact O-N 3.14Å; Y161-I163 VanDerWaalsContact C-N 3.32Å; Y161-I163 PolarHBondContact O-N 2.9Å; Y161-W164 HydrophobicContact CD1-CE3 4.21Å; Y161-W164 HydrophobicContact CD1-CZ3 4.5Å; Y161-W164 PolarHBondContact O-N 3.32Å; Y161-E165 WeakPolarHBondContact O-CG 3.46Å; Y161-E165 PolarHBondContact O-N 3.44Å
162P90.8Very high90.5Very high70 Ų7063.6 Ų63.646%0.45530%0.304SS..Hα-helixtrans-61.6-39.1177.8-26.437.1000113.3L158 E165 K166L158-P162 WeakPolarHBondContact O-CD 3.41Å; L158-P162 VanDerWaalsContact O-CG 3.24Å; L158-P162 WeakPolarHBondContact O-CG 3.39Å; P162-E165 PolarHBondContact O-N 2.78Å; P162-K166 WeakPolarHBondContact O-CB 3.21Å; P162-K166 PolarHBondContact O-N 2.67Å
163I93.3Very high90.3Very high45 Ų4565 Ų6523%0.23131%0.312CS..Hα-helixtrans-65.4-45.3176.3-63.8174.2000109.9I159 Q160 Y161 E165 K166 L167 A204 I207I159-I163 HydrophobicContact CG2-CD1 3.64Å; I159-I163 WeakPolarHBondContact O-CD1 3.42Å; I159-I163 VanDerWaalsContact O-CG1 3.25Å; I159-I163 WeakPolarHBondContact O-CG1 3.26Å; I159-I163 PolarHBondContact O-N 2.88Å; Q160-I163 PolarHBondContact O-N 2.88Å; Y161-I163 VanDerWaalsContact C-N 3.32Å; Y161-I163 PolarHBondContact O-N 2.9Å; I163-E165 PolarHBondContact O-N 2.76Å; I163-K166 PolarHBondContact O-N 2.98Å; I163-L167 HydrophobicContact CG2-CD1 3.8Å; I163-L167 HydrophobicContact CG2-CG 4.22Å; I163-L167 WeakPolarHBondContact O-CB 3.28Å; I163-L167 VanDerWaalsContact O-CG 3.24Å; I163-L167 WeakPolarHBondContact O-CG 3.5Å; I163-L167 PolarHBondContact O-N 3.49Å; I163-A204 HydrophobicContact CB-CB 3.99Å; I163-A204 HydrophobicContact CG2-CB 3.73Å; I163-I207 HydrophobicContact CD1-CB 4.1Å; I163-I207 HydrophobicContact CD1-CG2 3.62Å; I163-I207 HydrophobicContact CG2-CD1 4.23Å
164W91.2Very high90.2Very high76 Ų7671.5 Ų71.529%0.28834%0.336SS..Hα-helixtrans-60.7-44.8177.7174.467.9000112.2Q160 Y161 L167 K168 A204Q160-W164 WeakPolarHBondContact O-CB 3.42Å; Q160-W164 PolarHBondContact O-N 3.23Å; Y161-W164 HydrophobicContact CD1-CE3 4.21Å; Y161-W164 HydrophobicContact CD1-CZ3 4.5Å; Y161-W164 PolarHBondContact O-N 3.32Å; W164-L167 PolarHBondContact O-N 2.92Å; W164-K168 HydrophobicContact CD2-CD 4.06Å; W164-K168 VanDerWaalsContact CE2-CD 3.49Å; W164-K168 VanDerWaalsContact CE2-CE 3.47Å; W164-K168 HydrophobicContact CH2-CD 4.13Å; W164-K168 HydrophobicContact CZ2-CD 3.53Å; W164-K168 VanDerWaalsContact CZ2-NZ 3.33Å; W164-K168 WeakPolarHBondContact O-CB 3.47Å; W164-K168 WeakPolarHBondContact O-CG 3.42Å; W164-K168 PolarHBondContact O-N 3.18Å; W164-A204 HydrophobicContact CB-CB 3.79Å
165E89Confident89.9Confident113 Ų11370 Ų7053%0.52833%0.329SS..Hα-helixtrans-61.7-45176.4-73.8179.5166.100112Y161 P162 I163 K168 Y169Y161-E165 WeakPolarHBondContact O-CG 3.46Å; Y161-E165 PolarHBondContact O-N 3.44Å; P162-E165 PolarHBondContact O-N 2.78Å; I163-E165 PolarHBondContact O-N 2.76Å; E165-K168 PolarHBondContact O-N 3.07Å; E165-Y169 WeakPolarHBondContact O-CB 3.24Å; E165-Y169 PolarHBondContact O-N 3.34Å
166K92.7Very high89.5Confident126 Ų12673 Ų7355%0.54833%0.334SS..Hα-helixtrans-63-44.6177-175.861.9175.7-174.70111.7P162 I163 Y169 M170P162-K166 WeakPolarHBondContact O-CB 3.21Å; P162-K166 PolarHBondContact O-N 2.67Å; I163-K166 PolarHBondContact O-N 2.98Å; K166-Y169 PolarHBondContact O-N 2.98Å; K166-M170 HydrophobicContact CD-SD 4.49Å; K166-M170 HydrophobicContact CG-SD 4.11Å; K166-M170 VanDerWaalsContact O-CG 3.27Å; K166-M170 WeakPolarHBondContact O-CG 3.42Å; K166-M170 PolarHBondContact O-N 2.69Å
167L93.5Very high88.9Confident40 Ų4077.3 Ų77.321%0.20936%0.359CS..Hα-helixtrans-63.4-40.9177.3-71.9174000111.6I163 W164 M170 T171 C200 L203 A204I163-L167 HydrophobicContact CG2-CD1 3.8Å; I163-L167 HydrophobicContact CG2-CG 4.22Å; I163-L167 WeakPolarHBondContact O-CB 3.28Å; I163-L167 VanDerWaalsContact O-CG 3.24Å; I163-L167 WeakPolarHBondContact O-CG 3.5Å; I163-L167 PolarHBondContact O-N 3.49Å; W164-L167 PolarHBondContact O-N 2.92Å; L167-M170 PolarHBondContact O-N 2.9Å; L167-T171 WeakPolarHBondContact O-CB 3.41Å; L167-T171 PolarHBondContact O-N 3.1Å; L167-T171 PolarHBondContact O-OG1 2.64Å; L167-C200 HydrophobicContact CB-CB 3.89Å; L167-C200 WeakPolarHBondContact CD1-O 3.35Å; L167-L203 HydrophobicContact CD1-CB 3.77Å; L167-L203 HydrophobicContact CD1-CD1 4.49Å; L167-A204 HydrophobicContact CD1-CB 4.35Å
168K90.4Very high88.4Confident47 Ų4779.2 Ų79.220%0.20437%0.371CS..Hα-helixtrans-61.6-47.1174.4-77.5-170-61.3175.60111.7W164 E165 M170 T171 I172 L192 C200W164-K168 HydrophobicContact CD2-CD 4.06Å; W164-K168 VanDerWaalsContact CE2-CD 3.49Å; W164-K168 VanDerWaalsContact CE2-CE 3.47Å; W164-K168 HydrophobicContact CH2-CD 4.13Å; W164-K168 HydrophobicContact CZ2-CD 3.53Å; W164-K168 VanDerWaalsContact CZ2-NZ 3.33Å; W164-K168 WeakPolarHBondContact O-CB 3.47Å; W164-K168 WeakPolarHBondContact O-CG 3.42Å; W164-K168 PolarHBondContact O-N 3.18Å; E165-K168 PolarHBondContact O-N 3.07Å; K168-M170 VanDerWaalsContact C-N 3.33Å; K168-M170 PolarHBondContact O-N 3.48Å; K168-T171 PolarHBondContact O-N 3.22Å; K168-T171 VanDerWaalsContact O-N 3.14Å; K168-I172 WeakPolarHBondContact O-CG1 3.36Å; K168-I172 PolarHBondContact O-N 3.22Å; K168-L192 HydrophobicContact CB-CD1 4.21Å; K168-L192 HydrophobicContact CB-CD2 4.17Å; K168-L192 HydrophobicContact CD-CD1 4.42Å; K168-L192 HydrophobicContact CG-CD1 4.3Å; K168-L192 HydrophobicContact CG-CD2 3.88Å; K168-C200 HydrophobicContact CG-CB 4.25Å
169Y89.6Confident87.5Confident146 Ų14679.5 Ų79.557%0.57337%0.372SS*.Hα-helixtrans-58.5-46.9177.8-178.3-89.5000111.2E165 K166 T171 I172 E173E165-Y169 WeakPolarHBondContact O-CB 3.24Å; E165-Y169 PolarHBondContact O-N 3.34Å; K166-Y169 PolarHBondContact O-N 2.98Å; Y169-T171 VanDerWaalsContact C-N 3.31Å; Y169-T171 PolarHBondContact O-N 3.43Å; Y169-I172 PolarHBondContact O-N 3.21Å; Y169-E173 WeakPolarHBondContact O-CB 3.38Å; Y169-E173 PolarHBondContact O-N 3.05Å
170M90.8Very high86.2Confident104 Ų10480.4 Ų80.451%0.51239%0.394SS..Hα-helixtrans-61.5-37.8175.3-69.6173.569.500112.6K166 L167 K168 E173 W174K166-M170 HydrophobicContact CD-SD 4.49Å; K166-M170 HydrophobicContact CG-SD 4.11Å; K166-M170 VanDerWaalsContact O-CG 3.27Å; K166-M170 WeakPolarHBondContact O-CG 3.42Å; K166-M170 PolarHBondContact O-N 2.69Å; L167-M170 PolarHBondContact O-N 2.9Å; K168-M170 VanDerWaalsContact C-N 3.33Å; K168-M170 PolarHBondContact O-N 3.48Å; M170-E173 PolarHBondContact O-N 3.27Å; M170-W174 WeakPolarHBondContact O-CB 3.45Å; M170-W174 PolarHBondContact O-N 2.97Å
171T89.2Confident84.5Confident29 Ų2981.2 Ų81.218%0.17840%0.402CS..Hα-helixtrans-71.5-40179.3-53.50000112.2L167 K168 Y169 E173 W174 N175 L192 Q196 C200L167-T171 WeakPolarHBondContact O-CB 3.41Å; L167-T171 PolarHBondContact O-N 3.1Å; L167-T171 PolarHBondContact O-OG1 2.64Å; K168-T171 PolarHBondContact O-N 3.22Å; K168-T171 VanDerWaalsContact O-N 3.14Å; Y169-T171 VanDerWaalsContact C-N 3.31Å; Y169-T171 PolarHBondContact O-N 3.43Å; T171-E173 VanDerWaalsContact C-N 3.33Å; T171-W174 PolarHBondContact O-N 2.99Å; T171-N175 VanDerWaalsContact O-CG 3.27Å; T171-N175 PolarHBondContact O-N 2.68Å; T171-L192 HydrophobicContact CG2-CD2 4.06Å; T171-Q196 HydrophobicContact CG2-CB 4.03Å; T171-Q196 HydrophobicContact CG2-CG 4.25Å; T171-C200 PolarHBondContact OG1-SG 3.49Å; T171-C200 VanDerWaalsContact OG1-SG 3.37Å
172I87.8Confident83Confident41 Ų4183.4 Ų83.421%0.2142%0.421CS..Hα-helixtrans-59.6-48.6172.4-70.9164000109.6K168 Y169 W174 N175 R176 L192K168-I172 WeakPolarHBondContact O-CG1 3.36Å; K168-I172 PolarHBondContact O-N 3.22Å; Y169-I172 PolarHBondContact O-N 3.21Å; I172-W174 VanDerWaalsContact C-N 3.31Å; I172-W174 PolarHBondContact O-N 3.01Å; I172-N175 WeakPolarHBondContact O-CB 3.47Å; I172-N175 PolarHBondContact O-N 3.12Å; I172-N175 VanDerWaalsContact O-N 3.17Å; I172-R176 HydrophobicContact CG2-CG 4.43Å; I172-R176 WeakPolarHBondContact O-CG 3.49Å; I172-R176 PolarHBondContact O-N 3.39Å; I172-L192 HydrophobicContact CD1-CD1 3.47Å; I172-L192 VanDerWaalsContact CD1-CD1 3.47Å; I172-L192 HydrophobicContact CG1-CD1 3.37Å; I172-L192 HydrophobicContact CG1-CG 4.05Å
173E86.3Confident81.2Confident64 Ų6484.9 Ų84.930%0.29943%0.425SS..Hα-helixtrans-62.4-39.8179.8-172.154.2-150.900111.7Y169 M170 T171 R176 N177Y169-E173 WeakPolarHBondContact O-CB 3.38Å; Y169-E173 PolarHBondContact O-N 3.05Å; M170-E173 PolarHBondContact O-N 3.27Å; T171-E173 VanDerWaalsContact C-N 3.33Å; E173-R176 PolarHBondContact O-N 2.83Å; E173-R176 IonicContact OE2-NH1 3.32Å; E173-N177 WeakPolarHBondContact O-CB 3.1Å; E173-N177 PolarHBondContact O-N 2.9Å; E173-N177 PolarHBondContact O-ND2 3.35Å; E173-N177 PolarHBondContact OE1-ND2 3.47Å
174W85.9Confident79.4Confident159 Ų15989.9 Ų89.960%0.60245%0.451SS*.Hα-helixtrans-64.4-40.9173.7-178.177.1000112.9M170 T171 I172 N177 S178M170-W174 WeakPolarHBondContact O-CB 3.45Å; M170-W174 PolarHBondContact O-N 2.97Å; T171-W174 PolarHBondContact O-N 2.99Å; I172-W174 VanDerWaalsContact C-N 3.31Å; I172-W174 PolarHBondContact O-N 3.01Å; W174-N177 PolarHBondContact O-N 3.45Å; W174-S178 WeakPolarHBondContact O-CB 3.15Å; W174-S178 PolarHBondContact O-N 3.4Å; W174-S178 PolarHBondContact O-OG 3.26Å
175N84.7Confident77.8Confident21 Ų2191.2 Ų91.211%0.11247%0.468CS..Hα-helixtrans-62.3-44.4174.6-72.9-16.8000111.3T171 I172 S178 I179 Q196T171-N175 VanDerWaalsContact O-CG 3.27Å; T171-N175 PolarHBondContact O-N 2.68Å; I172-N175 WeakPolarHBondContact O-CB 3.47Å; I172-N175 PolarHBondContact O-N 3.12Å; I172-N175 VanDerWaalsContact O-N 3.17Å; N175-S178 PolarHBondContact O-N 3.36Å; N175-I179 VanDerWaalsContact O-CG1 3.26Å; N175-I179 WeakPolarHBondContact O-CG1 3.12Å; N175-I179 PolarHBondContact O-N 2.99Å; N175-Q196 PolarHBondContact ND2-NE2 3.01Å; N175-Q196 PolarHBondContact ND2-OE1 3.33Å; N175-Q196 PolarHBondContact OD1-NE2 2.82Å
176R81Confident76.2Confident104 Ų10489.5 Ų89.539%0.39246%0.462SS..Hα-helixtrans-59.3-49177.1-71.2175.877.2-167.16.2111.5I172 E173 S178 I179 G180 A189I172-R176 HydrophobicContact CG2-CG 4.43Å; I172-R176 WeakPolarHBondContact O-CG 3.49Å; I172-R176 PolarHBondContact O-N 3.39Å; E173-R176 PolarHBondContact O-N 2.83Å; E173-R176 IonicContact OE2-NH1 3.32Å; R176-S178 VanDerWaalsContact C-N 3.27Å; R176-S178 PolarHBondContact O-N 3.05Å; R176-I179 PolarHBondContact O-N 2.87Å; R176-G180 PolarHBondContact O-N 3.22Å; R176-A189 HydrophobicContact CG-CB 4.01Å
177N80.9Confident74.5Confident111 Ų11187.2 Ų87.259%0.59446%0.46SS*.Hα-helixtrans-64.3-30.9177.8-72.5-52000112.9E173 W174E173-N177 WeakPolarHBondContact O-CB 3.1Å; E173-N177 PolarHBondContact O-N 2.9Å; E173-N177 PolarHBondContact O-ND2 3.35Å; E173-N177 PolarHBondContact OE1-ND2 3.47Å; W174-N177 PolarHBondContact O-N 3.45Å
178S76.4Confident72.8Confident71 Ų7189.1 Ų89.150%0.49747%0.474SS..Hα-helixtrans-79.4-31179.9-58.90000113.7W174 N175 R176 G180W174-S178 WeakPolarHBondContact O-CB 3.15Å; W174-S178 PolarHBondContact O-N 3.4Å; W174-S178 PolarHBondContact O-OG 3.26Å; N175-S178 PolarHBondContact O-N 3.36Å; R176-S178 VanDerWaalsContact C-N 3.27Å; R176-S178 PolarHBondContact O-N 3.05Å; S178-G180 VanDerWaalsContact C-N 3.31Å
179I70.7Confident71.1Confident97 Ų9787.4 Ų87.450%0.49747%0.468SS..Hα-helixtrans-78.8-19.7179.5-63.6166.3000110.8N175 R176 T181N175-I179 VanDerWaalsContact O-CG1 3.26Å; N175-I179 WeakPolarHBondContact O-CG1 3.12Å; N175-I179 PolarHBondContact O-N 2.99Å; R176-I179 PolarHBondContact O-N 2.87Å; I179-T181 HydrophobicContact CG2-CG2 4Å; I179-T181 VanDerWaalsContact CG2-OG1 3.28Å; I179-T181 WeakPolarHBondContact CG2-OG1 3.4Å; I179-T181 PolarHBondContact O-N 3.34Å
180G64Low69.8Low67 Ų6784 Ų8469%0.69147%0.466SS*.THydrogen-bonded Turntrans68.513.4176.600000113.9R176 S178R176-G180 PolarHBondContact O-N 3.22Å; S178-G180 VanDerWaalsContact C-N 3.31Å
181T58.1Low68.9Low59 Ų5985.2 Ų85.236%0.36247%0.47SS..  trans-97.6106.8175.746.80000109.8I179 D183I179-T181 HydrophobicContact CG2-CG2 4Å; I179-T181 VanDerWaalsContact CG2-OG1 3.28Å; I179-T181 WeakPolarHBondContact CG2-OG1 3.4Å; I179-T181 PolarHBondContact O-N 3.34Å; T181-D183 PolarHBondContact O-N 3.41Å
182D56.9Low68.4Low162 Ų16285.3 Ų85.387%0.86647%0.47SS*.  trans-67.20.2161.5-79.9-30.4000112.5I184D182-I184 PolarHBondContact O-N 2.92Å
183D53.6Low68.2Low101 Ų10191.8 Ų91.854%0.5449%0.491SS..  trans-7498.8178.1-149.8-16.4000110.2T181 T185 D186T181-D183 PolarHBondContact O-N 3.41Å; D183-T185 PolarHBondContact O-N 3.46Å; D183-T185 PolarHBondContact OD1-OG1 2.85Å; D183-T185 PolarHBondContact OD2-OG1 3.23Å; D183-D186 PolarHBondContact O-N 2.97Å
184I55.4Low68Low149 Ų14991.2 Ų91.276%0.76450%0.497SS*.THydrogen-bonded Turntrans-55.4-12.2176.5-67.3167.1000112D182D182-I184 PolarHBondContact O-N 2.92Å
185T56.6Low67.8Low105 Ų10590.1 Ų90.164%0.64449%0.493SS*.THydrogen-bonded Turntrans-87.6-10.6-173.656.20000116D183 P187D183-T185 PolarHBondContact O-N 3.46Å; D183-T185 PolarHBondContact OD1-OG1 2.85Å; D183-T185 PolarHBondContact OD2-OG1 3.23Å; T185-P187 WeakPolarHBondContact O-CD 3.33Å
186D54.8Low67.9Low76 Ų7689.7 Ų89.741%0.40649%0.49SS..  trans-80.9105.6180-156.5-25.8000111.3D183 T188 A189D183-D186 PolarHBondContact O-N 2.97Å; D186-T188 PolarHBondContact O-N 2.91Å; D186-T188 VanDerWaalsContact O-N 3.09Å; D186-T188 WeakPolarHBondContact OD1-CB 3.5Å; D186-T188 PolarHBondContact OD1-N 2.86Å; D186-T188 VanDerWaalsContact OD1-N 3.11Å; D186-T188 PolarHBondContact OD1-OG1 3.47Å; D186-T188 PolarHBondContact OD2-OG1 2.87Å; D186-A189 PolarHBondContact O-N 3.46Å; D186-A189 VanDerWaalsContact O-N 3.17Å
187P57.8Low68.2Low78 Ų7886.6 Ų86.651%0.50649%0.485SS..Hα-helixtrans-61-22.2179.326.7-35.1000111.9T185 A189 S190 Q191T185-P187 WeakPolarHBondContact O-CD 3.33Å; P187-A189 VanDerWaalsContact C-N 3.32Å; P187-A189 PolarHBondContact O-N 2.91Å; P187-S190 PolarHBondContact O-N 2.89Å; P187-S190 PolarHBondContact O-OG 3.23Å; P187-Q191 WeakPolarHBondContact O-CG 3.37Å; P187-Q191 PolarHBondContact O-N 3.32Å
188T57.3Low68.4Low81 Ų8182.1 Ų82.150%0.49746%0.463SS..Hα-helixtrans-68-28.8179.559.90000113.2D186 S190 Q191D186-T188 PolarHBondContact O-N 2.91Å; D186-T188 VanDerWaalsContact O-N 3.09Å; D186-T188 WeakPolarHBondContact OD1-CB 3.5Å; D186-T188 PolarHBondContact OD1-N 2.86Å; D186-T188 VanDerWaalsContact OD1-N 3.11Å; D186-T188 PolarHBondContact OD1-OG1 3.47Å; D186-T188 PolarHBondContact OD2-OG1 2.87Å; T188-S190 VanDerWaalsContact C-N 3.27Å; T188-S190 PolarHBondContact O-N 2.87Å; T188-Q191 PolarHBondContact O-N 3.31Å
189A55.7Low69Low11 Ų1183.9 Ų83.99%0.09147%0.465CS..Hα-helixtrans-67.8-29.7176.700000112.2R176 D186 P187R176-A189 HydrophobicContact CG-CB 4.01Å; D186-A189 PolarHBondContact O-N 3.46Å; D186-A189 VanDerWaalsContact O-N 3.17Å; P187-A189 VanDerWaalsContact C-N 3.32Å; P187-A189 PolarHBondContact O-N 2.91Å
190S61.8Low70Confident74 Ų7479.5 Ų79.552%0.51744%0.443SS..Hα-helixtrans-80.8-15.1175.774.90000113.8P187 T188P187-S190 PolarHBondContact O-N 2.89Å; P187-S190 PolarHBondContact O-OG 3.23Å; T188-S190 VanDerWaalsContact C-N 3.27Å; T188-S190 PolarHBondContact O-N 2.87Å
191Q73Confident71.2Confident129 Ų12977.2 Ų77.260%0.60342%0.42SS*.SBendtrans-97.3113.4-176.8-70.7-179.6-000110.8P187 T188P187-Q191 WeakPolarHBondContact O-CG 3.37Å; P187-Q191 PolarHBondContact O-N 3.32Å; T188-Q191 PolarHBondContact O-N 3.31Å
192L78.8Confident72.8Confident32 Ų3275.6 Ų75.617%0.16841%0.41CS..  trans-69.1135.4169.7-72.291.2000110K168 T171 I172 Q196 S197K168-L192 HydrophobicContact CB-CD1 4.21Å; K168-L192 HydrophobicContact CB-CD2 4.17Å; K168-L192 HydrophobicContact CD-CD1 4.42Å; K168-L192 HydrophobicContact CG-CD1 4.3Å; K168-L192 HydrophobicContact CG-CD2 3.88Å; T171-L192 HydrophobicContact CG2-CD2 4.06Å; I172-L192 HydrophobicContact CD1-CD1 3.47Å; I172-L192 VanDerWaalsContact CD1-CD1 3.47Å; I172-L192 HydrophobicContact CG1-CD1 3.37Å; I172-L192 HydrophobicContact CG1-CG 4.05Å; L192-Q196 HydrophobicContact CB-CB 4.29Å; L192-Q196 HydrophobicContact CD2-CB 4.13Å; L192-S197 VanDerWaalsContact CB-OG 3.23Å; L192-S197 WeakPolarHBondContact CB-OG 3.27Å
193R82.7Confident74.4Confident177 Ų17772.4 Ų72.467%0.66839%0.393SS*.  trans-61.4151.7166.7-62.4-177.9178.5-153.12.5109.8W195 Q196 S197R193-W195 HydrophobicContact CB-CG 4.45Å; R193-W195 PolarHBondContact O-N 3.47Å; R193-Q196 HydrophobicContact CB-CG 4.29Å; R193-Q196 WeakPolarHBondContact O-CB 3.26Å; R193-Q196 PolarHBondContact O-N 3.36Å; R193-S197 PolarHBondContact O-N 3.26Å
194A81.6Confident76.4Confident51 Ų5167.6 Ų67.642%0.42137%0.367SS..Hα-helixtrans-51.7-43.8-179.500000112.4Q196 S197 A198 L271A194-Q196 PolarHBondContact O-N 2.95Å; A194-S197 PolarHBondContact O-N 2.97Å; A194-A198 PolarHBondContact O-N 3.44Å; A194-L271 WeakPolarHBondContact O-CD1 3.33Å
195W81.5Confident78.1Confident137 Ų13760.6 Ų60.652%0.51933%0.331SS..Hα-helixtrans-65.1-35.8177.874.6-92.6000113.6R193 A198 M199R193-W195 HydrophobicContact CB-CG 4.45Å; R193-W195 PolarHBondContact O-N 3.47Å; W195-A198 WeakPolarHBondContact O-CB 3.33Å; W195-A198 PolarHBondContact O-N 3.37Å; W195-M199 HydrophobicContact CE3-CG 4.4Å; W195-M199 HydrophobicContact CE3-SD 3.55Å; W195-M199 VanDerWaalsContact CE3-SD 3.55Å; W195-M199 HydrophobicContact CZ3-SD 3.47Å; W195-M199 WeakPolarHBondContact CZ3-SD 3.37Å; W195-M199 WeakPolarHBondContact O-CG 3.28Å; W195-M199 PolarHBondContact O-N 3.35Å
196Q88.2Confident79.8Confident11 Ų1157.1 Ų57.15%0.05131%0.31CS..Hα-helixtrans-68.3-44.5176.9-68.2-178-4200110.7T171 N175 L192 R193 A194 A198 M199 C200T171-Q196 HydrophobicContact CG2-CB 4.03Å; T171-Q196 HydrophobicContact CG2-CG 4.25Å; N175-Q196 PolarHBondContact ND2-NE2 3.01Å; N175-Q196 PolarHBondContact ND2-OE1 3.33Å; N175-Q196 PolarHBondContact OD1-NE2 2.82Å; L192-Q196 HydrophobicContact CB-CB 4.29Å; L192-Q196 HydrophobicContact CD2-CB 4.13Å; R193-Q196 HydrophobicContact CB-CG 4.29Å; R193-Q196 WeakPolarHBondContact O-CB 3.26Å; R193-Q196 PolarHBondContact O-N 3.36Å; A194-Q196 PolarHBondContact O-N 2.95Å; Q196-A198 VanDerWaalsContact C-N 3.26Å; Q196-A198 PolarHBondContact O-N 2.86Å; Q196-M199 PolarHBondContact O-N 3.41Å; Q196-C200 PolarHBondContact O-N 3.47Å; Q196-C200 PolarHBondContact O-SG 2.76Å
197S86.3Confident81.7Confident39 Ų3957.4 Ų57.427%0.27331%0.311SS..Hα-helixtrans-60.5-38.2173.2-65.90000111.6L192 R193 A194 C200 G201L192-S197 VanDerWaalsContact CB-OG 3.23Å; L192-S197 WeakPolarHBondContact CB-OG 3.27Å; R193-S197 PolarHBondContact O-N 3.26Å; A194-S197 PolarHBondContact O-N 2.97Å; S197-C200 PolarHBondContact O-N 3.08Å; S197-G201 PolarHBondContact O-N 2.72Å
198A86.2Confident83.4Confident18 Ų1853.7 Ų53.715%0.14929%0.287CS..Hα-helixtrans-56.5-53.4172.500000111.6A194 W195 Q196 C200 G201 C202 L271A194-A198 PolarHBondContact O-N 3.44Å; W195-A198 WeakPolarHBondContact O-CB 3.33Å; W195-A198 PolarHBondContact O-N 3.37Å; Q196-A198 VanDerWaalsContact C-N 3.26Å; Q196-A198 PolarHBondContact O-N 2.86Å; A198-C200 VanDerWaalsContact C-N 3.31Å; A198-C200 PolarHBondContact O-N 2.85Å; A198-G201 CarbonylContact O-C 3.52Å; A198-G201 WeakPolarHBondContact O-CA 3.29Å; A198-G201 PolarHBondContact O-N 2.95Å; A198-C202 WeakPolarHBondContact O-CB 3.15Å; A198-C202 PolarHBondContact O-N 3.13Å; A198-C202 PolarHBondContact O-SG 3.5Å; A198-L271 HydrophobicContact CB-CD1 3.06Å; A198-L271 HydrophobicContact CB-CG 4.4Å
199M88.5Confident85.1Confident108 Ų10849.9 Ų49.953%0.53226%0.263SS..Hα-helixtrans-62.7-41.7-176-71.5-176.673.400111.2W195 Q196 G201 C202 L203W195-M199 HydrophobicContact CE3-CG 4.4Å; W195-M199 HydrophobicContact CE3-SD 3.55Å; W195-M199 VanDerWaalsContact CE3-SD 3.55Å; W195-M199 HydrophobicContact CZ3-SD 3.47Å; W195-M199 WeakPolarHBondContact CZ3-SD 3.37Å; W195-M199 WeakPolarHBondContact O-CG 3.28Å; W195-M199 PolarHBondContact O-N 3.35Å; Q196-M199 PolarHBondContact O-N 3.41Å; M199-G201 VanDerWaalsContact C-N 3.31Å; M199-G201 PolarHBondContact O-N 2.84Å; M199-C202 PolarHBondContact O-N 2.85Å; M199-L203 WeakPolarHBondContact O-CB 3.3Å; M199-L203 VanDerWaalsContact O-CG 3.31Å; M199-L203 WeakPolarHBondContact O-CG 3.44Å; M199-L203 PolarHBondContact O-N 3.19Å
200C91.2Very high86.9Confident4 Ų450.6 Ų50.63%0.02727%0.27CS..Hα-helixtrans-58.1-45.7172.3-63.10000111.1L167 K168 T171 Q196 S197 A198 A204L167-C200 HydrophobicContact CB-CB 3.89Å; L167-C200 WeakPolarHBondContact CD1-O 3.35Å; K168-C200 HydrophobicContact CG-CB 4.25Å; T171-C200 PolarHBondContact OG1-SG 3.49Å; T171-C200 VanDerWaalsContact OG1-SG 3.37Å; Q196-C200 PolarHBondContact O-N 3.47Å; Q196-C200 PolarHBondContact O-SG 2.76Å; S197-C200 PolarHBondContact O-N 3.08Å; A198-C200 VanDerWaalsContact C-N 3.31Å; A198-C200 PolarHBondContact O-N 2.85Å; C200-A204 WeakPolarHBondContact O-CB 3.38Å; C200-A204 PolarHBondContact O-N 3.46Å
201G89.8Confident88.4Confident20 Ų2051.3 Ų51.321%0.20627%0.271CS..Hα-helixtrans-65.1-42.6178.800000113.3S197 A198 M199 G205S197-G201 PolarHBondContact O-N 2.72Å; A198-G201 CarbonylContact O-C 3.52Å; A198-G201 WeakPolarHBondContact O-CA 3.29Å; A198-G201 PolarHBondContact O-N 2.95Å; M199-G201 VanDerWaalsContact C-N 3.31Å; M199-G201 PolarHBondContact O-N 2.84Å; G201-G205 WeakPolarHBondContact O-CA 3.13Å; G201-G205 PolarHBondContact O-N 2.92Å
202C90.3Very high89.4Confident24 Ų2445.2 Ų45.216%0.16224%0.242CC..Hα-helixtrans-66.1-44.2178.3-69.10000111.5A198 M199 T206A198-C202 WeakPolarHBondContact O-CB 3.15Å; A198-C202 PolarHBondContact O-N 3.13Å; A198-C202 PolarHBondContact O-SG 3.5Å; M199-C202 PolarHBondContact O-N 2.85Å; C202-T206 WeakPolarHBondContact O-CB 3.18Å; C202-T206 PolarHBondContact O-N 3.49Å; C202-T206 PolarHBondContact O-OG1 3.29Å
203L92.3Very high90.2Very high95 Ų9543.7 Ų43.750%0.49723%0.234SC..Hα-helixtrans-65.5-48.7176.8-72.4172.2000111.2L167 M199 G205 T206 I207L167-L203 HydrophobicContact CD1-CB 3.77Å; L167-L203 HydrophobicContact CD1-CD1 4.49Å; M199-L203 WeakPolarHBondContact O-CB 3.3Å; M199-L203 VanDerWaalsContact O-CG 3.31Å; M199-L203 WeakPolarHBondContact O-CG 3.44Å; M199-L203 PolarHBondContact O-N 3.19Å; L203-G205 PolarHBondContact O-N 3.4Å; L203-T206 PolarHBondContact O-N 2.86Å; L203-I207 WeakPolarHBondContact O-CG1 3.39Å; L203-I207 PolarHBondContact O-N 3.37Å
204A93.6Very high90.7Very high0 Ų036 Ų360%021%0.207CC..Hα-helixtrans-60.2-45.4176.500000112Q160 I163 W164 L167 C200 I207 A208Q160-A204 HydrophobicContact CG-CB 4.13Å; I163-A204 HydrophobicContact CB-CB 3.99Å; I163-A204 HydrophobicContact CG2-CB 3.73Å; W164-A204 HydrophobicContact CB-CB 3.79Å; L167-A204 HydrophobicContact CD1-CB 4.35Å; C200-A204 WeakPolarHBondContact O-CB 3.38Å; C200-A204 PolarHBondContact O-N 3.46Å; A204-I207 PolarHBondContact O-N 3.46Å; A204-A208 VanDerWaalsContact O-CB 3.3Å; A204-A208 WeakPolarHBondContact O-CB 3.43Å; A204-A208 PolarHBondContact O-N 3.36Å
205G92.1Very high91.3Very high2 Ų235.3 Ų35.32%0.02120%0.196CC..Hα-helixtrans-63-41177.100000112.2G201 L203 G209 L263G201-G205 WeakPolarHBondContact O-CA 3.13Å; G201-G205 PolarHBondContact O-N 2.92Å; L203-G205 PolarHBondContact O-N 3.4Å; G205-G209 WeakPolarHBondContact O-CA 3.25Å; G205-G209 PolarHBondContact O-N 3.02Å; G205-L263 WeakPolarHBondContact O-CD1 3.39Å
206T92.6Very high91.8Very high32 Ų3229.1 Ų29.120%0.19617%0.173CC..Hα-helixtrans-62.8-46.2176.8-66.50000111.5C202 L203 G209 A210 I260 S264C202-T206 WeakPolarHBondContact O-CB 3.18Å; C202-T206 PolarHBondContact O-N 3.49Å; C202-T206 PolarHBondContact O-OG1 3.29Å; L203-T206 PolarHBondContact O-N 2.86Å; T206-G209 PolarHBondContact O-N 2.91Å; T206-A210 WeakPolarHBondContact O-CB 3.28Å; T206-A210 PolarHBondContact O-N 3.3Å; T206-I260 HydrophobicContact CG2-CB 4.47Å; T206-I260 HydrophobicContact CG2-CD1 4.16Å; T206-I260 HydrophobicContact CG2-CG1 4.05Å; T206-I260 HydrophobicContact CG2-CG2 3.71Å; T206-S264 PolarHBondContact OG1-OG 2.98Å
207I94Very high92Very high83 Ų8328.8 Ų28.843%0.42617%0.172SC..Hα-helixtrans-65.1-51.2178.6-64.3164.2000110.3I163 L203 A204 G209 A210 V211I163-I207 HydrophobicContact CD1-CB 4.1Å; I163-I207 HydrophobicContact CD1-CG2 3.62Å; I163-I207 HydrophobicContact CG2-CD1 4.23Å; L203-I207 WeakPolarHBondContact O-CG1 3.39Å; L203-I207 PolarHBondContact O-N 3.37Å; A204-I207 PolarHBondContact O-N 3.46Å; I207-G209 VanDerWaalsContact C-N 3.26Å; I207-G209 PolarHBondContact O-N 3.42Å; I207-A210 PolarHBondContact O-N 3.42Å; I207-V211 WeakPolarHBondContact O-CG2 3.24Å; I207-V211 PolarHBondContact O-N 3.49Å
208A94.2Very high92.3Very high0 Ų026.9 Ų26.90%016%0.159CC..Hα-helixtrans-60.2-39.2177.200000111.9F156 I159 Q160 A204 V211 T212F156-A208 HydrophobicContact CD2-CB 3.72Å; F156-A208 HydrophobicContact CE2-CB 3.76Å; F156-A208 HydrophobicContact CG-CB 4.5Å; I159-A208 HydrophobicContact CB-CB 3.99Å; I159-A208 HydrophobicContact CG2-CB 3.76Å; Q160-A208 HydrophobicContact CB-CB 3.8Å; A204-A208 VanDerWaalsContact O-CB 3.3Å; A204-A208 WeakPolarHBondContact O-CB 3.43Å; A204-A208 PolarHBondContact O-N 3.36Å; A208-V211 PolarHBondContact O-N 3.07Å; A208-T212 WeakPolarHBondContact O-CB 3.37Å; A208-T212 WeakPolarHBondContact O-CG2 3.25Å; A208-T212 PolarHBondContact O-N 3.27Å; A208-T212 PolarHBondContact O-OG1 3.49Å
209G92.8Very high92.7Very high0 Ų026.2 Ų26.20%015%0.152CC..Hα-helixtrans-63.4-45.5177.600000112.1G205 T206 I207 T212 T213 R259G205-G209 WeakPolarHBondContact O-CA 3.25Å; G205-G209 PolarHBondContact O-N 3.02Å; T206-G209 PolarHBondContact O-N 2.91Å; I207-G209 VanDerWaalsContact C-N 3.26Å; I207-G209 PolarHBondContact O-N 3.42Å; G209-T212 CarbonylContact O-C 3.53Å; G209-T212 PolarHBondContact O-N 2.84Å; G209-T213 PolarHBondContact O-N 3.45Å; G209-T213 PolarHBondContact O-OG1 2.87Å; G209-R259 PolarHBondContact O-NH1 3.5Å
210A93.4Very high92.8Very high27 Ų2721.1 Ų21.122%0.22313%0.127CC..Hα-helixtrans-61.2-48.7175.900000111.5T206 I207 T212 T213 F253 L256T206-A210 WeakPolarHBondContact O-CB 3.28Å; T206-A210 PolarHBondContact O-N 3.3Å; I207-A210 PolarHBondContact O-N 3.42Å; A210-T212 VanDerWaalsContact C-N 3.31Å; A210-T212 PolarHBondContact O-N 3.37Å; A210-T213 WeakPolarHBondContact O-CB 3.31Å; A210-T213 PolarHBondContact O-N 3.29Å; A210-T213 PolarHBondContact O-OG1 3.1Å; A210-F253 WeakPolarHBondContact O-CE1 3.29Å; A210-L256 HydrophobicContact CB-CD1 3.92Å
211V93.9Very high92.8Very high89 Ų8922 Ų2254%0.53913%0.13SC..Hα-helixtrans-62.9-37.7179.9175.80000111.9I159 I207 A208I159-V211 HydrophobicContact CD1-CB 4.14Å; I159-V211 HydrophobicContact CD1-CG1 3.64Å; I207-V211 WeakPolarHBondContact O-CG2 3.24Å; I207-V211 PolarHBondContact O-N 3.49Å; A208-V211 PolarHBondContact O-N 3.07Å
212T94.1Very high92.9Very high1 Ų121 Ų211%0.00612%0.12CC..THydrogen-bonded Turntrans-94.512.3-179.160.80000113.6P155 F156 I159 A208 G209 A210 L215 D216 R259P155-T212 HydrophobicContact CB-CG2 4.06Å; F156-T212 HydrophobicContact CB-CG2 4.15Å; I159-T212 HydrophobicContact CD1-CG2 4.24Å; A208-T212 WeakPolarHBondContact O-CB 3.37Å; A208-T212 WeakPolarHBondContact O-CG2 3.25Å; A208-T212 PolarHBondContact O-N 3.27Å; A208-T212 PolarHBondContact O-OG1 3.49Å; G209-T212 CarbonylContact O-C 3.53Å; G209-T212 PolarHBondContact O-N 2.84Å; A210-T212 VanDerWaalsContact C-N 3.31Å; A210-T212 PolarHBondContact O-N 3.37Å; T212-L215 HydrophobicContact CG2-CD1 4.48Å; T212-L215 PolarHBondContact O-N 3.39Å; T212-D216 PolarHBondContact O-N 2.83Å; T212-R259 VanDerWaalsContact C-NH1 3.33Å; T212-R259 PolarHBondContact O-NH1 3.38Å; T212-R259 PolarHBondContact OG1-NH2 2.94Å
213T94Very high93Very high0 Ų019.9 Ų19.90%011%0.112CC..Hα-helixtrans-62-45.4175.6-66.70000112.4G209 A210 L215 D216 V217 F253 L256 R259G209-T213 PolarHBondContact O-N 3.45Å; G209-T213 PolarHBondContact O-OG1 2.87Å; A210-T213 WeakPolarHBondContact O-CB 3.31Å; A210-T213 PolarHBondContact O-N 3.29Å; A210-T213 PolarHBondContact O-OG1 3.1Å; T213-L215 VanDerWaalsContact C-N 3.25Å; T213-L215 PolarHBondContact O-N 2.89Å; T213-D216 WeakPolarHBondContact O-CA 3.28Å; T213-D216 WeakPolarHBondContact O-CB 3.14Å; T213-D216 PolarHBondContact O-N 3.33Å; T213-V217 HydrophobicContact CG2-CG2 4.29Å; T213-V217 WeakPolarHBondContact O-CG2 3.34Å; T213-V217 PolarHBondContact O-N 3.46Å; T213-F253 HydrophobicContact CG2-CD1 4.25Å; T213-L256 HydrophobicContact CG2-CB 4.31Å; T213-L256 HydrophobicContact CG2-CD1 4.39Å; T213-L256 WeakPolarHBondContact OG1-CD1 3.44Å; T213-R259 VanDerWaalsContact CA-NH1 3.34Å
214P93.9Very high92.9Very high16 Ų1617 Ų1710%0.10410%0.097CC..Hα-helixtrans-56.5-36.6177.7-28.137000114.4D216 A218 M240 L252 F253P214-D216 VanDerWaalsContact C-N 3.35Å; P214-A218 WeakPolarHBondContact O-CB 3.39Å; P214-A218 PolarHBondContact O-N 2.9Å; P214-M240 HydrophobicContact CB-CE 3.81Å; P214-L252 VanDerWaalsContact CA-O 3.27Å; P214-L252 WeakPolarHBondContact CA-O 3.32Å; P214-L252 HydrophobicContact CB-CB 4.22Å; P214-L252 HydrophobicContact CB-CD2 4.36Å; P214-L252 HydrophobicContact CG-CB 4.31Å; P214-F253 HydrophobicContact CG-CE1 4.3Å; P214-F253 HydrophobicContact CG-CE2 4.14Å; P214-F253 HydrophobicContact CG-CZ 3.96Å
215L93.9Very high92.6Very high36 Ų3617.5 Ų17.519%0.18810%0.102CC..Hα-helixtrans-69.9-33.4176.6-68.5166000112.2S151 R152 P155 T212 T213 K219 I236 M240S151-L215 WeakPolarHBondContact O-CD1 3.27Å; R152-L215 HydrophobicContact CB-CB 4.32Å; R152-L215 HydrophobicContact CG-CB 4.42Å; P155-L215 HydrophobicContact CG-CD1 4.31Å; T212-L215 HydrophobicContact CG2-CD1 4.48Å; T212-L215 PolarHBondContact O-N 3.39Å; T213-L215 VanDerWaalsContact C-N 3.25Å; T213-L215 PolarHBondContact O-N 2.89Å; L215-K219 WeakPolarHBondContact O-CB 3.15Å; L215-K219 PolarHBondContact O-N 3.44Å; L215-I236 HydrophobicContact CD2-CG2 3.84Å; L215-M240 HydrophobicContact CD2-SD 4.01Å
216D92.8Very high92.3Very high7 Ų724.4 Ų24.44%0.03713%0.133CC..Hα-helixtrans-72.2-41.3177-168.248.7000111.6Q38 R152 T212 T213 P214 A218 K219 T220 R259Q38-D216 PolarHBondContact NE2-OD2 3.23Å; R152-D216 VanDerWaalsContact CD-OD1 3.28Å; R152-D216 WeakPolarHBondContact CD-OD1 3.3Å; R152-D216 HydrophobicContact CG-CB 4.42Å; T212-D216 PolarHBondContact O-N 2.83Å; T213-D216 WeakPolarHBondContact O-CA 3.28Å; T213-D216 WeakPolarHBondContact O-CB 3.14Å; T213-D216 PolarHBondContact O-N 3.33Å; P214-D216 VanDerWaalsContact C-N 3.35Å; D216-A218 VanDerWaalsContact C-N 3.33Å; D216-A218 PolarHBondContact O-N 3Å; D216-K219 WeakPolarHBondContact O-CB 3.46Å; D216-K219 PolarHBondContact O-N 2.94Å; D216-T220 WeakPolarHBondContact O-CB 3.34Å; D216-T220 PolarHBondContact O-N 3.35Å; D216-T220 PolarHBondContact O-OG1 2.7Å; D216-T220 VanDerWaalsContact O-OG1 3.1Å; D216-R259 IonicContact OD2-NH1 2.69Å; D216-R259 PolarHBondContact OD2-NH1 2.97Å
217V92.5Very high91.5Very high3 Ų325.5 Ų25.52%0.01814%0.141CC..Hα-helixtrans-60.1-46.2171.2-171.90000110.4Q38 T213 K219 T220 R221 I243 L252 S254Q38-V217 HydrophobicContact CB-CG1 4.5Å; Q38-V217 HydrophobicContact CG-CG2 4.14Å; T213-V217 HydrophobicContact CG2-CG2 4.29Å; T213-V217 WeakPolarHBondContact O-CG2 3.34Å; T213-V217 PolarHBondContact O-N 3.46Å; V217-K219 PolarHBondContact O-N 2.81Å; V217-T220 PolarHBondContact O-N 3.17Å; V217-R221 HydrophobicContact CG1-CG 4.32Å; V217-R221 WeakPolarHBondContact O-CB 3.37Å; V217-R221 VanDerWaalsContact O-CG 3.29Å; V217-R221 WeakPolarHBondContact O-CG 3.49Å; V217-R221 PolarHBondContact O-N 2.95Å; V217-I243 HydrophobicContact CG1-CD1 4.02Å; V217-I243 HydrophobicContact CG1-CG2 4.39Å; V217-L252 VanDerWaalsContact CG2-O 3.28Å; V217-L252 WeakPolarHBondContact CG2-O 3.48Å; V217-S254 WeakPolarHBondContact CG2-O 3.24Å
218A93Very high90.9Very high0 Ų029.4 Ų29.40%016%0.163CC..Hα-helixtrans-60.5-43.917700000112P214 D216 R221 I222 I236 A239 M240 I243P214-A218 WeakPolarHBondContact O-CB 3.39Å; P214-A218 PolarHBondContact O-N 2.9Å; D216-A218 VanDerWaalsContact C-N 3.33Å; D216-A218 PolarHBondContact O-N 3Å; A218-R221 PolarHBondContact O-N 3.14Å; A218-I222 WeakPolarHBondContact O-CB 3.22Å; A218-I222 WeakPolarHBondContact O-CD1 3.35Å; A218-I222 VanDerWaalsContact O-CG1 3.23Å; A218-I222 WeakPolarHBondContact O-CG1 3.21Å; A218-I222 PolarHBondContact O-N 2.92Å; A218-I236 HydrophobicContact CB-CG2 4.24Å; A218-A239 HydrophobicContact CB-CB 4.15Å; A218-M240 HydrophobicContact CB-CG 3.78Å; A218-I243 HydrophobicContact CB-CD1 4.38Å
219K92.9Very high90.5Very high4 Ų431.1 Ų31.12%0.01718%0.175CC..Hα-helixtrans-56.1-53.3174.1174.3-165.7167.8-173.10110.8E112 T149 L215 D216 V217 R221 I222 M223E112-K219 IonicContact OE2-NZ 3.49Å; T149-K219 VanDerWaalsContact OG1-CE 3.28Å; T149-K219 WeakPolarHBondContact OG1-CE 3.5Å; L215-K219 WeakPolarHBondContact O-CB 3.15Å; L215-K219 PolarHBondContact O-N 3.44Å; D216-K219 WeakPolarHBondContact O-CB 3.46Å; D216-K219 PolarHBondContact O-N 2.94Å; V217-K219 PolarHBondContact O-N 2.81Å; K219-R221 VanDerWaalsContact C-N 3.35Å; K219-R221 PolarHBondContact O-N 3.37Å; K219-I222 PolarHBondContact O-N 2.87Å; K219-M223 HydrophobicContact CD-CE 4.36Å; K219-M223 HydrophobicContact CD-SD 4.39Å; K219-M223 WeakPolarHBondContact CE-SD 3.4Å; K219-M223 HydrophobicContact CG-CE 4.09Å; K219-M223 HydrophobicContact CG-CG 4.43Å; K219-M223 HydrophobicContact CG-SD 3.98Å; K219-M223 WeakPolarHBondContact O-CG 3.39Å; K219-M223 PolarHBondContact O-N 3.47Å
220T92Very high90Very high0 Ų036.2 Ų36.20%020%0.202CC..Hα-helixtrans-62-41.9-177.5-61.20000111.4T35 Q38 D216 V217 I222 M223 L224T35-T220 HydrophobicContact CG2-CG2 4.05Å; Q38-T220 HydrophobicContact CB-CG2 3.66Å; Q38-T220 PolarHBondContact OE1-OG1 2.91Å; D216-T220 WeakPolarHBondContact O-CB 3.34Å; D216-T220 PolarHBondContact O-N 3.35Å; D216-T220 PolarHBondContact O-OG1 2.7Å; D216-T220 VanDerWaalsContact O-OG1 3.1Å; V217-T220 PolarHBondContact O-N 3.17Å; T220-I222 PolarHBondContact O-N 2.87Å; T220-M223 PolarHBondContact O-N 3.46Å; T220-L224 HydrophobicContact CG2-CD1 3.7Å; T220-L224 HydrophobicContact CG2-CG 4.33Å; T220-L224 WeakPolarHBondContact O-CB 3.48Å; T220-L224 VanDerWaalsContact O-CG 3.24Å; T220-L224 WeakPolarHBondContact O-CG 3.3Å; T220-L224 PolarHBondContact O-N 3.2Å
221R91.2Very high89.5Confident22 Ų2236 Ų368%0.08320%0.196CC..Hα-helixtrans-63.9-38175.4-68.9-69.4-64-97.9-9112.9Q38 F40 V217 A218 K219 A225 F231 I243 E246Q38-R221 WeakPolarHBondContact O-CD 3.38Å; Q38-R221 WeakPolarHBondContact O-CG 3.31Å; F40-R221 VanDerWaalsContact CB-CZ 3.48Å; F40-R221 VanDerWaalsContact CD2-CZ 3.47Å; V217-R221 HydrophobicContact CG1-CG 4.32Å; V217-R221 WeakPolarHBondContact O-CB 3.37Å; V217-R221 VanDerWaalsContact O-CG 3.29Å; V217-R221 WeakPolarHBondContact O-CG 3.49Å; V217-R221 PolarHBondContact O-N 2.95Å; A218-R221 PolarHBondContact O-N 3.14Å; K219-R221 VanDerWaalsContact C-N 3.35Å; K219-R221 PolarHBondContact O-N 3.37Å; R221-A225 WeakPolarHBondContact O-CB 3.42Å; R221-A225 PolarHBondContact O-N 2.86Å; R221-A225 VanDerWaalsContact O-N 3.1Å; R221-F231 HydrophobicContact CB-CD1 4.18Å; R221-F231 HydrophobicContact CB-CE1 4.2Å; R221-I243 HydrophobicContact CB-CD1 4.28Å; R221-I243 HydrophobicContact CG-CD1 3.89Å; R221-I243 HydrophobicContact CG-CG1 4.24Å; R221-E246 IonicContact CZ-OE2 3.47Å; R221-E246 IonicContact NH1-OE2 3.51Å; R221-E246 PolarHBondContact NH1-OE2 3.42Å; R221-E246 IonicContact NH2-OE1 2.82Å; R221-E246 PolarHBondContact NH2-OE1 2.99Å; R221-E246 IonicContact NH2-OE2 3.63Å; R221-E246 PolarHBondContact NH2-OE2 3.31Å
222I92.4Very high88.8Confident0 Ų032.8 Ų32.80%018%0.178CC..Hα-helixtrans-67.8-44.3175.1-70.6165000111.1R144 A218 K219 T220 L224 A225 I236 A239R144-I222 VanDerWaalsContact CD-O 3.26Å; R144-I222 WeakPolarHBondContact CD-O 3.11Å; R144-I222 HydrophobicContact CG-CG2 4.15Å; R144-I222 WeakPolarHBondContact CG-O 3.33Å; A218-I222 WeakPolarHBondContact O-CB 3.22Å; A218-I222 WeakPolarHBondContact O-CD1 3.35Å; A218-I222 VanDerWaalsContact O-CG1 3.23Å; A218-I222 WeakPolarHBondContact O-CG1 3.21Å; A218-I222 PolarHBondContact O-N 2.92Å; K219-I222 PolarHBondContact O-N 2.87Å; T220-I222 PolarHBondContact O-N 2.87Å; I222-L224 VanDerWaalsContact C-N 3.31Å; I222-L224 PolarHBondContact O-N 3.23Å; I222-A225 VanDerWaalsContact O-CB 3.22Å; I222-A225 WeakPolarHBondContact O-CB 3.36Å; I222-A225 PolarHBondContact O-N 3.46Å; I222-I236 HydrophobicContact CD1-CG1 4.29Å; I222-A239 HydrophobicContact CD1-CB 3.96Å; I222-A239 HydrophobicContact CG1-CB 4.02Å
223M91.1Very high88.2Confident0 Ų035.8 Ų35.80%020%0.199CC..Hα-helixtrans-65.5-34.4-179.1-74.2-173.5162.300112.9V109 E112 V113 Q116 R117 R144 T149 K219 T220V109-M223 HydrophobicContact CG1-CE 4.24Å; E112-M223 HydrophobicContact CB-CE 4.37Å; V113-M223 HydrophobicContact CG2-CE 3.98Å; V113-M223 HydrophobicContact CG2-CG 4.11Å; V113-M223 HydrophobicContact CG2-SD 4.21Å; Q116-M223 VanDerWaalsContact CD-SD 3.57Å; Q116-M223 PolarHBondContact OE1-SD 3.49Å; Q116-M223 VanDerWaalsContact OE1-SD 3.36Å; R117-M223 PolarHBondContact NE-O 3.38Å; R144-M223 WeakPolarHBondContact O-CG 3.31Å; T149-M223 VanDerWaalsContact OG1-CE 3.23Å; T149-M223 WeakPolarHBondContact OG1-CE 3.25Å; K219-M223 HydrophobicContact CD-CE 4.36Å; K219-M223 HydrophobicContact CD-SD 4.39Å; K219-M223 WeakPolarHBondContact CE-SD 3.4Å; K219-M223 HydrophobicContact CG-CE 4.09Å; K219-M223 HydrophobicContact CG-CG 4.43Å; K219-M223 HydrophobicContact CG-SD 3.98Å; K219-M223 WeakPolarHBondContact O-CG 3.39Å; K219-M223 PolarHBondContact O-N 3.47Å; T220-M223 PolarHBondContact O-N 3.46Å
224L90.3Very high87.6Confident35 Ų3536.8 Ų36.818%0.18321%0.21CC..THydrogen-bonded Turntrans-89.8-2.7178.5-62.3178.8000113.9T35 Q116 R117 N120 T220 I222T35-L224 HydrophobicContact CG2-CD1 4.4Å; Q116-L224 HydrophobicContact CB-CD2 4.16Å; Q116-L224 WeakPolarHBondContact O-CD2 3.38Å; R117-L224 HydrophobicContact CG-CD2 4.16Å; N120-L224 HydrophobicContact CB-CD1 4Å; N120-L224 HydrophobicContact CB-CD2 3.63Å; N120-L224 HydrophobicContact CB-CG 4.46Å; T220-L224 HydrophobicContact CG2-CD1 3.7Å; T220-L224 HydrophobicContact CG2-CG 4.33Å; T220-L224 WeakPolarHBondContact O-CB 3.48Å; T220-L224 VanDerWaalsContact O-CG 3.24Å; T220-L224 WeakPolarHBondContact O-CG 3.3Å; T220-L224 PolarHBondContact O-N 3.2Å; I222-L224 VanDerWaalsContact C-N 3.31Å; I222-L224 PolarHBondContact O-N 3.23Å
225A87.7Confident87.4Confident11 Ų1141.9 Ų41.99%0.09123%0.232CC..  trans-64.3141.5-176.900000112.1R144 R221 I222 F231 A232R144-A225 PolarHBondContact NH1-O 3.06Å; R221-A225 WeakPolarHBondContact O-CB 3.42Å; R221-A225 PolarHBondContact O-N 2.86Å; R221-A225 VanDerWaalsContact O-N 3.1Å; I222-A225 VanDerWaalsContact O-CB 3.22Å; I222-A225 WeakPolarHBondContact O-CB 3.36Å; I222-A225 PolarHBondContact O-N 3.46Å; A225-F231 HydrophobicContact CB-CB 3.47Å; A225-F231 VanDerWaalsContact CB-CB 3.47Å; A225-A232 HydrophobicContact CB-CB 4.34Å
226E85Confident87.1Confident146 Ų14641.5 Ų41.568%0.68223%0.23SC*.  trans-68.1149172.1-65.9-175.9178.800111.4N228 S229 A232E226-N228 PolarHBondContact O-N 3.26Å; E226-N228 VanDerWaalsContact O-N 3.08Å; E226-S229 PolarHBondContact N-OG 3.03Å; E226-S229 WeakPolarHBondContact O-CB 3.45Å; E226-S229 PolarHBondContact O-N 2.75Å; E226-S229 PolarHBondContact O-OG 3.38Å; E226-A232 WeakPolarHBondContact O-CB 3.27Å
227P77.5Confident87.1Confident56 Ų5646.7 Ų46.736%0.36426%0.257SS..THydrogen-bonded Turntrans-54.6-32.4-173.4-25.533.2000116.6E137E137-P227 HydrophobicContact CG-CB 4.05Å; E137-P227 HydrophobicContact CG-CG 3.6Å
228N81.3Confident87Confident164 Ų16451 Ų5188%0.87727%0.273SS*.THydrogen-bonded Turntrans-985.1-177-60.3-33.6000113.1E226E226-N228 PolarHBondContact O-N 3.26Å; E226-N228 VanDerWaalsContact O-N 3.08Å
229S83.9Confident86.9Confident36 Ų3651 Ų5125%0.25227%0.273SS..SBendtrans-85.8151.8-179.671.60000111.6E226 F231 A232E226-S229 PolarHBondContact N-OG 3.03Å; E226-S229 WeakPolarHBondContact O-CB 3.45Å; E226-S229 PolarHBondContact O-N 2.75Å; E226-S229 PolarHBondContact O-OG 3.38Å; S229-F231 PolarHBondContact O-N 3.39Å; S229-F231 VanDerWaalsContact O-N 3.15Å; S229-A232 VanDerWaalsContact O-CB 3.27Å; S229-A232 WeakPolarHBondContact O-CB 3.3Å; S229-A232 PolarHBondContact O-N 2.79Å; S229-A232 PolarHBondContact OG-N 3.44Å
230N82.7Confident86.8Confident108 Ų10853.3 Ų53.358%0.57829%0.285SS*.G310 helixtrans-61.1-24.9174.9-68.4-42.8000112.7A232 S233 Y238N230-A232 VanDerWaalsContact C-N 3.27Å; N230-A232 PolarHBondContact O-N 3.4Å; N230-S233 VanDerWaalsContact O-CB 3.26Å; N230-S233 WeakPolarHBondContact O-CB 3.25Å; N230-S233 PolarHBondContact O-N 2.89Å; N230-S233 PolarHBondContact O-OG 2.94Å; N230-Y238 HydrophobicContact CB-CD1 4.36Å; N230-Y238 HydrophobicContact CB-CE1 3.4Å; N230-Y238 VanDerWaalsContact CB-CE1 3.4Å; N230-Y238 WeakPolarHBondContact CB-OH 3.16Å; N230-Y238 PolarHBondContact ND2-OH 2.94Å
231F82.5Confident86.9Confident23 Ų2361.4 Ų61.410%0.10132%0.315CS..G310 helixtrans-66.3-28.9173.8-74.8-88.5000112.7R221 A225 S229 S233 G234 A239 T242 I243R221-F231 HydrophobicContact CB-CD1 4.18Å; R221-F231 HydrophobicContact CB-CE1 4.2Å; A225-F231 HydrophobicContact CB-CB 3.47Å; A225-F231 VanDerWaalsContact CB-CB 3.47Å; S229-F231 PolarHBondContact O-N 3.39Å; S229-F231 VanDerWaalsContact O-N 3.15Å; F231-S233 PolarHBondContact O-N 3.39Å; F231-G234 PolarHBondContact O-N 3.34Å; F231-A239 HydrophobicContact CD1-CB 3.79Å; F231-A239 HydrophobicContact CE1-CB 3.81Å; F231-T242 HydrophobicContact CE2-CG2 3.77Å; F231-T242 HydrophobicContact CZ-CG2 3.46Å; F231-T242 VanDerWaalsContact CZ-CG2 3.46Å; F231-I243 HydrophobicContact CE1-CG1 4.38Å
232A80.5Confident86.9Confident20 Ų2061.1 Ų61.117%0.16532%0.316CS..G310 helixtrans-66.2-15.917600000113.4A225 E226 S229 N230 G234A225-A232 HydrophobicContact CB-CB 4.34Å; E226-A232 WeakPolarHBondContact O-CB 3.27Å; S229-A232 VanDerWaalsContact O-CB 3.27Å; S229-A232 WeakPolarHBondContact O-CB 3.3Å; S229-A232 PolarHBondContact O-N 2.79Å; S229-A232 PolarHBondContact OG-N 3.44Å; N230-A232 VanDerWaalsContact C-N 3.27Å; N230-A232 PolarHBondContact O-N 3.4Å; A232-G234 PolarHBondContact O-N 2.83Å
233S81.1Confident86.9Confident64 Ų6461.2 Ų61.245%0.44832%0.317SS..G310 helixtrans-66-17.3174.472.70000113.5N230 F231 H235N230-S233 VanDerWaalsContact O-CB 3.26Å; N230-S233 WeakPolarHBondContact O-CB 3.25Å; N230-S233 PolarHBondContact O-N 2.89Å; N230-S233 PolarHBondContact O-OG 2.94Å; F231-S233 PolarHBondContact O-N 3.39Å; S233-H235 VanDerWaalsContact C-N 3.28Å; S233-H235 VanDerWaalsContact CB-ND1 3.29Å; S233-H235 WeakPolarHBondContact CB-ND1 3.33Å; S233-H235 PolarHBondContact O-N 2.97Å; S233-H235 PolarHBondContact OG-ND1 2.93Å
234G81.8Confident87Confident22 Ų2266.6 Ų66.623%0.22734%0.34CS..  trans78.34.1177.700000115.3F231 A232 I236F231-G234 PolarHBondContact O-N 3.34Å; A232-G234 PolarHBondContact O-N 2.83Å; G234-I236 PolarHBondContact O-N 3.34Å; G234-I236 VanDerWaalsContact O-N 3.09Å
235H88.6Confident87.1Confident122 Ų12272.5 Ų72.557%0.56537%0.367SS*.  trans-71.3103.2178.2-64.798.5000111.5S233 I237 Y238 A239S233-H235 VanDerWaalsContact C-N 3.28Å; S233-H235 VanDerWaalsContact CB-ND1 3.29Å; S233-H235 WeakPolarHBondContact CB-ND1 3.33Å; S233-H235 PolarHBondContact O-N 2.97Å; S233-H235 PolarHBondContact OG-ND1 2.93Å; H235-I237 PolarHBondContact O-N 2.88Å; H235-Y238 WeakPolarHBondContact O-CB 3.25Å; H235-Y238 PolarHBondContact O-N 2.93Å; H235-A239 PolarHBondContact O-N 3.32Å
236I89.3Confident87.1Confident28 Ų2875.8 Ų75.814%0.14438%0.381CS..Hα-helixtrans-60.3-43.9-176.5-59.2144.8000111.9V147 S151 L215 A218 I222 G234 Y238 A239 M240V147-I236 HydrophobicContact CG1-CD1 4.02Å; S151-I236 VanDerWaalsContact CB-CD1 3.43Å; S151-I236 VanDerWaalsContact OG-CD1 3.23Å; S151-I236 WeakPolarHBondContact OG-CD1 3.3Å; L215-I236 HydrophobicContact CD2-CG2 3.84Å; A218-I236 HydrophobicContact CB-CG2 4.24Å; I222-I236 HydrophobicContact CD1-CG1 4.29Å; G234-I236 PolarHBondContact O-N 3.34Å; G234-I236 VanDerWaalsContact O-N 3.09Å; I236-Y238 VanDerWaalsContact C-N 3.31Å; I236-Y238 PolarHBondContact O-N 3.06Å; I236-A239 PolarHBondContact O-N 2.91Å; I236-M240 HydrophobicContact CG2-CG 4.36Å; I236-M240 HydrophobicContact CG2-SD 4.09Å; I236-M240 WeakPolarHBondContact O-CG 3.27Å; I236-M240 PolarHBondContact O-N 3.39Å
237I91.4Very high87.2Confident117 Ų11772.2 Ų72.260%0.637%0.372SS*.Hα-helixtrans-63.4-40.6-179.6-60.4173.2000110.6H235 R241H235-I237 PolarHBondContact O-N 2.88Å; I237-R241 HydrophobicContact CG2-CG 4.5Å; I237-R241 WeakPolarHBondContact O-CB 3.46Å; I237-R241 VanDerWaalsContact O-CG 3.31Å; I237-R241 WeakPolarHBondContact O-CG 3.36Å; I237-R241 PolarHBondContact O-N 3.34Å
238Y91.2Very high87.8Confident92 Ų9270.8 Ų70.836%0.36137%0.367SS..Hα-helixtrans-63.6-46.4174.8175.9-93.5000110.9N230 H235 I236 M240 R241 T242N230-Y238 HydrophobicContact CB-CD1 4.36Å; N230-Y238 HydrophobicContact CB-CE1 3.4Å; N230-Y238 VanDerWaalsContact CB-CE1 3.4Å; N230-Y238 WeakPolarHBondContact CB-OH 3.16Å; N230-Y238 PolarHBondContact ND2-OH 2.94Å; H235-Y238 WeakPolarHBondContact O-CB 3.25Å; H235-Y238 PolarHBondContact O-N 2.93Å; I236-Y238 VanDerWaalsContact C-N 3.31Å; I236-Y238 PolarHBondContact O-N 3.06Å; Y238-M240 PolarHBondContact O-N 2.97Å; Y238-R241 PolarHBondContact O-N 3.48Å; Y238-T242 WeakPolarHBondContact CE1-OG1 3.22Å; Y238-T242 WeakPolarHBondContact O-CB 3.43Å; Y238-T242 PolarHBondContact O-N 2.9Å; Y238-T242 PolarHBondContact O-OG1 3.46Å
239A90.8Very high88.3Confident0 Ų067.1 Ų67.10%035%0.347CS..Hα-helixtrans-58.6-47.6177.500000111.5A218 I222 F231 H235 I236 T242 I243A218-A239 HydrophobicContact CB-CB 4.15Å; I222-A239 HydrophobicContact CD1-CB 3.96Å; I222-A239 HydrophobicContact CG1-CB 4.02Å; F231-A239 HydrophobicContact CD1-CB 3.79Å; F231-A239 HydrophobicContact CE1-CB 3.81Å; H235-A239 PolarHBondContact O-N 3.32Å; I236-A239 PolarHBondContact O-N 2.91Å; A239-T242 PolarHBondContact O-N 3.36Å; A239-I243 WeakPolarHBondContact O-CB 3.49Å; A239-I243 VanDerWaalsContact O-CD1 3.27Å; A239-I243 WeakPolarHBondContact O-CD1 3.47Å; A239-I243 WeakPolarHBondContact O-CG1 3.31Å; A239-I243 PolarHBondContact O-N 3.29Å
240M91.7Very high88.6Confident53 Ų5374.9 Ų74.926%0.26137%0.372SS..Hα-helixtrans-61.9-45.5177.8-71.1-179.468.300112.6P214 L215 A218 I236 Y238 T242 I243 F244 L252P214-M240 HydrophobicContact CB-CE 3.81Å; L215-M240 HydrophobicContact CD2-SD 4.01Å; A218-M240 HydrophobicContact CB-CG 3.78Å; I236-M240 HydrophobicContact CG2-CG 4.36Å; I236-M240 HydrophobicContact CG2-SD 4.09Å; I236-M240 WeakPolarHBondContact O-CG 3.27Å; I236-M240 PolarHBondContact O-N 3.39Å; Y238-M240 PolarHBondContact O-N 2.97Å; M240-T242 VanDerWaalsContact C-N 3.32Å; M240-T242 PolarHBondContact O-N 3.35Å; M240-I243 PolarHBondContact O-N 3.35Å; M240-F244 WeakPolarHBondContact O-CB 3.4Å; M240-F244 PolarHBondContact O-N 2.65Å; M240-L252 HydrophobicContact CB-CD2 4.36Å
241R93.3Very high88.9Confident170 Ų17070.2 Ų70.264%0.64235%0.349SS*.Hα-helixtrans-61-43.3176.7-76.1179.2179.3-174.30.4111.5I237 Y238 F244 Q245I237-R241 HydrophobicContact CG2-CG 4.5Å; I237-R241 WeakPolarHBondContact O-CB 3.46Å; I237-R241 VanDerWaalsContact O-CG 3.31Å; I237-R241 WeakPolarHBondContact O-CG 3.36Å; I237-R241 PolarHBondContact O-N 3.34Å; Y238-R241 PolarHBondContact O-N 3.48Å; R241-F244 PolarHBondContact O-N 2.77Å; R241-Q245 VanDerWaalsContact O-CG 3.3Å; R241-Q245 WeakPolarHBondContact O-CG 3.24Å; R241-Q245 PolarHBondContact O-N 3.09Å
242T91.6Very high89.3Confident17 Ų1770 Ų7010%0.10435%0.349CS..Hα-helixtrans-66-44.8179.8-51.40000110.9F231 Y238 A239 M240 F244 Q245 E246F231-T242 HydrophobicContact CE2-CG2 3.77Å; F231-T242 HydrophobicContact CZ-CG2 3.46Å; F231-T242 VanDerWaalsContact CZ-CG2 3.46Å; Y238-T242 WeakPolarHBondContact CE1-OG1 3.22Å; Y238-T242 WeakPolarHBondContact O-CB 3.43Å; Y238-T242 PolarHBondContact O-N 2.9Å; Y238-T242 PolarHBondContact O-OG1 3.46Å; A239-T242 PolarHBondContact O-N 3.36Å; M240-T242 VanDerWaalsContact C-N 3.32Å; M240-T242 PolarHBondContact O-N 3.35Å; T242-F244 VanDerWaalsContact C-N 3.31Å; T242-F244 PolarHBondContact O-N 2.91Å; T242-Q245 PolarHBondContact O-N 3.49Å; T242-Q245 VanDerWaalsContact O-N 3.13Å; T242-E246 HydrophobicContact CG2-CG 4.42Å; T242-E246 WeakPolarHBondContact CG2-OE1 3.39Å; T242-E246 WeakPolarHBondContact O-CG 3.48Å; T242-E246 PolarHBondContact O-N 2.92Å
243I91.6Very high89.9Confident2 Ų272.8 Ų72.81%0.0136%0.357CS..Hα-helixtrans-60.4-42.1175.7-66157.4000111.2V217 A218 R221 F231 A239 M240 Q245 E246 S247 L252V217-I243 HydrophobicContact CG1-CD1 4.02Å; V217-I243 HydrophobicContact CG1-CG2 4.39Å; A218-I243 HydrophobicContact CB-CD1 4.38Å; R221-I243 HydrophobicContact CB-CD1 4.28Å; R221-I243 HydrophobicContact CG-CD1 3.89Å; R221-I243 HydrophobicContact CG-CG1 4.24Å; F231-I243 HydrophobicContact CE1-CG1 4.38Å; A239-I243 WeakPolarHBondContact O-CB 3.49Å; A239-I243 VanDerWaalsContact O-CD1 3.27Å; A239-I243 WeakPolarHBondContact O-CD1 3.47Å; A239-I243 WeakPolarHBondContact O-CG1 3.31Å; A239-I243 PolarHBondContact O-N 3.29Å; M240-I243 PolarHBondContact O-N 3.35Å; I243-Q245 VanDerWaalsContact C-N 3.31Å; I243-Q245 PolarHBondContact O-N 3.49Å; I243-E246 PolarHBondContact O-N 3.4Å; I243-S247 PolarHBondContact O-N 3.48Å; I243-L252 HydrophobicContact CB-CD2 4.08Å; I243-L252 HydrophobicContact CG2-CD2 3.85Å; I243-L252 HydrophobicContact CG2-CG 4.31Å
244F92.6Very high90.3Very high113 Ų11370.8 Ų70.850%0.49634%0.344SS..Hα-helixtrans-64.4-35.8176.7-175.8-100.4000112.3M240 R241 T242 G248 I249 L252M240-F244 WeakPolarHBondContact O-CB 3.4Å; M240-F244 PolarHBondContact O-N 2.65Å; R241-F244 PolarHBondContact O-N 2.77Å; T242-F244 VanDerWaalsContact C-N 3.31Å; T242-F244 PolarHBondContact O-N 2.91Å; F244-G248 WeakPolarHBondContact O-CA 3.27Å; F244-G248 PolarHBondContact O-N 2.85Å; F244-I249 HydrophobicContact CE2-CB 4.45Å; F244-L252 HydrophobicContact CB-CD1 4.16Å; F244-L252 HydrophobicContact CB-CG 4.46Å; F244-L252 HydrophobicContact CD2-CD1 3.81Å; F244-L252 HydrophobicContact CG-CD1 4.42Å
245Q92.4Very high90.6Very high159 Ų15970.1 Ų70.174%0.74334%0.336SS*.Hα-helixtrans-71.6-36.6174.7-72.4171.5-17.700112.5R241 T242 I243R241-Q245 VanDerWaalsContact O-CG 3.3Å; R241-Q245 WeakPolarHBondContact O-CG 3.24Å; R241-Q245 PolarHBondContact O-N 3.09Å; T242-Q245 PolarHBondContact O-N 3.49Å; T242-Q245 VanDerWaalsContact O-N 3.13Å; I243-Q245 VanDerWaalsContact C-N 3.31Å; I243-Q245 PolarHBondContact O-N 3.49Å
246E89.3Confident90.7Very high80 Ų8066.4 Ų66.437%0.37432%0.321SS..Hα-helixtrans-74-42.4-179.1-74173.2-174.900113.4R221 T242 I243R221-E246 IonicContact CZ-OE2 3.47Å; R221-E246 IonicContact NH1-OE2 3.51Å; R221-E246 PolarHBondContact NH1-OE2 3.42Å; R221-E246 IonicContact NH2-OE1 2.82Å; R221-E246 PolarHBondContact NH2-OE1 2.99Å; R221-E246 IonicContact NH2-OE2 3.63Å; R221-E246 PolarHBondContact NH2-OE2 3.31Å; T242-E246 HydrophobicContact CG2-CG 4.42Å; T242-E246 WeakPolarHBondContact CG2-OE1 3.39Å; T242-E246 WeakPolarHBondContact O-CG 3.48Å; T242-E246 PolarHBondContact O-N 2.92Å; I243-E246 PolarHBondContact O-N 3.4Å
247S87.2Confident90.9Very high71 Ų7171.5 Ų71.550%0.49735%0.346SS..Hα-helixtrans-137.78.2-167.9-62.30000113.6I243 G251I243-S247 PolarHBondContact O-N 3.48Å; S247-G251 PolarHBondContact O-N 2.72Å
248G90.1Very high90.9Very high26 Ų2666.7 Ų66.727%0.26832%0.323SS..Hα-helixtrans63.6-154.6-178.700000113.2F244 Y250 G251F244-G248 WeakPolarHBondContact O-CA 3.27Å; F244-G248 PolarHBondContact O-N 2.85Å; G248-Y250 VanDerWaalsContact C-N 3.27Å; G248-Y250 PolarHBondContact O-N 2.77Å; G248-G251 PolarHBondContact O-N 3.34Å
249I91.3Very high90.9Very high87 Ų8762.8 Ų62.845%0.44631%0.307SS..Hα-helixtrans-64.4-32.1178.4-164.960.4000112.4F244 G251 L252 F253F244-I249 HydrophobicContact CE2-CB 4.45Å; I249-G251 VanDerWaalsContact C-N 3.29Å; I249-G251 PolarHBondContact O-N 3.49Å; I249-L252 HydrophobicContact CD1-CD1 4.23Å; I249-L252 PolarHBondContact O-N 2.77Å; I249-F253 HydrophobicContact CD1-CD2 3.96Å; I249-F253 HydrophobicContact CD1-CE2 3.7Å; I249-F253 HydrophobicContact CG1-CD2 4.05Å; I249-F253 HydrophobicContact CG1-CE2 4.15Å; I249-F253 WeakPolarHBondContact O-CD2 3.24Å; I249-F253 PolarHBondContact O-N 3.38Å
250Y89.4Confident90.9Very high199 Ų19965.1 Ų65.178%0.7832%0.319SS*.Hα-helixtrans-63.6-35.5177.8-66.1-71.6000112G248 F253 S254G248-Y250 VanDerWaalsContact C-N 3.27Å; G248-Y250 PolarHBondContact O-N 2.77Å; Y250-F253 CarbonylContact O-C 3.47Å; Y250-F253 PolarHBondContact O-N 3.4Å; Y250-S254 PolarHBondContact O-N 2.97Å
251G89Confident90.9Very high10 Ų1065 Ų6510%0.10332%0.322CS..Hα-helixtrans-61.6-44.2173.100000112.9S247 G248 I249 F253 S254S247-G251 PolarHBondContact O-N 2.72Å; G248-G251 PolarHBondContact O-N 3.34Å; I249-G251 VanDerWaalsContact C-N 3.29Å; I249-G251 PolarHBondContact O-N 3.49Å; G251-F253 PolarHBondContact O-N 3.29Å; G251-S254 WeakPolarHBondContact O-CB 3.47Å; G251-S254 PolarHBondContact O-N 3.36Å
252L91.5Very high90.8Very high17 Ų1758.1 Ų58.19%0.08930%0.298CS..Hα-helixtrans-66.5-25.6178.9-68.6178000113.3P214 V217 M240 I243 F244 I249P214-L252 VanDerWaalsContact CA-O 3.27Å; P214-L252 WeakPolarHBondContact CA-O 3.32Å; P214-L252 HydrophobicContact CB-CB 4.22Å; P214-L252 HydrophobicContact CB-CD2 4.36Å; P214-L252 HydrophobicContact CG-CB 4.31Å; V217-L252 VanDerWaalsContact CG2-O 3.28Å; V217-L252 WeakPolarHBondContact CG2-O 3.48Å; M240-L252 HydrophobicContact CB-CD2 4.36Å; I243-L252 HydrophobicContact CB-CD2 4.08Å; I243-L252 HydrophobicContact CG2-CD2 3.85Å; I243-L252 HydrophobicContact CG2-CG 4.31Å; F244-L252 HydrophobicContact CB-CD1 4.16Å; F244-L252 HydrophobicContact CB-CG 4.46Å; F244-L252 HydrophobicContact CD2-CD1 3.81Å; F244-L252 HydrophobicContact CG-CD1 4.42Å; I249-L252 HydrophobicContact CD1-CD1 4.23Å; I249-L252 PolarHBondContact O-N 2.77Å
253F92.8Very high90.7Very high79 Ų7959.8 Ų59.835%0.34631%0.306SS..THydrogen-bonded Turntrans-104.215.6176.2-72.9-86.8000113.2A210 T213 P214 I249 Y250 G251 G255 L256A210-F253 WeakPolarHBondContact O-CE1 3.29Å; T213-F253 HydrophobicContact CG2-CD1 4.25Å; P214-F253 HydrophobicContact CG-CE1 4.3Å; P214-F253 HydrophobicContact CG-CE2 4.14Å; P214-F253 HydrophobicContact CG-CZ 3.96Å; I249-F253 HydrophobicContact CD1-CD2 3.96Å; I249-F253 HydrophobicContact CD1-CE2 3.7Å; I249-F253 HydrophobicContact CG1-CD2 4.05Å; I249-F253 HydrophobicContact CG1-CE2 4.15Å; I249-F253 WeakPolarHBondContact O-CD2 3.24Å; I249-F253 PolarHBondContact O-N 3.38Å; Y250-F253 CarbonylContact O-C 3.47Å; Y250-F253 PolarHBondContact O-N 3.4Å; G251-F253 PolarHBondContact O-N 3.29Å; F253-G255 PolarHBondContact O-N 3.27Å; F253-L256 HydrophobicContact CD1-CD2 4.17Å; F253-L256 VanDerWaalsContact O-CB 3.29Å; F253-L256 WeakPolarHBondContact O-CB 3.36Å; F253-L256 PolarHBondContact O-N 3.31Å; F253-L256 VanDerWaalsContact O-N 3.12Å
254S88.8Confident90.4Very high23 Ų2361.7 Ų61.716%0.16132%0.319CS..THydrogen-bonded Turntrans-63131.2176.3-169.40000110.7L37 Q38 V217 Y250 G251L37-S254 VanDerWaalsContact C-OG 3.32Å; L37-S254 PolarHBondContact O-OG 3.42Å; Q38-S254 WeakPolarHBondContact CG-O 3.33Å; V217-S254 WeakPolarHBondContact CG2-O 3.24Å; Y250-S254 PolarHBondContact O-N 2.97Å; G251-S254 WeakPolarHBondContact O-CB 3.47Å; G251-S254 PolarHBondContact O-N 3.36Å
255G88.6Confident90.3Very high7 Ų759 Ų597%0.07231%0.312CS..THydrogen-bonded Turntrans7910.6-176.100000115.2F253 I257 P258 R259F253-G255 PolarHBondContact O-N 3.27Å; G255-I257 PolarHBondContact O-N 3.37Å; G255-P258 VanDerWaalsContact O-CD 3.26Å; G255-P258 WeakPolarHBondContact O-CD 3.31Å; G255-P258 VanDerWaalsContact O-CG 3.27Å; G255-P258 WeakPolarHBondContact O-CG 3.46Å; G255-R259 VanDerWaalsContact O-CB 3.28Å; G255-R259 WeakPolarHBondContact O-CB 3.43Å; G255-R259 PolarHBondContact O-N 2.88Å
256L91.5Very high90.1Very high45 Ų4551.9 Ų51.924%0.23628%0.281CS..Hα-helixtrans-55.7-49.3174.7178.465000112.2A210 T213 F253 R259 I260A210-L256 HydrophobicContact CB-CD1 3.92Å; T213-L256 HydrophobicContact CG2-CB 4.31Å; T213-L256 HydrophobicContact CG2-CD1 4.39Å; T213-L256 WeakPolarHBondContact OG1-CD1 3.44Å; F253-L256 HydrophobicContact CD1-CD2 4.17Å; F253-L256 VanDerWaalsContact O-CB 3.29Å; F253-L256 WeakPolarHBondContact O-CB 3.36Å; F253-L256 PolarHBondContact O-N 3.31Å; F253-L256 VanDerWaalsContact O-N 3.12Å; L256-R259 WeakPolarHBondContact O-CB 3.21Å; L256-R259 PolarHBondContact O-N 3.41Å; L256-I260 HydrophobicContact CD1-CD1 3.81Å; L256-I260 HydrophobicContact CD1-CG1 4.09Å; L256-I260 HydrophobicContact CD2-CD1 4.46Å; L256-I260 HydrophobicContact CG-CD1 3.84Å; L256-I260 HydrophobicContact CG-CG1 4.42Å; L256-I260 WeakPolarHBondContact O-CG1 3.47Å; L256-I260 PolarHBondContact O-N 3.32Å
257I92.1Very high89.9Confident134 Ų13449.3 Ų49.369%0.68728%0.276SS*.Hα-helixtrans-56.5-59-179.7-63.9173.3000111.3G255 R259 I260 T261G255-I257 PolarHBondContact O-N 3.37Å; I257-R259 PolarHBondContact O-N 3.32Å; I257-I260 PolarHBondContact O-N 3.03Å; I257-I260 VanDerWaalsContact O-N 3.13Å; I257-T261 PolarHBondContact O-N 3.23Å; I257-T261 PolarHBondContact O-OG1 3.37Å; I257-T261 VanDerWaalsContact O-OG1 3.06Å
258P91.5Very high89.8Confident16 Ų1648.9 Ų48.910%0.10428%0.277CS..Hα-helixtrans-62.5-30.118024.7-34.3000112I30 K34 L37 G255 T261 L262I30-P258 HydrophobicContact CG2-CB 3.73Å; K34-P258 HydrophobicContact CB-CB 4.01Å; K34-P258 HydrophobicContact CB-CG 3.9Å; K34-P258 HydrophobicContact CG-CG 4.28Å; L37-P258 HydrophobicContact CD1-CG 4.08Å; G255-P258 VanDerWaalsContact O-CD 3.26Å; G255-P258 WeakPolarHBondContact O-CD 3.31Å; G255-P258 VanDerWaalsContact O-CG 3.27Å; G255-P258 WeakPolarHBondContact O-CG 3.46Å; P258-T261 PolarHBondContact O-N 2.93Å; P258-L262 WeakPolarHBondContact O-CB 3.13Å; P258-L262 WeakPolarHBondContact O-CG 3.39Å; P258-L262 PolarHBondContact O-N 3.05Å
259R91Very high89.8Confident10 Ų1049.9 Ų49.94%0.03828%0.276CS..Hα-helixtrans-63.4-46.7173.3-178.9166.7-177.1-177.7-6.5112.8K34 G209 T212 T213 D216 G255 L256 I257 T261 L262 L263K34-R259 HydrophobicContact CD-CB 4.16Å; G209-R259 PolarHBondContact O-NH1 3.5Å; T212-R259 VanDerWaalsContact C-NH1 3.33Å; T212-R259 PolarHBondContact O-NH1 3.38Å; T212-R259 PolarHBondContact OG1-NH2 2.94Å; T213-R259 VanDerWaalsContact CA-NH1 3.34Å; D216-R259 IonicContact OD2-NH1 2.69Å; D216-R259 PolarHBondContact OD2-NH1 2.97Å; G255-R259 VanDerWaalsContact O-CB 3.28Å; G255-R259 WeakPolarHBondContact O-CB 3.43Å; G255-R259 PolarHBondContact O-N 2.88Å; L256-R259 WeakPolarHBondContact O-CB 3.21Å; L256-R259 PolarHBondContact O-N 3.41Å; I257-R259 PolarHBondContact O-N 3.32Å; R259-T261 VanDerWaalsContact C-N 3.31Å; R259-L262 PolarHBondContact O-N 3.4Å; R259-L263 HydrophobicContact CG-CD1 4.17Å; R259-L263 WeakPolarHBondContact O-CG 3.23Å; R259-L263 PolarHBondContact O-N 2.97Å; R259-L263 VanDerWaalsContact O-N 3.08Å
260I91.6Very high89.6Confident49 Ų4949.3 Ų49.325%0.25127%0.27SS..Hα-helixtrans-63.4-41.8176.8-66.5174.3000110.2T206 L256 I257 L263 S264T206-I260 HydrophobicContact CG2-CB 4.47Å; T206-I260 HydrophobicContact CG2-CD1 4.16Å; T206-I260 HydrophobicContact CG2-CG1 4.05Å; T206-I260 HydrophobicContact CG2-CG2 3.71Å; L256-I260 HydrophobicContact CD1-CD1 3.81Å; L256-I260 HydrophobicContact CD1-CG1 4.09Å; L256-I260 HydrophobicContact CD2-CD1 4.46Å; L256-I260 HydrophobicContact CG-CD1 3.84Å; L256-I260 HydrophobicContact CG-CG1 4.42Å; L256-I260 WeakPolarHBondContact O-CG1 3.47Å; L256-I260 PolarHBondContact O-N 3.32Å; I257-I260 PolarHBondContact O-N 3.03Å; I257-I260 VanDerWaalsContact O-N 3.13Å; I260-L263 PolarHBondContact O-N 3.41Å; I260-S264 VanDerWaalsContact O-CB 3.31Å; I260-S264 WeakPolarHBondContact O-CB 3.36Å; I260-S264 PolarHBondContact O-N 3.46Å; I260-S264 PolarHBondContact O-OG 3Å
261T91.8Very high89.3Confident52 Ų5242 Ų4232%0.31924%0.244SC..Hα-helixtrans-60.2-46.6175.7-55.20000111.5I30 I257 P258 R259 L263 S264 V265I30-T261 HydrophobicContact CD1-CG2 4.06Å; I257-T261 PolarHBondContact O-N 3.23Å; I257-T261 PolarHBondContact O-OG1 3.37Å; I257-T261 VanDerWaalsContact O-OG1 3.06Å; P258-T261 PolarHBondContact O-N 2.93Å; R259-T261 VanDerWaalsContact C-N 3.31Å; T261-L263 PolarHBondContact O-N 3.14Å; T261-S264 PolarHBondContact O-N 3.22Å; T261-V265 HydrophobicContact CG2-CG2 3.92Å; T261-V265 VanDerWaalsContact O-CB 3.27Å; T261-V265 WeakPolarHBondContact O-CB 3.15Å; T261-V265 VanDerWaalsContact O-CG2 3.3Å; T261-V265 WeakPolarHBondContact O-CG2 3.36Å; T261-V265 PolarHBondContact O-N 2.73Å
262L92.1Very high89.2Confident25 Ų2543.5 Ų43.513%0.13126%0.26CS..Hα-helixtrans-58.5-45.7177.8-75.1168.6000112L27 I30 D31 K34 P258 R259 G266L27-L262 HydrophobicContact CB-CD2 3.62Å; L27-L262 HydrophobicContact CD1-CD2 4.24Å; L27-L262 HydrophobicContact CG-CD2 4.44Å; I30-L262 HydrophobicContact CB-CD2 3.82Å; I30-L262 HydrophobicContact CB-CG 4.3Å; I30-L262 HydrophobicContact CG2-CD1 4.35Å; I30-L262 HydrophobicContact CG2-CD2 3.85Å; I30-L262 HydrophobicContact CG2-CG 3.77Å; D31-L262 HydrophobicContact CB-CD1 4.26Å; D31-L262 HydrophobicContact CB-CD2 4.47Å; K34-L262 HydrophobicContact CD-CD1 3.9Å; P258-L262 WeakPolarHBondContact O-CB 3.13Å; P258-L262 WeakPolarHBondContact O-CG 3.39Å; P258-L262 PolarHBondContact O-N 3.05Å; R259-L262 PolarHBondContact O-N 3.4Å; L262-G266 VanDerWaalsContact O-CA 3.24Å; L262-G266 WeakPolarHBondContact O-CA 3.34Å; L262-G266 PolarHBondContact O-N 2.87Å
263L87.9Confident89.1Confident52 Ų5244.7 Ų44.727%0.27227%0.265SS..Hα-helixtrans-68.2-42.9-179.6-67.9169.2000111.8F156 G205 R259 I260 T261 G267F156-L263 HydrophobicContact CE2-CD1 4.41Å; F156-L263 HydrophobicContact CZ-CD2 4.28Å; G205-L263 WeakPolarHBondContact O-CD1 3.39Å; R259-L263 HydrophobicContact CG-CD1 4.17Å; R259-L263 WeakPolarHBondContact O-CG 3.23Å; R259-L263 PolarHBondContact O-N 2.97Å; R259-L263 VanDerWaalsContact O-N 3.08Å; I260-L263 PolarHBondContact O-N 3.41Å; T261-L263 PolarHBondContact O-N 3.14Å; L263-G267 PolarHBondContact O-N 3.4Å
264S86.9Confident88.8Confident41 Ų4144.3 Ų44.329%0.28726%0.262SS..Hα-helixtrans-71.4-49.8-176.9-57.60000112T206 I260 T261 A268T206-S264 PolarHBondContact OG1-OG 2.98Å; I260-S264 VanDerWaalsContact O-CB 3.31Å; I260-S264 WeakPolarHBondContact O-CB 3.36Å; I260-S264 PolarHBondContact O-N 3.46Å; I260-S264 PolarHBondContact O-OG 3Å; T261-S264 PolarHBondContact O-N 3.22Å; S264-A268 PolarHBondContact O-N 3.46Å
265V89.4Confident88.6Confident57 Ų5747.1 Ų47.135%0.34528%0.276SS..Hα-helixtrans-74.3-36.8-179-177.80000110.3L27 T261 G267 A268 I269L27-V265 HydrophobicContact CD1-CB 4.46Å; L27-V265 HydrophobicContact CD2-CB 4.26Å; L27-V265 HydrophobicContact CD2-CG1 3.81Å; T261-V265 HydrophobicContact CG2-CG2 3.92Å; T261-V265 VanDerWaalsContact O-CB 3.27Å; T261-V265 WeakPolarHBondContact O-CB 3.15Å; T261-V265 VanDerWaalsContact O-CG2 3.3Å; T261-V265 WeakPolarHBondContact O-CG2 3.36Å; T261-V265 PolarHBondContact O-N 2.73Å; V265-G267 PolarHBondContact O-N 3.25Å; V265-A268 PolarHBondContact O-N 2.87Å; V265-I269 HydrophobicContact CG1-CD1 3.65Å; V265-I269 HydrophobicContact CG1-CG1 4.11Å; V265-I269 WeakPolarHBondContact O-CG1 3.38Å; V265-I269 PolarHBondContact O-N 3.12Å
266G88.4Confident88.7Confident9 Ų952.4 Ų52.49%0.09330%0.301CS..Hα-helixtrans-62.8-42.9179.100000112.7L262 A268 I269 F270L262-G266 VanDerWaalsContact O-CA 3.24Å; L262-G266 WeakPolarHBondContact O-CA 3.34Å; L262-G266 PolarHBondContact O-N 2.87Å; G266-A268 VanDerWaalsContact C-N 3.35Å; G266-A268 PolarHBondContact O-N 2.89Å; G266-I269 PolarHBondContact O-N 3.48Å; G266-F270 VanDerWaalsContact O-CB 3.25Å; G266-F270 WeakPolarHBondContact O-CB 3.41Å; G266-F270 PolarHBondContact O-N 2.87Å
267G85.1Confident88.6Confident26 Ų2650.6 Ų50.627%0.26829%0.292SS..Hα-helixtrans-60.9-41.8174.100000112.9L263 V265 L271L263-G267 PolarHBondContact O-N 3.4Å; V265-G267 PolarHBondContact O-N 3.25Å; G267-L271 PolarHBondContact O-N 3.48Å
268A86Confident88.4Confident63 Ų6346 Ų4652%0.52127%0.27SS..Hα-helixtrans-66.8-45.8178.600000112.5S264 V265 G266 G272S264-A268 PolarHBondContact O-N 3.46Å; V265-A268 PolarHBondContact O-N 2.87Å; G266-A268 VanDerWaalsContact C-N 3.35Å; G266-A268 PolarHBondContact O-N 2.89Å; A268-G272 PolarHBondContact O-N 3.21Å
269I88.9Confident88.3Confident46 Ų4653.9 Ų53.924%0.23630%0.298CS..Hα-helixtrans-64.2-43.3177.3-66175.1000110.3V23 A26 L27 V265 G266 L271 G272 I273V23-I269 HydrophobicContact CB-CG2 4.5Å; V23-I269 HydrophobicContact CG2-CB 4.04Å; V23-I269 HydrophobicContact CG2-CG2 3.68Å; A26-I269 HydrophobicContact CB-CD1 4.14Å; L27-I269 HydrophobicContact CD2-CD1 4.09Å; L27-I269 HydrophobicContact CG-CD1 4.25Å; V265-I269 HydrophobicContact CG1-CD1 3.65Å; V265-I269 HydrophobicContact CG1-CG1 4.11Å; V265-I269 WeakPolarHBondContact O-CG1 3.38Å; V265-I269 PolarHBondContact O-N 3.12Å; G266-I269 PolarHBondContact O-N 3.48Å; I269-L271 VanDerWaalsContact C-N 3.3Å; I269-L271 PolarHBondContact O-N 3.01Å; I269-G272 PolarHBondContact O-N 3.31Å; I269-I273 HydrophobicContact CG2-CD1 3.43Å; I269-I273 VanDerWaalsContact CG2-CD1 3.43Å; I269-I273 HydrophobicContact CG2-CG1 4.05Å; I269-I273 WeakPolarHBondContact O-CG1 3.3Å; I269-I273 PolarHBondContact O-N 2.97Å
270F87.7Confident88.3Confident75 Ų7558.9 Ų58.933%0.32932%0.32SS..Hα-helixtrans-55.4-46.4-178.7-178.6-94.9000111.5A19 V23 G266 I273 Y274A19-F270 HydrophobicContact CB-CD2 3.91Å; A19-F270 HydrophobicContact CB-CE2 3.76Å; A19-F270 HydrophobicContact CB-CZ 4.43Å; V23-F270 VanDerWaalsContact CG2-CA 3.48Å; V23-F270 HydrophobicContact CG2-CB 3.77Å; V23-F270 HydrophobicContact CG2-CD2 4.3Å; G266-F270 VanDerWaalsContact O-CB 3.25Å; G266-F270 WeakPolarHBondContact O-CB 3.41Å; G266-F270 PolarHBondContact O-N 2.87Å; F270-I273 PolarHBondContact O-N 3.43Å; F270-Y274 HydrophobicContact CE1-CD2 4.19Å; F270-Y274 HydrophobicContact CE1-CG 4.28Å; F270-Y274 AromaticContact CZ-CD2 3.95Å; F270-Y274 HydrophobicContact CZ-CD2 3.95Å; F270-Y274 HydrophobicContact CZ-CG 4.47Å; F270-Y274 WeakPolarHBondContact O-CB 3.14Å; F270-Y274 PolarHBondContact O-N 3.19Å
271L84Confident88.2Confident47 Ų4759.3 Ų59.325%0.24632%0.319CS..Hα-helixtrans-65.4-45.7-179.4-70177.8000112.9A194 A198 G267 I269 I273 Y274 D275A194-L271 WeakPolarHBondContact O-CD1 3.33Å; A198-L271 HydrophobicContact CB-CD1 3.06Å; A198-L271 HydrophobicContact CB-CG 4.4Å; G267-L271 PolarHBondContact O-N 3.48Å; I269-L271 VanDerWaalsContact C-N 3.3Å; I269-L271 PolarHBondContact O-N 3.01Å; L271-I273 VanDerWaalsContact C-N 3.28Å; L271-I273 PolarHBondContact O-N 2.96Å; L271-Y274 PolarHBondContact O-N 2.73Å; L271-D275 PolarHBondContact O-N 3.39Å
272G86.5Confident88.1Confident41 Ų4158.7 Ų58.742%0.42332%0.315SS..Hα-helixtrans-59.3-42.1177.600000111.8A268 I269 I276A268-G272 PolarHBondContact O-N 3.21Å; I269-G272 PolarHBondContact O-N 3.31Å; G272-I276 WeakPolarHBondContact O-CD1 3.21Å; G272-I276 VanDerWaalsContact O-CG1 3.3Å; G272-I276 WeakPolarHBondContact O-CG1 3.19Å
273I88.8Confident87.9Confident41 Ų4162.3 Ų62.321%0.2133%0.334CS..Hα-helixtrans-78.6-32.7-178.9-59.7-177.2000111.9A19 S22 I269 F270 L271 D275 I276 S277A19-I273 HydrophobicContact CB-CB 4.3Å; A19-I273 HydrophobicContact CB-CG2 4Å; S22-I273 VanDerWaalsContact CB-CD1 3.41Å; I269-I273 HydrophobicContact CG2-CD1 3.43Å; I269-I273 VanDerWaalsContact CG2-CD1 3.43Å; I269-I273 HydrophobicContact CG2-CG1 4.05Å; I269-I273 WeakPolarHBondContact O-CG1 3.3Å; I269-I273 PolarHBondContact O-N 2.97Å; F270-I273 PolarHBondContact O-N 3.43Å; L271-I273 VanDerWaalsContact C-N 3.28Å; L271-I273 PolarHBondContact O-N 2.96Å; I273-D275 PolarHBondContact O-N 3.18Å; I273-I276 PolarHBondContact O-N 3.41Å; I273-S277 WeakPolarHBondContact CG2-OG 3.36Å; I273-S277 WeakPolarHBondContact O-CB 3.35Å; I273-S277 PolarHBondContact O-N 3.43Å; I273-S277 PolarHBondContact O-OG 2.84Å
274Y86.1Confident87.9Confident71 Ų7163.1 Ų63.128%0.27834%0.338SS..Hα-helixtrans-62.6-43.7179.6-178.2-95.7000111.7A15 A19 F270 L271 S277 T278A15-Y274 HydrophobicContact CB-CE2 4.38Å; A19-Y274 HydrophobicContact CB-CD2 4.46Å; F270-Y274 HydrophobicContact CE1-CD2 4.19Å; F270-Y274 HydrophobicContact CE1-CG 4.28Å; F270-Y274 AromaticContact CZ-CD2 3.95Å; F270-Y274 HydrophobicContact CZ-CD2 3.95Å; F270-Y274 HydrophobicContact CZ-CG 4.47Å; F270-Y274 WeakPolarHBondContact O-CB 3.14Å; F270-Y274 PolarHBondContact O-N 3.19Å; L271-Y274 PolarHBondContact O-N 2.73Å; Y274-S277 PolarHBondContact O-N 3.27Å; Y274-T278 VanDerWaalsContact O-CB 3.31Å; Y274-T278 WeakPolarHBondContact O-CB 3.3Å; Y274-T278 PolarHBondContact O-N 3.17Å; Y274-T278 PolarHBondContact O-OG1 2.9Å
275D85.6Confident87.7Confident83 Ų8362.1 Ų62.144%0.44433%0.33SS..Hα-helixtrans-64.5-42.6177.2-76.7-16.6000111.7L271 I273 R279L271-D275 PolarHBondContact O-N 3.39Å; I273-D275 PolarHBondContact O-N 3.18Å; D275-R279 WeakPolarHBondContact O-CG 3.36Å; D275-R279 PolarHBondContact O-N 3.4Å
276I90.1Very high87.2Confident118 Ų11864.3 Ų64.361%0.60534%0.336SS*.Hα-helixtrans-64.3-46.6176.7-64.6168.9000110.4G272 I273 T278 R279 F280G272-I276 WeakPolarHBondContact O-CD1 3.21Å; G272-I276 VanDerWaalsContact O-CG1 3.3Å; G272-I276 WeakPolarHBondContact O-CG1 3.19Å; I273-I276 PolarHBondContact O-N 3.41Å; I276-T278 PolarHBondContact O-N 2.89Å; I276-R279 PolarHBondContact O-N 3.36Å; I276-F280 WeakPolarHBondContact O-CB 3.42Å; I276-F280 PolarHBondContact O-N 2.98Å
277S89.4Confident86.7Confident7 Ų768.9 Ų68.95%0.04936%0.358CS..Hα-helixtrans-66-39.9-177.8-58.30000111.4I273 Y274 R279 F280 W281I273-S277 WeakPolarHBondContact CG2-OG 3.36Å; I273-S277 WeakPolarHBondContact O-CB 3.35Å; I273-S277 PolarHBondContact O-N 3.43Å; I273-S277 PolarHBondContact O-OG 2.84Å; Y274-S277 PolarHBondContact O-N 3.27Å; S277-R279 VanDerWaalsContact C-N 3.35Å; S277-R279 PolarHBondContact O-N 2.94Å; S277-F280 PolarHBondContact O-N 3.36Å; S277-W281 WeakPolarHBondContact O-CB 3.46Å; S277-W281 PolarHBondContact O-N 2.99Å
278T88.5Confident86.1Confident36 Ų3672.3 Ų72.322%0.22138%0.379CS..Hα-helixtrans-61.5-44.4176.5-59.60000110.8I11 Y274 I276 T282I11-T278 HydrophobicContact CG2-CG2 4.43Å; Y274-T278 VanDerWaalsContact O-CB 3.31Å; Y274-T278 WeakPolarHBondContact O-CB 3.3Å; Y274-T278 PolarHBondContact O-N 3.17Å; Y274-T278 PolarHBondContact O-OG1 2.9Å; I276-T278 PolarHBondContact O-N 2.89Å; T278-T282 WeakPolarHBondContact O-CB 3.47Å; T278-T282 PolarHBondContact O-N 3.11Å; T278-T282 PolarHBondContact O-OG1 3.28Å
279R89.2Confident84.9Confident183 Ų18375.4 Ų75.469%0.69138%0.38SS*.Hα-helixtrans-63.3-46.8176.1-69.4174.2-173.1-1753111.8D275 I276 S277 T282 L283D275-R279 WeakPolarHBondContact O-CG 3.36Å; D275-R279 PolarHBondContact O-N 3.4Å; I276-R279 PolarHBondContact O-N 3.36Å; S277-R279 VanDerWaalsContact C-N 3.35Å; S277-R279 PolarHBondContact O-N 2.94Å; R279-T282 PolarHBondContact O-N 3.17Å; R279-L283 WeakPolarHBondContact O-CG 3.34Å; R279-L283 PolarHBondContact O-N 3.42Å
280F90.9Very high83Confident115 Ų11582.9 Ų82.950%0.50442%0.42SS..Hα-helixtrans-58.6-51.1179.2178.7-101.6000112.2I276 S277 T282 L283 I284I276-F280 WeakPolarHBondContact O-CB 3.42Å; I276-F280 PolarHBondContact O-N 2.98Å; S277-F280 PolarHBondContact O-N 3.36Å; F280-T282 PolarHBondContact O-N 3.09Å; F280-L283 PolarHBondContact O-N 2.8Å; F280-I284 HydrophobicContact CD1-CD1 3.85Å; F280-I284 HydrophobicContact CD2-CD1 4.45Å; F280-I284 HydrophobicContact CE1-CD1 3.27Å; F280-I284 HydrophobicContact CE2-CD1 3.95Å; F280-I284 HydrophobicContact CG-CD1 4.42Å; F280-I284 HydrophobicContact CZ-CD1 3.34Å; F280-I284 HydrophobicContact CZ-CG1 4.49Å; F280-I284 PolarHBondContact O-N 2.69Å; F280-I284 VanDerWaalsContact O-N 3.09Å
281W89.2Confident82.8Confident58 Ų5883.3 Ų83.322%0.2243%0.425CS..Hα-helixtrans-69.3-33179.4-73.7117.1000112.9I11 L14 T18 S277 L283 I284 V285I11-W281 HydrophobicContact CG2-CB 4.17Å; L14-W281 HydrophobicContact CB-CD2 3.78Å; L14-W281 HydrophobicContact CB-CE3 4.37Å; L14-W281 HydrophobicContact CB-CG 3.88Å; L14-W281 HydrophobicContact CB-CZ2 4.31Å; L14-W281 HydrophobicContact CD1-CD2 3.99Å; L14-W281 HydrophobicContact CD1-CE3 3.71Å; L14-W281 HydrophobicContact CD1-CH2 4.36Å; L14-W281 HydrophobicContact CD1-CZ3 3.91Å; L14-W281 HydrophobicContact CG-CD2 4.48Å; T18-W281 PolarHBondContact OG1-NE1 2.65Å; T18-W281 VanDerWaalsContact OG1-NE1 3.1Å; S277-W281 WeakPolarHBondContact O-CB 3.46Å; S277-W281 PolarHBondContact O-N 2.99Å; W281-L283 VanDerWaalsContact C-N 3.35Å; W281-I284 HydrophobicContact CE3-CB 4.41Å; W281-I284 HydrophobicContact CE3-CD1 4.22Å; W281-I284 HydrophobicContact CE3-CG2 4.41Å; W281-I284 HydrophobicContact CZ3-CD1 4.24Å; W281-I284 HydrophobicContact CZ3-CG2 4.43Å; W281-I284 PolarHBondContact O-N 3.47Å; W281-V285 WeakPolarHBondContact O-CB 3.47Å; W281-V285 VanDerWaalsContact O-CG2 3.29Å; W281-V285 WeakPolarHBondContact O-CG2 3.45Å; W281-V285 PolarHBondContact O-N 3.38Å
282T88.6Confident82.7Confident38 Ų3885.2 Ų85.223%0.23343%0.434CS..Hα-helixtrans-60.3-46.2172.6-61.50000110.8T278 R279 F280 Q286T278-T282 WeakPolarHBondContact O-CB 3.47Å; T278-T282 PolarHBondContact O-N 3.11Å; T278-T282 PolarHBondContact O-OG1 3.28Å; R279-T282 PolarHBondContact O-N 3.17Å; F280-T282 PolarHBondContact O-N 3.09Å; T282-Q286 HydrophobicContact CG2-CG 4.26Å; T282-Q286 WeakPolarHBondContact O-CB 3Å; T282-Q286 WeakPolarHBondContact O-CG 3.47Å; T282-Q286 PolarHBondContact O-N 3.01Å
283L88.4Confident82.5Confident102 Ų10287.6 Ų87.653%0.53444%0.435SS..Hα-helixtrans-62.4-43.9177.4-69.2172.7000112.1R279 F280 W281 Q286 N287R279-L283 WeakPolarHBondContact O-CG 3.34Å; R279-L283 PolarHBondContact O-N 3.42Å; F280-L283 PolarHBondContact O-N 2.8Å; W281-L283 VanDerWaalsContact C-N 3.35Å; L283-Q286 PolarHBondContact O-N 3.23Å; L283-N287 VanDerWaalsContact O-CB 3.3Å; L283-N287 WeakPolarHBondContact O-CB 3.26Å; L283-N287 PolarHBondContact O-N 2.95Å; L283-N287 PolarHBondContact O-ND2 2.98Å; L283-N287 PolarHBondContact O-OD1 3.21Å
284I87.4Confident82.1Confident69 Ų6990.4 Ų90.435%0.35445%0.448SS..Hα-helixtrans-65.6-47.7179.8-70176.6000111.7F280 W281 Q286 N287 S288F280-I284 HydrophobicContact CD1-CD1 3.85Å; F280-I284 HydrophobicContact CD2-CD1 4.45Å; F280-I284 HydrophobicContact CE1-CD1 3.27Å; F280-I284 HydrophobicContact CE2-CD1 3.95Å; F280-I284 HydrophobicContact CG-CD1 4.42Å; F280-I284 HydrophobicContact CZ-CD1 3.34Å; F280-I284 HydrophobicContact CZ-CG1 4.49Å; F280-I284 PolarHBondContact O-N 2.69Å; F280-I284 VanDerWaalsContact O-N 3.09Å; W281-I284 HydrophobicContact CE3-CB 4.41Å; W281-I284 HydrophobicContact CE3-CD1 4.22Å; W281-I284 HydrophobicContact CE3-CG2 4.41Å; W281-I284 HydrophobicContact CZ3-CD1 4.24Å; W281-I284 HydrophobicContact CZ3-CG2 4.43Å; W281-I284 PolarHBondContact O-N 3.47Å; I284-Q286 VanDerWaalsContact C-N 3.29Å; I284-Q286 PolarHBondContact O-N 2.75Å; I284-N287 PolarHBondContact O-N 2.95Å; I284-S288 PolarHBondContact O-N 3.35Å
285V83.5Confident81.9Confident20 Ų2091.6 Ų91.612%0.12146%0.459CS..Hα-helixtrans-69.6-30.7-178.6174.40000111.1H7 I11 W281H7-V285 HydrophobicContact CB-CG1 4.15Å; I11-V285 HydrophobicContact CD1-CB 4.04Å; I11-V285 HydrophobicContact CD1-CG1 4.05Å; I11-V285 HydrophobicContact CD1-CG2 4.43Å; I11-V285 HydrophobicContact CG1-CB 4.02Å; I11-V285 HydrophobicContact CG1-CG1 4.23Å; I11-V285 HydrophobicContact CG1-CG2 3.85Å; W281-V285 WeakPolarHBondContact O-CB 3.47Å; W281-V285 VanDerWaalsContact O-CG2 3.29Å; W281-V285 WeakPolarHBondContact O-CG2 3.45Å; W281-V285 PolarHBondContact O-N 3.38Å
286Q80Confident81.7Confident102 Ų10292.1 Ų92.148%0.47746%0.46SS..Hα-helixtrans-70.7-45.5171.8-75174.9-11.400112T282 L283 I284 S288 K289T282-Q286 HydrophobicContact CG2-CG 4.26Å; T282-Q286 WeakPolarHBondContact O-CB 3Å; T282-Q286 WeakPolarHBondContact O-CG 3.47Å; T282-Q286 PolarHBondContact O-N 3.01Å; L283-Q286 PolarHBondContact O-N 3.23Å; I284-Q286 VanDerWaalsContact C-N 3.29Å; I284-Q286 PolarHBondContact O-N 2.75Å; Q286-S288 VanDerWaalsContact C-N 3.25Å; Q286-S288 PolarHBondContact O-N 3.36Å; Q286-K289 VanDerWaalsContact O-CB 3.24Å; Q286-K289 WeakPolarHBondContact O-CB 3.34Å; Q286-K289 WeakPolarHBondContact O-CG 3.28Å; Q286-K289 PolarHBondContact O-N 3.22Å
287N76.8Confident81Confident105 Ų10590.3 Ų90.356%0.56145%0.45SS*.Hα-helixtrans-65.3-27.2177.6-71.5-7.1000112.8L283 I284 K289 D290L283-N287 VanDerWaalsContact O-CB 3.3Å; L283-N287 WeakPolarHBondContact O-CB 3.26Å; L283-N287 PolarHBondContact O-N 2.95Å; L283-N287 PolarHBondContact O-ND2 2.98Å; L283-N287 PolarHBondContact O-OD1 3.21Å; I284-N287 PolarHBondContact O-N 2.95Å; N287-K289 PolarHBondContact O-N 3.47Å; N287-K289 VanDerWaalsContact O-N 3.12Å; N287-D290 PolarHBondContact O-N 3.39Å
288S72Confident80.4Confident99 Ų9996.7 Ų96.769%0.69248%0.48SS*.THydrogen-bonded Turntrans-67.5-3.1173-175.80000113.7I284 Q286I284-S288 PolarHBondContact O-N 3.35Å; Q286-S288 VanDerWaalsContact C-N 3.25Å; Q286-S288 PolarHBondContact O-N 3.36Å
289K61.8Low79.7Confident128 Ų128101.8 Ų101.856%0.55750%0.502SS*.THydrogen-bonded Turntrans-87.8-18.1174.2-63.8-177.8174.4-177.50113.6Q286 N287Q286-K289 VanDerWaalsContact O-CB 3.24Å; Q286-K289 WeakPolarHBondContact O-CB 3.34Å; Q286-K289 WeakPolarHBondContact O-CG 3.28Å; Q286-K289 PolarHBondContact O-N 3.22Å; N287-K289 PolarHBondContact O-N 3.47Å; N287-K289 VanDerWaalsContact O-N 3.12Å
290D49.1Very low78.9Confident202 Ų20294.4 Ų94.4100%1.0849%0.485SS*.  trans-97.80179.8-62.7-23.5000110.9N287N287-D290 PolarHBondContact O-N 3.39Å

Retrieved 290 of 290 residues in 561.5 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).