A0A087WR67_MOUSE Loading...

Free fatty acid receptor 2

AlphaFold DB , UniProt , Accession A0A087WR67, Species MOUSE (Mus musculus, Mouse), Gene Ffar2, Length 182 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
1M42.3Very low68.7Low241 Ų241109.9 Ų109.9100%1.18756%0.563SS**  0101.20-92.999.1176.700108.3
2T45.4Very low70.1Confident124 Ų124106.8 Ų106.876%0.76155%0.554SS**PPolyproline II helixtrans-72.4132165.343.20000107.5D4T2-D4 PolarHBondContact O-N 3.49Å
3P54.6Low71.6Confident83 Ų83101.8 Ų101.854%0.53954%0.538SS..PPolyproline II helixtrans-62.6128170.426.8-31.3000107.9W5P3-W5 PolarHBondContact O-N 3.07Å
4D69.1Low72.6Confident110 Ų11098.8 Ų98.859%0.58852%0.516SS*.PPolyproline II helixtrans-55.3130.1172.2-64.5-46.6000108.3T2 H6 S7 S8T2-D4 PolarHBondContact O-N 3.49Å; D4-H6 PolarHBondContact O-N 3.23Å; D4-S7 PolarHBondContact O-N 3.3Å; D4-S8 PolarHBondContact O-N 3.34Å
5W71.3Confident73.7Confident215 Ų21596.5 Ų96.581%0.81450%0.504SS*.Hα-helixtrans-54.2-32.9-174.7-64.2101.9000112.2P3 S8 L9P3-W5 PolarHBondContact O-N 3.07Å; W5-S8 PolarHBondContact O-N 3.25Å; W5-L9 WeakPolarHBondContact O-CB 3.46Å; W5-L9 VanDerWaalsContact O-CG 3.23Å; W5-L9 WeakPolarHBondContact O-CG 3.32Å; W5-L9 PolarHBondContact O-N 3Å
6H72.6Confident74.9Confident146 Ų14696.6 Ų96.668%0.67650%0.504SS*.Hα-helixtrans-60.3-48.9174.9-68.4-74.8000113D4 S8 L9 I10D4-H6 PolarHBondContact O-N 3.23Å; H6-S8 VanDerWaalsContact C-N 3.31Å; H6-S8 PolarHBondContact O-N 3.5Å; H6-L9 PolarHBondContact O-N 2.69Å; H6-I10 VanDerWaalsContact O-CG1 3.32Å; H6-I10 WeakPolarHBondContact O-CG1 3.46Å; H6-I10 PolarHBondContact O-N 3.01Å
7S72.3Confident75.9Confident26 Ų2695.6 Ų95.618%0.18250%0.499CS..Hα-helixtrans-62.9-40-179.6-48.10000111.4D4 I10 L11 F73D4-S7 PolarHBondContact O-N 3.3Å; S7-I10 PolarHBondContact O-N 3.37Å; S7-L11 WeakPolarHBondContact O-CB 3.49Å; S7-L11 PolarHBondContact O-N 3.34Å; S7-F73 WeakPolarHBondContact OG-CE2 3.38Å
8S78.8Confident76.7Confident41 Ų4193.3 Ų93.329%0.28748%0.484SS..Hα-helixtrans-66.6-40177.7-590000112.2D4 W5 H6 T12D4-S8 PolarHBondContact O-N 3.34Å; W5-S8 PolarHBondContact O-N 3.25Å; H6-S8 VanDerWaalsContact C-N 3.31Å; H6-S8 PolarHBondContact O-N 3.5Å; S8-T12 WeakPolarHBondContact O-CB 3.38Å; S8-T12 PolarHBondContact O-N 2.85Å; S8-T12 PolarHBondContact O-OG1 3.33Å
9L85.4Confident77.6Confident118 Ų11894.1 Ų94.162%0.61849%0.488SS*.Hα-helixtrans-65.2-45.8176.1-74169000111.8W5 H6 T12 A13W5-L9 WeakPolarHBondContact O-CB 3.46Å; W5-L9 VanDerWaalsContact O-CG 3.23Å; W5-L9 WeakPolarHBondContact O-CG 3.32Å; W5-L9 PolarHBondContact O-N 3Å; H6-L9 PolarHBondContact O-N 2.69Å; L9-T12 PolarHBondContact O-N 3.35Å; L9-A13 WeakPolarHBondContact O-CB 3.44Å; L9-A13 PolarHBondContact O-N 2.9Å
10I80.3Confident78.4Confident61 Ų6193.9 Ų93.931%0.31349%0.492SS..Hα-helixtrans-60.9-48.1178.6-68165.4000110.5H6 S7 T12 A13 Y14 F73H6-I10 VanDerWaalsContact O-CG1 3.32Å; H6-I10 WeakPolarHBondContact O-CG1 3.46Å; H6-I10 PolarHBondContact O-N 3.01Å; S7-I10 PolarHBondContact O-N 3.37Å; I10-T12 VanDerWaalsContact C-N 3.34Å; I10-T12 PolarHBondContact O-N 2.86Å; I10-A13 PolarHBondContact O-N 3.46Å; I10-Y14 HydrophobicContact CG2-CD2 3.91Å; I10-Y14 HydrophobicContact CG2-CE1 4.24Å; I10-Y14 HydrophobicContact CG2-CE2 3.47Å; I10-Y14 VanDerWaalsContact CG2-CE2 3.47Å; I10-Y14 HydrophobicContact CG2-CG 4.45Å; I10-Y14 WeakPolarHBondContact O-CB 3.49Å; I10-Y14 PolarHBondContact O-N 3.44Å; I10-F73 HydrophobicContact CD1-CZ 4.28Å
11L83.3Confident79Confident44 Ų4490 Ų9023%0.2347%0.474CS..Hα-helixtrans-60.2-44.8178.5-177.1125.2000111.7S7 Y14 I15 I66 A69 A70S7-L11 WeakPolarHBondContact O-CB 3.49Å; S7-L11 PolarHBondContact O-N 3.34Å; L11-Y14 PolarHBondContact O-N 3.28Å; L11-I15 HydrophobicContact CD2-CD1 3.72Å; L11-I15 HydrophobicContact CG-CD1 4.07Å; L11-I15 VanDerWaalsContact O-CG1 3.32Å; L11-I15 WeakPolarHBondContact O-CG1 3.49Å; L11-I15 PolarHBondContact O-N 2.82Å; L11-I66 HydrophobicContact CD1-CG2 4.41Å; L11-A69 HydrophobicContact CB-CB 4.46Å; L11-A69 HydrophobicContact CD1-CB 4.12Å; L11-A70 HydrophobicContact CD1-CB 3.75Å
12T86.6Confident81.4Confident73 Ų7381.2 Ų81.245%0.44843%0.432SS..Hα-helixtrans-62.6-45.7177.5-56.20000111.2S8 L9 I10 Y14 I15 L16S8-T12 WeakPolarHBondContact O-CB 3.38Å; S8-T12 PolarHBondContact O-N 2.85Å; S8-T12 PolarHBondContact O-OG1 3.33Å; L9-T12 PolarHBondContact O-N 3.35Å; I10-T12 VanDerWaalsContact C-N 3.34Å; I10-T12 PolarHBondContact O-N 2.86Å; T12-Y14 PolarHBondContact O-N 3.06Å; T12-I15 PolarHBondContact O-N 3.45Å; T12-L16 HydrophobicContact CG2-CD1 4.1Å; T12-L16 HydrophobicContact CG2-CG 4.49Å; T12-L16 WeakPolarHBondContact O-CG 3.42Å; T12-L16 PolarHBondContact O-N 2.98Å
13A88.4Confident83.6Confident42 Ų4278.8 Ų78.835%0.34742%0.418SS..Hα-helixtrans-60.2-45.6177.700000111.5L9 I10 I15 L16 I17L9-A13 WeakPolarHBondContact O-CB 3.44Å; L9-A13 PolarHBondContact O-N 2.9Å; I10-A13 PolarHBondContact O-N 3.46Å; A13-I15 PolarHBondContact O-N 3.29Å; A13-L16 PolarHBondContact O-N 3Å; A13-I17 WeakPolarHBondContact O-CB 3.43Å; A13-I17 WeakPolarHBondContact O-CD1 3.18Å; A13-I17 WeakPolarHBondContact O-CG1 3.28Å; A13-I17 PolarHBondContact O-N 2.9Å
14Y86.3Confident85.5Confident59 Ų5977.5 Ų77.523%0.23142%0.415CS..Hα-helixtrans-60.5-44.5177.4-75-8.4000112.9I10 L11 T12 L16 I17 F18 L62 R65 I66I10-Y14 HydrophobicContact CG2-CD2 3.91Å; I10-Y14 HydrophobicContact CG2-CE1 4.24Å; I10-Y14 HydrophobicContact CG2-CE2 3.47Å; I10-Y14 VanDerWaalsContact CG2-CE2 3.47Å; I10-Y14 HydrophobicContact CG2-CG 4.45Å; I10-Y14 WeakPolarHBondContact O-CB 3.49Å; I10-Y14 PolarHBondContact O-N 3.44Å; L11-Y14 PolarHBondContact O-N 3.28Å; T12-Y14 PolarHBondContact O-N 3.06Å; Y14-L16 PolarHBondContact O-N 3.08Å; Y14-I17 PolarHBondContact O-N 3.14Å; Y14-F18 WeakPolarHBondContact O-CB 3.46Å; Y14-F18 PolarHBondContact O-N 2.62Å; Y14-L62 VanDerWaalsContact CB-CD2 3.45Å; Y14-L62 HydrophobicContact CD1-CD2 4.04Å; Y14-L62 HydrophobicContact CG-CD2 3.77Å; Y14-L62 VanDerWaalsContact O-CD2 3.28Å; Y14-L62 WeakPolarHBondContact O-CD2 3.26Å; Y14-R65 HydrophobicContact CD2-CB 4.2Å; Y14-R65 HydrophobicContact CE2-CB 3.96Å; Y14-I66 HydrophobicContact CD2-CG1 4.41Å; Y14-I66 HydrophobicContact CG-CG1 4.5Å
15I89.3Confident86.6Confident65 Ų6573.6 Ų73.633%0.33339%0.394SS..Hα-helixtrans-62.2-45.3176.6-67.9166.3000110.7L11 T12 A13 F18 L19 I66L11-I15 HydrophobicContact CD2-CD1 3.72Å; L11-I15 HydrophobicContact CG-CD1 4.07Å; L11-I15 VanDerWaalsContact O-CG1 3.32Å; L11-I15 WeakPolarHBondContact O-CG1 3.49Å; L11-I15 PolarHBondContact O-N 2.82Å; T12-I15 PolarHBondContact O-N 3.45Å; A13-I15 PolarHBondContact O-N 3.29Å; I15-F18 PolarHBondContact O-N 3.2Å; I15-L19 HydrophobicContact CG2-CD1 3.81Å; I15-L19 HydrophobicContact CG2-CG 4.31Å; I15-L19 WeakPolarHBondContact O-CB 3.15Å; I15-L19 WeakPolarHBondContact O-CG 3.49Å; I15-L19 PolarHBondContact O-N 3.23Å; I15-I66 HydrophobicContact CD1-CG2 4.49Å; I15-I66 HydrophobicContact CG1-CD1 4.07Å; I15-I66 HydrophobicContact CG1-CG1 4.35Å; I15-I66 HydrophobicContact CG1-CG2 4.16Å
16L92.4Very high87.6Confident98 Ų9867.5 Ų67.551%0.51338%0.377SS..Hα-helixtrans-63.2-44.7178.4-71.1175000111.9T12 A13 Y14 F18 L19 T20T12-L16 HydrophobicContact CG2-CD1 4.1Å; T12-L16 HydrophobicContact CG2-CG 4.49Å; T12-L16 WeakPolarHBondContact O-CG 3.42Å; T12-L16 PolarHBondContact O-N 2.98Å; A13-L16 PolarHBondContact O-N 3Å; Y14-L16 PolarHBondContact O-N 3.08Å; L16-F18 VanDerWaalsContact C-N 3.31Å; L16-F18 PolarHBondContact O-N 3.25Å; L16-L19 PolarHBondContact O-N 3.18Å; L16-T20 WeakPolarHBondContact O-CB 3.33Å; L16-T20 WeakPolarHBondContact O-CG2 3.47Å; L16-T20 PolarHBondContact O-N 3.44Å; L16-T20 PolarHBondContact O-OG1 3.12Å
17I91.8Very high88.6Confident80 Ų8066.6 Ų66.641%0.4138%0.376SS..Hα-helixtrans-61.1-41.9176.7-69.1162.6000110.3A13 Y14 G21 L59 L62A13-I17 WeakPolarHBondContact O-CB 3.43Å; A13-I17 WeakPolarHBondContact O-CD1 3.18Å; A13-I17 WeakPolarHBondContact O-CG1 3.28Å; A13-I17 PolarHBondContact O-N 2.9Å; Y14-I17 PolarHBondContact O-N 3.14Å; I17-G21 WeakPolarHBondContact O-CA 3.37Å; I17-G21 PolarHBondContact O-N 3.14Å; I17-L59 HydrophobicContact CG2-CD2 4.03Å; I17-L59 WeakPolarHBondContact O-CD2 3.36Å; I17-L62 HydrophobicContact CG2-CD1 3.83Å
18F91.6Very high89.5Confident54 Ų5466.6 Ų66.624%0.23738%0.377CS..Hα-helixtrans-64.8-50.5177.6-178.3-101.5000112Y14 I15 L16 T20 L22 L59 L62 P63 I66Y14-F18 WeakPolarHBondContact O-CB 3.46Å; Y14-F18 PolarHBondContact O-N 2.62Å; I15-F18 PolarHBondContact O-N 3.2Å; L16-F18 VanDerWaalsContact C-N 3.31Å; L16-F18 PolarHBondContact O-N 3.25Å; F18-T20 VanDerWaalsContact C-N 3.33Å; F18-T20 PolarHBondContact O-N 3.29Å; F18-L22 HydrophobicContact CE2-CD1 4.14Å; F18-L22 HydrophobicContact CZ-CD2 4.19Å; F18-L22 WeakPolarHBondContact O-CB 3.48Å; F18-L22 PolarHBondContact O-N 3.24Å; F18-L59 VanDerWaalsContact CD2-O 3.27Å; F18-L59 WeakPolarHBondContact CD2-O 3.48Å; F18-L59 VanDerWaalsContact CE2-O 3.3Å; F18-L59 WeakPolarHBondContact CE2-O 3.34Å; F18-L62 HydrophobicContact CB-CD2 4.49Å; F18-P63 HydrophobicContact CD2-CG 4.05Å; F18-P63 HydrophobicContact CE2-CG 3.64Å; F18-P63 HydrophobicContact CZ-CG 4.07Å; F18-I66 HydrophobicContact CB-CD1 4.5Å
19L92.8Very high90.2Very high107 Ų10765.9 Ų65.956%0.5637%0.37SS*.Hα-helixtrans-65.4-34.6-176.9-72.2176.6000113.1I15 L16 P23I15-L19 HydrophobicContact CG2-CD1 3.81Å; I15-L19 HydrophobicContact CG2-CG 4.31Å; I15-L19 WeakPolarHBondContact O-CB 3.15Å; I15-L19 WeakPolarHBondContact O-CG 3.49Å; I15-L19 PolarHBondContact O-N 3.23Å; L16-L19 PolarHBondContact O-N 3.18Å; L19-P23 WeakPolarHBondContact O-CD 3.44Å; L19-P23 WeakPolarHBondContact O-CG 3.3Å
20T93Very high90.4Very high91 Ų9169.6 Ų69.656%0.55838%0.376SS*.Hα-helixtrans-89.9-41179.758.70000112.1L16 F18 P23 A24L16-T20 WeakPolarHBondContact O-CB 3.33Å; L16-T20 WeakPolarHBondContact O-CG2 3.47Å; L16-T20 PolarHBondContact O-N 3.44Å; L16-T20 PolarHBondContact O-OG1 3.12Å; F18-T20 VanDerWaalsContact C-N 3.33Å; F18-T20 PolarHBondContact O-N 3.29Å; T20-P23 WeakPolarHBondContact O-CD 3.28Å; T20-P23 WeakPolarHBondContact O-CG 3.36Å; T20-A24 VanDerWaalsContact O-CB 3.24Å; T20-A24 WeakPolarHBondContact O-CB 3.38Å; T20-A24 PolarHBondContact O-N 3.27Å
21G91.3Very high90.8Very high12 Ų1269.3 Ų69.312%0.12438%0.383CS..Hα-helixtrans-71.6-40.7-175.300000113.2I17 A24 N25 L59I17-G21 WeakPolarHBondContact O-CA 3.37Å; I17-G21 PolarHBondContact O-N 3.14Å; G21-A24 PolarHBondContact O-N 3.39Å; G21-N25 VanDerWaalsContact O-CB 3.28Å; G21-N25 WeakPolarHBondContact O-CB 3.28Å; G21-N25 PolarHBondContact O-N 2.86Å; G21-N25 PolarHBondContact O-ND2 3.22Å; G21-L59 WeakPolarHBondContact O-CD1 3.19Å
22L92.3Very high91Very high56 Ų5669.4 Ų69.429%0.29338%0.382SS..Hα-helixtrans-60.9-53.7-179.8-16589.1000112.7F18 A24 L26 L56 L59F18-L22 HydrophobicContact CE2-CD1 4.14Å; F18-L22 HydrophobicContact CZ-CD2 4.19Å; F18-L22 WeakPolarHBondContact O-CB 3.48Å; F18-L22 PolarHBondContact O-N 3.24Å; L22-A24 PolarHBondContact O-N 3.14Å; L22-L26 VanDerWaalsContact O-CB 3.28Å; L22-L26 WeakPolarHBondContact O-CB 3.31Å; L22-L26 PolarHBondContact O-N 2.88Å; L22-L56 HydrophobicContact CD1-CD2 4.45Å; L22-L59 HydrophobicContact CD1-CB 4.17Å
23P93.3Very high90.9Very high73 Ų7369.6 Ų69.647%0.47438%0.379SS..Hα-helixtrans-65.7-38.6178.525.2-33.5000112.2L19 T20 L26 L27L19-P23 WeakPolarHBondContact O-CD 3.44Å; L19-P23 WeakPolarHBondContact O-CG 3.3Å; T20-P23 WeakPolarHBondContact O-CD 3.28Å; T20-P23 WeakPolarHBondContact O-CG 3.36Å; P23-L26 PolarHBondContact O-N 3Å; P23-L27 WeakPolarHBondContact O-CB 3.21Å; P23-L27 PolarHBondContact O-N 3.35Å
24A92.9Very high90.6Very high57 Ų5769.5 Ų69.547%0.47138%0.382SS..Hα-helixtrans-62.4-48.5178.600000111.9T20 G21 L22 L27 A28T20-A24 VanDerWaalsContact O-CB 3.24Å; T20-A24 WeakPolarHBondContact O-CB 3.38Å; T20-A24 PolarHBondContact O-N 3.27Å; G21-A24 PolarHBondContact O-N 3.39Å; L22-A24 PolarHBondContact O-N 3.14Å; A24-L27 PolarHBondContact O-N 3.39Å; A24-A28 WeakPolarHBondContact O-CB 3.3Å; A24-A28 PolarHBondContact O-N 2.88Å
25N93.5Very high90.2Very high28 Ų2873.9 Ų73.915%0.1540%0.398CS..Hα-helixtrans-69.9-33.5179.5-78.8-72000112.6G21 A28 L29 L56 L59G21-N25 VanDerWaalsContact O-CB 3.28Å; G21-N25 WeakPolarHBondContact O-CB 3.28Å; G21-N25 PolarHBondContact O-N 2.86Å; G21-N25 PolarHBondContact O-ND2 3.22Å; N25-A28 PolarHBondContact O-N 3.38Å; N25-L29 VanDerWaalsContact O-CB 3.31Å; N25-L29 WeakPolarHBondContact O-CB 3.38Å; N25-L29 PolarHBondContact O-N 2.92Å; N25-L56 HydrophobicContact CB-CD2 3.75Å; N25-L56 HydrophobicContact CB-CG 3.96Å; N25-L59 HydrophobicContact CB-CD1 4.2Å; N25-L59 WeakPolarHBondContact ND2-CD1 3.42Å
26L92.7Very high89.7Confident87 Ų8772.6 Ų72.646%0.45539%0.393SS..Hα-helixtrans-66.9-40.2174.8-173.862.5000111.9L22 P23 L29 R30L22-L26 VanDerWaalsContact O-CB 3.28Å; L22-L26 WeakPolarHBondContact O-CB 3.31Å; L22-L26 PolarHBondContact O-N 2.88Å; P23-L26 PolarHBondContact O-N 3Å; L26-L29 HydrophobicContact CD1-CD2 4.49Å; L26-L29 PolarHBondContact O-N 2.99Å; L26-R30 VanDerWaalsContact O-CG 3.28Å; L26-R30 WeakPolarHBondContact O-CG 3.32Å; L26-R30 PolarHBondContact O-N 2.98Å
27L92.9Very high88.9Confident127 Ų12777.3 Ų77.367%0.66540%0.404SS*.Hα-helixtrans-64.8-43.9173.8-176.565.9000111.1P23 A24 R30 A31P23-L27 WeakPolarHBondContact O-CB 3.21Å; P23-L27 PolarHBondContact O-N 3.35Å; A24-L27 PolarHBondContact O-N 3.39Å; L27-R30 PolarHBondContact O-N 3.38Å; L27-A31 WeakPolarHBondContact O-CB 3.27Å; L27-A31 PolarHBondContact O-N 3.27Å
28A91.6Very high88.2Confident25 Ų2579.1 Ų79.121%0.20741%0.41CS..Hα-helixtrans-61-44.2175.800000111.7A24 N25 R30 A31 F32 T52A24-A28 WeakPolarHBondContact O-CB 3.3Å; A24-A28 PolarHBondContact O-N 2.88Å; N25-A28 PolarHBondContact O-N 3.38Å; A28-R30 PolarHBondContact O-N 2.94Å; A28-A31 PolarHBondContact O-N 3.26Å; A28-F32 HydrophobicContact CB-CD2 4.26Å; A28-F32 HydrophobicContact CB-CE2 3.88Å; A28-F32 WeakPolarHBondContact O-CB 3.46Å; A28-F32 WeakPolarHBondContact O-CD2 3.2Å; A28-F32 VanDerWaalsContact O-CG 3.3Å; A28-F32 WeakPolarHBondContact O-CG 3.42Å; A28-F32 PolarHBondContact O-N 2.75Å; A28-T52 HydrophobicContact CB-CG2 3.8Å
29L92Very high86.7Confident26 Ų2682.3 Ų82.314%0.13644%0.436CS..Hα-helixtrans-57.7-48.2175.7178.165.4000111.3N25 L26 A31 F32 M33 L49 L53 L56N25-L29 VanDerWaalsContact O-CB 3.31Å; N25-L29 WeakPolarHBondContact O-CB 3.38Å; N25-L29 PolarHBondContact O-N 2.92Å; L26-L29 HydrophobicContact CD1-CD2 4.49Å; L26-L29 PolarHBondContact O-N 2.99Å; L29-A31 VanDerWaalsContact C-N 3.33Å; L29-A31 PolarHBondContact O-N 3.39Å; L29-F32 PolarHBondContact O-N 3.47Å; L29-M33 HydrophobicContact CD1-CE 4.2Å; L29-M33 HydrophobicContact CG-CE 4.32Å; L29-M33 WeakPolarHBondContact O-CB 3.42Å; L29-M33 PolarHBondContact O-N 2.83Å; L29-L49 HydrophobicContact CD1-CD1 3.56Å; L29-L53 HydrophobicContact CD1-CD2 3.98Å; L29-L53 HydrophobicContact CD1-CG 4.4Å; L29-L56 HydrophobicContact CB-CD1 4.29Å; L29-L56 HydrophobicContact CD2-CD1 3.67Å; L29-L56 HydrophobicContact CG-CD1 4.47Å
30R90.8Very high85.4Confident196 Ų19684.8 Ų84.874%0.7445%0.445SS*.Hα-helixtrans-58-45.8176.3-72-93.9-172.9167.80.7111.3L26 L27 A28 G34L26-R30 VanDerWaalsContact O-CG 3.28Å; L26-R30 WeakPolarHBondContact O-CG 3.32Å; L26-R30 PolarHBondContact O-N 2.98Å; L27-R30 PolarHBondContact O-N 3.38Å; A28-R30 PolarHBondContact O-N 2.94Å; R30-G34 PolarHBondContact O-N 3Å
31A88.7Confident84.4Confident56 Ų5681.6 Ų81.646%0.46343%0.426SS..Hα-helixtrans-66-47.7-179.600000112.2L27 A28 L29 G34 R35L27-A31 WeakPolarHBondContact O-CB 3.27Å; L27-A31 PolarHBondContact O-N 3.27Å; A28-A31 PolarHBondContact O-N 3.26Å; L29-A31 VanDerWaalsContact C-N 3.33Å; L29-A31 PolarHBondContact O-N 3.39Å; A31-G34 PolarHBondContact O-N 2.96Å; A31-R35 WeakPolarHBondContact O-CG 3.31Å; A31-R35 PolarHBondContact O-N 3.02Å
32F87.3Confident83.7Confident46 Ų4681.5 Ų81.520%0.20242%0.424CS..Hα-helixtrans-70.5-34.3-178.7-62.8-36.3000112.7A28 L29 G34 R35 V36 L48 L49 T52A28-F32 HydrophobicContact CB-CD2 4.26Å; A28-F32 HydrophobicContact CB-CE2 3.88Å; A28-F32 WeakPolarHBondContact O-CB 3.46Å; A28-F32 WeakPolarHBondContact O-CD2 3.2Å; A28-F32 VanDerWaalsContact O-CG 3.3Å; A28-F32 WeakPolarHBondContact O-CG 3.42Å; A28-F32 PolarHBondContact O-N 2.75Å; L29-F32 PolarHBondContact O-N 3.47Å; F32-G34 VanDerWaalsContact C-N 3.26Å; F32-G34 PolarHBondContact O-N 3.28Å; F32-R35 CarbonylContact O-C 3.51Å; F32-R35 WeakPolarHBondContact O-CA 3.44Å; F32-R35 PolarHBondContact O-N 3.36Å; F32-V36 WeakPolarHBondContact O-CG2 3.37Å; F32-V36 PolarHBondContact O-N 2.95Å; F32-L48 HydrophobicContact CD2-CB 4.08Å; F32-L48 HydrophobicContact CE1-CB 4.46Å; F32-L48 HydrophobicContact CE1-CD1 4.23Å; F32-L48 HydrophobicContact CE2-CB 3.96Å; F32-L48 HydrophobicContact CE2-CD2 4.12Å; F32-L48 HydrophobicContact CG-CB 4.39Å; F32-L48 HydrophobicContact CZ-CB 4.18Å; F32-L48 HydrophobicContact CZ-CD1 4.3Å; F32-L48 HydrophobicContact CZ-CD2 3.92Å; F32-L48 HydrophobicContact CZ-CG 4.38Å; F32-L49 HydrophobicContact CB-CD1 4.21Å; F32-T52 HydrophobicContact CD2-CG2 3.69Å; F32-T52 HydrophobicContact CE2-CG2 3.67Å
33M84.8Confident83.1Confident77 Ų7778.9 Ų78.938%0.37941%0.41SS..Hα-helixtrans-59.9-38173.4-170.1175.9-65.100111.8L29 R35 R37L29-M33 HydrophobicContact CD1-CE 4.2Å; L29-M33 HydrophobicContact CG-CE 4.32Å; L29-M33 WeakPolarHBondContact O-CB 3.42Å; L29-M33 PolarHBondContact O-N 2.83Å; M33-R35 VanDerWaalsContact C-N 3.33Å; M33-R35 PolarHBondContact O-N 3.32Å; M33-R37 WeakPolarHBondContact O-CG 3.35Å; M33-R37 PolarHBondContact O-N 3.4Å
34G81.3Confident82.6Confident40 Ų4075.6 Ų75.641%0.41239%0.389SS..Hα-helixtrans-65.3-33.6172.300000113.6R30 A31 F32R30-G34 PolarHBondContact O-N 3Å; A31-G34 PolarHBondContact O-N 2.96Å; F32-G34 VanDerWaalsContact C-N 3.26Å; F32-G34 PolarHBondContact O-N 3.28Å
35R78.6Confident82.2Confident150 Ų15074.7 Ų74.757%0.56638%0.375SS*.Hα-helixtrans-78.6-33178.2-62.6-62.6-174.797.50.3113.2A31 F32 M33 Q38A31-R35 WeakPolarHBondContact O-CG 3.31Å; A31-R35 PolarHBondContact O-N 3.02Å; F32-R35 CarbonylContact O-C 3.51Å; F32-R35 WeakPolarHBondContact O-CA 3.44Å; F32-R35 PolarHBondContact O-N 3.36Å; M33-R35 VanDerWaalsContact C-N 3.33Å; M33-R35 PolarHBondContact O-N 3.32Å; R35-Q38 WeakPolarHBondContact O-CB 3.39Å; R35-Q38 PolarHBondContact O-N 2.88Å
36V77.6Confident81.9Confident38 Ų3874.5 Ų74.523%0.2337%0.374CS..Hα-helixtrans-74.2-29.2178.4170.80000111.9F32 Q38 H45 L49F32-V36 WeakPolarHBondContact O-CG2 3.37Å; F32-V36 PolarHBondContact O-N 2.95Å; V36-Q38 PolarHBondContact O-N 3.24Å; V36-H45 HydrophobicContact CG2-CB 4Å; V36-L49 HydrophobicContact CG1-CD2 4.48Å; V36-L49 HydrophobicContact CG2-CB 4.44Å; V36-L49 HydrophobicContact CG2-CD2 4.23Å
37R76.8Confident81.6Confident197 Ų19770.4 Ų70.474%0.74335%0.352SS*.THydrogen-bonded Turntrans-70.3-5.4174.7-78.6-178.6178153.51.7114.8M33M33-R37 WeakPolarHBondContact O-CG 3.35Å; M33-R37 PolarHBondContact O-N 3.4Å
38Q76.8Confident81.4Confident118 Ų11865.9 Ų65.955%0.55133%0.329SS*.SBendtrans-71.1151.5175.5-68.4-70-26.100110.8R35 V36 Q40 P41R35-Q38 WeakPolarHBondContact O-CB 3.39Å; R35-Q38 PolarHBondContact O-N 2.88Å; V36-Q38 PolarHBondContact O-N 3.24Å; Q38-Q40 PolarHBondContact O-N 3.01Å; Q38-P41 WeakPolarHBondContact O-CD 3.45Å
39P60.7Low81.3Confident121 Ų12166.2 Ų66.279%0.78633%0.327SS*.SBendtrans-61-21.8-173.5-23.432.6000115.4
40Q65.1Low81.3Confident159 Ų15966.5 Ų66.574%0.74333%0.328SS*.SBendtrans-138.472.7179.3-66-174.2-5.100110.9Q38Q38-Q40 PolarHBondContact O-N 3.01Å
41P71.9Confident81.3Confident25 Ų2558 Ų5816%0.16230%0.297CS..  trans-68.9137.7-178.429.8-30.2000109.7Q38Q38-P41 WeakPolarHBondContact O-CD 3.45Å
42A76.8Confident81.5Confident9 Ų955.6 Ų55.67%0.07428%0.277CS..  trans-62.9143.2171.700000110.1V44 H45A42-V44 HydrophobicContact CB-CG1 3.8Å; A42-V44 PolarHBondContact O-N 3.4Å; A42-V44 VanDerWaalsContact O-N 3.14Å; A42-H45 WeakPolarHBondContact O-CB 3.5Å; A42-H45 PolarHBondContact O-N 2.86Å
43P79.2Confident81.6Confident1 Ų157.1 Ų57.11%0.00629%0.287CS..Hα-helixtrans-52-38.2176.2-24.431.9000112.7H45 I46 L47 R121 R122P43-H45 VanDerWaalsContact C-N 3.26Å; P43-H45 PolarHBondContact O-N 2.89Å; P43-I46 WeakPolarHBondContact O-CB 3.26Å; P43-I46 PolarHBondContact O-N 3.18Å; P43-I46 VanDerWaalsContact O-N 3.08Å; P43-L47 PolarHBondContact O-N 3.32Å; P43-L47 VanDerWaalsContact O-N 3.14Å; P43-R121 HydrophobicContact CG-CG 4.5Å; P43-R122 WeakPolarHBondContact CG-O 3.39Å
44V82.5Confident81.9Confident5 Ų553.5 Ų53.53%0.0327%0.269CS..Hα-helixtrans-58.2-31.9175.872.60000113.8A42 I46 L47 L48 I103A42-V44 HydrophobicContact CB-CG1 3.8Å; A42-V44 PolarHBondContact O-N 3.4Å; A42-V44 VanDerWaalsContact O-N 3.14Å; V44-I46 VanDerWaalsContact C-N 3.34Å; V44-L47 PolarHBondContact O-N 3.16Å; V44-L48 HydrophobicContact CG2-CD1 3.96Å; V44-L48 HydrophobicContact CG2-CG 4.46Å; V44-L48 VanDerWaalsContact O-CB 3.31Å; V44-L48 WeakPolarHBondContact O-CB 3.47Å; V44-L48 WeakPolarHBondContact O-CD1 3.06Å; V44-L48 VanDerWaalsContact O-CG 3.27Å; V44-L48 WeakPolarHBondContact O-CG 3.34Å; V44-L48 PolarHBondContact O-N 3.2Å; V44-I103 HydrophobicContact CG2-CG2 4.07Å
45H85.8Confident82.4Confident38 Ų3853.5 Ų53.518%0.17626%0.26CS..Hα-helixtrans-71-31.9177.5-68.5-46.7000112.3V36 A42 P43 L49V36-H45 HydrophobicContact CG2-CB 4Å; A42-H45 WeakPolarHBondContact O-CB 3.5Å; A42-H45 PolarHBondContact O-N 2.86Å; P43-H45 VanDerWaalsContact C-N 3.26Å; P43-H45 PolarHBondContact O-N 2.89Å; H45-L49 WeakPolarHBondContact O-CB 3.43Å; H45-L49 PolarHBondContact O-N 3.45Å
46I85.6Confident83Confident23 Ų2347.4 Ų47.412%0.11824%0.238CC..Hα-helixtrans-71-42.7175.2-60.3173000109.8P43 V44 L49 N50 P123 V127P43-I46 WeakPolarHBondContact O-CB 3.26Å; P43-I46 PolarHBondContact O-N 3.18Å; P43-I46 VanDerWaalsContact O-N 3.08Å; V44-I46 VanDerWaalsContact C-N 3.34Å; I46-L49 PolarHBondContact O-N 3.05Å; I46-N50 PolarHBondContact O-N 2.9Å; I46-N50 PolarHBondContact O-ND2 3.44Å; I46-P123 HydrophobicContact CD1-CB 3.76Å; I46-V127 HydrophobicContact CD1-CG2 4.03Å; I46-V127 HydrophobicContact CG2-CG2 4.1Å
47L86.8Confident83.6Confident2 Ų248.7 Ų48.71%0.0124%0.243CC..Hα-helixtrans-62.6-46.5175.2-74.7161.5000111.8P43 V44 L49 N50 L51 L99 I103 E106 A129 A130P43-L47 PolarHBondContact O-N 3.32Å; P43-L47 VanDerWaalsContact O-N 3.14Å; V44-L47 PolarHBondContact O-N 3.16Å; L47-L49 VanDerWaalsContact C-N 3.3Å; L47-L49 PolarHBondContact O-N 3.38Å; L47-N50 PolarHBondContact O-N 3.35Å; L47-L51 WeakPolarHBondContact O-CB 3.42Å; L47-L51 PolarHBondContact O-N 3.47Å; L47-L99 HydrophobicContact CD2-CD2 3.73Å; L47-I103 HydrophobicContact CB-CD1 4.26Å; L47-I103 HydrophobicContact CB-CG1 3.68Å; L47-I103 HydrophobicContact CD1-CG1 4.35Å; L47-E106 HydrophobicContact CD1-CG 4.05Å; L47-A129 HydrophobicContact CD2-CB 3.97Å; L47-A130 HydrophobicContact CD2-CB 4.44Å
48L88.7Confident84.2Confident32 Ų3240.7 Ų40.717%0.16822%0.215CC..Hα-helixtrans-59.6-39.6175-80.1158.2000112F32 V44 L51 T52 I103F32-L48 HydrophobicContact CD2-CB 4.08Å; F32-L48 HydrophobicContact CE1-CB 4.46Å; F32-L48 HydrophobicContact CE1-CD1 4.23Å; F32-L48 HydrophobicContact CE2-CB 3.96Å; F32-L48 HydrophobicContact CE2-CD2 4.12Å; F32-L48 HydrophobicContact CG-CB 4.39Å; F32-L48 HydrophobicContact CZ-CB 4.18Å; F32-L48 HydrophobicContact CZ-CD1 4.3Å; F32-L48 HydrophobicContact CZ-CD2 3.92Å; F32-L48 HydrophobicContact CZ-CG 4.38Å; V44-L48 HydrophobicContact CG2-CD1 3.96Å; V44-L48 HydrophobicContact CG2-CG 4.46Å; V44-L48 VanDerWaalsContact O-CB 3.31Å; V44-L48 WeakPolarHBondContact O-CB 3.47Å; V44-L48 WeakPolarHBondContact O-CD1 3.06Å; V44-L48 VanDerWaalsContact O-CG 3.27Å; V44-L48 WeakPolarHBondContact O-CG 3.34Å; V44-L48 PolarHBondContact O-N 3.2Å; L48-L51 PolarHBondContact O-N 2.99Å; L48-T52 WeakPolarHBondContact O-CG2 3.42Å; L48-T52 PolarHBondContact O-N 2.89Å; L48-T52 PolarHBondContact O-OG1 2.91Å; L48-I103 HydrophobicContact CD2-CD1 4.17Å; L48-I103 HydrophobicContact CG-CD1 4.15Å
49L90.1Very high84.8Confident31 Ų3135.3 Ų35.316%0.16219%0.19CC..Hα-helixtrans-63.5-47.6176-174.271.6000111.3L29 F32 V36 H45 I46 L47 L51 T52 L53L29-L49 HydrophobicContact CD1-CD1 3.56Å; F32-L49 HydrophobicContact CB-CD1 4.21Å; V36-L49 HydrophobicContact CG1-CD2 4.48Å; V36-L49 HydrophobicContact CG2-CB 4.44Å; V36-L49 HydrophobicContact CG2-CD2 4.23Å; H45-L49 WeakPolarHBondContact O-CB 3.43Å; H45-L49 PolarHBondContact O-N 3.45Å; I46-L49 PolarHBondContact O-N 3.05Å; L47-L49 VanDerWaalsContact C-N 3.3Å; L47-L49 PolarHBondContact O-N 3.38Å; L49-L51 VanDerWaalsContact C-N 3.28Å; L49-L51 PolarHBondContact O-N 2.92Å; L49-T52 PolarHBondContact O-N 3.2Å; L49-T52 PolarHBondContact O-OG1 3.41Å; L49-L53 HydrophobicContact CG-CD1 4.45Å; L49-L53 WeakPolarHBondContact O-CG 3.1Å; L49-L53 PolarHBondContact O-N 2.99Å
50N90.9Very high86.2Confident32 Ų3234.6 Ų34.617%0.17118%0.179CC..Hα-helixtrans-60.6-39.1176.3-81.3-87.8000111.8I46 L47 L53 A54 L99 A130 W134I46-N50 PolarHBondContact O-N 2.9Å; I46-N50 PolarHBondContact O-ND2 3.44Å; L47-N50 PolarHBondContact O-N 3.35Å; N50-L53 PolarHBondContact O-N 3.31Å; N50-A54 PolarHBondContact O-N 3.34Å; N50-L99 HydrophobicContact CB-CD1 3.96Å; N50-L99 HydrophobicContact CB-CD2 3.98Å; N50-A130 HydrophobicContact CB-CB 4.32Å; N50-W134 PolarHBondContact OD1-NE1 3.35Å
51L90.9Very high87.1Confident17 Ų1728 Ų289%0.08915%0.149CC..Hα-helixtrans-62-48.8176.6-178.466.9000110.7L47 L48 L49 L53 A54 D55 L99 L100 I103L47-L51 WeakPolarHBondContact O-CB 3.42Å; L47-L51 PolarHBondContact O-N 3.47Å; L48-L51 PolarHBondContact O-N 2.99Å; L49-L51 VanDerWaalsContact C-N 3.28Å; L49-L51 PolarHBondContact O-N 2.92Å; L51-L53 PolarHBondContact O-N 3.47Å; L51-A54 PolarHBondContact O-N 3.48Å; L51-A54 VanDerWaalsContact O-N 3.15Å; L51-D55 PolarHBondContact O-N 3.46Å; L51-L99 HydrophobicContact CB-CB 4.38Å; L51-L99 HydrophobicContact CB-CD1 4.24Å; L51-L99 HydrophobicContact CD1-CB 4.12Å; L51-L99 HydrophobicContact CD1-CD1 4.45Å; L51-L100 HydrophobicContact CD1-CG 4.19Å; L51-L100 HydrophobicContact CD2-CD2 3.75Å; L51-L100 HydrophobicContact CD2-CG 4.17Å; L51-I103 HydrophobicContact CD2-CD1 3.89Å
52T93Very high87.7Confident6 Ų627 Ų274%0.03714%0.143CC..Hα-helixtrans-62.4-31.7177.155.40000113.2A28 F32 L48 L49 L56A28-T52 HydrophobicContact CB-CG2 3.8Å; F32-T52 HydrophobicContact CD2-CG2 3.69Å; F32-T52 HydrophobicContact CE2-CG2 3.67Å; L48-T52 WeakPolarHBondContact O-CG2 3.42Å; L48-T52 PolarHBondContact O-N 2.89Å; L48-T52 PolarHBondContact O-OG1 2.91Å; L49-T52 PolarHBondContact O-N 3.2Å; L49-T52 PolarHBondContact O-OG1 3.41Å; T52-L56 WeakPolarHBondContact O-CB 3.24Å; T52-L56 WeakPolarHBondContact O-CG 3.28Å; T52-L56 PolarHBondContact O-N 3.11Å
53L90.3Very high88.1Confident79 Ų7928.8 Ų28.841%0.41415%0.153SC..Hα-helixtrans-70.7-41.6175.3-70.7171.6000111.6L29 L49 N50 L51 L56 L57L29-L53 HydrophobicContact CD1-CD2 3.98Å; L29-L53 HydrophobicContact CD1-CG 4.4Å; L49-L53 HydrophobicContact CG-CD1 4.45Å; L49-L53 WeakPolarHBondContact O-CG 3.1Å; L49-L53 PolarHBondContact O-N 2.99Å; N50-L53 PolarHBondContact O-N 3.31Å; L51-L53 PolarHBondContact O-N 3.47Å; L53-L56 PolarHBondContact O-N 3.29Å; L53-L57 PolarHBondContact O-N 2.99Å
54A91.1Very high88.2Confident0 Ų032.4 Ų32.40%017%0.169CC..Hα-helixtrans-63.2-43.7174.400000111.5N50 L51 L56 L57 L58 C95N50-A54 PolarHBondContact O-N 3.34Å; L51-A54 PolarHBondContact O-N 3.48Å; L51-A54 VanDerWaalsContact O-N 3.15Å; A54-L56 PolarHBondContact O-N 2.9Å; A54-L57 WeakPolarHBondContact O-CB 3.25Å; A54-L57 PolarHBondContact O-N 3.28Å; A54-L58 PolarHBondContact O-N 3.47Å; A54-C95 HydrophobicContact CB-CB 4.43Å
55D92.3Very high88Confident40 Ų4033 Ų3321%0.21417%0.171CC..Hα-helixtrans-66.2-38177.9-66.6-18.6000111.8L51 L58 L59 S96L51-D55 PolarHBondContact O-N 3.46Å; D55-L58 WeakPolarHBondContact O-CB 3.4Å; D55-L58 PolarHBondContact O-N 2.88Å; D55-L59 WeakPolarHBondContact O-CB 3.48Å; D55-L59 WeakPolarHBondContact O-CD1 3.45Å; D55-L59 WeakPolarHBondContact O-CG 3.43Å; D55-L59 PolarHBondContact O-N 2.87Å; D55-S96 PolarHBondContact OD1-OG 3.4Å
56L91.3Very high87.7Confident23 Ų2332.7 Ų32.712%0.1217%0.17CC..Hα-helixtrans-64.8-40.3172.8-75.8170.5000112L22 N25 L29 T52 L53 A54 L58 L59 L60L22-L56 HydrophobicContact CD1-CD2 4.45Å; N25-L56 HydrophobicContact CB-CD2 3.75Å; N25-L56 HydrophobicContact CB-CG 3.96Å; L29-L56 HydrophobicContact CB-CD1 4.29Å; L29-L56 HydrophobicContact CD2-CD1 3.67Å; L29-L56 HydrophobicContact CG-CD1 4.47Å; T52-L56 WeakPolarHBondContact O-CB 3.24Å; T52-L56 WeakPolarHBondContact O-CG 3.28Å; T52-L56 PolarHBondContact O-N 3.11Å; L53-L56 PolarHBondContact O-N 3.29Å; A54-L56 PolarHBondContact O-N 2.9Å; L56-L58 VanDerWaalsContact C-N 3.33Å; L56-L59 PolarHBondContact O-N 3.21Å; L56-L60 WeakPolarHBondContact O-CB 3.43Å; L56-L60 VanDerWaalsContact O-CG 3.25Å; L56-L60 WeakPolarHBondContact O-CG 3.27Å; L56-L60 PolarHBondContact O-N 2.92Å
57L89.8Confident87.4Confident64 Ų6435.5 Ų35.534%0.33519%0.188SC..Hα-helixtrans-60-45.7174.8-178.564.2000110.9L53 A54 L59 L60 L61L53-L57 PolarHBondContact O-N 2.99Å; A54-L57 WeakPolarHBondContact O-CB 3.25Å; A54-L57 PolarHBondContact O-N 3.28Å; L57-L59 PolarHBondContact O-N 3.44Å; L57-L60 PolarHBondContact O-N 3.38Å; L57-L61 HydrophobicContact CG-CD1 4.41Å; L57-L61 WeakPolarHBondContact O-CG 3.49Å; L57-L61 PolarHBondContact O-N 2.88Å
58L89Confident86.8Confident30 Ų3036 Ų3616%0.15719%0.19CC..Hα-helixtrans-57.4-48.2174.3-177.967.6000111.7A54 D55 L56 L60 L61 L62 F89 I93A54-L58 PolarHBondContact O-N 3.47Å; D55-L58 WeakPolarHBondContact O-CB 3.4Å; D55-L58 PolarHBondContact O-N 2.88Å; L56-L58 VanDerWaalsContact C-N 3.33Å; L58-L60 VanDerWaalsContact C-N 3.3Å; L58-L60 PolarHBondContact O-N 2.97Å; L58-L61 PolarHBondContact O-N 3.15Å; L58-L61 VanDerWaalsContact O-N 3.12Å; L58-L62 PolarHBondContact O-N 2.8Å; L58-F89 HydrophobicContact CD1-CB 4.31Å; L58-F89 HydrophobicContact CD1-CD1 4.43Å; L58-F89 HydrophobicContact CD1-CD2 3.23Å; L58-F89 HydrophobicContact CD1-CE2 3.49Å; L58-F89 VanDerWaalsContact CD1-CE2 3.49Å; L58-F89 HydrophobicContact CD1-CG 3.75Å; L58-F89 HydrophobicContact CD1-CZ 4.19Å; L58-F89 HydrophobicContact CG-CD2 4.44Å; L58-F89 HydrophobicContact CG-CE2 4.42Å; L58-I93 HydrophobicContact CD1-CG1 4.3Å; L58-I93 HydrophobicContact CD2-CG1 4.42Å
59L90.3Very high85.9Confident5 Ų534.8 Ų34.83%0.02619%0.185CC..Hα-helixtrans-65-31.8-179.8-71.8163.6000112.7I17 F18 G21 L22 N25 D55 L56 L57 L61 L62 P63I17-L59 HydrophobicContact CG2-CD2 4.03Å; I17-L59 WeakPolarHBondContact O-CD2 3.36Å; F18-L59 VanDerWaalsContact CD2-O 3.27Å; F18-L59 WeakPolarHBondContact CD2-O 3.48Å; F18-L59 VanDerWaalsContact CE2-O 3.3Å; F18-L59 WeakPolarHBondContact CE2-O 3.34Å; G21-L59 WeakPolarHBondContact O-CD1 3.19Å; L22-L59 HydrophobicContact CD1-CB 4.17Å; N25-L59 HydrophobicContact CB-CD1 4.2Å; N25-L59 WeakPolarHBondContact ND2-CD1 3.42Å; D55-L59 WeakPolarHBondContact O-CB 3.48Å; D55-L59 WeakPolarHBondContact O-CD1 3.45Å; D55-L59 WeakPolarHBondContact O-CG 3.43Å; D55-L59 PolarHBondContact O-N 2.87Å; L56-L59 PolarHBondContact O-N 3.21Å; L57-L59 PolarHBondContact O-N 3.44Å; L59-L61 VanDerWaalsContact C-N 3.33Å; L59-L62 HydrophobicContact CD2-CD1 4.14Å; L59-L62 WeakPolarHBondContact O-CB 3.4Å; L59-P63 WeakPolarHBondContact O-CD 3.41Å
60L88.9Confident85Confident106 Ų10636.4 Ų36.456%0.55520%0.203SC*.Hα-helixtrans-71.7-27.2174.3-72171.8000112.7L56 L57 L58 P63L56-L60 WeakPolarHBondContact O-CB 3.43Å; L56-L60 VanDerWaalsContact O-CG 3.25Å; L56-L60 WeakPolarHBondContact O-CG 3.27Å; L56-L60 PolarHBondContact O-N 2.92Å; L57-L60 PolarHBondContact O-N 3.38Å; L58-L60 VanDerWaalsContact C-N 3.3Å; L58-L60 PolarHBondContact O-N 2.97Å; L60-P63 WeakPolarHBondContact O-CD 3.38Å
61L84.8Confident84Confident21 Ų2136.4 Ų36.411%0.1121%0.205CC..Hα-helixtrans-85.8-20.6176.8-65.4172.3000112.9L57 L58 L59 F64 R65 G88L57-L61 HydrophobicContact CG-CD1 4.41Å; L57-L61 WeakPolarHBondContact O-CG 3.49Å; L57-L61 PolarHBondContact O-N 2.88Å; L58-L61 PolarHBondContact O-N 3.15Å; L58-L61 VanDerWaalsContact O-N 3.12Å; L59-L61 VanDerWaalsContact C-N 3.33Å; L61-F64 WeakPolarHBondContact O-CB 3.14Å; L61-F64 PolarHBondContact O-N 2.88Å; L61-F64 VanDerWaalsContact O-N 3.16Å; L61-R65 PolarHBondContact O-N 3.38Å; L61-G88 VanDerWaalsContact CD1-CA 3.42Å
62L84.4Confident83Confident4 Ų441.4 Ų41.42%0.02123%0.232CC..Hα-helixtrans-59.2-38.7-178.8-131.8146.2000114.5Y14 I17 F18 L58 L59 F64 R65 I66Y14-L62 VanDerWaalsContact CB-CD2 3.45Å; Y14-L62 HydrophobicContact CD1-CD2 4.04Å; Y14-L62 HydrophobicContact CG-CD2 3.77Å; Y14-L62 VanDerWaalsContact O-CD2 3.28Å; Y14-L62 WeakPolarHBondContact O-CD2 3.26Å; I17-L62 HydrophobicContact CG2-CD1 3.83Å; F18-L62 HydrophobicContact CB-CD2 4.49Å; L58-L62 PolarHBondContact O-N 2.8Å; L59-L62 HydrophobicContact CD2-CD1 4.14Å; L59-L62 WeakPolarHBondContact O-CB 3.4Å; L62-F64 VanDerWaalsContact C-N 3.27Å; L62-F64 PolarHBondContact O-N 3.23Å; L62-R65 WeakPolarHBondContact O-CB 3.14Å; L62-R65 PolarHBondContact O-N 2.97Å; L62-R65 VanDerWaalsContact O-N 3.09Å; L62-I66 HydrophobicContact CD2-CD1 4.04Å; L62-I66 HydrophobicContact CD2-CG1 4.27Å; L62-I66 WeakPolarHBondContact O-CG1 3.38Å; L62-I66 PolarHBondContact O-N 3.22Å
63P83.9Confident81.6Confident45 Ų4543.7 Ų43.729%0.29224%0.242SC..Hα-helixtrans-56.6-37.1172.7-28.134.6000113.8F18 L59 L60 R65 I66 V67F18-P63 HydrophobicContact CD2-CG 4.05Å; F18-P63 HydrophobicContact CE2-CG 3.64Å; F18-P63 HydrophobicContact CZ-CG 4.07Å; L59-P63 WeakPolarHBondContact O-CD 3.41Å; L60-P63 WeakPolarHBondContact O-CD 3.38Å; P63-R65 VanDerWaalsContact C-N 3.32Å; P63-R65 PolarHBondContact O-N 2.9Å; P63-I66 PolarHBondContact O-N 3.32Å; P63-V67 WeakPolarHBondContact O-CG2 3.5Å; P63-V67 PolarHBondContact O-N 3.35Å
64F81.8Confident80.3Confident78 Ų7845.6 Ų45.634%0.34224%0.243SC..Hα-helixtrans-66.2-37.4176.9-62.5-83.9000111.3L61 L62 V67 E68 W75 L77 V81 T85L61-F64 WeakPolarHBondContact O-CB 3.14Å; L61-F64 PolarHBondContact O-N 2.88Å; L61-F64 VanDerWaalsContact O-N 3.16Å; L62-F64 VanDerWaalsContact C-N 3.27Å; L62-F64 PolarHBondContact O-N 3.23Å; F64-V67 PolarHBondContact O-N 3.42Å; F64-E68 PolarHBondContact O-N 3.37Å; F64-E68 VanDerWaalsContact O-N 3.08Å; F64-W75 HydrophobicContact CB-CH2 4.23Å; F64-L77 HydrophobicContact CD1-CD1 3.93Å; F64-V81 HydrophobicContact CD1-CG1 4.19Å; F64-V81 HydrophobicContact CE1-CG1 4.22Å; F64-T85 HydrophobicContact CB-CG2 3.85Å
65R78.6Confident79.1Confident18 Ų1846.3 Ų46.37%0.06825%0.246CC..Hα-helixtrans-68.4-35172.4-68.4-62.8-166.3173.84.3112.9Y14 L61 L62 P63 E68 A69 T85 F89Y14-R65 HydrophobicContact CD2-CB 4.2Å; Y14-R65 HydrophobicContact CE2-CB 3.96Å; L61-R65 PolarHBondContact O-N 3.38Å; L62-R65 WeakPolarHBondContact O-CB 3.14Å; L62-R65 PolarHBondContact O-N 2.97Å; L62-R65 VanDerWaalsContact O-N 3.09Å; P63-R65 VanDerWaalsContact C-N 3.32Å; P63-R65 PolarHBondContact O-N 2.9Å; R65-E68 VanDerWaalsContact CD-OE2 3.25Å; R65-E68 WeakPolarHBondContact CD-OE2 3.21Å; R65-E68 IonicContact CZ-OE2 3.73Å; R65-E68 IonicContact NE-OE2 3.92Å; R65-E68 IonicContact NH1-OE1 3.23Å; R65-E68 IonicContact NH1-OE2 2.9Å; R65-E68 PolarHBondContact NH1-OE2 3.45Å; R65-E68 PolarHBondContact O-N 3.36Å; R65-A69 WeakPolarHBondContact O-CB 3.48Å; R65-A69 PolarHBondContact O-N 3.31Å; R65-T85 HydrophobicContact CG-CG2 4.22Å; R65-F89 HydrophobicContact CG-CD2 4.41Å
66I80.3Confident78Confident31 Ų3152.3 Ų52.316%0.15927%0.267CS..Hα-helixtrans-64.7-43174.4-67.6160.2000110.6L11 Y14 I15 F18 L62 P63 E68 A69 A70L11-I66 HydrophobicContact CD1-CG2 4.41Å; Y14-I66 HydrophobicContact CD2-CG1 4.41Å; Y14-I66 HydrophobicContact CG-CG1 4.5Å; I15-I66 HydrophobicContact CD1-CG2 4.49Å; I15-I66 HydrophobicContact CG1-CD1 4.07Å; I15-I66 HydrophobicContact CG1-CG1 4.35Å; I15-I66 HydrophobicContact CG1-CG2 4.16Å; F18-I66 HydrophobicContact CB-CD1 4.5Å; L62-I66 HydrophobicContact CD2-CD1 4.04Å; L62-I66 HydrophobicContact CD2-CG1 4.27Å; L62-I66 WeakPolarHBondContact O-CG1 3.38Å; L62-I66 PolarHBondContact O-N 3.22Å; P63-I66 PolarHBondContact O-N 3.32Å; I66-E68 VanDerWaalsContact C-N 3.35Å; I66-A69 PolarHBondContact O-N 2.91Å; I66-A70 VanDerWaalsContact O-CB 3.24Å; I66-A70 WeakPolarHBondContact O-CB 3.33Å; I66-A70 PolarHBondContact O-N 2.86Å
67V79.2Confident76.9Confident81 Ų8154.3 Ų54.349%0.49128%0.277SS..Hα-helixtrans-63.7-40.9176.9172.50000111.3P63 F64 S71P63-V67 WeakPolarHBondContact O-CG2 3.5Å; P63-V67 PolarHBondContact O-N 3.35Å; F64-V67 PolarHBondContact O-N 3.42Å; V67-S71 WeakPolarHBondContact O-CB 3.22Å; V67-S71 PolarHBondContact O-N 2.97Å; V67-S71 VanDerWaalsContact O-N 3.13Å; V67-S71 PolarHBondContact O-OG 3.42Å
68E72.8Confident76.1Confident12 Ų1255.1 Ų55.16%0.05629%0.286CS..Hα-helixtrans-60.6-51.2173.6177.6179.1-118.800111.6F64 R65 I66 A70 S71 F73 W75F64-E68 PolarHBondContact O-N 3.37Å; F64-E68 VanDerWaalsContact O-N 3.08Å; R65-E68 VanDerWaalsContact CD-OE2 3.25Å; R65-E68 WeakPolarHBondContact CD-OE2 3.21Å; R65-E68 IonicContact CZ-OE2 3.73Å; R65-E68 IonicContact NE-OE2 3.92Å; R65-E68 IonicContact NH1-OE1 3.23Å; R65-E68 IonicContact NH1-OE2 2.9Å; R65-E68 PolarHBondContact NH1-OE2 3.45Å; R65-E68 PolarHBondContact O-N 3.36Å; I66-E68 VanDerWaalsContact C-N 3.35Å; E68-A70 VanDerWaalsContact C-N 3.35Å; E68-A70 PolarHBondContact O-N 3.47Å; E68-S71 PolarHBondContact O-N 3.41Å; E68-S71 VanDerWaalsContact O-N 3.08Å; E68-F73 WeakPolarHBondContact O-CA 3.38Å; E68-F73 PolarHBondContact O-N 2.93Å; E68-W75 HydrophobicContact CB-CE3 3.96Å; E68-W75 HydrophobicContact CB-CZ3 4.1Å; E68-W75 HydrophobicContact CG-CE3 4.04Å; E68-W75 VanDerWaalsContact OE1-CE3 3.26Å
69A69.7Low75.1Confident8 Ų860.5 Ų60.57%0.06631%0.309CS..Hα-helixtrans-62.7-39.517900000112.4L11 R65 I66 S71 N72 F73L11-A69 HydrophobicContact CB-CB 4.46Å; L11-A69 HydrophobicContact CD1-CB 4.12Å; R65-A69 WeakPolarHBondContact O-CB 3.48Å; R65-A69 PolarHBondContact O-N 3.31Å; I66-A69 PolarHBondContact O-N 2.91Å; A69-S71 PolarHBondContact O-N 2.98Å; A69-N72 PolarHBondContact O-N 3.34Å; A69-F73 HydrophobicContact CB-CE1 4.42Å
70A71.3Confident74Confident65 Ų6566.5 Ų66.554%0.53734%0.339SS..Hα-helixtrans-64.4-26.2175.800000112.5L11 I66 E68 N72L11-A70 HydrophobicContact CD1-CB 3.75Å; I66-A70 VanDerWaalsContact O-CB 3.24Å; I66-A70 WeakPolarHBondContact O-CB 3.33Å; I66-A70 PolarHBondContact O-N 2.86Å; E68-A70 VanDerWaalsContact C-N 3.35Å; E68-A70 PolarHBondContact O-N 3.47Å; A70-N72 VanDerWaalsContact C-N 3.33Å; A70-N72 PolarHBondContact O-N 3.23Å
71S71.7Confident73.2Confident32 Ų3263.3 Ų63.322%0.22432%0.324CS..THydrogen-bonded Turntrans-96.925.6-177.5-45.10000113.3V67 E68 A69 R74V67-S71 WeakPolarHBondContact O-CB 3.22Å; V67-S71 PolarHBondContact O-N 2.97Å; V67-S71 VanDerWaalsContact O-N 3.13Å; V67-S71 PolarHBondContact O-OG 3.42Å; E68-S71 PolarHBondContact O-N 3.41Å; E68-S71 VanDerWaalsContact O-N 3.08Å; A69-S71 PolarHBondContact O-N 2.98Å; S71-R74 WeakPolarHBondContact O-CB 3.27Å; S71-R74 PolarHBondContact O-N 2.93Å
72N68Low72.6Confident121 Ų12162.4 Ų62.465%0.64732%0.32SS*.THydrogen-bonded Turntrans57.444.1-174.7-59.6-76000112.9A69 A70 R74A69-N72 PolarHBondContact O-N 3.34Å; A70-N72 VanDerWaalsContact C-N 3.33Å; A70-N72 PolarHBondContact O-N 3.23Å; N72-R74 PolarHBondContact O-N 2.91Å; N72-R74 VanDerWaalsContact O-N 3.09Å
73F64.3Low72Confident55 Ų5564.1 Ų64.124%0.24133%0.334CS..THydrogen-bonded Turntrans58.321.8-177.9-59.2-82.8000114.2S7 I10 E68 A69S7-F73 WeakPolarHBondContact OG-CE2 3.38Å; I10-F73 HydrophobicContact CD1-CZ 4.28Å; E68-F73 WeakPolarHBondContact O-CA 3.38Å; E68-F73 PolarHBondContact O-N 2.93Å; A69-F73 HydrophobicContact CB-CE1 4.42Å
74R64Low71.6Confident118 Ų11867.2 Ų67.245%0.44535%0.347SS..  trans-92.1126.6172.7-62.7-177.4178.2-149.2-1.2109.4S71 N72 Y76S71-R74 WeakPolarHBondContact O-CB 3.27Å; S71-R74 PolarHBondContact O-N 2.93Å; N72-R74 PolarHBondContact O-N 2.91Å; N72-R74 VanDerWaalsContact O-N 3.09Å; R74-Y76 HydrophobicContact CB-CD2 4.42Å; R74-Y76 HydrophobicContact CB-CE2 3.5Å; R74-Y76 VanDerWaalsContact CD-OH 3.32Å; R74-Y76 WeakPolarHBondContact CD-OH 3.49Å; R74-Y76 VanDerWaalsContact O-CD2 3.25Å; R74-Y76 WeakPolarHBondContact O-CD2 3.39Å; R74-Y76 VanDerWaalsContact O-CE2 3.27Å; R74-Y76 WeakPolarHBondContact O-CE2 3.27Å
75W65.8Low71.4Confident15 Ų1563.6 Ų63.66%0.05733%0.332CS..  trans-94.6116.3-179.7-170.6-90.1000111.2F64 E68 L77 P78 V81 C82 T85 I162 C164F64-W75 HydrophobicContact CB-CH2 4.23Å; E68-W75 HydrophobicContact CB-CE3 3.96Å; E68-W75 HydrophobicContact CB-CZ3 4.1Å; E68-W75 HydrophobicContact CG-CE3 4.04Å; E68-W75 VanDerWaalsContact OE1-CE3 3.26Å; W75-L77 HydrophobicContact CD2-CB 4.43Å; W75-L77 HydrophobicContact CH2-CD1 4.07Å; W75-L77 HydrophobicContact CZ2-CB 3.64Å; W75-L77 HydrophobicContact CZ2-CD1 3.83Å; W75-L77 HydrophobicContact CZ2-CG 4.4Å; W75-L77 VanDerWaalsContact NE1-CB 3.34Å; W75-L77 PolarHBondContact NE1-O 2.9Å; W75-P78 PolarHBondContact NE1-O 2.85Å; W75-V81 HydrophobicContact CH2-CG1 4.49Å; W75-V81 HydrophobicContact CZ2-CB 4.15Å; W75-V81 HydrophobicContact CZ2-CG1 3.92Å; W75-C82 HydrophobicContact CD2-CB 3.92Å; W75-C82 HydrophobicContact CG-CB 4.28Å; W75-C82 HydrophobicContact CH2-CB 4.36Å; W75-C82 HydrophobicContact CZ2-CB 3.65Å; W75-T85 HydrophobicContact CH2-CG2 4.28Å; W75-I162 WeakPolarHBondContact CB-O 3.43Å; W75-C164 HydrophobicContact CB-CB 4.15Å; W75-C164 HydrophobicContact CD2-CB 4.45Å; W75-C164 HydrophobicContact CG-CB 4.23Å
76Y67.7Low71.2Confident166 Ų16662.8 Ų62.865%0.65133%0.33SS*.  trans-104.7-7.3-179.3-59.8-88.9000113.6R74R74-Y76 HydrophobicContact CB-CD2 4.42Å; R74-Y76 HydrophobicContact CB-CE2 3.5Å; R74-Y76 VanDerWaalsContact CD-OH 3.32Å; R74-Y76 WeakPolarHBondContact CD-OH 3.49Å; R74-Y76 VanDerWaalsContact O-CD2 3.25Å; R74-Y76 WeakPolarHBondContact O-CD2 3.39Å; R74-Y76 VanDerWaalsContact O-CE2 3.27Å; R74-Y76 WeakPolarHBondContact O-CE2 3.27Å
77L69.5Low71.1Confident65 Ų6563.2 Ų63.234%0.3433%0.33SS..SBendtrans-82.2166.2179.4-80.1151.9000110.9F64 W75 V81F64-L77 HydrophobicContact CD1-CD1 3.93Å; W75-L77 HydrophobicContact CD2-CB 4.43Å; W75-L77 HydrophobicContact CH2-CD1 4.07Å; W75-L77 HydrophobicContact CZ2-CB 3.64Å; W75-L77 HydrophobicContact CZ2-CD1 3.83Å; W75-L77 HydrophobicContact CZ2-CG 4.4Å; W75-L77 VanDerWaalsContact NE1-CB 3.34Å; W75-L77 PolarHBondContact NE1-O 2.9Å; L77-V81 HydrophobicContact CB-CB 4.37Å; L77-V81 HydrophobicContact CB-CG1 4.45Å; L77-V81 HydrophobicContact CD1-CG1 4.49Å
78P72.3Confident71.1Confident81 Ų8159.7 Ų59.753%0.52631%0.31SS..  trans-56.8148.3177-21.330.4000112.4W75 I80 V81 C82W75-P78 PolarHBondContact NE1-O 2.85Å; P78-I80 PolarHBondContact O-N 3.31Å; P78-V81 HydrophobicContact CB-CG2 4.11Å; P78-V81 HydrophobicContact CG-CG2 4.03Å; P78-V81 WeakPolarHBondContact O-CB 3.44Å; P78-V81 PolarHBondContact O-N 3.05Å; P78-C82 PolarHBondContact O-N 3.4Å
79K68.1Low71.5Confident144 Ų14460.4 Ų60.463%0.62631%0.313SS*.Hα-helixtrans-53.8-38.4178.4-67.4-174.8178.8-1730112.9V81 C82 A83 I162K79-V81 VanDerWaalsContact C-N 3.34Å; K79-V81 PolarHBondContact O-N 2.9Å; K79-C82 PolarHBondContact O-N 2.96Å; K79-A83 PolarHBondContact O-N 3.3Å; K79-I162 HydrophobicContact CD-CD1 4.44Å; K79-I162 HydrophobicContact CG-CD1 4.03Å
80I68.1Low72Confident131 Ų13163.5 Ų63.567%0.67232%0.324SS*.Hα-helixtrans-61.1-41.4176.5-77.4154.7000111.9P78 C82 A83 L84P78-I80 PolarHBondContact O-N 3.31Å; I80-C82 VanDerWaalsContact C-N 3.26Å; I80-C82 PolarHBondContact O-N 3.42Å; I80-A83 PolarHBondContact O-N 3.42Å; I80-L84 WeakPolarHBondContact O-CB 3.33Å; I80-L84 PolarHBondContact O-N 2.65Å
81V71.6Confident72.6Confident38 Ų3860.5 Ų60.523%0.2330%0.299CS..Hα-helixtrans-66.9-34.9178.8-176.70000109.9F64 W75 L77 P78 K79 T85F64-V81 HydrophobicContact CD1-CG1 4.19Å; F64-V81 HydrophobicContact CE1-CG1 4.22Å; W75-V81 HydrophobicContact CH2-CG1 4.49Å; W75-V81 HydrophobicContact CZ2-CB 4.15Å; W75-V81 HydrophobicContact CZ2-CG1 3.92Å; L77-V81 HydrophobicContact CB-CB 4.37Å; L77-V81 HydrophobicContact CB-CG1 4.45Å; L77-V81 HydrophobicContact CD1-CG1 4.49Å; P78-V81 HydrophobicContact CB-CG2 4.11Å; P78-V81 HydrophobicContact CG-CG2 4.03Å; P78-V81 WeakPolarHBondContact O-CB 3.44Å; P78-V81 PolarHBondContact O-N 3.05Å; K79-V81 VanDerWaalsContact C-N 3.34Å; K79-V81 PolarHBondContact O-N 2.9Å; V81-T85 VanDerWaalsContact O-CB 3.29Å; V81-T85 WeakPolarHBondContact O-CB 3.3Å; V81-T85 PolarHBondContact O-N 2.84Å; V81-T85 PolarHBondContact O-OG1 3.31Å
82C71.9Confident73.4Confident3 Ų359.1 Ų59.12%0.0229%0.289CS..Hα-helixtrans-68.1-48.3176.7-158.50000112.9W75 P78 K79 I80 L84 T85 G86 C164W75-C82 HydrophobicContact CD2-CB 3.92Å; W75-C82 HydrophobicContact CG-CB 4.28Å; W75-C82 HydrophobicContact CH2-CB 4.36Å; W75-C82 HydrophobicContact CZ2-CB 3.65Å; P78-C82 PolarHBondContact O-N 3.4Å; K79-C82 PolarHBondContact O-N 2.96Å; I80-C82 VanDerWaalsContact C-N 3.26Å; I80-C82 PolarHBondContact O-N 3.42Å; C82-L84 PolarHBondContact O-N 2.68Å; C82-T85 PolarHBondContact O-N 2.91Å; C82-T85 VanDerWaalsContact O-N 3.14Å; C82-G86 PolarHBondContact O-N 3.41Å; C82-C164 HydrophobicContact CB-CB 3.96Å; C82-C164 WeakPolarHBondContact CB-SG 3.2Å; C82-C164 WeakPolarHBondContact SG-CB 3.38Å; C82-C164 CovalentContact SG-SG 1.96Å; C82-C164 PolarHBondContact SG-SG 2.92Å
83A72.3Confident74.3Confident39 Ų3956.4 Ų56.432%0.32227%0.274SS..Hα-helixtrans-56.7-43.3177.100000110.6K79 I80 F87K79-A83 PolarHBondContact O-N 3.3Å; I80-A83 PolarHBondContact O-N 3.42Å; A83-F87 WeakPolarHBondContact O-CB 3.38Å; A83-F87 PolarHBondContact O-N 3.05Å
84L74.9Confident75.4Confident110 Ų11056 Ų5658%0.57627%0.271SS*.Hα-helixtrans-67-39.4177.7-171.465.1000112.8I80 C82 G88I80-L84 WeakPolarHBondContact O-CB 3.33Å; I80-L84 PolarHBondContact O-N 2.65Å; C82-L84 PolarHBondContact O-N 2.68Å; L84-G88 PolarHBondContact O-N 3.01Å
85T76.7Confident76.6Confident2 Ų250.4 Ų50.41%0.01225%0.25CS..Hα-helixtrans-67.1-45.4178.5-58.10000111F64 R65 W75 V81 C82 F89F64-T85 HydrophobicContact CB-CG2 3.85Å; R65-T85 HydrophobicContact CG-CG2 4.22Å; W75-T85 HydrophobicContact CH2-CG2 4.28Å; V81-T85 VanDerWaalsContact O-CB 3.29Å; V81-T85 WeakPolarHBondContact O-CB 3.3Å; V81-T85 PolarHBondContact O-N 2.84Å; V81-T85 PolarHBondContact O-OG1 3.31Å; C82-T85 PolarHBondContact O-N 2.91Å; C82-T85 VanDerWaalsContact O-N 3.14Å; T85-F89 WeakPolarHBondContact O-CB 3.27Å; T85-F89 PolarHBondContact O-N 2.75Å
86G74.6Confident77.7Confident2 Ų250.2 Ų50.22%0.02125%0.251CS..Hα-helixtrans-59.4-56.4172.200000110.8C82 G88 F89 Y90C82-G86 PolarHBondContact O-N 3.41Å; G86-G88 VanDerWaalsContact C-N 3.34Å; G86-G88 PolarHBondContact O-N 3.49Å; G86-F89 PolarHBondContact O-N 3.12Å; G86-Y90 WeakPolarHBondContact O-CD2 3.48Å; G86-Y90 PolarHBondContact O-N 3.16Å; G86-Y90 VanDerWaalsContact O-N 3.08Å
87F78.5Confident78.8Confident40 Ų4046.2 Ų46.218%0.17524%0.244CC..Hα-helixtrans-48-56.1178.6-174.9-111.2000112.3A83 F89 S91 F138 C141 I145A83-F87 WeakPolarHBondContact O-CB 3.38Å; A83-F87 PolarHBondContact O-N 3.05Å; F87-F89 VanDerWaalsContact C-N 3.35Å; F87-F89 PolarHBondContact O-N 3.48Å; F87-S91 WeakPolarHBondContact O-CB 3.44Å; F87-S91 PolarHBondContact O-N 3.02Å; F87-F138 AromaticContact CE1-CD1 3.8Å; F87-F138 HydrophobicContact CE1-CD1 3.8Å; F87-F138 AromaticContact CE1-CE1 3.57Å; F87-F138 HydrophobicContact CE1-CE1 3.57Å; F87-F138 HydrophobicContact CE1-CZ 4.34Å; F87-F138 AromaticContact CZ-CD1 3.53Å; F87-F138 HydrophobicContact CZ-CD1 3.53Å; F87-F138 AromaticContact CZ-CE1 3.83Å; F87-F138 HydrophobicContact CZ-CE1 3.83Å; F87-F138 HydrophobicContact CZ-CG 4.26Å; F87-C141 HydrophobicContact CD2-CB 3.57Å; F87-C141 HydrophobicContact CE2-CB 3.41Å; F87-C141 VanDerWaalsContact CE2-CB 3.41Å; F87-C141 HydrophobicContact CZ-CB 4.35Å; F87-I145 HydrophobicContact CB-CD1 3.32Å; F87-I145 HydrophobicContact CD2-CD1 3.42Å; F87-I145 VanDerWaalsContact CD2-CD1 3.42Å; F87-I145 HydrophobicContact CD2-CG1 4.32Å; F87-I145 HydrophobicContact CG-CD1 3.74Å
88G79.6Confident79.7Confident7 Ų748.5 Ų48.57%0.07225%0.248CC..Hα-helixtrans-69.1-34.6-174.100000112.1L61 L84 G86 S92L61-G88 VanDerWaalsContact CD1-CA 3.42Å; L84-G88 PolarHBondContact O-N 3.01Å; G86-G88 VanDerWaalsContact C-N 3.34Å; G86-G88 PolarHBondContact O-N 3.49Å; G88-S92 WeakPolarHBondContact O-CB 3.44Å; G88-S92 PolarHBondContact O-N 3.18Å; G88-S92 PolarHBondContact O-OG 2.94Å
89F81.6Confident80.5Confident26 Ų2644.7 Ų44.711%0.11422%0.224CC..Hα-helixtrans-63.9-53.1177.4-170.3-91000111.3L58 R65 T85 G86 F87 S92 I93L58-F89 HydrophobicContact CD1-CB 4.31Å; L58-F89 HydrophobicContact CD1-CD1 4.43Å; L58-F89 HydrophobicContact CD1-CD2 3.23Å; L58-F89 HydrophobicContact CD1-CE2 3.49Å; L58-F89 VanDerWaalsContact CD1-CE2 3.49Å; L58-F89 HydrophobicContact CD1-CG 3.75Å; L58-F89 HydrophobicContact CD1-CZ 4.19Å; L58-F89 HydrophobicContact CG-CD2 4.44Å; L58-F89 HydrophobicContact CG-CE2 4.42Å; R65-F89 HydrophobicContact CG-CD2 4.41Å; T85-F89 WeakPolarHBondContact O-CB 3.27Å; T85-F89 PolarHBondContact O-N 2.75Å; G86-F89 PolarHBondContact O-N 3.12Å; F87-F89 VanDerWaalsContact C-N 3.35Å; F87-F89 PolarHBondContact O-N 3.48Å; F89-S92 PolarHBondContact O-N 2.79Å; F89-I93 HydrophobicContact CD1-CD1 3.67Å; F89-I93 HydrophobicContact CE1-CD1 3.35Å; F89-I93 HydrophobicContact CZ-CD1 4Å; F89-I93 WeakPolarHBondContact O-CG1 3.39Å; F89-I93 PolarHBondContact O-N 2.69Å; F89-I93 VanDerWaalsContact O-N 3.16Å
90Y80.5Confident81.6Confident74 Ų7442.1 Ų42.129%0.2922%0.216SC..Hα-helixtrans-68.7-42.7179.5-70.6-78.5000112.1G86 S92 I93 Y94 Y165G86-Y90 WeakPolarHBondContact O-CD2 3.48Å; G86-Y90 PolarHBondContact O-N 3.16Å; G86-Y90 VanDerWaalsContact O-N 3.08Å; Y90-S92 VanDerWaalsContact C-N 3.28Å; Y90-S92 PolarHBondContact O-N 3.16Å; Y90-I93 PolarHBondContact O-N 3.15Å; Y90-I93 VanDerWaalsContact O-N 3.16Å; Y90-Y94 WeakPolarHBondContact O-CD2 3.18Å; Y90-Y94 PolarHBondContact O-N 2.88Å; Y90-Y165 AromaticContact CD2-CE1 3.91Å; Y90-Y165 HydrophobicContact CD2-CE1 3.91Å; Y90-Y165 AromaticContact CD2-CE2 3.89Å; Y90-Y165 HydrophobicContact CD2-CE2 3.89Å; Y90-Y165 AromaticContact CD2-CZ 3.37Å; Y90-Y165 WeakPolarHBondContact CD2-OH 3.35Å; Y90-Y165 HydrophobicContact CE1-CE1 4.19Å; Y90-Y165 AromaticContact CE2-CD1 3.71Å; Y90-Y165 HydrophobicContact CE2-CD1 3.71Å; Y90-Y165 HydrophobicContact CE2-CD2 4.25Å; Y90-Y165 AromaticContact CE2-CE1 3.03Å; Y90-Y165 HydrophobicContact CE2-CE1 3.03Å; Y90-Y165 AromaticContact CE2-CE2 3.63Å; Y90-Y165 HydrophobicContact CE2-CE2 3.63Å; Y90-Y165 HydrophobicContact CE2-CG 4.28Å; Y90-Y165 AromaticContact CE2-CZ 2.97Å; Y90-Y165 WeakPolarHBondContact CE2-OH 3.5Å; Y90-Y165 AromaticContact CZ-CD1 3.9Å; Y90-Y165 AromaticContact CZ-CE1 3.18Å; Y90-Y165 AromaticContact CZ-CZ 3.58Å; Y90-Y165 WeakPolarHBondContact OH-CD1 3.42Å; Y90-Y165 WeakPolarHBondContact OH-CE1 3.21Å
91S83.9Confident82.6Confident2 Ų238.3 Ų38.31%0.01420%0.204CC..Hα-helixtrans-61.5-38.9178.9-166.20000111.4F87 C95 S137 F138 C141F87-S91 WeakPolarHBondContact O-CB 3.44Å; F87-S91 PolarHBondContact O-N 3.02Å; S91-C95 WeakPolarHBondContact O-CB 3.19Å; S91-C95 PolarHBondContact O-N 3.33Å; S91-S137 PolarHBondContact OG-O 3.47Å; S91-F138 WeakPolarHBondContact OG-CD2 3.14Å; S91-F138 WeakPolarHBondContact OG-CE2 3.38Å; S91-C141 WeakPolarHBondContact CA-SG 3.43Å; S91-C141 PolarHBondContact N-SG 2.63Å
92S88Confident83.4Confident2 Ų237.3 Ų37.31%0.01420%0.201CC..Hα-helixtrans-65.7-42175.5-57.40000112G88 F89 Y90 C95 S96G88-S92 WeakPolarHBondContact O-CB 3.44Å; G88-S92 PolarHBondContact O-N 3.18Å; G88-S92 PolarHBondContact O-OG 2.94Å; F89-S92 PolarHBondContact O-N 2.79Å; Y90-S92 VanDerWaalsContact C-N 3.28Å; Y90-S92 PolarHBondContact O-N 3.16Å; S92-C95 PolarHBondContact O-N 3.47Å; S92-S96 WeakPolarHBondContact O-CB 3.47Å; S92-S96 PolarHBondContact O-N 3.18Å; S92-S96 PolarHBondContact O-OG 2.98Å
93I86.4Confident84.2Confident65 Ų6538 Ų3833%0.33321%0.205SC..Hα-helixtrans-62-47.8177.3-69.9168.1000111.4L58 F89 Y90 C95 S96 T97L58-I93 HydrophobicContact CD1-CG1 4.3Å; L58-I93 HydrophobicContact CD2-CG1 4.42Å; F89-I93 HydrophobicContact CD1-CD1 3.67Å; F89-I93 HydrophobicContact CE1-CD1 3.35Å; F89-I93 HydrophobicContact CZ-CD1 4Å; F89-I93 WeakPolarHBondContact O-CG1 3.39Å; F89-I93 PolarHBondContact O-N 2.69Å; F89-I93 VanDerWaalsContact O-N 3.16Å; Y90-I93 PolarHBondContact O-N 3.15Å; Y90-I93 VanDerWaalsContact O-N 3.16Å; I93-C95 VanDerWaalsContact C-N 3.34Å; I93-S96 PolarHBondContact O-N 3.43Å; I93-T97 PolarHBondContact O-N 3.16Å; I93-T97 PolarHBondContact O-OG1 2.86Å
94Y86.9Confident85Confident45 Ų4539.8 Ų39.818%0.17622%0.215CC..Hα-helixtrans-63.7-41.8177.3-75.4-63.5000111.3Y90 T97 W98 S137 H140 L181Y90-Y94 WeakPolarHBondContact O-CD2 3.18Å; Y90-Y94 PolarHBondContact O-N 2.88Å; Y94-T97 WeakPolarHBondContact O-CB 3.41Å; Y94-T97 PolarHBondContact O-N 3.19Å; Y94-W98 PolarHBondContact O-N 3.14Å; Y94-S137 VanDerWaalsContact C-OG 3.31Å; Y94-H140 AromaticContact CE2-CE1 3.9Å; Y94-H140 AromaticContact CE2-ND1 3.71Å; Y94-H140 AromaticContact CZ-CE1 3.87Å; Y94-L181 HydrophobicContact CE1-CB 4.29Å
95C88.9Confident85.6Confident1 Ų140 Ų401%0.00721%0.214CC..Hα-helixtrans-62.1-48.1178.3-169.10000111A54 S91 S92 I93 T97 W98 L99 S137A54-C95 HydrophobicContact CB-CB 4.43Å; S91-C95 WeakPolarHBondContact O-CB 3.19Å; S91-C95 PolarHBondContact O-N 3.33Å; S92-C95 PolarHBondContact O-N 3.47Å; I93-C95 VanDerWaalsContact C-N 3.34Å; C95-T97 VanDerWaalsContact C-N 3.28Å; C95-T97 PolarHBondContact O-N 3.46Å; C95-W98 PolarHBondContact O-N 2.97Å; C95-L99 WeakPolarHBondContact O-CB 3.22Å; C95-L99 WeakPolarHBondContact O-CG 3.35Å; C95-L99 PolarHBondContact O-N 2.83Å; C95-S137 WeakPolarHBondContact CA-OG 3.29Å; C95-S137 PolarHBondContact N-OG 3.43Å
96S90.6Very high86Confident11 Ų1141.1 Ų41.18%0.07722%0.219CC..Hα-helixtrans-59.8-38.6176.7-66.50000111.9D55 S92 I93 L99 L100D55-S96 PolarHBondContact OD1-OG 3.4Å; S92-S96 WeakPolarHBondContact O-CB 3.47Å; S92-S96 PolarHBondContact O-N 3.18Å; S92-S96 PolarHBondContact O-OG 2.98Å; I93-S96 PolarHBondContact O-N 3.43Å; S96-L99 PolarHBondContact O-N 3.43Å; S96-L100 WeakPolarHBondContact O-CB 3.18Å; S96-L100 VanDerWaalsContact O-CG 3.22Å; S96-L100 WeakPolarHBondContact O-CG 3.38Å; S96-L100 PolarHBondContact O-N 3.3Å
97T89.9Confident86.5Confident83 Ų8347.8 Ų47.851%0.50924%0.244SC..Hα-helixtrans-63.2-49.8176.8-57.10000112.1I93 Y94 C95 L99 L100 A101I93-T97 PolarHBondContact O-N 3.16Å; I93-T97 PolarHBondContact O-OG1 2.86Å; Y94-T97 WeakPolarHBondContact O-CB 3.41Å; Y94-T97 PolarHBondContact O-N 3.19Å; C95-T97 VanDerWaalsContact C-N 3.28Å; C95-T97 PolarHBondContact O-N 3.46Å; T97-L99 VanDerWaalsContact C-N 3.33Å; T97-L99 PolarHBondContact O-N 2.89Å; T97-L100 PolarHBondContact O-N 3.34Å; T97-A101 PolarHBondContact O-N 2.97Å
98W89.3Confident86.9Confident113 Ų11353 Ų5343%0.42826%0.263SS..Hα-helixtrans-63.9-38.1177.6-78.2112.6000112.5Y94 C95 A101 G102 A133 M136Y94-W98 PolarHBondContact O-N 3.14Å; C95-W98 PolarHBondContact O-N 2.97Å; W98-A101 PolarHBondContact O-N 3.32Å; W98-G102 PolarHBondContact O-N 3.45Å; W98-A133 HydrophobicContact CB-CB 3.55Å; W98-M136 HydrophobicContact CZ2-CE 4.47Å
99L89.1Confident87.1Confident1 Ų155.4 Ų55.41%0.00527%0.274CS..Hα-helixtrans-66.4-42.3176-71.5169000111.8L47 N50 L51 C95 S96 T97 A101 G102 I103 A130 A133L47-L99 HydrophobicContact CD2-CD2 3.73Å; N50-L99 HydrophobicContact CB-CD1 3.96Å; N50-L99 HydrophobicContact CB-CD2 3.98Å; L51-L99 HydrophobicContact CB-CB 4.38Å; L51-L99 HydrophobicContact CB-CD1 4.24Å; L51-L99 HydrophobicContact CD1-CB 4.12Å; L51-L99 HydrophobicContact CD1-CD1 4.45Å; C95-L99 WeakPolarHBondContact O-CB 3.22Å; C95-L99 WeakPolarHBondContact O-CG 3.35Å; C95-L99 PolarHBondContact O-N 2.83Å; S96-L99 PolarHBondContact O-N 3.43Å; T97-L99 VanDerWaalsContact C-N 3.33Å; T97-L99 PolarHBondContact O-N 2.89Å; L99-A101 VanDerWaalsContact C-N 3.34Å; L99-G102 PolarHBondContact O-N 2.87Å; L99-I103 VanDerWaalsContact O-CG1 3.27Å; L99-I103 WeakPolarHBondContact O-CG1 3.17Å; L99-I103 PolarHBondContact O-N 3.03Å; L99-A130 HydrophobicContact CD2-CB 4.11Å; L99-A133 HydrophobicContact CD2-CB 4.04Å; L99-A133 HydrophobicContact CG-CB 4Å
100L90Very high87.1Confident89 Ų8955.3 Ų55.347%0.46628%0.281SS..Hα-helixtrans-62.5-39.9174.4-76.4169.2000112L51 S96 T97 I103 S104L51-L100 HydrophobicContact CD1-CG 4.19Å; L51-L100 HydrophobicContact CD2-CD2 3.75Å; L51-L100 HydrophobicContact CD2-CG 4.17Å; S96-L100 WeakPolarHBondContact O-CB 3.18Å; S96-L100 VanDerWaalsContact O-CG 3.22Å; S96-L100 WeakPolarHBondContact O-CG 3.38Å; S96-L100 PolarHBondContact O-N 3.3Å; T97-L100 PolarHBondContact O-N 3.34Å; L100-I103 PolarHBondContact O-N 3.47Å; L100-S104 WeakPolarHBondContact O-CB 3.35Å; L100-S104 PolarHBondContact O-N 2.86Å; L100-S104 PolarHBondContact O-OG 3.34Å
101A90.4Very high87.4Confident51 Ų5157.8 Ų57.842%0.42130%0.303SS..Hα-helixtrans-61-46172.800000111.2T97 W98 L99 I103 S104 M105T97-A101 PolarHBondContact O-N 2.97Å; W98-A101 PolarHBondContact O-N 3.32Å; L99-A101 VanDerWaalsContact C-N 3.34Å; A101-I103 PolarHBondContact O-N 2.84Å; A101-S104 PolarHBondContact O-N 3.24Å; A101-M105 WeakPolarHBondContact O-CB 3.05Å; A101-M105 PolarHBondContact O-N 2.98Å
102G87Confident87.6Confident17 Ų1759.8 Ų59.818%0.17532%0.32CS..Hα-helixtrans-60.6-42.6175.300000113.3W98 L99 S104 M105 E106W98-G102 PolarHBondContact O-N 3.45Å; L99-G102 PolarHBondContact O-N 2.87Å; G102-S104 VanDerWaalsContact C-N 3.35Å; G102-M105 PolarHBondContact O-N 3.09Å; G102-E106 PolarHBondContact O-N 3.46Å
103I89.3Confident87.4Confident19 Ų1964.4 Ų64.410%0.09734%0.34CS..Hα-helixtrans-62.1-43.9175-69.1164.1000110.7V44 L47 L48 L51 L99 L100 A101 E106 R107V44-I103 HydrophobicContact CG2-CG2 4.07Å; L47-I103 HydrophobicContact CB-CD1 4.26Å; L47-I103 HydrophobicContact CB-CG1 3.68Å; L47-I103 HydrophobicContact CD1-CG1 4.35Å; L48-I103 HydrophobicContact CD2-CD1 4.17Å; L48-I103 HydrophobicContact CG-CD1 4.15Å; L51-I103 HydrophobicContact CD2-CD1 3.89Å; L99-I103 VanDerWaalsContact O-CG1 3.27Å; L99-I103 WeakPolarHBondContact O-CG1 3.17Å; L99-I103 PolarHBondContact O-N 3.03Å; L100-I103 PolarHBondContact O-N 3.47Å; A101-I103 PolarHBondContact O-N 2.84Å; I103-E106 PolarHBondContact O-N 3Å; I103-R107 HydrophobicContact CG2-CG 4.44Å; I103-R107 VanDerWaalsContact O-CG 3.26Å; I103-R107 WeakPolarHBondContact O-CG 3.15Å; I103-R107 PolarHBondContact O-N 3.03Å
104S89.1Confident87Confident75 Ų7565.1 Ų65.152%0.52435%0.349SS..Hα-helixtrans-64.1-42.1-179.7-58.70000111.3L100 A101 G102 R107 Y108L100-S104 WeakPolarHBondContact O-CB 3.35Å; L100-S104 PolarHBondContact O-N 2.86Å; L100-S104 PolarHBondContact O-OG 3.34Å; A101-S104 PolarHBondContact O-N 3.24Å; G102-S104 VanDerWaalsContact C-N 3.35Å; S104-R107 PolarHBondContact O-N 3.34Å; S104-Y108 WeakPolarHBondContact O-CB 3.46Å; S104-Y108 PolarHBondContact O-N 2.63Å
105M87.2Confident86.5Confident114 Ų11468 Ų6856%0.56237%0.371SS*.Hα-helixtrans-63.3-45.4175.2-171.262.9153.800112A101 G102 R107 Y108 L109A101-M105 WeakPolarHBondContact O-CB 3.05Å; A101-M105 PolarHBondContact O-N 2.98Å; G102-M105 PolarHBondContact O-N 3.09Å; M105-R107 VanDerWaalsContact C-N 3.33Å; M105-R107 PolarHBondContact O-N 3.18Å; M105-Y108 WeakPolarHBondContact O-CB 3.49Å; M105-Y108 PolarHBondContact O-N 3.49Å; M105-L109 HydrophobicContact CG-CD1 4.34Å; M105-L109 WeakPolarHBondContact O-CG 3.46Å; M105-L109 PolarHBondContact O-N 3.02Å
106E84.3Confident85.7Confident26 Ų2674.3 Ų74.312%0.12140%0.4CS..Hα-helixtrans-59.1-43.2175.4-88.5-71.9119.400112.2L47 G102 I103 G110 Y117L47-E106 HydrophobicContact CD1-CG 4.05Å; G102-E106 PolarHBondContact O-N 3.46Å; I103-E106 PolarHBondContact O-N 3Å; E106-G110 PolarHBondContact O-N 2.93Å; E106-Y117 WeakPolarHBondContact OE2-CE2 3.44Å; E106-Y117 PolarHBondContact OE2-OH 3.31Å
107R86.3Confident84.8Confident143 Ų14376.1 Ų76.154%0.5441%0.406SS..Hα-helixtrans-63.9-43.2176.2-70.6-72.1-176.3-140.7-0.2111.4I103 S104 M105 G110 V111I103-R107 HydrophobicContact CG2-CG 4.44Å; I103-R107 VanDerWaalsContact O-CG 3.26Å; I103-R107 WeakPolarHBondContact O-CG 3.15Å; I103-R107 PolarHBondContact O-N 3.03Å; S104-R107 PolarHBondContact O-N 3.34Å; M105-R107 VanDerWaalsContact C-N 3.33Å; M105-R107 PolarHBondContact O-N 3.18Å; R107-G110 PolarHBondContact O-N 2.85Å; R107-V111 WeakPolarHBondContact O-CG2 3.45Å; R107-V111 PolarHBondContact O-N 3.5Å; R107-V111 VanDerWaalsContact O-N 3.16Å
108Y86.5Confident83.8Confident149 Ų14980.7 Ų80.758%0.58442%0.419SS*.Hα-helixtrans-60.8-48.6177.7177.7-101.8000111.6S104 M105 G110 V111 A112S104-Y108 WeakPolarHBondContact O-CB 3.46Å; S104-Y108 PolarHBondContact O-N 2.63Å; M105-Y108 WeakPolarHBondContact O-CB 3.49Å; M105-Y108 PolarHBondContact O-N 3.49Å; Y108-G110 VanDerWaalsContact C-N 3.32Å; Y108-G110 PolarHBondContact O-N 3.34Å; Y108-V111 PolarHBondContact O-N 3.09Å; Y108-A112 HydrophobicContact CE1-CB 4.34Å; Y108-A112 HydrophobicContact CE2-CB 4.48Å; Y108-A112 WeakPolarHBondContact O-CB 3.38Å; Y108-A112 PolarHBondContact O-N 3.34Å
109L83.4Confident82.6Confident58 Ų5882.2 Ų82.230%0.30443%0.434SS..Hα-helixtrans-61.9-38.3177.8-70.2172.9000112.4M105 V111 F113 Y117M105-L109 HydrophobicContact CG-CD1 4.34Å; M105-L109 WeakPolarHBondContact O-CG 3.46Å; M105-L109 PolarHBondContact O-N 3.02Å; L109-V111 VanDerWaalsContact C-N 3.32Å; L109-V111 PolarHBondContact O-N 3.3Å; L109-F113 HydrophobicContact CD2-CD2 4.08Å; L109-F113 CarbonylContact O-C 3.5Å; L109-F113 WeakPolarHBondContact O-CA 3.17Å; L109-F113 PolarHBondContact O-N 3.37Å; L109-Y117 HydrophobicContact CB-CD2 4.14Å
110G82.8Confident81.4Confident24 Ų2484.8 Ų84.825%0.24745%0.452CS..Hα-helixtrans-65.3-31.6176.600000114.1E106 R107 Y108E106-G110 PolarHBondContact O-N 2.93Å; R107-G110 PolarHBondContact O-N 2.85Å; Y108-G110 VanDerWaalsContact C-N 3.32Å; Y108-G110 PolarHBondContact O-N 3.34Å
111V86.3Confident80.3Confident126 Ų12686.1 Ų86.176%0.76445%0.451SS*.Hα-helixtrans-86.3-44.3178.8175.10000111.6R107 Y108 L109R107-V111 WeakPolarHBondContact O-CG2 3.45Å; R107-V111 PolarHBondContact O-N 3.5Å; R107-V111 VanDerWaalsContact O-N 3.16Å; Y108-V111 PolarHBondContact O-N 3.09Å; L109-V111 VanDerWaalsContact C-N 3.32Å; L109-V111 PolarHBondContact O-N 3.3Å
112A87.6Confident79.5Confident44 Ų4491.4 Ų91.436%0.36446%0.46SS..Hα-helixtrans-76.2-34.4-176.800000112.9Y108Y108-A112 HydrophobicContact CE1-CB 4.34Å; Y108-A112 HydrophobicContact CE2-CB 4.48Å; Y108-A112 WeakPolarHBondContact O-CB 3.38Å; Y108-A112 PolarHBondContact O-N 3.34Å
113F83.7Confident78.8Confident98 Ų9893.2 Ų93.243%0.4347%0.469SS..  trans-130.961.2-174.3-58.2-77.4000112.6L109 V115 Q116 Y117L109-F113 HydrophobicContact CD2-CD2 4.08Å; L109-F113 CarbonylContact O-C 3.5Å; L109-F113 WeakPolarHBondContact O-CA 3.17Å; L109-F113 PolarHBondContact O-N 3.37Å; F113-V115 VanDerWaalsContact C-N 3.33Å; F113-V115 PolarHBondContact O-N 3.45Å; F113-Q116 HydrophobicContact CB-CB 4.38Å; F113-Q116 PolarHBondContact O-N 2.99Å; F113-Y117 WeakPolarHBondContact O-CB 3.25Å; F113-Y117 PolarHBondContact O-N 3.5Å
114P79.3Confident78.2Confident80 Ų8097.3 Ų97.352%0.51949%0.49SS..Hα-helixtrans-61.3-35.4-170.123.6-34.4000114.1K118P114-K118 WeakPolarHBondContact O-CB 3.33Å; P114-K118 PolarHBondContact O-N 2.99Å; P114-K118 VanDerWaalsContact O-N 3.14Å
115V75.7Confident77.8Confident107 Ų10799.3 Ų99.365%0.64849%0.488SS*.Hα-helixtrans-72.9-49.5-178.9-179.10000111.2F113 Y117 K118 L119F113-V115 VanDerWaalsContact C-N 3.33Å; F113-V115 PolarHBondContact O-N 3.45Å; V115-Y117 VanDerWaalsContact C-N 3.34Å; V115-K118 PolarHBondContact O-N 3.44Å; V115-L119 HydrophobicContact CG1-CD1 4.31Å; V115-L119 WeakPolarHBondContact O-CD1 3.31Å; V115-L119 PolarHBondContact O-N 3.49Å
116Q72.5Confident77.4Confident133 Ų13394 Ų9462%0.62146%0.461SS*.Hα-helixtrans-66.8-37.1178.1-67.7175.1-9.800111.5F113 L119 S120F113-Q116 HydrophobicContact CB-CB 4.38Å; F113-Q116 PolarHBondContact O-N 2.99Å; Q116-L119 PolarHBondContact O-N 3.24Å; Q116-S120 VanDerWaalsContact O-CB 3.28Å; Q116-S120 WeakPolarHBondContact O-CB 3.32Å; Q116-S120 PolarHBondContact O-N 2.85Å
117Y70.6Confident77.2Confident49 Ų4995.5 Ų95.519%0.19247%0.472CS..Hα-helixtrans-63.4-42.1176.5-173.9-101.9000111.9E106 L109 F113 V115 L119 S120 R121E106-Y117 WeakPolarHBondContact OE2-CE2 3.44Å; E106-Y117 PolarHBondContact OE2-OH 3.31Å; L109-Y117 HydrophobicContact CB-CD2 4.14Å; F113-Y117 WeakPolarHBondContact O-CB 3.25Å; F113-Y117 PolarHBondContact O-N 3.5Å; V115-Y117 VanDerWaalsContact C-N 3.34Å; Y117-L119 VanDerWaalsContact C-N 3.27Å; Y117-L119 PolarHBondContact O-N 3.41Å; Y117-S120 PolarHBondContact O-N 3.29Å; Y117-R121 WeakPolarHBondContact O-CB 3.33Å; Y117-R121 PolarHBondContact O-N 3.47Å
118K68.8Low77.2Confident178 Ų17892.6 Ų92.677%0.77447%0.467SS*.Hα-helixtrans-63.6-33.2177.5-163.1176.1-177.3-177.10112.6P114 V115P114-K118 WeakPolarHBondContact O-CB 3.33Å; P114-K118 PolarHBondContact O-N 2.99Å; P114-K118 VanDerWaalsContact O-N 3.14Å; V115-K118 PolarHBondContact O-N 3.44Å
119L64Low77.1Confident145 Ų14587.3 Ų87.376%0.75945%0.454SS*.Hα-helixtrans-79.4-32.5176.1-79.3150.9000113.1V115 Q116 Y117V115-L119 HydrophobicContact CG1-CD1 4.31Å; V115-L119 WeakPolarHBondContact O-CD1 3.31Å; V115-L119 PolarHBondContact O-N 3.49Å; Q116-L119 PolarHBondContact O-N 3.24Å; Y117-L119 VanDerWaalsContact C-N 3.27Å; Y117-L119 PolarHBondContact O-N 3.41Å
120S64.4Low77.3Confident55 Ų5584.7 Ų84.739%0.38544%0.441SS..Hα-helixtrans-97.48.7-176.9-158.60000114Q116 Y117 R122 Y125Q116-S120 VanDerWaalsContact O-CB 3.28Å; Q116-S120 WeakPolarHBondContact O-CB 3.32Å; Q116-S120 PolarHBondContact O-N 2.85Å; Y117-S120 PolarHBondContact O-N 3.29Å; S120-R122 PolarHBondContact O-N 3.03Å; S120-Y125 WeakPolarHBondContact O-CE2 3.41Å
121R67.2Low77.6Confident118 Ų11888.2 Ų88.245%0.44545%0.453SS..  trans-69.769.5-176.8-166.3177.2165.7-140.8-11.6112P43 Y117P43-R121 HydrophobicContact CG-CG 4.5Å; Y117-R121 WeakPolarHBondContact O-CB 3.33Å; Y117-R121 PolarHBondContact O-N 3.47Å
122R74Confident77.7Confident161 Ų16185.8 Ų85.861%0.60844%0.439SS*.  trans-97.6124.2175.8-62.1-170.1178.2-1610.8109.3P43 S120 L124 Y125P43-R122 WeakPolarHBondContact CG-O 3.39Å; S120-R122 PolarHBondContact O-N 3.03Å; R122-L124 HydrophobicContact CB-CB 4.44Å; R122-L124 PolarHBondContact O-N 3.09Å; R122-Y125 HydrophobicContact CB-CD2 3.84Å; R122-Y125 HydrophobicContact CB-CE2 3.9Å; R122-Y125 HydrophobicContact CG-CE2 4.31Å; R122-Y125 WeakPolarHBondContact O-CD2 3.42Å; R122-Y125 PolarHBondContact O-N 3.08Å; R122-Y125 VanDerWaalsContact O-N 3.12Å
123P71Confident77.7Confident56 Ų5683.9 Ų83.936%0.36442%0.423SS..Hα-helixtrans-57.8-21.8177.624.3-33.8000112.6I46 Y125 G126 V127I46-P123 HydrophobicContact CD1-CB 3.76Å; P123-Y125 VanDerWaalsContact C-N 3.27Å; P123-Y125 PolarHBondContact O-N 2.92Å; P123-G126 PolarHBondContact O-N 3.41Å; P123-V127 PolarHBondContact O-N 3.04Å
124L78.2Confident77.9Confident104 Ų10482.7 Ų82.755%0.54542%0.415SS..Hα-helixtrans-54.7-37.5175.4-172.463.7000113.4R122 G126 V127 I128R122-L124 HydrophobicContact CB-CB 4.44Å; R122-L124 PolarHBondContact O-N 3.09Å; L124-G126 VanDerWaalsContact C-N 3.34Å; L124-G126 PolarHBondContact O-N 3.19Å; L124-V127 PolarHBondContact O-N 1.96Å; L124-I128 HydrophobicContact CD1-CD1 4.4Å; L124-I128 HydrophobicContact CD1-CG1 4.45Å; L124-I128 HydrophobicContact CD2-CD1 4.4Å; L124-I128 HydrophobicContact CG-CD1 3.86Å; L124-I128 HydrophobicContact CG-CG1 4.35Å; L124-I128 VanDerWaalsContact O-CG1 3.3Å; L124-I128 WeakPolarHBondContact O-CG1 3.17Å; L124-I128 PolarHBondContact O-N 3.29Å
125Y79.3Confident78.4Confident118 Ų11884.6 Ų84.646%0.46342%0.42SS..Hα-helixtrans-63.7-39.9179.1-69-69.8000112.3S120 R122 P123 V127 I128 A129S120-Y125 WeakPolarHBondContact O-CE2 3.41Å; R122-Y125 HydrophobicContact CB-CD2 3.84Å; R122-Y125 HydrophobicContact CB-CE2 3.9Å; R122-Y125 HydrophobicContact CG-CE2 4.31Å; R122-Y125 WeakPolarHBondContact O-CD2 3.42Å; R122-Y125 PolarHBondContact O-N 3.08Å; R122-Y125 VanDerWaalsContact O-N 3.12Å; P123-Y125 VanDerWaalsContact C-N 3.27Å; P123-Y125 PolarHBondContact O-N 2.92Å; Y125-V127 VanDerWaalsContact C-N 3.35Å; Y125-I128 PolarHBondContact O-N 3.27Å; Y125-A129 WeakPolarHBondContact O-CB 3.28Å; Y125-A129 PolarHBondContact O-N 2.96Å
126G78.5Confident78.8Confident1 Ų183.7 Ų83.71%0.0141%0.41CS..Hα-helixtrans-67.1-36.3175.800000112.4P123 L124 A130P123-G126 PolarHBondContact O-N 3.41Å; L124-G126 VanDerWaalsContact C-N 3.34Å; L124-G126 PolarHBondContact O-N 3.19Å; G126-A130 WeakPolarHBondContact O-CB 3.25Å; G126-A130 PolarHBondContact O-N 3.23Å
127V81.3Confident79.5Confident58 Ų5877.4 Ų77.435%0.35238%0.381SS..Hα-helixtrans-66.4-45.5174.1177.30000110.9I46 P123 L124 Y125 A130 L131I46-V127 HydrophobicContact CD1-CG2 4.03Å; I46-V127 HydrophobicContact CG2-CG2 4.1Å; P123-V127 PolarHBondContact O-N 3.04Å; L124-V127 PolarHBondContact O-N 1.96Å; Y125-V127 VanDerWaalsContact C-N 3.35Å; V127-A130 PolarHBondContact O-N 2.85Å; V127-L131 HydrophobicContact CG1-CD1 3.99Å; V127-L131 HydrophobicContact CG1-CG 4.41Å; V127-L131 WeakPolarHBondContact O-CB 3.47Å; V127-L131 WeakPolarHBondContact O-CG 3.04Å; V127-L131 PolarHBondContact O-N 3.08Å
128I85.7Confident80Confident82 Ų8278.4 Ų78.442%0.42139%0.386SS..Hα-helixtrans-61.6-47.9177.6-68.2167.3000110.3L124 Y125 A130 L131 V132L124-I128 HydrophobicContact CD1-CD1 4.4Å; L124-I128 HydrophobicContact CD1-CG1 4.45Å; L124-I128 HydrophobicContact CD2-CD1 4.4Å; L124-I128 HydrophobicContact CG-CD1 3.86Å; L124-I128 HydrophobicContact CG-CG1 4.35Å; L124-I128 VanDerWaalsContact O-CG1 3.3Å; L124-I128 WeakPolarHBondContact O-CG1 3.17Å; L124-I128 PolarHBondContact O-N 3.29Å; Y125-I128 PolarHBondContact O-N 3.27Å; I128-A130 VanDerWaalsContact C-N 3.32Å; I128-A130 PolarHBondContact O-N 2.93Å; I128-L131 PolarHBondContact O-N 3.42Å; I128-V132 HydrophobicContact CG2-CG2 4.38Å; I128-V132 WeakPolarHBondContact O-CG2 3.4Å; I128-V132 PolarHBondContact O-N 3.46Å
129A85.3Confident80.8Confident38 Ų3871.5 Ų71.531%0.31437%0.365SS..Hα-helixtrans-61-41.1178.700000112L47 Y125 V132 A133L47-A129 HydrophobicContact CD2-CB 3.97Å; Y125-A129 WeakPolarHBondContact O-CB 3.28Å; Y125-A129 PolarHBondContact O-N 2.96Å; A129-V132 PolarHBondContact O-N 3.05Å; A129-A133 WeakPolarHBondContact O-CB 3.42Å; A129-A133 PolarHBondContact O-N 3.47Å
130A86.5Confident81.3Confident4 Ų465.8 Ų65.83%0.03334%0.335CS..Hα-helixtrans-62.4-48.9173.300000111.5L47 N50 L99 G126 V127 I128 V132 A133 W134L47-A130 HydrophobicContact CD2-CB 4.44Å; N50-A130 HydrophobicContact CB-CB 4.32Å; L99-A130 HydrophobicContact CD2-CB 4.11Å; G126-A130 WeakPolarHBondContact O-CB 3.25Å; G126-A130 PolarHBondContact O-N 3.23Å; V127-A130 PolarHBondContact O-N 2.85Å; I128-A130 VanDerWaalsContact C-N 3.32Å; I128-A130 PolarHBondContact O-N 2.93Å; A130-V132 VanDerWaalsContact C-N 3.3Å; A130-V132 PolarHBondContact O-N 3.35Å; A130-A133 WeakPolarHBondContact O-CB 2.79Å; A130-A133 PolarHBondContact O-N 3.33Å; A130-A133 VanDerWaalsContact O-N 3.11Å; A130-W134 PolarHBondContact O-N 2.83Å
131L88.7Confident81.8Confident98 Ų9863.4 Ų63.451%0.51332%0.318SS..Hα-helixtrans-57.2-43.3178-75.5170.4000112.1V127 I128 W134 I135V127-L131 HydrophobicContact CG1-CD1 3.99Å; V127-L131 HydrophobicContact CG1-CG 4.41Å; V127-L131 WeakPolarHBondContact O-CB 3.47Å; V127-L131 WeakPolarHBondContact O-CG 3.04Å; V127-L131 PolarHBondContact O-N 3.08Å; I128-L131 PolarHBondContact O-N 3.42Å; L131-W134 PolarHBondContact O-N 3.18Å; L131-I135 WeakPolarHBondContact O-CB 2.98Å; L131-I135 VanDerWaalsContact O-CG1 3.26Å; L131-I135 WeakPolarHBondContact O-CG1 3.11Å; L131-I135 PolarHBondContact O-N 3.09Å
132V88.6Confident82.3Confident75 Ų7560.6 Ų60.646%0.45531%0.314SS..Hα-helixtrans-61.8-45.6175.6171.70000110.8I128 A129 A130 W134 I135 M136I128-V132 HydrophobicContact CG2-CG2 4.38Å; I128-V132 WeakPolarHBondContact O-CG2 3.4Å; I128-V132 PolarHBondContact O-N 3.46Å; A129-V132 PolarHBondContact O-N 3.05Å; A130-V132 VanDerWaalsContact C-N 3.3Å; A130-V132 PolarHBondContact O-N 3.35Å; V132-W134 VanDerWaalsContact C-N 3.33Å; V132-W134 PolarHBondContact O-N 3.11Å; V132-I135 PolarHBondContact O-N 2.72Å; V132-M136 HydrophobicContact CG1-CG 4.17Å; V132-M136 WeakPolarHBondContact O-CB 3.38Å; V132-M136 VanDerWaalsContact O-CG 3.27Å; V132-M136 WeakPolarHBondContact O-CG 3.19Å; V132-M136 PolarHBondContact O-N 3.36Å
133A88.4Confident82.3Confident3 Ų357.3 Ų57.33%0.02531%0.307CS..Hα-helixtrans-58.9-44176.900000112W98 L99 A129 A130 S137W98-A133 HydrophobicContact CB-CB 3.55Å; L99-A133 HydrophobicContact CD2-CB 4.04Å; L99-A133 HydrophobicContact CG-CB 4Å; A129-A133 WeakPolarHBondContact O-CB 3.42Å; A129-A133 PolarHBondContact O-N 3.47Å; A130-A133 WeakPolarHBondContact O-CB 2.79Å; A130-A133 PolarHBondContact O-N 3.33Å; A130-A133 VanDerWaalsContact O-N 3.11Å; A133-S137 VanDerWaalsContact O-CB 3.27Å; A133-S137 WeakPolarHBondContact O-CB 3.37Å; A133-S137 PolarHBondContact O-N 3.18Å; A133-S137 PolarHBondContact O-OG 2.78Å
134W87.8Confident82.2Confident74 Ų7455.4 Ų55.428%0.2830%0.295SS..Hα-helixtrans-62.8-50175.5-80.797.2000111.5N50 A130 L131 V132 M136 S137 F138N50-W134 PolarHBondContact OD1-NE1 3.35Å; A130-W134 PolarHBondContact O-N 2.83Å; L131-W134 PolarHBondContact O-N 3.18Å; V132-W134 VanDerWaalsContact C-N 3.33Å; V132-W134 PolarHBondContact O-N 3.11Å; W134-M136 PolarHBondContact O-N 2.74Å; W134-S137 PolarHBondContact O-N 3.47Å; W134-F138 HydrophobicContact CD2-CE2 4.21Å; W134-F138 AromaticContact CE3-CD2 3.66Å; W134-F138 HydrophobicContact CE3-CD2 3.66Å; W134-F138 AromaticContact CE3-CE2 3.02Å; W134-F138 HydrophobicContact CE3-CE2 3.02Å; W134-F138 AromaticContact CE3-CZ 3.69Å; W134-F138 HydrophobicContact CE3-CZ 3.69Å; W134-F138 HydrophobicContact CH2-CE2 4.37Å; W134-F138 HydrophobicContact CZ3-CD2 4.2Å; W134-F138 AromaticContact CZ3-CE2 3.14Å; W134-F138 HydrophobicContact CZ3-CE2 3.14Å; W134-F138 AromaticContact CZ3-CZ 3.4Å; W134-F138 HydrophobicContact CZ3-CZ 3.4Å; W134-F138 VanDerWaalsContact CZ3-CZ 3.4Å; W134-F138 WeakPolarHBondContact O-CB 3.26Å; W134-F138 WeakPolarHBondContact O-CD2 3.4Å; W134-F138 PolarHBondContact O-N 3.13Å
135I89.4Confident81.7Confident119 Ų11952.3 Ų52.361%0.6128%0.278SS*.Hα-helixtrans-61-45.6-178.9-68.5165.2000111.3L131 V132 S137 G139L131-I135 WeakPolarHBondContact O-CB 2.98Å; L131-I135 VanDerWaalsContact O-CG1 3.26Å; L131-I135 WeakPolarHBondContact O-CG1 3.11Å; L131-I135 PolarHBondContact O-N 3.09Å; V132-I135 PolarHBondContact O-N 2.72Å; I135-S137 PolarHBondContact O-N 3.08Å; I135-G139 WeakPolarHBondContact O-CA 3.4Å; I135-G139 PolarHBondContact O-N 3.38Å
136M85.6Confident81.3Confident89 Ų8950.9 Ų50.944%0.43828%0.278SS..Hα-helixtrans-62.7-44.1179.1-71.2-61.3-64.300111.7W98 V132 W134 H140W98-M136 HydrophobicContact CZ2-CE 4.47Å; V132-M136 HydrophobicContact CG1-CG 4.17Å; V132-M136 WeakPolarHBondContact O-CB 3.38Å; V132-M136 VanDerWaalsContact O-CG 3.27Å; V132-M136 WeakPolarHBondContact O-CG 3.19Å; V132-M136 PolarHBondContact O-N 3.36Å; W134-M136 PolarHBondContact O-N 2.74Å; M136-H140 VanDerWaalsContact O-CB 3.31Å; M136-H140 WeakPolarHBondContact O-CB 3.47Å; M136-H140 PolarHBondContact O-N 3.29Å
137S85.6Confident80.6Confident1 Ų152.3 Ų52.31%0.00729%0.286CS..Hα-helixtrans-71.5-40.9-176.8-52.40000112.3S91 Y94 C95 A133 W134 I135 C141S91-S137 PolarHBondContact OG-O 3.47Å; Y94-S137 VanDerWaalsContact C-OG 3.31Å; C95-S137 WeakPolarHBondContact CA-OG 3.29Å; C95-S137 PolarHBondContact N-OG 3.43Å; A133-S137 VanDerWaalsContact O-CB 3.27Å; A133-S137 WeakPolarHBondContact O-CB 3.37Å; A133-S137 PolarHBondContact O-N 3.18Å; A133-S137 PolarHBondContact O-OG 2.78Å; W134-S137 PolarHBondContact O-N 3.47Å; I135-S137 PolarHBondContact O-N 3.08Å; S137-C141 WeakPolarHBondContact O-CB 3.37Å; S137-C141 PolarHBondContact O-N 3.39Å; S137-C141 PolarHBondContact O-SG 3.29Å; S137-C141 VanDerWaalsContact O-SG 3.34Å
138F82.8Confident79.7Confident70 Ų7051.5 Ų51.531%0.30728%0.279SS..Hα-helixtrans-71.6-41.5176.3-82.8-105.6000111.2F87 S91 W134 T142F87-F138 AromaticContact CE1-CD1 3.8Å; F87-F138 HydrophobicContact CE1-CD1 3.8Å; F87-F138 AromaticContact CE1-CE1 3.57Å; F87-F138 HydrophobicContact CE1-CE1 3.57Å; F87-F138 HydrophobicContact CE1-CZ 4.34Å; F87-F138 AromaticContact CZ-CD1 3.53Å; F87-F138 HydrophobicContact CZ-CD1 3.53Å; F87-F138 AromaticContact CZ-CE1 3.83Å; F87-F138 HydrophobicContact CZ-CE1 3.83Å; F87-F138 HydrophobicContact CZ-CG 4.26Å; S91-F138 WeakPolarHBondContact OG-CD2 3.14Å; S91-F138 WeakPolarHBondContact OG-CE2 3.38Å; W134-F138 HydrophobicContact CD2-CE2 4.21Å; W134-F138 AromaticContact CE3-CD2 3.66Å; W134-F138 HydrophobicContact CE3-CD2 3.66Å; W134-F138 AromaticContact CE3-CE2 3.02Å; W134-F138 HydrophobicContact CE3-CE2 3.02Å; W134-F138 AromaticContact CE3-CZ 3.69Å; W134-F138 HydrophobicContact CE3-CZ 3.69Å; W134-F138 HydrophobicContact CH2-CE2 4.37Å; W134-F138 HydrophobicContact CZ3-CD2 4.2Å; W134-F138 AromaticContact CZ3-CE2 3.14Å; W134-F138 HydrophobicContact CZ3-CE2 3.14Å; W134-F138 AromaticContact CZ3-CZ 3.4Å; W134-F138 HydrophobicContact CZ3-CZ 3.4Å; W134-F138 VanDerWaalsContact CZ3-CZ 3.4Å; W134-F138 WeakPolarHBondContact O-CB 3.26Å; W134-F138 WeakPolarHBondContact O-CD2 3.4Å; W134-F138 PolarHBondContact O-N 3.13Å; F138-T142 WeakPolarHBondContact O-CB 3.42Å; F138-T142 PolarHBondContact O-N 2.84Å; F138-T142 PolarHBondContact O-OG1 3.43Å
139G83.6Confident78.6Confident33 Ų3355 Ų5534%0.3429%0.288SS..Hα-helixtrans-59.5-50177.400000112I135 T142 I143I135-G139 WeakPolarHBondContact O-CA 3.4Å; I135-G139 PolarHBondContact O-N 3.38Å; G139-T142 PolarHBondContact O-N 2.89Å; G139-I143 WeakPolarHBondContact O-CG1 3.24Å; G139-I143 PolarHBondContact O-N 3.42Å; G139-I143 VanDerWaalsContact O-N 3.09Å
140H76.5Confident77.3Confident24 Ų2458.6 Ų58.611%0.11130%0.301CS..Hα-helixtrans-60-50.5178.2-175.7-92.5000112.2Y94 M136 T142 I143 V144 V179Y94-H140 AromaticContact CE2-CE1 3.9Å; Y94-H140 AromaticContact CE2-ND1 3.71Å; Y94-H140 AromaticContact CZ-CE1 3.87Å; M136-H140 VanDerWaalsContact O-CB 3.31Å; M136-H140 WeakPolarHBondContact O-CB 3.47Å; M136-H140 PolarHBondContact O-N 3.29Å; H140-T142 VanDerWaalsContact C-N 3.31Å; H140-T142 PolarHBondContact O-N 3.44Å; H140-I143 PolarHBondContact O-N 2.76Å; H140-V144 WeakPolarHBondContact O-CG2 3.41Å; H140-V144 PolarHBondContact O-N 3.15Å; H140-V179 PolarHBondContact NE2-O 3.09Å
141C73.4Confident75.5Confident6 Ų662 Ų624%0.04132%0.319CS..Hα-helixtrans-67.7-30.9-179.8-69.30000113F87 S91 S137 V144 I145F87-C141 HydrophobicContact CD2-CB 3.57Å; F87-C141 HydrophobicContact CE2-CB 3.41Å; F87-C141 VanDerWaalsContact CE2-CB 3.41Å; F87-C141 HydrophobicContact CZ-CB 4.35Å; S91-C141 WeakPolarHBondContact CA-SG 3.43Å; S91-C141 PolarHBondContact N-SG 2.63Å; S137-C141 WeakPolarHBondContact O-CB 3.37Å; S137-C141 PolarHBondContact O-N 3.39Å; S137-C141 PolarHBondContact O-SG 3.29Å; S137-C141 VanDerWaalsContact O-SG 3.34Å; C141-V144 PolarHBondContact O-N 3.03Å; C141-I145 WeakPolarHBondContact O-CG1 3.37Å; C141-I145 PolarHBondContact O-N 2.92Å; C141-I145 VanDerWaalsContact O-N 3.09Å
142T78.1Confident73.7Confident58 Ų5860.5 Ų60.536%0.35632%0.317SS..Hα-helixtrans-67.3-42.3176.8-61.30000110.6F138 G139 H140 V144 I145 I146F138-T142 WeakPolarHBondContact O-CB 3.42Å; F138-T142 PolarHBondContact O-N 2.84Å; F138-T142 PolarHBondContact O-OG1 3.43Å; G139-T142 PolarHBondContact O-N 2.89Å; H140-T142 VanDerWaalsContact C-N 3.31Å; H140-T142 PolarHBondContact O-N 3.44Å; T142-V144 PolarHBondContact O-N 3.34Å; T142-I145 PolarHBondContact O-N 2.91Å; T142-I146 HydrophobicContact CG2-CD1 3.61Å; T142-I146 HydrophobicContact CG2-CG1 4.24Å; T142-I146 WeakPolarHBondContact O-CB 3.32Å; T142-I146 VanDerWaalsContact O-CG1 3.25Å; T142-I146 WeakPolarHBondContact O-CG1 3.06Å; T142-I146 PolarHBondContact O-N 2.94Å
143I74.8Confident71.6Confident92 Ų9261.5 Ų61.547%0.47232%0.323SS..Hα-helixtrans-60-47.4175.7-68.1164.4000110.3G139 H140 I145 I146 V147G139-I143 WeakPolarHBondContact O-CG1 3.24Å; G139-I143 PolarHBondContact O-N 3.42Å; G139-I143 VanDerWaalsContact O-N 3.09Å; H140-I143 PolarHBondContact O-N 2.76Å; I143-I145 VanDerWaalsContact C-N 3.32Å; I143-I145 PolarHBondContact O-N 3.04Å; I143-I146 PolarHBondContact O-N 2.98Å; I143-V147 HydrophobicContact CG2-CG2 4.49Å; I143-V147 VanDerWaalsContact O-CG2 3.26Å; I143-V147 WeakPolarHBondContact O-CG2 3.27Å; I143-V147 PolarHBondContact O-N 3.01Å
144V67.7Low69.4Low17 Ų1769.9 Ų69.910%0.10336%0.362CS..Hα-helixtrans-58.8-43179.41750000111.6H140 C141 T142 Q148H140-V144 WeakPolarHBondContact O-CG2 3.41Å; H140-V144 PolarHBondContact O-N 3.15Å; C141-V144 PolarHBondContact O-N 3.03Å; T142-V144 PolarHBondContact O-N 3.34Å; V144-Q148 WeakPolarHBondContact O-CB 3.25Å; V144-Q148 PolarHBondContact O-N 3.24Å; V144-Q148 VanDerWaalsContact O-N 3.09Å
145I68.4Low67.2Low38 Ų3874 Ų7420%0.19538%0.384CS..Hα-helixtrans-72.8-39.8-179.8-71.6-171.9000113F87 C141 T142 I143 V147 Q148 Y149F87-I145 HydrophobicContact CB-CD1 3.32Å; F87-I145 HydrophobicContact CD2-CD1 3.42Å; F87-I145 VanDerWaalsContact CD2-CD1 3.42Å; F87-I145 HydrophobicContact CD2-CG1 4.32Å; F87-I145 HydrophobicContact CG-CD1 3.74Å; C141-I145 WeakPolarHBondContact O-CG1 3.37Å; C141-I145 PolarHBondContact O-N 2.92Å; C141-I145 VanDerWaalsContact O-N 3.09Å; T142-I145 PolarHBondContact O-N 2.91Å; I143-I145 VanDerWaalsContact C-N 3.32Å; I143-I145 PolarHBondContact O-N 3.04Å; I145-V147 VanDerWaalsContact C-N 3.3Å; I145-V147 PolarHBondContact O-N 2.89Å; I145-Q148 PolarHBondContact O-N 3.31Å; I145-Y149 WeakPolarHBondContact O-CB 3.41Å; I145-Y149 PolarHBondContact O-N 3.49Å
146I69.9Low65.1Low89 Ų8975 Ų7546%0.45640%0.395SS..Hα-helixtrans-61.4-43.7177.4-72.1172.3000110T142 I143 Q148 Y149 L150T142-I146 HydrophobicContact CG2-CD1 3.61Å; T142-I146 HydrophobicContact CG2-CG1 4.24Å; T142-I146 WeakPolarHBondContact O-CB 3.32Å; T142-I146 VanDerWaalsContact O-CG1 3.25Å; T142-I146 WeakPolarHBondContact O-CG1 3.06Å; T142-I146 PolarHBondContact O-N 2.94Å; I143-I146 PolarHBondContact O-N 2.98Å; I146-Q148 VanDerWaalsContact C-N 3.29Å; I146-Q148 PolarHBondContact O-N 2.69Å; I146-Y149 PolarHBondContact O-N 3.36Å; I146-L150 HydrophobicContact CG2-CD1 3.48Å; I146-L150 VanDerWaalsContact CG2-CD1 3.48Å; I146-L150 HydrophobicContact CG2-CG 4.12Å; I146-L150 WeakPolarHBondContact O-CB 3.37Å; I146-L150 WeakPolarHBondContact O-CG 3.42Å; I146-L150 PolarHBondContact O-N 3.32Å
147V64.8Low62.7Low31 Ų3173.4 Ų73.419%0.18840%0.402CS..Hα-helixtrans-61.3-39.6175.51720000111.2I143 I145 V175 V176I143-V147 HydrophobicContact CG2-CG2 4.49Å; I143-V147 VanDerWaalsContact O-CG2 3.26Å; I143-V147 WeakPolarHBondContact O-CG2 3.27Å; I143-V147 PolarHBondContact O-N 3.01Å; I145-V147 VanDerWaalsContact C-N 3.3Å; I145-V147 PolarHBondContact O-N 2.89Å; V147-V175 HydrophobicContact CG1-CB 4.27Å; V147-V175 HydrophobicContact CG1-CG1 4Å; V147-V175 HydrophobicContact CG2-CG1 3.98Å; V147-V176 HydrophobicContact CG1-CG2 4.44Å
148Q62.3Low60.6Low40 Ų4080.3 Ų80.319%0.18744%0.444CS..Hα-helixtrans-70.4-39.6178.2-163.3170.58.800112.6V144 I145 I146 S152 F168V144-Q148 WeakPolarHBondContact O-CB 3.25Å; V144-Q148 PolarHBondContact O-N 3.24Å; V144-Q148 VanDerWaalsContact O-N 3.09Å; I145-Q148 PolarHBondContact O-N 3.31Å; I146-Q148 VanDerWaalsContact C-N 3.29Å; I146-Q148 PolarHBondContact O-N 2.69Å; Q148-S152 PolarHBondContact O-N 3.24Å; Q148-S152 PolarHBondContact O-OG 3.02Å; Q148-F168 HydrophobicContact CG-CE1 4.3Å
149Y62.3Low58.4Low155 Ų15585.5 Ų85.561%0.60847%0.47SS*.Hα-helixtrans-82.5-37.8-174.1-157.6-91.7000113.5I145 I146 N151 S152 T153I145-Y149 WeakPolarHBondContact O-CB 3.41Å; I145-Y149 PolarHBondContact O-N 3.49Å; I146-Y149 PolarHBondContact O-N 3.36Å; Y149-N151 PolarHBondContact O-N 3.33Å; Y149-S152 PolarHBondContact O-N 2.89Å; Y149-T153 PolarHBondContact O-OG1 3.06Å
150L57.7Low56.4Low115 Ų11592.3 Ų92.360%0.60250%0.498SS*.Hα-helixtrans-59.4-47.3177.8-78.1169.8000111.2I146 S152 T153I146-L150 HydrophobicContact CG2-CD1 3.48Å; I146-L150 VanDerWaalsContact CG2-CD1 3.48Å; I146-L150 HydrophobicContact CG2-CG 4.12Å; I146-L150 WeakPolarHBondContact O-CB 3.37Å; I146-L150 WeakPolarHBondContact O-CG 3.42Å; I146-L150 PolarHBondContact O-N 3.32Å; L150-S152 PolarHBondContact O-N 3.27Å; L150-T153 WeakPolarHBondContact O-CB 3.03Å; L150-T153 PolarHBondContact O-N 3.49Å; L150-T153 PolarHBondContact O-OG1 3.27Å; L150-T153 VanDerWaalsContact O-OG1 3.11Å
151N50.1Low54.7Low74 Ų7496.8 Ų96.840%0.39652%0.519SS..Hα-helixtrans-77.5-18.6179.9-78.43.9000114.1Y149 T153 E154Y149-N151 PolarHBondContact O-N 3.33Å; N151-T153 PolarHBondContact O-N 3.37Å; N151-E154 PolarHBondContact O-N 2.95Å
152S50.1Low53.5Low68 Ų68100 Ų10048%0.47654%0.535SS..Hα-helixtrans-66.8-16.5171.5-65.40000112.8Q148 Y149 L150 E154Q148-S152 PolarHBondContact O-N 3.24Å; Q148-S152 PolarHBondContact O-OG 3.02Å; Y149-S152 PolarHBondContact O-N 2.89Å; L150-S152 PolarHBondContact O-N 3.27Å; S152-E154 VanDerWaalsContact C-N 3.31Å
153T43.3Very low52.1Low95 Ų9599.9 Ų99.958%0.58353%0.534SS*.THydrogen-bonded Turntrans-75.6-19.7179.1-39.90000112.3Y149 L150 N151Y149-T153 PolarHBondContact O-OG1 3.06Å; L150-T153 WeakPolarHBondContact O-CB 3.03Å; L150-T153 PolarHBondContact O-N 3.49Å; L150-T153 PolarHBondContact O-OG1 3.27Å; L150-T153 VanDerWaalsContact O-OG1 3.11Å; N151-T153 PolarHBondContact O-N 3.37Å
154E43.7Very low51.4Low179 Ų17996.5 Ų96.584%0.83652%0.519SS*.SBendtrans-84.9-13.1176.9-70.9-150.214900114.3N151 S152N151-E154 PolarHBondContact O-N 2.95Å; S152-E154 VanDerWaalsContact C-N 3.31Å
155Q42Very low50.7Low161 Ų16197.9 Ų97.975%0.75252%0.522SS*.  trans-106.759.3175-69.4-153.2-2700112.6G157Q155-G157 PolarHBondContact O-N 3.46Å
156V44Very low49.9Very low139 Ų139102.4 Ų102.484%0.84254%0.543SS*.  trans-78.573159.6-174.50000108.2
157G36.2Very low49Very low57 Ų57104.1 Ų104.159%0.58855%0.553SS**  trans-130.9106.7172.500000109.3Q155 E159Q155-G157 PolarHBondContact O-N 3.46Å; G157-E159 PolarHBondContact O-N 3.4Å
158T41Very low48.3Very low145 Ų145105.1 Ų105.189%0.8956%0.555SS**  trans-15106.1164.522.20000116.3
159E37.5Very low47.9Very low180 Ų180106.5 Ų106.584%0.84157%0.566SS**  trans-170.9137.2132.8-106.3-177.2-176.500111.6G157 Q161G157-E159 PolarHBondContact O-N 3.4Å; E159-Q161 PolarHBondContact O-N 3.49Å
160N41.3Very low47.5Very low176 Ų176107.3 Ų107.394%0.94158%0.575SS**SBendtrans-76.943.5-169.8-78.2-29.4000114.3
161Q41.1Very low47.5Very low118 Ų118108.5 Ų108.555%0.55158%0.578SS**  trans-132.189.4179.4-159158.6-27.400111E159 T163E159-Q161 PolarHBondContact O-N 3.49Å; Q161-T163 PolarHBondContact O-N 3Å
162I48.4Very low47.5Very low73 Ų73105.6 Ų105.637%0.37456%0.561SS.*  trans-90.392.7-177.4-54164000107.3W75 K79W75-I162 WeakPolarHBondContact CB-O 3.43Å; K79-I162 HydrophobicContact CD-CD1 4.44Å; K79-I162 HydrophobicContact CG-CD1 4.03Å
163T48.6Very low47.8Very low55 Ų55105.6 Ų105.634%0.33756%0.556SS.*  trans-77117.3163320000107.8Q161 N167Q161-T163 PolarHBondContact O-N 3Å; T163-N167 PolarHBondContact OG1-ND2 3.26Å
164C59Low48.6Very low21 Ų21106.9 Ų106.914%0.14256%0.559CS.*  trans-96.1132.2-176.4-164.20000110.4W75 C82 E166W75-C164 HydrophobicContact CB-CB 4.15Å; W75-C164 HydrophobicContact CD2-CB 4.45Å; W75-C164 HydrophobicContact CG-CB 4.23Å; C82-C164 HydrophobicContact CB-CB 3.96Å; C82-C164 WeakPolarHBondContact CB-SG 3.2Å; C82-C164 WeakPolarHBondContact SG-CB 3.38Å; C82-C164 CovalentContact SG-SG 1.96Å; C82-C164 PolarHBondContact SG-SG 2.92Å; C164-E166 PolarHBondContact O-N 3.03Å; C164-E166 VanDerWaalsContact O-N 3.15Å
165Y53.8Low49.4Very low47 Ų47102 Ų10218%0.18454%0.541CS..SBendtrans71-1.8174.7-136.7-87000116.9Y90 F168Y90-Y165 AromaticContact CD2-CE1 3.91Å; Y90-Y165 HydrophobicContact CD2-CE1 3.91Å; Y90-Y165 AromaticContact CD2-CE2 3.89Å; Y90-Y165 HydrophobicContact CD2-CE2 3.89Å; Y90-Y165 AromaticContact CD2-CZ 3.37Å; Y90-Y165 WeakPolarHBondContact CD2-OH 3.35Å; Y90-Y165 HydrophobicContact CE1-CE1 4.19Å; Y90-Y165 AromaticContact CE2-CD1 3.71Å; Y90-Y165 HydrophobicContact CE2-CD1 3.71Å; Y90-Y165 HydrophobicContact CE2-CD2 4.25Å; Y90-Y165 AromaticContact CE2-CE1 3.03Å; Y90-Y165 HydrophobicContact CE2-CE1 3.03Å; Y90-Y165 AromaticContact CE2-CE2 3.63Å; Y90-Y165 HydrophobicContact CE2-CE2 3.63Å; Y90-Y165 HydrophobicContact CE2-CG 4.28Å; Y90-Y165 AromaticContact CE2-CZ 2.97Å; Y90-Y165 WeakPolarHBondContact CE2-OH 3.5Å; Y90-Y165 AromaticContact CZ-CD1 3.9Å; Y90-Y165 AromaticContact CZ-CE1 3.18Å; Y90-Y165 AromaticContact CZ-CZ 3.58Å; Y90-Y165 WeakPolarHBondContact OH-CD1 3.42Å; Y90-Y165 WeakPolarHBondContact OH-CE1 3.21Å; Y165-F168 HydrophobicContact CD1-CE2 4.48Å; Y165-F168 HydrophobicContact CD1-CZ 4.49Å; Y165-F168 HydrophobicContact CE1-CE2 4.44Å; Y165-F168 HydrophobicContact CE1-CZ 4.24Å
166E51.8Low50.2Low133 Ų13395.2 Ų95.262%0.62151%0.511SS*.SBendtrans-101.9-29.5178.7-71.8-137.3143.900114.9C164C164-E166 PolarHBondContact O-N 3.03Å; C164-E166 VanDerWaalsContact O-N 3.15Å
167N49.6Very low51.1Low124 Ų12492.4 Ų92.466%0.66349%0.491SS*.  trans-105.491.2-178.6-82.3-27.8000111.2T163T163-N167 PolarHBondContact OG1-ND2 3.26Å
168F50.7Low52.3Low53 Ų5394.6 Ų94.623%0.23250%0.495CS..  trans-87.2131.4161.2-64.4-82.7000108.9Q148 Y165 Q172 L173Q148-F168 HydrophobicContact CG-CE1 4.3Å; Y165-F168 HydrophobicContact CD1-CE2 4.48Å; Y165-F168 HydrophobicContact CD1-CZ 4.49Å; Y165-F168 HydrophobicContact CE1-CE2 4.44Å; Y165-F168 HydrophobicContact CE1-CZ 4.24Å; F168-Q172 HydrophobicContact CB-CB 4.16Å; F168-Q172 HydrophobicContact CD1-CB 4.22Å; F168-L173 HydrophobicContact CB-CD1 4.49Å
169T53.3Low53Low68 Ų6890.7 Ų90.742%0.41747%0.471SS..  trans-67.5158.1169.743.80000110.5E171 Q172 L173T169-E171 PolarHBondContact O-N 3.28Å; T169-Q172 WeakPolarHBondContact O-CB 3.48Å; T169-Q172 PolarHBondContact O-N 2.92Å; T169-Q172 WeakPolarHBondContact OG1-CG 3.47Å; T169-Q172 PolarHBondContact OG1-OE1 2.94Å; T169-L173 PolarHBondContact O-N 2.9Å
170Q55.3Low54Low172 Ų17287.2 Ų87.280%0.80445%0.45SS*.Hα-helixtrans-54.8-38-178.3-85.9-154.5-45.200113Q172 L173 D174Q170-Q172 VanDerWaalsContact C-N 3.34Å; Q170-Q172 PolarHBondContact O-N 3.36Å; Q170-L173 WeakPolarHBondContact O-CB 3.3Å; Q170-L173 PolarHBondContact O-N 3.27Å; Q170-D174 PolarHBondContact O-N 3.04Å; Q170-D174 VanDerWaalsContact O-N 3.09Å
171E56Low54.5Low141 Ų14184 Ų8466%0.65943%0.432SS*.Hα-helixtrans-66.7-33.9176.7-59.3-171.6175.500113T169 L173 V175T169-E171 PolarHBondContact O-N 3.28Å; E171-L173 VanDerWaalsContact C-N 3.33Å; E171-V175 WeakPolarHBondContact O-CG2 3.34Å; E171-V175 PolarHBondContact O-N 3.09Å
172Q50.3Low54.4Low12 Ų1287.3 Ų87.36%0.05645%0.448CS..Hα-helixtrans-69.2-36.2174.2-69.8175.6-35.300111F168 T169 Q170 V175 V176F168-Q172 HydrophobicContact CB-CB 4.16Å; F168-Q172 HydrophobicContact CD1-CB 4.22Å; T169-Q172 WeakPolarHBondContact O-CB 3.48Å; T169-Q172 PolarHBondContact O-N 2.92Å; T169-Q172 WeakPolarHBondContact OG1-CG 3.47Å; T169-Q172 PolarHBondContact OG1-OE1 2.94Å; Q170-Q172 VanDerWaalsContact C-N 3.34Å; Q170-Q172 PolarHBondContact O-N 3.36Å; Q172-V175 PolarHBondContact O-N 3.33Å; Q172-V176 WeakPolarHBondContact O-CB 3.5Å; Q172-V176 WeakPolarHBondContact O-CG2 3.32Å; Q172-V176 PolarHBondContact O-N 3.2Å
173L56.8Low54.7Low69 Ų6988.1 Ų88.136%0.36145%0.451SS..Hα-helixtrans-66.1-40.9178.6-154.470.9000110.9F168 T169 Q170 E171 V175 V176 L177F168-L173 HydrophobicContact CB-CD1 4.49Å; T169-L173 PolarHBondContact O-N 2.9Å; Q170-L173 WeakPolarHBondContact O-CB 3.3Å; Q170-L173 PolarHBondContact O-N 3.27Å; E171-L173 VanDerWaalsContact C-N 3.33Å; L173-V175 VanDerWaalsContact C-N 3.28Å; L173-V175 PolarHBondContact O-N 3.2Å; L173-V176 PolarHBondContact O-N 3.37Å; L173-L177 HydrophobicContact CB-CD1 4.43Å; L173-L177 HydrophobicContact CD1-CG 4.35Å; L173-L177 HydrophobicContact CD2-CD1 4.01Å; L173-L177 HydrophobicContact CG-CD1 3.62Å; L173-L177 HydrophobicContact CG-CG 3.88Å; L173-L177 WeakPolarHBondContact O-CB 3.23Å; L173-L177 WeakPolarHBondContact O-CD1 3.4Å; L173-L177 WeakPolarHBondContact O-CG 3.46Å; L173-L177 PolarHBondContact O-N 3.18Å
174D60.9Low55.1Low122 Ų12289.8 Ų89.865%0.65246%0.457SS*.Hα-helixtrans-64.2-28.8177-85-7.3000113.7Q170 P178Q170-D174 PolarHBondContact O-N 3.04Å; Q170-D174 VanDerWaalsContact O-N 3.09Å; D174-P178 WeakPolarHBondContact O-CD 3.49Å; D174-P178 VanDerWaalsContact O-CG 3.3Å; D174-P178 WeakPolarHBondContact O-CG 3.43Å
175V60.8Low54.8Low76 Ų7693.6 Ų93.646%0.46148%0.475SS..Hα-helixtrans-84.8-37.4175.9177.90000111.7V147 E171 Q172 L173 P178V147-V175 HydrophobicContact CG1-CB 4.27Å; V147-V175 HydrophobicContact CG1-CG1 4Å; V147-V175 HydrophobicContact CG2-CG1 3.98Å; E171-V175 WeakPolarHBondContact O-CG2 3.34Å; E171-V175 PolarHBondContact O-N 3.09Å; Q172-V175 PolarHBondContact O-N 3.33Å; L173-V175 VanDerWaalsContact C-N 3.28Å; L173-V175 PolarHBondContact O-N 3.2Å; V175-P178 WeakPolarHBondContact O-CD 3.32Å; V175-P178 WeakPolarHBondContact O-CG 3.32Å
176V57.8Low54.9Low19 Ų1996.4 Ų96.412%0.11549%0.492CS..Hα-helixtrans-80.1-41.7-175.8173.70000112V147 Q172 L173 V179 R180V147-V176 HydrophobicContact CG1-CG2 4.44Å; Q172-V176 WeakPolarHBondContact O-CB 3.5Å; Q172-V176 WeakPolarHBondContact O-CG2 3.32Å; Q172-V176 PolarHBondContact O-N 3.2Å; L173-V176 PolarHBondContact O-N 3.37Å; V176-V179 CarbonylContact O-C 3.58Å; V176-V179 PolarHBondContact O-N 2.96Å; V176-R180 WeakPolarHBondContact O-CB 3.14Å; V176-R180 PolarHBondContact O-N 3.46Å
177L62.4Low55.1Low80 Ų8094.1 Ų94.142%0.41948%0.484SS..G310 helixtrans-52-47-179.6-78.6169.1000114.5L173 V179 R180L173-L177 HydrophobicContact CB-CD1 4.43Å; L173-L177 HydrophobicContact CD1-CG 4.35Å; L173-L177 HydrophobicContact CD2-CD1 4.01Å; L173-L177 HydrophobicContact CG-CD1 3.62Å; L173-L177 HydrophobicContact CG-CG 3.88Å; L173-L177 WeakPolarHBondContact O-CB 3.23Å; L173-L177 WeakPolarHBondContact O-CD1 3.4Å; L173-L177 WeakPolarHBondContact O-CG 3.46Å; L173-L177 PolarHBondContact O-N 3.18Å; L177-V179 PolarHBondContact O-N 2.85Å; L177-R180 WeakPolarHBondContact O-CB 3.18Å; L177-R180 PolarHBondContact O-N 3.33Å
178P61.8Low55.5Low103 Ų10392.1 Ų92.167%0.66947%0.472SS*.G310 helixtrans-69.9-18.3-18025.4-34000113.7D174 V175D174-P178 WeakPolarHBondContact O-CD 3.49Å; D174-P178 VanDerWaalsContact O-CG 3.3Å; D174-P178 WeakPolarHBondContact O-CG 3.43Å; V175-P178 WeakPolarHBondContact O-CD 3.32Å; V175-P178 WeakPolarHBondContact O-CG 3.32Å
179V56.8Low55.8Low63 Ų6394.9 Ų94.938%0.38249%0.489SS..G310 helixtrans-100.9-8.1178.7-166.60000111.1H140 V176 L177 L181H140-V179 PolarHBondContact NE2-O 3.09Å; V176-V179 CarbonylContact O-C 3.58Å; V176-V179 PolarHBondContact O-N 2.96Å; L177-V179 PolarHBondContact O-N 2.85Å; V179-L181 PolarHBondContact O-N 3.06Å
180R56.8Low56Low106 Ų10696.9 Ų96.940%0.449%0.494SS..  trans-72.6103.2-179.3-160.1163.8171.1179.2-13.1108.6V176 L177 E182V176-R180 WeakPolarHBondContact O-CB 3.14Å; V176-R180 PolarHBondContact O-N 3.46Å; L177-R180 WeakPolarHBondContact O-CB 3.18Å; L177-R180 PolarHBondContact O-N 3.33Å; R180-E182 WeakPolarHBondContact CD-OE1 3.04Å; R180-E182 HydrophobicContact CG-CB 4.43Å; R180-E182 HydrophobicContact CG-CG 3.91Å; R180-E182 IonicContact CZ-OE1 3.66Å; R180-E182 VanDerWaalsContact CZ-OE1 3.28Å; R180-E182 IonicContact CZ-OE2 3.92Å; R180-E182 VanDerWaalsContact CZ-OE2 3.23Å; R180-E182 IonicContact NE-OE1 2.76Å; R180-E182 PolarHBondContact NE-OE1 2.99Å; R180-E182 IonicContact NE-OE2 3.28Å; R180-E182 PolarHBondContact NE-OE2 3.28Å; R180-E182 IonicContact NH1-OE1 2.94Å; R180-E182 IonicContact NH2-OE1 3.68Å; R180-E182 IonicContact NH2-OE2 2.89Å; R180-E182 PolarHBondContact NH2-OE2 3.28Å; R180-E182 PolarHBondContact O-N 3.4Å
181L52.5Low56.1Low108 Ų10890.7 Ų90.757%0.56547%0.469SS*.  trans-77.473.1172.2-67.9155.3000107.5Y94 V179Y94-L181 HydrophobicContact CE1-CB 4.29Å; V179-L181 PolarHBondContact O-N 3.06Å
182E39.7Very low56.1Low189 Ų18986.1 Ų86.188%0.88345%0.451SS*.  trans-116.20166.363.6-168.2163.600110.8R180R180-E182 WeakPolarHBondContact CD-OE1 3.04Å; R180-E182 HydrophobicContact CG-CB 4.43Å; R180-E182 HydrophobicContact CG-CG 3.91Å; R180-E182 IonicContact CZ-OE1 3.66Å; R180-E182 VanDerWaalsContact CZ-OE1 3.28Å; R180-E182 IonicContact CZ-OE2 3.92Å; R180-E182 VanDerWaalsContact CZ-OE2 3.23Å; R180-E182 IonicContact NE-OE1 2.76Å; R180-E182 PolarHBondContact NE-OE1 2.99Å; R180-E182 IonicContact NE-OE2 3.28Å; R180-E182 PolarHBondContact NE-OE2 3.28Å; R180-E182 IonicContact NH1-OE1 2.94Å; R180-E182 IonicContact NH2-OE1 3.68Å; R180-E182 IonicContact NH2-OE2 2.89Å; R180-E182 PolarHBondContact NH2-OE2 3.28Å; R180-E182 PolarHBondContact O-N 3.4Å

Retrieved 182 of 182 residues in 56.1 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).