A0A096NC50_PAPAN Loading...

Solute carrier family 25 member 2

AlphaFold DB , UniProt , Accession A0A096NC50, Species PAPAN (Papio anubis, Olive baboon), Gene SLC25A2, Length 301 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M48.1Very low77.9Confident214 Ų21486.7 Ų86.7100%1.05451%0.506SS*.  0131.50-86.5149.95300108.9S3M1-S3 PolarHBondContact O-N 3.14Å
2K54.8Low78.8Confident215 Ų21584.3 Ų84.394%0.93549%0.489SS*.  trans-68.8115.7171.7-80.8-178.8177.7178.10107.8S4K2-S4 PolarHBondContact O-N 3.26Å
3S63.7Low79.6Confident27 Ų2787.9 Ų87.919%0.18950%0.504CS..  trans-53.7133.4176.9-40.40000109.7M1 L298M1-S3 PolarHBondContact O-N 3.14Å; S3-L298 WeakPolarHBondContact OG-CD2 3.1Å
4S82.4Confident80.4Confident66 Ų6687.1 Ų87.146%0.46250%0.502SS..  trans-56.2140.3175.2173.60000110.1K2 G6 I7 Q8K2-S4 PolarHBondContact O-N 3.26Å; S4-G6 PolarHBondContact O-N 3.17Å; S4-I7 WeakPolarHBondContact O-CB 3.3Å; S4-I7 PolarHBondContact O-N 2.86Å; S4-Q8 PolarHBondContact O-N 3.34Å; S4-Q8 VanDerWaalsContact O-N 3.16Å
5P84.2Confident81Confident104 Ų10481.3 Ų81.368%0.67547%0.469SS*.Hα-helixtrans-51.4-33.2178.1-2733.7000113.6A9P5-A9 WeakPolarHBondContact O-CB 3.37Å; P5-A9 PolarHBondContact O-N 3.48Å
6G86.8Confident81.5Confident50 Ų5078.2 Ų78.252%0.51546%0.459SS..Hα-helixtrans-68.3-35.3176.400000113.8S4 A10S4-G6 PolarHBondContact O-N 3.17Å; G6-A10 WeakPolarHBondContact O-CB 3.34Å; G6-A10 PolarHBondContact O-N 3.32Å
7I85.8Confident82Confident71 Ų7177 Ų7736%0.36446%0.461SS..Hα-helixtrans-70.1-43.1176.8-64.8174.8000109.8S4 A9 A10 I11 L298S4-I7 WeakPolarHBondContact O-CB 3.3Å; S4-I7 PolarHBondContact O-N 2.86Å; I7-A9 VanDerWaalsContact C-N 3.34Å; I7-A9 PolarHBondContact O-N 2.95Å; I7-A10 PolarHBondContact O-N 3.04Å; I7-I11 HydrophobicContact CG2-CD1 3.95Å; I7-I11 HydrophobicContact CG2-CG1 4.47Å; I7-I11 VanDerWaalsContact O-CG1 3.31Å; I7-I11 WeakPolarHBondContact O-CG1 3.46Å; I7-I11 PolarHBondContact O-N 3.3Å; I7-L298 HydrophobicContact CG2-CD1 3.58Å; I7-L298 HydrophobicContact CG2-CD2 3.93Å; I7-L298 HydrophobicContact CG2-CG 4.42Å
8Q86.1Confident82.6Confident86 Ų8674.6 Ų74.640%0.40245%0.45SS..Hα-helixtrans-60.9-44.8175.9-67.4-174.7-14.300111.4S4 A10 I11 D12S4-Q8 PolarHBondContact O-N 3.34Å; S4-Q8 VanDerWaalsContact O-N 3.16Å; Q8-A10 VanDerWaalsContact C-N 3.33Å; Q8-A10 PolarHBondContact O-N 3.42Å; Q8-I11 PolarHBondContact O-N 3.47Å; Q8-D12 WeakPolarHBondContact O-CB 3.38Å; Q8-D12 PolarHBondContact O-N 3.18Å
9A86.8Confident83.1Confident59 Ų5970.7 Ų70.749%0.48843%0.427SS..Hα-helixtrans-60-41.1175.500000112.6P5 I7 L13P5-A9 WeakPolarHBondContact O-CB 3.37Å; P5-A9 PolarHBondContact O-N 3.48Å; I7-A9 VanDerWaalsContact C-N 3.34Å; I7-A9 PolarHBondContact O-N 2.95Å; A9-L13 WeakPolarHBondContact O-CB 3.37Å; A9-L13 PolarHBondContact O-N 2.91Å
10A88.8Confident83.5Confident51 Ų5167.3 Ų67.342%0.42141%0.407SS..Hα-helixtrans-66.5-39.217700000112.8G6 I7 Q8 T14G6-A10 WeakPolarHBondContact O-CB 3.34Å; G6-A10 PolarHBondContact O-N 3.32Å; I7-A10 PolarHBondContact O-N 3.04Å; Q8-A10 VanDerWaalsContact C-N 3.33Å; Q8-A10 PolarHBondContact O-N 3.42Å; A10-T14 WeakPolarHBondContact O-CB 3.19Å; A10-T14 PolarHBondContact O-N 2.79Å; A10-T14 PolarHBondContact O-OG1 3.47Å
11I89.6Confident83.9Confident11 Ų1167 Ų676%0.05641%0.405CS..Hα-helixtrans-63.7-50.8174.9-70.2172.5000110.1I7 Q8 L13 T14 A15 R291 M294 M295I7-I11 HydrophobicContact CG2-CD1 3.95Å; I7-I11 HydrophobicContact CG2-CG1 4.47Å; I7-I11 VanDerWaalsContact O-CG1 3.31Å; I7-I11 WeakPolarHBondContact O-CG1 3.46Å; I7-I11 PolarHBondContact O-N 3.3Å; Q8-I11 PolarHBondContact O-N 3.47Å; I11-L13 VanDerWaalsContact C-N 3.3Å; I11-L13 PolarHBondContact O-N 3.41Å; I11-T14 PolarHBondContact O-N 2.78Å; I11-A15 WeakPolarHBondContact O-CB 3.19Å; I11-A15 PolarHBondContact O-N 2.95Å; I11-R291 HydrophobicContact CG2-CG 4.03Å; I11-M294 HydrophobicContact CD1-CB 4.33Å; I11-M294 HydrophobicContact CG1-CB 4.08Å; I11-M294 HydrophobicContact CG1-SD 4.42Å; I11-M294 HydrophobicContact CG2-CB 4.01Å; I11-M294 HydrophobicContact CG2-CE 4.01Å; I11-M294 HydrophobicContact CG2-SD 4.38Å; I11-M294 WeakPolarHBondContact O-CE 3.44Å; I11-M295 HydrophobicContact CD1-CG 4.39Å; I11-M295 HydrophobicContact CD1-SD 3.76Å; I11-M295 HydrophobicContact CG2-CG 4.38Å
12D88.6Confident86.1Confident57 Ų5757.8 Ų57.831%0.30536%0.364SS..Hα-helixtrans-64.5-36.6-178.9-70.4-31.1000111.4Q8 G16 R291Q8-D12 WeakPolarHBondContact O-CB 3.38Å; Q8-D12 PolarHBondContact O-N 3.18Å; D12-G16 PolarHBondContact O-N 3.48Å; D12-R291 WeakPolarHBondContact OD1-CD 3.32Å; D12-R291 IonicContact OD1-CZ 3.48Å; D12-R291 IonicContact OD1-NE 2.86Å; D12-R291 PolarHBondContact OD1-NE 3.34Å
13L88.8Confident87.9Confident132 Ų13248.2 Ų48.269%0.69132%0.324SS*.Hα-helixtrans-63-47173.8-179.267.9000111.7A9 I11 G16 A17A9-L13 WeakPolarHBondContact O-CB 3.37Å; A9-L13 PolarHBondContact O-N 2.91Å; I11-L13 VanDerWaalsContact C-N 3.3Å; I11-L13 PolarHBondContact O-N 3.41Å; L13-G16 PolarHBondContact O-N 3.28Å; L13-A17 WeakPolarHBondContact O-CB 3.14Å; L13-A17 PolarHBondContact O-N 3.07Å
14T90.5Very high89.2Confident77 Ų7747.7 Ų47.747%0.47232%0.319SS..Hα-helixtrans-67.7-43.6-178.6-55.80000111.1A10 I11 G16 A17 A18 M294A10-T14 WeakPolarHBondContact O-CB 3.19Å; A10-T14 PolarHBondContact O-N 2.79Å; A10-T14 PolarHBondContact O-OG1 3.47Å; I11-T14 PolarHBondContact O-N 2.78Å; T14-G16 VanDerWaalsContact C-N 3.32Å; T14-G16 PolarHBondContact O-N 3.46Å; T14-A17 PolarHBondContact O-N 3.14Å; T14-A18 PolarHBondContact O-N 3.46Å; T14-M294 HydrophobicContact CG2-CE 4.06Å; T14-M294 HydrophobicContact CG2-SD 3.93Å
15A89.8Confident89.7Confident0 Ų047.9 Ų47.90%032%0.315CS..Hα-helixtrans-62.9-40.6174.500000111.4I11 A18 G19 Y287 R291 M294I11-A15 WeakPolarHBondContact O-CB 3.19Å; I11-A15 PolarHBondContact O-N 2.95Å; A15-A18 PolarHBondContact O-N 3.46Å; A15-G19 PolarHBondContact O-N 2.94Å; A15-Y287 HydrophobicContact CB-CD2 3.74Å; A15-Y287 HydrophobicContact CB-CE2 3.86Å; A15-Y287 HydrophobicContact CB-CG 4.47Å; A15-R291 HydrophobicContact CB-CB 3.86Å; A15-M294 HydrophobicContact CB-CE 3.94Å
16G89.3Confident90.2Very high31 Ų3145.3 Ų45.332%0.3230%0.297SS..Hα-helixtrans-61.3-42.9174.200000112.6D12 L13 T14 G19 G20D12-G16 PolarHBondContact O-N 3.48Å; L13-G16 PolarHBondContact O-N 3.28Å; T14-G16 VanDerWaalsContact C-N 3.32Å; T14-G16 PolarHBondContact O-N 3.46Å; G16-G19 PolarHBondContact O-N 2.9Å; G16-G20 PolarHBondContact O-N 3.42Å
17A90.8Very high90.4Very high58 Ų5843 Ų4348%0.47927%0.273SS..Hα-helixtrans-64.7-41.8175.500000112.3L13 T14 T21L13-A17 WeakPolarHBondContact O-CB 3.14Å; L13-A17 PolarHBondContact O-N 3.07Å; T14-A17 PolarHBondContact O-N 3.14Å; A17-T21 WeakPolarHBondContact O-CB 3.42Å; A17-T21 PolarHBondContact O-N 2.98Å; A17-T21 PolarHBondContact O-OG1 3.13Å
18A92.1Very high90.7Very high33 Ų3339.6 Ų39.627%0.27326%0.256SS..Hα-helixtrans-62.9-46.817500000111.6T14 A15 T21 A22T14-A18 PolarHBondContact O-N 3.46Å; A15-A18 PolarHBondContact O-N 3.46Å; A18-T21 PolarHBondContact O-N 3.35Å; A18-A22 WeakPolarHBondContact O-CB 3.43Å; A18-A22 PolarHBondContact O-N 3.27Å
19G91.9Very high91.1Very high2 Ų236.6 Ų36.62%0.02124%0.244CC..Hα-helixtrans-58.5-49174.900000112.9A15 G16 T21 A22 C23A15-G19 PolarHBondContact O-N 2.94Å; G16-G19 PolarHBondContact O-N 2.9Å; G19-T21 VanDerWaalsContact C-N 3.34Å; G19-T21 PolarHBondContact O-N 3.44Å; G19-A22 PolarHBondContact O-N 3.47Å; G19-C23 WeakPolarHBondContact O-CB 3.3Å; G19-C23 PolarHBondContact O-N 2.97Å
20G90.5Very high91.4Very high2 Ų236 Ų362%0.02123%0.23CC..Hα-helixtrans-60.5-42176.800000112.6G16 C23 V24G16-G20 PolarHBondContact O-N 3.42Å; G20-C23 WeakPolarHBondContact O-CB 3.36Å; G20-C23 PolarHBondContact O-N 3.42Å; G20-V24 WeakPolarHBondContact O-CG2 3.3Å; G20-V24 PolarHBondContact O-N 3.3Å
21T92.9Very high91.5Very high60 Ų6035 Ų3537%0.36822%0.218SC..Hα-helixtrans-64.1-46.1177.1-57.50000111.4A17 A18 G19 C23 V24 L25 L71A17-T21 WeakPolarHBondContact O-CB 3.42Å; A17-T21 PolarHBondContact O-N 2.98Å; A17-T21 PolarHBondContact O-OG1 3.13Å; A18-T21 PolarHBondContact O-N 3.35Å; G19-T21 VanDerWaalsContact C-N 3.34Å; G19-T21 PolarHBondContact O-N 3.44Å; T21-C23 VanDerWaalsContact C-N 3.33Å; T21-C23 PolarHBondContact O-N 2.96Å; T21-V24 PolarHBondContact O-N 2.98Å; T21-L25 HydrophobicContact CG2-CD1 3.89Å; T21-L25 HydrophobicContact CG2-CG 4.35Å; T21-L25 WeakPolarHBondContact O-CB 3.36Å; T21-L25 VanDerWaalsContact O-CG 3.31Å; T21-L25 WeakPolarHBondContact O-CG 3.28Å; T21-L25 PolarHBondContact O-N 3.4Å; T21-L71 HydrophobicContact CG2-CD2 4.31Å
22A93.8Very high91.6Very high22 Ų2234.5 Ų34.518%0.18222%0.215CC..Hα-helixtrans-61.5-41.3177.200000111.9A18 G19 L25 T26 A282 A286A18-A22 WeakPolarHBondContact O-CB 3.43Å; A18-A22 PolarHBondContact O-N 3.27Å; G19-A22 PolarHBondContact O-N 3.47Å; A22-L25 PolarHBondContact O-N 3.32Å; A22-T26 WeakPolarHBondContact O-CB 3.3Å; A22-T26 WeakPolarHBondContact O-CG2 3.25Å; A22-T26 PolarHBondContact O-N 3.06Å; A22-T26 PolarHBondContact O-OG1 2.99Å; A22-A282 HydrophobicContact CB-CB 4.23Å; A22-A286 HydrophobicContact CB-CB 3.63Å
23C92.6Very high91.7Very high14 Ų1432 Ų3210%0.09520%0.202CC..Hα-helixtrans-57.8-50.5175.1-173.40000112G19 G20 T21 T26 G27 L283G19-C23 WeakPolarHBondContact O-CB 3.3Å; G19-C23 PolarHBondContact O-N 2.97Å; G20-C23 WeakPolarHBondContact O-CB 3.36Å; G20-C23 PolarHBondContact O-N 3.42Å; T21-C23 VanDerWaalsContact C-N 3.33Å; T21-C23 PolarHBondContact O-N 2.96Å; C23-T26 PolarHBondContact O-OG1 3.22Å; C23-G27 PolarHBondContact O-N 3.25Å; C23-L283 HydrophobicContact CB-CB 3.94Å; C23-L283 HydrophobicContact CB-CD1 3.92Å; C23-L283 HydrophobicContact CB-CG 4.35Å
24V91.5Very high91.9Very high16 Ų1626.7 Ų26.710%0.09717%0.173CC..Hα-helixtrans-65.1-45.8-179.4172.90000110.6G20 T21 T26 G27 Q28 A70 L71 Y74G20-V24 WeakPolarHBondContact O-CG2 3.3Å; G20-V24 PolarHBondContact O-N 3.3Å; T21-V24 PolarHBondContact O-N 2.98Å; V24-T26 PolarHBondContact O-N 3.21Å; V24-G27 PolarHBondContact O-N 3.11Å; V24-Q28 WeakPolarHBondContact O-CB 3.42Å; V24-Q28 PolarHBondContact O-N 2.65Å; V24-A70 HydrophobicContact CG1-CB 3.9Å; V24-L71 HydrophobicContact CB-CD2 3.66Å; V24-L71 HydrophobicContact CB-CG 4.41Å; V24-L71 HydrophobicContact CG1-CD2 3.74Å; V24-L71 HydrophobicContact CG1-CG 3.92Å; V24-L71 HydrophobicContact CG2-CD2 3.98Å; V24-Y74 HydrophobicContact CG2-CD2 4.47Å; V24-Y74 HydrophobicContact CG2-CG 4.24Å
25L93.3Very high91.9Very high70 Ų7023.3 Ų23.337%0.36615%0.152SC..Hα-helixtrans-63.9-39.8-178.3-71.3175.3000113.1T21 A22 Y64 T67T21-L25 HydrophobicContact CG2-CD1 3.89Å; T21-L25 HydrophobicContact CG2-CG 4.35Å; T21-L25 WeakPolarHBondContact O-CB 3.36Å; T21-L25 VanDerWaalsContact O-CG 3.31Å; T21-L25 WeakPolarHBondContact O-CG 3.28Å; T21-L25 PolarHBondContact O-N 3.4Å; A22-L25 PolarHBondContact O-N 3.32Å; L25-Y64 HydrophobicContact CD2-CE1 4.45Å; L25-Y64 VanDerWaalsContact O-CE1 3.27Å; L25-Y64 WeakPolarHBondContact O-CE1 3.33Å; L25-T67 HydrophobicContact CD2-CG2 3.7Å
26T93.8Very high91.9Very high50 Ų5023.5 Ų23.531%0.30715%0.153SC..Hα-helixtrans-77.6-31.1178.453.90000112.3A22 C23 V24 A279 A282A22-T26 WeakPolarHBondContact O-CB 3.3Å; A22-T26 WeakPolarHBondContact O-CG2 3.25Å; A22-T26 PolarHBondContact O-N 3.06Å; A22-T26 PolarHBondContact O-OG1 2.99Å; C23-T26 PolarHBondContact O-OG1 3.22Å; V24-T26 PolarHBondContact O-N 3.21Å; T26-A279 WeakPolarHBondContact OG1-CA 3.49Å; T26-A282 HydrophobicContact CG2-CB 3.63Å; T26-A282 WeakPolarHBondContact OG1-CB 3.4Å
27G92.1Very high91.9Very high1 Ų122.8 Ų22.81%0.0114%0.142CC..Hα-helixtrans-80-28.6178.200000114.9C23 V24 P29 F30 D31 R275C23-G27 PolarHBondContact O-N 3.25Å; V24-G27 PolarHBondContact O-N 3.11Å; G27-P29 VanDerWaalsContact C-CD 3.49Å; G27-F30 PolarHBondContact O-N 3.06Å; G27-F30 VanDerWaalsContact O-N 3.08Å; G27-D31 PolarHBondContact O-N 3.25Å; G27-D31 VanDerWaalsContact O-N 3.12Å; G27-R275 WeakPolarHBondContact O-CD 3.1Å
28Q91.8Very high91.7Very high0 Ų020 Ų200%012%0.119CC..Hα-helixtrans-55.4-41.3-171.2-175.472.3700114.5V24 F30 D31 T32 F63 Y64 K65V24-Q28 WeakPolarHBondContact O-CB 3.42Å; V24-Q28 PolarHBondContact O-N 2.65Å; Q28-F30 VanDerWaalsContact C-N 3.28Å; Q28-F30 PolarHBondContact O-N 2.87Å; Q28-D31 PolarHBondContact O-N 2.92Å; Q28-T32 PolarHBondContact O-N 3.37Å; Q28-T32 PolarHBondContact O-OG1 2.67Å; Q28-T32 VanDerWaalsContact O-OG1 3.13Å; Q28-F63 WeakPolarHBondContact CG-O 3.46Å; Q28-Y64 HydrophobicContact CB-CD1 4.43Å; Q28-Y64 HydrophobicContact CG-CD1 4.41Å; Q28-K65 PolarHBondContact NE2-O 3.05Å; Q28-K65 VanDerWaalsContact NE2-O 3.14Å
29P93.7Very high91.4Very high22 Ų2218.9 Ų18.914%0.14311%0.108CC..Hα-helixtrans-58.2-40.5177.7-26.135.9000113.1G27 T32 I33 F63 Y64G27-P29 VanDerWaalsContact C-CD 3.49Å; P29-T32 PolarHBondContact O-N 3.3Å; P29-I33 WeakPolarHBondContact O-CD1 3.4Å; P29-I33 VanDerWaalsContact O-CG1 3.26Å; P29-I33 WeakPolarHBondContact O-CG1 3.41Å; P29-I33 PolarHBondContact O-N 3.18Å; P29-I33 VanDerWaalsContact O-N 3.08Å; P29-F63 HydrophobicContact CB-CB 4.02Å; P29-F63 HydrophobicContact CB-CD1 4.21Å; P29-F63 HydrophobicContact CB-CG 4.3Å; P29-F63 HydrophobicContact CG-CB 4.28Å; P29-Y64 HydrophobicContact CG-CE1 4.45Å; P29-Y64 HydrophobicContact CG-CE2 4.34Å
30F93.8Very high91.1Very high48 Ų4819.3 Ų19.321%0.21111%0.11CC..Hα-helixtrans-71.9-38.3178.1-60.2-78.5000112G27 Q28 T32 I33 K34 I274 R275 P278G27-F30 PolarHBondContact O-N 3.06Å; G27-F30 VanDerWaalsContact O-N 3.08Å; Q28-F30 VanDerWaalsContact C-N 3.28Å; Q28-F30 PolarHBondContact O-N 2.87Å; F30-T32 VanDerWaalsContact C-N 3.33Å; F30-I33 PolarHBondContact O-N 3.21Å; F30-K34 VanDerWaalsContact O-CB 3.28Å; F30-K34 WeakPolarHBondContact O-CB 3.24Å; F30-K34 PolarHBondContact O-N 3.07Å; F30-I274 HydrophobicContact CD1-CB 4.44Å; F30-I274 HydrophobicContact CD1-CG2 4.19Å; F30-I274 HydrophobicContact CE1-CB 4.14Å; F30-I274 HydrophobicContact CE1-CG2 3.43Å; F30-I274 VanDerWaalsContact CE1-CG2 3.43Å; F30-I274 HydrophobicContact CZ-CG2 3.77Å; F30-R275 HydrophobicContact CB-CB 3.61Å; F30-R275 HydrophobicContact CB-CG 3.76Å; F30-R275 HydrophobicContact CD2-CB 4Å; F30-R275 HydrophobicContact CD2-CG 3.97Å; F30-R275 HydrophobicContact CG-CB 3.84Å; F30-R275 HydrophobicContact CG-CG 4.14Å; F30-P278 HydrophobicContact CE2-CG 4.04Å
31D90.6Very high90.7Very high30 Ų3020.8 Ų20.816%0.1612%0.119CC..Hα-helixtrans-60.4-44.5173.6-76.7-3.1000111.3G27 Q28 K34 V35 K131 R275G27-D31 PolarHBondContact O-N 3.25Å; G27-D31 VanDerWaalsContact O-N 3.12Å; Q28-D31 PolarHBondContact O-N 2.92Å; D31-K34 WeakPolarHBondContact O-CB 3.14Å; D31-K34 PolarHBondContact O-N 3.44Å; D31-V35 WeakPolarHBondContact O-CG2 3.31Å; D31-V35 PolarHBondContact O-N 3.35Å; D31-K131 IonicContact OD2-NZ 4Å; D31-K131 PolarHBondContact OD2-NZ 2.7Å; D31-R275 WeakPolarHBondContact OD1-CD 3.48Å; D31-R275 IonicContact OD1-NE 3.14Å; D31-R275 PolarHBondContact OD1-NE 3.16Å
32T90.7Very high90.3Very high0 Ų025.3 Ų25.30%014%0.141CC..Hα-helixtrans-62.8-45178-62.50000111.1Q28 P29 F30 V35 K36 F63 Q135Q28-T32 PolarHBondContact O-N 3.37Å; Q28-T32 PolarHBondContact O-OG1 2.67Å; Q28-T32 VanDerWaalsContact O-OG1 3.13Å; P29-T32 PolarHBondContact O-N 3.3Å; F30-T32 VanDerWaalsContact C-N 3.33Å; T32-V35 PolarHBondContact O-N 3.19Å; T32-K36 HydrophobicContact CG2-CD 4.3Å; T32-K36 WeakPolarHBondContact O-CB 3.35Å; T32-K36 VanDerWaalsContact O-CG 3.3Å; T32-K36 WeakPolarHBondContact O-CG 3.24Å; T32-K36 PolarHBondContact O-N 2.81Å; T32-F63 PolarHBondContact OG1-O 3.19Å; T32-Q135 HydrophobicContact CG2-CB 4.42Å; T32-Q135 HydrophobicContact CG2-CG 4.31Å; T32-Q135 PolarHBondContact OG1-NE2 3.47Å
33I92.3Very high89.9Confident4 Ų427.5 Ų27.52%0.02115%0.149CC..Hα-helixtrans-62.9-45.2176.8-67.9162.4000111P29 F30 V35 K36 M37 L47 C50 F51 F63 A271P29-I33 WeakPolarHBondContact O-CD1 3.4Å; P29-I33 VanDerWaalsContact O-CG1 3.26Å; P29-I33 WeakPolarHBondContact O-CG1 3.41Å; P29-I33 PolarHBondContact O-N 3.18Å; P29-I33 VanDerWaalsContact O-N 3.08Å; F30-I33 PolarHBondContact O-N 3.21Å; I33-V35 PolarHBondContact O-N 2.92Å; I33-K36 PolarHBondContact O-N 2.99Å; I33-M37 HydrophobicContact CG2-CG 4.23Å; I33-M37 HydrophobicContact CG2-SD 3.79Å; I33-M37 WeakPolarHBondContact O-CB 3.47Å; I33-M37 VanDerWaalsContact O-CG 3.3Å; I33-M37 WeakPolarHBondContact O-CG 3.42Å; I33-M37 PolarHBondContact O-N 2.89Å; I33-L47 HydrophobicContact CG2-CD1 3.65Å; I33-L47 HydrophobicContact CG2-CG 4.46Å; I33-C50 HydrophobicContact CG2-CB 3.99Å; I33-F51 HydrophobicContact CD1-CB 4.2Å; I33-F51 HydrophobicContact CD1-CD2 3.88Å; I33-F63 HydrophobicContact CD1-CD1 4.34Å; I33-F63 HydrophobicContact CD1-CE1 3.92Å; I33-F63 HydrophobicContact CG1-CD1 4.26Å; I33-F63 HydrophobicContact CG1-CE1 3.93Å; I33-A271 HydrophobicContact CG2-CB 4.49Å
34K92.6Very high89.7Confident20 Ų2027 Ų279%0.08715%0.146CC..Hα-helixtrans-54.3-54.9176.5176-152.5170.7-166.40110.8F30 D31 K36 M37 Q38 D231 A271F30-K34 VanDerWaalsContact O-CB 3.28Å; F30-K34 WeakPolarHBondContact O-CB 3.24Å; F30-K34 PolarHBondContact O-N 3.07Å; D31-K34 WeakPolarHBondContact O-CB 3.14Å; D31-K34 PolarHBondContact O-N 3.44Å; K34-K36 VanDerWaalsContact C-N 3.33Å; K34-K36 PolarHBondContact O-N 3.07Å; K34-M37 PolarHBondContact O-N 3.49Å; K34-Q38 VanDerWaalsContact CE-NE2 3.33Å; K34-Q38 WeakPolarHBondContact O-CB 3.11Å; K34-Q38 WeakPolarHBondContact O-CG 3.3Å; K34-Q38 PolarHBondContact O-N 3.46Å; K34-D231 WeakPolarHBondContact CE-OD2 3.25Å; K34-D231 IonicContact NZ-OD1 2.93Å; K34-D231 PolarHBondContact NZ-OD1 2.82Å; K34-D231 IonicContact NZ-OD2 3.89Å; K34-D231 PolarHBondContact NZ-OD2 3.28Å; K34-A271 HydrophobicContact CB-CB 4.22Å
35V89.3Confident89.3Confident7 Ų735.6 Ų35.64%0.04218%0.182CC..Hα-helixtrans-62.7-40.2-177172.30000111.5D31 T32 I33 Q38 T39 C132 Q135 T136D31-V35 WeakPolarHBondContact O-CG2 3.31Å; D31-V35 PolarHBondContact O-N 3.35Å; T32-V35 PolarHBondContact O-N 3.19Å; I33-V35 PolarHBondContact O-N 2.92Å; V35-Q38 PolarHBondContact O-N 3.29Å; V35-T39 WeakPolarHBondContact O-CB 3.46Å; V35-T39 PolarHBondContact O-N 2.91Å; V35-T39 PolarHBondContact O-OG1 3.36Å; V35-C132 HydrophobicContact CG1-CB 4.32Å; V35-Q135 HydrophobicContact CG1-CB 4.43Å; V35-T136 HydrophobicContact CG1-CG2 3.67Å
36K90.5Very high89Confident4 Ų433.2 Ų33.22%0.01717%0.173CC..Hα-helixtrans-62.6-46.6175.3-75-176.2178.7-156.50112.4T32 I33 K34 Q38 T39 F40 Y44 T54 Q135 E139T32-K36 HydrophobicContact CG2-CD 4.3Å; T32-K36 WeakPolarHBondContact O-CB 3.35Å; T32-K36 VanDerWaalsContact O-CG 3.3Å; T32-K36 WeakPolarHBondContact O-CG 3.24Å; T32-K36 PolarHBondContact O-N 2.81Å; I33-K36 PolarHBondContact O-N 2.99Å; K34-K36 VanDerWaalsContact C-N 3.33Å; K34-K36 PolarHBondContact O-N 3.07Å; K36-Q38 VanDerWaalsContact C-N 3.34Å; K36-Q38 PolarHBondContact O-N 2.92Å; K36-T39 PolarHBondContact O-N 3.28Å; K36-F40 PolarHBondContact O-N 3.02Å; K36-Y44 HydrophobicContact CB-CD2 4.22Å; K36-Y44 HydrophobicContact CB-CE2 3.8Å; K36-Y44 HydrophobicContact CD-CE2 4.4Å; K36-Y44 HydrophobicContact CG-CE2 4.48Å; K36-T54 PolarHBondContact NZ-OG1 2.62Å; K36-T54 VanDerWaalsContact NZ-OG1 3.15Å; K36-Q135 WeakPolarHBondContact CE-O 3.15Å; K36-E139 WeakPolarHBondContact CE-OE1 3.33Å; K36-E139 IonicContact NZ-OE1 2.78Å; K36-E139 PolarHBondContact NZ-OE1 2.92Å; K36-E139 IonicContact NZ-OE2 2.7Å
37M90.2Very high88.8Confident16 Ų1632.8 Ų32.88%0.07917%0.169CC..Hα-helixtrans-65.9-34.5177.7-72.7-177.265.200113I33 K34 L47 C50 S267I33-M37 HydrophobicContact CG2-CG 4.23Å; I33-M37 HydrophobicContact CG2-SD 3.79Å; I33-M37 WeakPolarHBondContact O-CB 3.47Å; I33-M37 VanDerWaalsContact O-CG 3.3Å; I33-M37 WeakPolarHBondContact O-CG 3.42Å; I33-M37 PolarHBondContact O-N 2.89Å; K34-M37 PolarHBondContact O-N 3.49Å; M37-L47 HydrophobicContact SD-CB 4.43Å; M37-C50 HydrophobicContact CG-CB 3.92Å; M37-C50 HydrophobicContact SD-CB 4.32Å; M37-S267 PolarHBondContact O-OG 3.4Å; M37-S267 VanDerWaalsContact O-OG 3.06Å
38Q86.4Confident88.8Confident0 Ų037.6 Ų37.60%020%0.199CC..Hα-helixtrans-72-31.4176.1-74.8176.4-28.400112.2K34 V35 K36 D231 C232 S235 R236 S267K34-Q38 VanDerWaalsContact CE-NE2 3.33Å; K34-Q38 WeakPolarHBondContact O-CB 3.11Å; K34-Q38 WeakPolarHBondContact O-CG 3.3Å; K34-Q38 PolarHBondContact O-N 3.46Å; V35-Q38 PolarHBondContact O-N 3.29Å; K36-Q38 VanDerWaalsContact C-N 3.34Å; K36-Q38 PolarHBondContact O-N 2.92Å; Q38-D231 PolarHBondContact NE2-OD2 3.47Å; Q38-D231 PolarHBondContact OE1-OD2 3.41Å; Q38-C232 HydrophobicContact CG-CB 4.41Å; Q38-S235 PolarHBondContact OE1-OG 3.17Å; Q38-R236 WeakPolarHBondContact O-CG 3.49Å; Q38-R236 PolarHBondContact O-NE 3.47Å; Q38-R236 PolarHBondContact O-NH2 3.46Å; Q38-S267 WeakPolarHBondContact CG-O 3.4Å
39T84.9Confident88.8Confident8 Ų839.6 Ų39.65%0.04921%0.209CC..Hα-helixtrans-90.2-36.3-175.8-52.70000112.7V35 K36 P41 T136 M140 V239V35-T39 WeakPolarHBondContact O-CB 3.46Å; V35-T39 PolarHBondContact O-N 2.91Å; V35-T39 PolarHBondContact O-OG1 3.36Å; K36-T39 PolarHBondContact O-N 3.28Å; T39-P41 VanDerWaalsContact C-CD 3.42Å; T39-P41 WeakPolarHBondContact O-CD 3.48Å; T39-T136 HydrophobicContact CG2-CG2 4.37Å; T39-M140 HydrophobicContact CG2-CE 3.99Å; T39-V239 HydrophobicContact CG2-CB 3.94Å; T39-V239 HydrophobicContact CG2-CG1 3.41Å; T39-V239 VanDerWaalsContact CG2-CG1 3.41Å
40F86.4Confident88.7Confident11 Ų1138.5 Ų38.55%0.04820%0.202CC..  trans-124.768.5-174.5-53.3-82.3000111.4K36 D42 L43 Y44 T136 E139 M140K36-F40 PolarHBondContact O-N 3.02Å; F40-D42 VanDerWaalsContact C-N 3.27Å; F40-D42 PolarHBondContact O-N 2.92Å; F40-L43 HydrophobicContact CB-CB 3.81Å; F40-L43 HydrophobicContact CB-CD2 4.39Å; F40-L43 PolarHBondContact O-N 3.07Å; F40-Y44 HydrophobicContact CB-CD2 4.13Å; F40-Y44 HydrophobicContact CB-CE2 4.22Å; F40-Y44 PolarHBondContact O-N 3.31Å; F40-T136 HydrophobicContact CE2-CG2 3.93Å; F40-E139 HydrophobicContact CD1-CB 4.42Å; F40-E139 HydrophobicContact CD2-CB 3.82Å; F40-E139 HydrophobicContact CD2-CG 4.05Å; F40-E139 HydrophobicContact CE1-CB 4Å; F40-E139 HydrophobicContact CE2-CB 3.34Å; F40-E139 HydrophobicContact CE2-CG 3.94Å; F40-E139 HydrophobicContact CG-CB 4.33Å; F40-E139 HydrophobicContact CZ-CB 3.42Å; F40-E139 VanDerWaalsContact CZ-CB 3.42Å; F40-E139 HydrophobicContact CZ-CG 4.47Å; F40-M140 HydrophobicContact CE1-CE 3.72Å; F40-M140 HydrophobicContact CE1-SD 3.79Å; F40-M140 HydrophobicContact CE2-CE 4.43Å; F40-M140 HydrophobicContact CZ-CE 3.42Å; F40-M140 VanDerWaalsContact CZ-CE 3.42Å; F40-M140 HydrophobicContact CZ-CG 3.86Å; F40-M140 HydrophobicContact CZ-SD 3.66Å
41P82.6Confident88.7Confident34 Ų3440.6 Ų40.622%0.22121%0.211CC..THydrogen-bonded Turntrans-60.1-36.5-179.227.5-37.7000112.3T39 L43 E260T39-P41 VanDerWaalsContact C-CD 3.42Å; T39-P41 WeakPolarHBondContact O-CD 3.48Å; P41-L43 VanDerWaalsContact C-N 3.3Å; P41-L43 PolarHBondContact O-N 2.97Å; P41-E260 VanDerWaalsContact CG-OE2 3.3Å; P41-E260 WeakPolarHBondContact CG-OE2 3.48Å
42D84.4Confident88.8Confident155 Ų15544.1 Ų44.183%0.82923%0.23SC*.THydrogen-bonded Turntrans-71.3-26.2-180-55.2-48.8000113F40F40-D42 VanDerWaalsContact C-N 3.27Å; F40-D42 PolarHBondContact O-N 2.92Å
43L85Confident88.9Confident67 Ų6747 Ų4735%0.35124%0.242SC..THydrogen-bonded Turntrans-83.9-29.3-177.1-169.862.1000112.1F40 P41 K53 E139F40-L43 HydrophobicContact CB-CB 3.81Å; F40-L43 HydrophobicContact CB-CD2 4.39Å; F40-L43 PolarHBondContact O-N 3.07Å; P41-L43 VanDerWaalsContact C-N 3.3Å; P41-L43 PolarHBondContact O-N 2.97Å; L43-K53 PolarHBondContact O-NZ 3.4Å; L43-E139 HydrophobicContact CD2-CB 4.4Å; L43-E139 HydrophobicContact CD2-CG 3.96Å
44Y87.1Confident88.8Confident5 Ų546.8 Ų46.82%0.0224%0.241CC..  trans-127109.5-172-59.8-61.4000111.9K36 F40 G46 C50 K53 E139K36-Y44 HydrophobicContact CB-CD2 4.22Å; K36-Y44 HydrophobicContact CB-CE2 3.8Å; K36-Y44 HydrophobicContact CD-CE2 4.4Å; K36-Y44 HydrophobicContact CG-CE2 4.48Å; F40-Y44 HydrophobicContact CB-CD2 4.13Å; F40-Y44 HydrophobicContact CB-CE2 4.22Å; F40-Y44 PolarHBondContact O-N 3.31Å; Y44-G46 PolarHBondContact O-N 2.88Å; Y44-C50 VanDerWaalsContact CD1-CA 3.45Å; Y44-C50 HydrophobicContact CD1-CB 3.68Å; Y44-C50 HydrophobicContact CE1-CB 4.26Å; Y44-C50 HydrophobicContact CG-CB 3.87Å; Y44-K53 HydrophobicContact CD1-CD 3.94Å; Y44-K53 HydrophobicContact CE1-CB 3.97Å; Y44-K53 HydrophobicContact CE1-CD 3.9Å; Y44-E139 HydrophobicContact CE2-CG 4.2Å; Y44-E139 VanDerWaalsContact OH-CG 3.31Å; Y44-E139 WeakPolarHBondContact OH-CG 3.21Å; Y44-E139 PolarHBondContact OH-OE1 3.44Å; Y44-E139 VanDerWaalsContact OH-OE1 3.07Å
45K83.1Confident88.8Confident196 Ų19651.5 Ų51.585%0.85226%0.259SS*.SBendtrans-75.1-14-178.6-62.6-176179.8-178.10113.5D49K45-D49 PolarHBondContact N-OD2 3.03Å
46G87.8Confident88.8Confident19 Ų1956.4 Ų56.420%0.19629%0.289CS..SBendtrans176.7179.8-177.300000113.5Y44 T48 D49 C50Y44-G46 PolarHBondContact O-N 2.88Å; G46-T48 PolarHBondContact O-N 2.83Å; G46-D49 PolarHBondContact O-N 3.24Å; G46-C50 WeakPolarHBondContact O-CB 3.36Å; G46-C50 PolarHBondContact O-N 2.82Å
47L90.4Very high88.7Confident41 Ų4160.1 Ų60.122%0.21531%0.307CS..Hα-helixtrans-57.3-50.1-178.1-174.886.4000112.3I33 M37 C50 F51 A271 I274I33-L47 HydrophobicContact CG2-CD1 3.65Å; I33-L47 HydrophobicContact CG2-CG 4.46Å; M37-L47 HydrophobicContact SD-CB 4.43Å; L47-C50 PolarHBondContact O-N 3.28Å; L47-F51 WeakPolarHBondContact O-CB 3.33Å; L47-F51 PolarHBondContact O-N 3.42Å; L47-A271 HydrophobicContact CD1-CB 3.37Å; L47-I274 HydrophobicContact CD2-CD1 3.71Å
48T91.6Very high88.4Confident103 Ų10362 Ų6263%0.63232%0.319SS*.Hα-helixtrans-67.4-42.2-176.649.10000111.8G46 F51 L52G46-T48 PolarHBondContact O-N 2.83Å; T48-F51 PolarHBondContact O-N 2.9Å; T48-L52 WeakPolarHBondContact O-CB 3.27Å; T48-L52 WeakPolarHBondContact O-CG 3.46Å; T48-L52 PolarHBondContact O-N 3.48Å
49D92.4Very high88.6Confident41 Ų4163 Ų6322%0.21933%0.33CS..Hα-helixtrans-61.2-46.3174.8-178.350.7000111.2K45 G46 F51 L52 K53K45-D49 PolarHBondContact N-OD2 3.03Å; G46-D49 PolarHBondContact O-N 3.24Å; D49-F51 PolarHBondContact O-N 2.75Å; D49-L52 PolarHBondContact O-N 3.29Å; D49-K53 VanDerWaalsContact CG-NZ 3.35Å; D49-K53 WeakPolarHBondContact O-CB 3.13Å; D49-K53 WeakPolarHBondContact O-CG 3.38Å; D49-K53 PolarHBondContact O-N 3.01Å; D49-K53 WeakPolarHBondContact OD1-CE 3.29Å; D49-K53 IonicContact OD1-NZ 2.62Å; D49-K53 PolarHBondContact OD1-NZ 3.43Å; D49-K53 VanDerWaalsContact OD1-NZ 3.14Å; D49-K53 IonicContact OD2-NZ 3.82Å; D49-K53 PolarHBondContact OD2-NZ 3Å
50C91.6Very high88.7Confident0 Ų067.9 Ų67.90%036%0.355CS..Hα-helixtrans-62.7-41.1176.2-172.60000112.7I33 M37 Y44 G46 L47 T54I33-C50 HydrophobicContact CG2-CB 3.99Å; M37-C50 HydrophobicContact CG-CB 3.92Å; M37-C50 HydrophobicContact SD-CB 4.32Å; Y44-C50 VanDerWaalsContact CD1-CA 3.45Å; Y44-C50 HydrophobicContact CD1-CB 3.68Å; Y44-C50 HydrophobicContact CE1-CB 4.26Å; Y44-C50 HydrophobicContact CG-CB 3.87Å; G46-C50 WeakPolarHBondContact O-CB 3.36Å; G46-C50 PolarHBondContact O-N 2.82Å; L47-C50 PolarHBondContact O-N 3.28Å; C50-T54 VanDerWaalsContact O-CB 3.24Å; C50-T54 WeakPolarHBondContact O-CB 3.5Å; C50-T54 PolarHBondContact O-N 3.4Å; C50-T54 PolarHBondContact O-OG1 3.45Å
51F93.3Very high88.7Confident91 Ų9178 Ų7840%0.39939%0.392SS..Hα-helixtrans-62.1-53.8176.5179.6-89.8000111.2I33 L47 T48 D49 K53 T54 Y55 F63I33-F51 HydrophobicContact CD1-CB 4.2Å; I33-F51 HydrophobicContact CD1-CD2 3.88Å; L47-F51 WeakPolarHBondContact O-CB 3.33Å; L47-F51 PolarHBondContact O-N 3.42Å; T48-F51 PolarHBondContact O-N 2.9Å; D49-F51 PolarHBondContact O-N 2.75Å; F51-K53 PolarHBondContact O-N 3.35Å; F51-T54 PolarHBondContact O-N 3.39Å; F51-Y55 WeakPolarHBondContact O-CB 3.42Å; F51-Y55 PolarHBondContact O-N 3.5Å; F51-F63 AromaticContact CD2-CE1 3.76Å; F51-F63 HydrophobicContact CD2-CE1 3.76Å; F51-F63 AromaticContact CD2-CZ 3.6Å; F51-F63 HydrophobicContact CD2-CZ 3.6Å; F51-F63 HydrophobicContact CE2-CE1 4.13Å; F51-F63 HydrophobicContact CE2-CE2 4.22Å; F51-F63 AromaticContact CE2-CZ 3.73Å; F51-F63 HydrophobicContact CE2-CZ 3.73Å; F51-F63 HydrophobicContact CG-CZ 4.17Å; F51-F63 HydrophobicContact CZ-CZ 4.39Å
52L93.1Very high88.9Confident105 Ų10576.5 Ų76.555%0.5538%0.384SS..Hα-helixtrans-61.3-47.6-177.7-72.7169.3000111.3T48 D49 T54 Y55 T56T48-L52 WeakPolarHBondContact O-CB 3.27Å; T48-L52 WeakPolarHBondContact O-CG 3.46Å; T48-L52 PolarHBondContact O-N 3.48Å; D49-L52 PolarHBondContact O-N 3.29Å; L52-T54 PolarHBondContact O-N 2.91Å; L52-Y55 PolarHBondContact O-N 3.14Å; L52-T56 WeakPolarHBondContact O-CG2 3.36Å; L52-T56 PolarHBondContact O-N 3.14Å; L52-T56 PolarHBondContact O-OG1 2.89Å; L52-T56 VanDerWaalsContact O-OG1 3.07Å
53K91.8Very high89.1Confident60 Ų6069.3 Ų69.326%0.26135%0.345SS..Hα-helixtrans-60.8-43.5176.7-76.5172.5174.3162.50112.4L43 Y44 D49 F51 Y55 T56 Q57L43-K53 PolarHBondContact O-NZ 3.4Å; Y44-K53 HydrophobicContact CD1-CD 3.94Å; Y44-K53 HydrophobicContact CE1-CB 3.97Å; Y44-K53 HydrophobicContact CE1-CD 3.9Å; D49-K53 VanDerWaalsContact CG-NZ 3.35Å; D49-K53 WeakPolarHBondContact O-CB 3.13Å; D49-K53 WeakPolarHBondContact O-CG 3.38Å; D49-K53 PolarHBondContact O-N 3.01Å; D49-K53 WeakPolarHBondContact OD1-CE 3.29Å; D49-K53 IonicContact OD1-NZ 2.62Å; D49-K53 PolarHBondContact OD1-NZ 3.43Å; D49-K53 VanDerWaalsContact OD1-NZ 3.14Å; D49-K53 IonicContact OD2-NZ 3.82Å; D49-K53 PolarHBondContact OD2-NZ 3Å; F51-K53 PolarHBondContact O-N 3.35Å; K53-Y55 VanDerWaalsContact C-N 3.33Å; K53-Y55 PolarHBondContact O-N 2.92Å; K53-T56 PolarHBondContact O-N 3.48Å; K53-T56 PolarHBondContact O-OG1 3.48Å; K53-T56 VanDerWaalsContact O-OG1 3.14Å; K53-Q57 WeakPolarHBondContact O-CB 3.16Å; K53-Q57 WeakPolarHBondContact O-CG 3.11Å; K53-Q57 PolarHBondContact O-N 2.86Å; K53-Q57 PolarHBondContact O-OE1 3.37Å
54T90.2Very high89.3Confident0 Ų071.2 Ų71.20%035%0.348CS..Hα-helixtrans-63.8-42.6178.3-63.20000111.1K36 C50 F51 L52 V58 G59 F63K36-T54 PolarHBondContact NZ-OG1 2.62Å; K36-T54 VanDerWaalsContact NZ-OG1 3.15Å; C50-T54 VanDerWaalsContact O-CB 3.24Å; C50-T54 WeakPolarHBondContact O-CB 3.5Å; C50-T54 PolarHBondContact O-N 3.4Å; C50-T54 PolarHBondContact O-OG1 3.45Å; F51-T54 PolarHBondContact O-N 3.39Å; L52-T54 PolarHBondContact O-N 2.91Å; T54-V58 PolarHBondContact O-N 3.36Å; T54-G59 PolarHBondContact O-N 3.06Å; T54-F63 HydrophobicContact CG2-CD1 4.04Å; T54-F63 HydrophobicContact CG2-CD2 4.44Å; T54-F63 HydrophobicContact CG2-CE1 3.68Å; T54-F63 HydrophobicContact CG2-CE2 4.12Å; T54-F63 HydrophobicContact CG2-CG 4.41Å; T54-F63 HydrophobicContact CG2-CZ 3.74Å
55Y92.3Very high89.2Confident119 Ų11973.1 Ų73.147%0.46736%0.357SS..Hα-helixtrans-64.8-42.8178.2-175.9-97.1000112F51 L52 K53 G59 L60 F63F51-Y55 WeakPolarHBondContact O-CB 3.42Å; F51-Y55 PolarHBondContact O-N 3.5Å; L52-Y55 PolarHBondContact O-N 3.14Å; K53-Y55 VanDerWaalsContact C-N 3.33Å; K53-Y55 PolarHBondContact O-N 2.92Å; Y55-G59 WeakPolarHBondContact O-CA 3.15Å; Y55-G59 PolarHBondContact O-N 2.97Å; Y55-L60 HydrophobicContact CD2-CD2 4.03Å; Y55-L60 HydrophobicContact CD2-CG 4.41Å; Y55-L60 HydrophobicContact CE2-CD2 3.78Å; Y55-L60 HydrophobicContact CE2-CG 3.91Å; Y55-F63 HydrophobicContact CD2-CE2 4.28Å
56T90.1Very high89.2Confident110 Ų11064.2 Ų64.268%0.67532%0.321SS*.Hα-helixtrans-73.4-33.1179.955.50000113.2L52 K53L52-T56 WeakPolarHBondContact O-CG2 3.36Å; L52-T56 PolarHBondContact O-N 3.14Å; L52-T56 PolarHBondContact O-OG1 2.89Å; L52-T56 VanDerWaalsContact O-OG1 3.07Å; K53-T56 PolarHBondContact O-N 3.48Å; K53-T56 PolarHBondContact O-OG1 3.48Å; K53-T56 VanDerWaalsContact O-OG1 3.14Å
57Q87.4Confident89.3Confident81 Ų8164.3 Ų64.338%0.37932%0.317SS..Hα-helixtrans-82.6-41.4-176.6-71.2172.2-17.700113.8K53 Y138K53-Q57 WeakPolarHBondContact O-CB 3.16Å; K53-Q57 WeakPolarHBondContact O-CG 3.11Å; K53-Q57 PolarHBondContact O-N 2.86Å; K53-Q57 PolarHBondContact O-OE1 3.37Å; Q57-Y138 HydrophobicContact CB-CE1 3.85Å; Q57-Y138 HydrophobicContact CG-CE1 4.33Å
58V85.4Confident89.2Confident55 Ų5564 Ų6433%0.33332%0.324SS..Hα-helixtrans-124.7-15.5-171.4-169.60000112.2T54 Y138T54-V58 PolarHBondContact O-N 3.36Å; V58-Y138 HydrophobicContact CG2-CD1 3.83Å; V58-Y138 HydrophobicContact CG2-CD2 3.93Å; V58-Y138 HydrophobicContact CG2-CE1 3.94Å; V58-Y138 HydrophobicContact CG2-CE2 4.02Å; V58-Y138 HydrophobicContact CG2-CG 3.82Å
59G89Confident89.1Confident22 Ų2259.1 Ų59.123%0.22729%0.294CS..  trans74.2-166.8-174.100000113.2T54 Y55 R61 G62T54-G59 PolarHBondContact O-N 3.06Å; Y55-G59 WeakPolarHBondContact O-CA 3.15Å; Y55-G59 PolarHBondContact O-N 2.97Å; G59-R61 PolarHBondContact O-N 3.37Å; G59-G62 PolarHBondContact O-N 3.33Å
60L88.5Confident88.9Confident110 Ų11057.4 Ų57.458%0.57629%0.286SS*.Hα-helixtrans-58.5-31.9-178.1-70.2175.7000113.3Y55 G62 F63 Y64Y55-L60 HydrophobicContact CD2-CD2 4.03Å; Y55-L60 HydrophobicContact CD2-CG 4.41Å; Y55-L60 HydrophobicContact CE2-CD2 3.78Å; Y55-L60 HydrophobicContact CE2-CG 3.91Å; L60-G62 PolarHBondContact O-N 3.37Å; L60-F63 PolarHBondContact O-N 3.32Å; L60-Y64 WeakPolarHBondContact O-CD2 3.33Å
61R86.4Confident88.8Confident223 Ų22359.8 Ų59.884%0.84230%0.298SS*.Hα-helixtrans-62.2-26.1178-68.2-178.1175.9178.4-0.9112.8G59 F63 Y64 K65G59-R61 PolarHBondContact O-N 3.37Å; R61-F63 VanDerWaalsContact C-N 3.3Å; R61-F63 PolarHBondContact O-N 3.08Å; R61-Y64 PolarHBondContact O-N 3.49Å; R61-K65 PolarHBondContact O-N 3.01Å
62G85Confident88.6Confident4 Ų460.4 Ų60.44%0.04130%0.304CS..Hα-helixtrans-61.9-37.3177.300000112.8G59 L60G59-G62 PolarHBondContact O-N 3.33Å; L60-G62 PolarHBondContact O-N 3.37Å
63F89.4Confident88.4Confident4 Ų455.7 Ų55.72%0.01828%0.28CS..Hα-helixtrans-71.9-31.5-178.9-64.2-71.8000113.3Q28 P29 T32 I33 F51 T54 Y55 L60 R61Q28-F63 WeakPolarHBondContact CG-O 3.46Å; P29-F63 HydrophobicContact CB-CB 4.02Å; P29-F63 HydrophobicContact CB-CD1 4.21Å; P29-F63 HydrophobicContact CB-CG 4.3Å; P29-F63 HydrophobicContact CG-CB 4.28Å; T32-F63 PolarHBondContact OG1-O 3.19Å; I33-F63 HydrophobicContact CD1-CD1 4.34Å; I33-F63 HydrophobicContact CD1-CE1 3.92Å; I33-F63 HydrophobicContact CG1-CD1 4.26Å; I33-F63 HydrophobicContact CG1-CE1 3.93Å; F51-F63 AromaticContact CD2-CE1 3.76Å; F51-F63 HydrophobicContact CD2-CE1 3.76Å; F51-F63 AromaticContact CD2-CZ 3.6Å; F51-F63 HydrophobicContact CD2-CZ 3.6Å; F51-F63 HydrophobicContact CE2-CE1 4.13Å; F51-F63 HydrophobicContact CE2-CE2 4.22Å; F51-F63 AromaticContact CE2-CZ 3.73Å; F51-F63 HydrophobicContact CE2-CZ 3.73Å; F51-F63 HydrophobicContact CG-CZ 4.17Å; F51-F63 HydrophobicContact CZ-CZ 4.39Å; T54-F63 HydrophobicContact CG2-CD1 4.04Å; T54-F63 HydrophobicContact CG2-CD2 4.44Å; T54-F63 HydrophobicContact CG2-CE1 3.68Å; T54-F63 HydrophobicContact CG2-CE2 4.12Å; T54-F63 HydrophobicContact CG2-CG 4.41Å; T54-F63 HydrophobicContact CG2-CZ 3.74Å; Y55-F63 HydrophobicContact CD2-CE2 4.28Å; L60-F63 PolarHBondContact O-N 3.32Å; R61-F63 VanDerWaalsContact C-N 3.3Å; R61-F63 PolarHBondContact O-N 3.08Å
64Y89.9Confident88.1Confident106 Ų10656.5 Ų56.542%0.41628%0.282SS..THydrogen-bonded Turntrans-95.57.8-178.6-67.3-85000113.3L25 Q28 P29 L60 R61 G66 T67L25-Y64 HydrophobicContact CD2-CE1 4.45Å; L25-Y64 VanDerWaalsContact O-CE1 3.27Å; L25-Y64 WeakPolarHBondContact O-CE1 3.33Å; Q28-Y64 HydrophobicContact CB-CD1 4.43Å; Q28-Y64 HydrophobicContact CG-CD1 4.41Å; P29-Y64 HydrophobicContact CG-CE1 4.45Å; P29-Y64 HydrophobicContact CG-CE2 4.34Å; L60-Y64 WeakPolarHBondContact O-CD2 3.33Å; R61-Y64 PolarHBondContact O-N 3.49Å; Y64-G66 PolarHBondContact O-N 3.08Å; Y64-T67 PolarHBondContact O-N 3.15Å; Y64-T67 PolarHBondContact O-OG1 3.3Å
65K84.2Confident88Confident46 Ų4660.7 Ų60.720%0.231%0.308CS..THydrogen-bonded Turntrans-66.1125.1171.2-161.4172.2176.8-171.70108.3Q28 R61 L134 Q135 N151Q28-K65 PolarHBondContact NE2-O 3.05Å; Q28-K65 VanDerWaalsContact NE2-O 3.14Å; R61-K65 PolarHBondContact O-N 3.01Å; K65-L134 WeakPolarHBondContact CD-O 3.38Å; K65-L134 WeakPolarHBondContact CE-O 3.28Å; K65-L134 HydrophobicContact CG-CB 4.47Å; K65-L134 PolarHBondContact NZ-O 2.98Å; K65-Q135 VanDerWaalsContact O-CG 3.28Å; K65-Q135 WeakPolarHBondContact O-CG 3.41Å; K65-N151 VanDerWaalsContact NZ-CG 3.3Å; K65-N151 PolarHBondContact NZ-OD1 3.49Å
66G83.4Confident87.8Confident9 Ų956.4 Ų56.49%0.09330%0.297CS..THydrogen-bonded Turntrans92.92.6-176.300000115.9Y64 G68 P69 A70Y64-G66 PolarHBondContact O-N 3.08Å; G66-G68 VanDerWaalsContact C-N 3.32Å; G66-G68 PolarHBondContact O-N 3.27Å; G66-P69 WeakPolarHBondContact O-CD 3.34Å; G66-A70 WeakPolarHBondContact O-CB 3.12Å; G66-A70 PolarHBondContact O-N 3.03Å
67T88.9Confident87.6Confident20 Ų2053.9 Ų53.912%0.12328%0.277CS..Hα-helixtrans-57.3-41.1177.3-57.90000112.9L25 Y64 A70 L71L25-T67 HydrophobicContact CD2-CG2 3.7Å; Y64-T67 PolarHBondContact O-N 3.15Å; Y64-T67 PolarHBondContact O-OG1 3.3Å; T67-A70 WeakPolarHBondContact O-CB 3.08Å; T67-A70 PolarHBondContact O-N 3.05Å; T67-L71 HydrophobicContact CG2-CD1 4.04Å; T67-L71 HydrophobicContact CG2-CG 4.32Å; T67-L71 WeakPolarHBondContact O-CG 3.23Å; T67-L71 PolarHBondContact O-N 3.26Å
68G89.5Confident87.6Confident34 Ų3452 Ų5235%0.35127%0.27SS..Hα-helixtrans-58.3-57178.800000112.5G66 A70 L71 M72G66-G68 VanDerWaalsContact C-N 3.32Å; G66-G68 PolarHBondContact O-N 3.27Å; G68-A70 VanDerWaalsContact C-N 3.26Å; G68-A70 PolarHBondContact O-N 3.21Å; G68-L71 PolarHBondContact O-N 3.42Å; G68-M72 PolarHBondContact O-N 2.96Å
69P88.6Confident87.7Confident1 Ų152.8 Ų52.81%0.00628%0.278CS..Hα-helixtrans-56.3-35.7171.8-29.637.3000114G66 M72 A73 V130 K131 L134 I153G66-P69 WeakPolarHBondContact O-CD 3.34Å; P69-M72 HydrophobicContact CB-CE 4.46Å; P69-M72 HydrophobicContact CG-CE 4.38Å; P69-M72 PolarHBondContact O-N 2.91Å; P69-A73 WeakPolarHBondContact O-CB 3.28Å; P69-A73 PolarHBondContact O-N 3.29Å; P69-V130 HydrophobicContact CB-CG1 4.36Å; P69-V130 HydrophobicContact CG-CG1 3.95Å; P69-K131 HydrophobicContact CB-CB 4Å; P69-L134 HydrophobicContact CG-CD1 3.86Å; P69-I153 HydrophobicContact CG-CD1 4.12Å; P69-I153 HydrophobicContact CG-CG1 4.04Å; P69-I153 HydrophobicContact CG-CG2 4.35Å
70A87.9Confident87.7Confident6 Ų653.1 Ų53.15%0.0528%0.275CS..Hα-helixtrans-65-41.5176.100000113.1V24 G66 T67 G68 A73 Y74 K131V24-A70 HydrophobicContact CG1-CB 3.9Å; G66-A70 WeakPolarHBondContact O-CB 3.12Å; G66-A70 PolarHBondContact O-N 3.03Å; T67-A70 WeakPolarHBondContact O-CB 3.08Å; T67-A70 PolarHBondContact O-N 3.05Å; G68-A70 VanDerWaalsContact C-N 3.26Å; G68-A70 PolarHBondContact O-N 3.21Å; A70-A73 WeakPolarHBondContact O-CB 3.45Å; A70-A73 PolarHBondContact O-N 3Å; A70-Y74 WeakPolarHBondContact O-CB 3.48Å; A70-Y74 PolarHBondContact O-N 3.02Å; A70-K131 HydrophobicContact CB-CD 3.71Å; A70-K131 HydrophobicContact CB-CG 4.34Å
71L90.5Very high87.6Confident50 Ų5049.6 Ų49.626%0.26226%0.257SS..Hα-helixtrans-66.4-44.4175-72.4169.1000111.1T21 V24 T67 G68 A73 Y74 V75T21-L71 HydrophobicContact CG2-CD2 4.31Å; V24-L71 HydrophobicContact CB-CD2 3.66Å; V24-L71 HydrophobicContact CB-CG 4.41Å; V24-L71 HydrophobicContact CG1-CD2 3.74Å; V24-L71 HydrophobicContact CG1-CG 3.92Å; V24-L71 HydrophobicContact CG2-CD2 3.98Å; T67-L71 HydrophobicContact CG2-CD1 4.04Å; T67-L71 HydrophobicContact CG2-CG 4.32Å; T67-L71 WeakPolarHBondContact O-CG 3.23Å; T67-L71 PolarHBondContact O-N 3.26Å; G68-L71 PolarHBondContact O-N 3.42Å; L71-A73 VanDerWaalsContact C-N 3.32Å; L71-A73 PolarHBondContact O-N 3.18Å; L71-Y74 PolarHBondContact O-N 3.47Å; L71-V75 WeakPolarHBondContact O-CG2 3.47Å; L71-V75 PolarHBondContact O-N 3Å
72M89.6Confident87.6Confident103 Ų10346.3 Ų46.351%0.50725%0.249SC..Hα-helixtrans-61.6-42175.9-70.5-171.3-65.200111.9G68 P69 V75 A76 T127G68-M72 PolarHBondContact O-N 2.96Å; P69-M72 HydrophobicContact CB-CE 4.46Å; P69-M72 HydrophobicContact CG-CE 4.38Å; P69-M72 PolarHBondContact O-N 2.91Å; M72-V75 PolarHBondContact O-N 3.34Å; M72-A76 VanDerWaalsContact O-CB 3.23Å; M72-A76 WeakPolarHBondContact O-CB 3.49Å; M72-A76 PolarHBondContact O-N 3.36Å; M72-T127 HydrophobicContact CB-CG2 4.24Å
73A87.5Confident87.7Confident7 Ų752.8 Ų52.86%0.05828%0.28CS..Hα-helixtrans-56.4-50.9174.200000111.1P69 A70 L71 V75 A76 E77 L124 T127P69-A73 WeakPolarHBondContact O-CB 3.28Å; P69-A73 PolarHBondContact O-N 3.29Å; A70-A73 WeakPolarHBondContact O-CB 3.45Å; A70-A73 PolarHBondContact O-N 3Å; L71-A73 VanDerWaalsContact C-N 3.32Å; L71-A73 PolarHBondContact O-N 3.18Å; A73-V75 PolarHBondContact O-N 3.13Å; A73-A76 PolarHBondContact O-N 3.22Å; A73-E77 WeakPolarHBondContact O-CB 3.28Å; A73-E77 PolarHBondContact O-N 2.99Å; A73-L124 HydrophobicContact CB-CD1 3.7Å; A73-T127 VanDerWaalsContact CA-OG1 3.27Å; A73-T127 WeakPolarHBondContact CA-OG1 3.37Å; A73-T127 VanDerWaalsContact CB-OG1 3.23Å; A73-T127 WeakPolarHBondContact CB-OG1 3.47Å
74Y86.7Confident87.7Confident76 Ų7653.4 Ų53.430%0.29828%0.284SS..Hα-helixtrans-59.4-45.3179.4-177.9-95.5000112.5V24 A70 L71 N78V24-Y74 HydrophobicContact CG2-CD2 4.47Å; V24-Y74 HydrophobicContact CG2-CG 4.24Å; A70-Y74 WeakPolarHBondContact O-CB 3.48Å; A70-Y74 PolarHBondContact O-N 3.02Å; L71-Y74 PolarHBondContact O-N 3.47Å; Y74-N78 WeakPolarHBondContact CE2-ND2 3.48Å; Y74-N78 WeakPolarHBondContact O-CB 3.45Å; Y74-N78 PolarHBondContact O-N 3.17Å; Y74-N78 VanDerWaalsContact O-N 3.17Å; Y74-N78 PolarHBondContact O-ND2 3.45Å
75V88.2Confident87.5Confident89 Ų8951.7 Ų51.754%0.53928%0.277SS..Hα-helixtrans-65.4-48.7178176.30000110.7L71 M72 A73 E77 N78 S79L71-V75 WeakPolarHBondContact O-CG2 3.47Å; L71-V75 PolarHBondContact O-N 3Å; M72-V75 PolarHBondContact O-N 3.34Å; A73-V75 PolarHBondContact O-N 3.13Å; V75-E77 PolarHBondContact O-N 3.43Å; V75-N78 PolarHBondContact O-N 2.94Å; V75-S79 WeakPolarHBondContact O-CB 3.24Å; V75-S79 PolarHBondContact O-N 2.94Å; V75-S79 PolarHBondContact O-OG 2.83Å
76A88.1Confident87.6Confident29 Ų2951.1 Ų51.124%0.2429%0.285CS..Hα-helixtrans-61.7-44.3-178.200000112.2M72 A73 S79 V80 A123M72-A76 VanDerWaalsContact O-CB 3.23Å; M72-A76 WeakPolarHBondContact O-CB 3.49Å; M72-A76 PolarHBondContact O-N 3.36Å; A73-A76 PolarHBondContact O-N 3.22Å; A76-S79 PolarHBondContact O-N 3.42Å; A76-V80 WeakPolarHBondContact O-CB 3.43Å; A76-V80 WeakPolarHBondContact O-CG2 3.24Å; A76-V80 PolarHBondContact O-N 3.49Å; A76-A123 HydrophobicContact CB-CB 4.33Å
77E86.4Confident87.8Confident56 Ų5656.8 Ų56.826%0.26231%0.307SS..Hα-helixtrans-58.5-54177.4-176.9-174.9175.100111A73 V75 S79 V80 L81 A120A73-E77 WeakPolarHBondContact O-CB 3.28Å; A73-E77 PolarHBondContact O-N 2.99Å; V75-E77 PolarHBondContact O-N 3.43Å; E77-S79 PolarHBondContact O-N 3.05Å; E77-V80 PolarHBondContact O-N 3.37Å; E77-L81 VanDerWaalsContact O-CB 3.23Å; E77-L81 WeakPolarHBondContact O-CB 3.49Å; E77-L81 PolarHBondContact O-N 3.39Å; E77-A120 HydrophobicContact CG-CB 4.19Å
78N86.1Confident87.7Confident42 Ų4256 Ų5623%0.22530%0.302CS..Hα-helixtrans-64.6-41.8-179-77.5-75.4000111.9Y74 V75 V80 L81 F82Y74-N78 WeakPolarHBondContact CE2-ND2 3.48Å; Y74-N78 WeakPolarHBondContact O-CB 3.45Å; Y74-N78 PolarHBondContact O-N 3.17Å; Y74-N78 VanDerWaalsContact O-N 3.17Å; Y74-N78 PolarHBondContact O-ND2 3.45Å; V75-N78 PolarHBondContact O-N 2.94Å; N78-V80 PolarHBondContact O-N 3.31Å; N78-L81 PolarHBondContact O-N 2.96Å; N78-F82 HydrophobicContact CB-CE2 4.46Å; N78-F82 WeakPolarHBondContact O-CD2 3.26Å; N78-F82 PolarHBondContact O-N 2.97Å
79S87.9Confident87.6Confident71 Ų7156.2 Ų56.250%0.49729%0.294SS..Hα-helixtrans-60.1-47.4177.6-66.50000112.1V75 A76 E77 M83V75-S79 WeakPolarHBondContact O-CB 3.24Å; V75-S79 PolarHBondContact O-N 2.94Å; V75-S79 PolarHBondContact O-OG 2.83Å; A76-S79 PolarHBondContact O-N 3.42Å; E77-S79 PolarHBondContact O-N 3.05Å; S79-M83 VanDerWaalsContact O-CB 3.3Å; S79-M83 WeakPolarHBondContact O-CB 3.49Å; S79-M83 PolarHBondContact O-N 3.4Å
80V88.9Confident87.5Confident30 Ų3062.5 Ų62.518%0.18232%0.323CS..Hα-helixtrans-70.4-39.5179.9174.90000111.2A76 E77 N78 F82 M83 C84 F119 A120 A123A76-V80 WeakPolarHBondContact O-CB 3.43Å; A76-V80 WeakPolarHBondContact O-CG2 3.24Å; A76-V80 PolarHBondContact O-N 3.49Å; E77-V80 PolarHBondContact O-N 3.37Å; N78-V80 PolarHBondContact O-N 3.31Å; V80-F82 PolarHBondContact O-N 3.38Å; V80-M83 PolarHBondContact O-N 2.92Å; V80-C84 WeakPolarHBondContact O-CB 2.9Å; V80-C84 PolarHBondContact O-N 3.49Å; V80-C84 PolarHBondContact O-SG 2.93Å; V80-F119 HydrophobicContact CG1-CB 3.91Å; V80-A120 HydrophobicContact CG1-CB 4.45Å; V80-A123 HydrophobicContact CB-CB 4.38Å; V80-A123 HydrophobicContact CG2-CB 3.7Å
81L87.1Confident87.5Confident35 Ų3566.9 Ų66.918%0.18334%0.342CS..Hα-helixtrans-55.9-54.8175.5-173.673.2000110.4E77 N78 M83 C84 Y85 A116 A120E77-L81 VanDerWaalsContact O-CB 3.23Å; E77-L81 WeakPolarHBondContact O-CB 3.49Å; E77-L81 PolarHBondContact O-N 3.39Å; N78-L81 PolarHBondContact O-N 2.96Å; L81-M83 PolarHBondContact O-N 3.28Å; L81-C84 PolarHBondContact O-N 3.29Å; L81-Y85 WeakPolarHBondContact O-CA 3.43Å; L81-Y85 WeakPolarHBondContact O-CB 3.3Å; L81-Y85 PolarHBondContact O-N 3.4Å; L81-A116 HydrophobicContact CD1-CB 3.85Å; L81-A120 HydrophobicContact CB-CB 4.36Å
82F85.4Confident87.3Confident154 Ų15465.1 Ų65.168%0.67533%0.333SS*.Hα-helixtrans-63.4-39-179.7-76-61.3000113.2N78 V80N78-F82 HydrophobicContact CB-CE2 4.46Å; N78-F82 WeakPolarHBondContact O-CD2 3.26Å; N78-F82 PolarHBondContact O-N 2.97Å; V80-F82 PolarHBondContact O-N 3.38Å
83M88.5Confident87.1Confident141 Ų14162.1 Ų62.170%0.69532%0.316SS*.Hα-helixtrans-62.8-46.1177.1-176.4-176.472.100111.8S79 V80 L81S79-M83 VanDerWaalsContact O-CB 3.3Å; S79-M83 WeakPolarHBondContact O-CB 3.49Å; S79-M83 PolarHBondContact O-N 3.4Å; V80-M83 PolarHBondContact O-N 2.92Å; L81-M83 PolarHBondContact O-N 3.28Å
84C88.2Confident87Confident16 Ų1670.1 Ų70.111%0.10835%0.349CS..Hα-helixtrans-83.9-19.9-175.7-67.90000113V80 L81 G86 F87 C88 A116 F119V80-C84 WeakPolarHBondContact O-CB 2.9Å; V80-C84 PolarHBondContact O-N 3.49Å; V80-C84 PolarHBondContact O-SG 2.93Å; L81-C84 PolarHBondContact O-N 3.29Å; C84-G86 PolarHBondContact O-N 2.94Å; C84-F87 PolarHBondContact O-N 3.44Å; C84-C88 PolarHBondContact O-N 2.91Å; C84-C88 PolarHBondContact O-SG 3.41Å; C84-A116 HydrophobicContact CB-CB 4.44Å; C84-F119 HydrophobicContact CB-CB 4.1Å; C84-F119 HydrophobicContact CB-CD2 4.06Å; C84-F119 HydrophobicContact CB-CG 4.23Å
85Y86.4Confident87Confident70 Ų7071.7 Ų71.728%0.27537%0.367SS..Hα-helixtrans-60.5-47.1-174.2-174-122.9000112.7L81 F87 C88 Q89 T109 A116L81-Y85 WeakPolarHBondContact O-CA 3.43Å; L81-Y85 WeakPolarHBondContact O-CB 3.3Å; L81-Y85 PolarHBondContact O-N 3.4Å; Y85-F87 VanDerWaalsContact C-N 3.32Å; Y85-F87 PolarHBondContact O-N 2.98Å; Y85-C88 PolarHBondContact O-N 2.85Å; Y85-Q89 HydrophobicContact CD2-CG 4.49Å; Y85-Q89 HydrophobicContact CE1-CG 4.33Å; Y85-Q89 HydrophobicContact CE2-CG 4.26Å; Y85-Q89 WeakPolarHBondContact O-CG 3.33Å; Y85-Q89 PolarHBondContact O-N 3.29Å; Y85-Q89 PolarHBondContact OH-NE2 3.33Å; Y85-T109 WeakPolarHBondContact OH-CG2 3.32Å; Y85-A116 HydrophobicContact CD2-CB 4.23Å
86G85.4Confident86.8Confident34 Ų3469.7 Ų69.735%0.35136%0.359SS..Hα-helixtrans-60.2-40.9178.200000112.8C84 Q89 Q90C84-G86 PolarHBondContact O-N 2.94Å; G86-Q89 PolarHBondContact O-N 3.18Å; G86-Q90 WeakPolarHBondContact O-CG 3.42Å; G86-Q90 PolarHBondContact O-N 3.13Å; G86-Q90 VanDerWaalsContact O-N 3.15Å
87F87.7Confident86.5Confident129 Ų12971.7 Ų71.757%0.56638%0.383SS*.Hα-helixtrans-64.1-46.5174.9173.9-97.3000111.8C84 Y85 Q89 Q90 F91C84-F87 PolarHBondContact O-N 3.44Å; Y85-F87 VanDerWaalsContact C-N 3.32Å; Y85-F87 PolarHBondContact O-N 2.98Å; F87-Q89 VanDerWaalsContact C-N 3.31Å; F87-Q89 PolarHBondContact O-N 3.21Å; F87-Q90 PolarHBondContact O-N 3.31Å; F87-Q90 VanDerWaalsContact O-N 3.15Å; F87-F91 PolarHBondContact O-N 3.21Å
88C88.1Confident86.3Confident3 Ų371.7 Ų71.72%0.0238%0.384CS..Hα-helixtrans-63.6-37.5179.3-64.60000111.8C84 Y85 F91 V92 A112 F115 A116C84-C88 PolarHBondContact O-N 2.91Å; C84-C88 PolarHBondContact O-SG 3.41Å; Y85-C88 PolarHBondContact O-N 2.85Å; C88-F91 PolarHBondContact O-N 3.5Å; C88-V92 WeakPolarHBondContact O-CG2 3.47Å; C88-V92 PolarHBondContact O-N 2.94Å; C88-A112 HydrophobicContact CB-CB 4.27Å; C88-A112 VanDerWaalsContact CB-O 3.23Å; C88-A112 WeakPolarHBondContact CB-O 3.42Å; C88-F115 HydrophobicContact CB-CB 4.1Å; C88-A116 HydrophobicContact CB-CB 4.3Å; C88-A116 PolarHBondContact SG-N 2.95Å
89Q86.7Confident85.9Confident39 Ų3976.2 Ų76.218%0.18241%0.407CS..Hα-helixtrans-62.5-42.3173.6-73.3-172-17.100112.2Y85 G86 F87 F91 V92 R93 L104 A112Y85-Q89 HydrophobicContact CD2-CG 4.49Å; Y85-Q89 HydrophobicContact CE1-CG 4.33Å; Y85-Q89 HydrophobicContact CE2-CG 4.26Å; Y85-Q89 WeakPolarHBondContact O-CG 3.33Å; Y85-Q89 PolarHBondContact O-N 3.29Å; Y85-Q89 PolarHBondContact OH-NE2 3.33Å; G86-Q89 PolarHBondContact O-N 3.18Å; F87-Q89 VanDerWaalsContact C-N 3.31Å; F87-Q89 PolarHBondContact O-N 3.21Å; Q89-F91 VanDerWaalsContact C-N 3.34Å; Q89-V92 PolarHBondContact O-N 3.41Å; Q89-R93 WeakPolarHBondContact O-CG 3.22Å; Q89-R93 PolarHBondContact O-N 3.25Å; Q89-R93 PolarHBondContact O-NH1 2.96Å; Q89-L104 HydrophobicContact CB-CD1 3.82Å; Q89-L104 HydrophobicContact CG-CD1 3.8Å; Q89-A112 HydrophobicContact CB-CB 4.36Å; Q89-A112 HydrophobicContact CG-CB 3.84Å
90Q86.5Confident85.1Confident132 Ų13282.1 Ų82.162%0.61742%0.424SS*.Hα-helixtrans-64.3-40.2175.8-70.8-178.15.100111.9G86 F87 R93 K94G86-Q90 WeakPolarHBondContact O-CG 3.42Å; G86-Q90 PolarHBondContact O-N 3.13Å; G86-Q90 VanDerWaalsContact O-N 3.15Å; F87-Q90 PolarHBondContact O-N 3.31Å; F87-Q90 VanDerWaalsContact O-N 3.15Å; Q90-R93 PolarHBondContact O-N 2.98Å; Q90-K94 PolarHBondContact O-N 3.5Å
91F87.9Confident84.3Confident99 Ų9989.7 Ų89.743%0.43446%0.458SS..Hα-helixtrans-60.5-48.8175.7-179.7-100.8000111.7F87 C88 Q89 R93 K94 V95F87-F91 PolarHBondContact O-N 3.21Å; C88-F91 PolarHBondContact O-N 3.5Å; Q89-F91 VanDerWaalsContact C-N 3.34Å; F91-R93 PolarHBondContact O-N 2.71Å; F91-K94 WeakPolarHBondContact O-CB 3.46Å; F91-K94 PolarHBondContact O-N 3.19Å; F91-V95 HydrophobicContact CD1-CG2 4.33Å; F91-V95 HydrophobicContact CE1-CG2 3.91Å; F91-V95 HydrophobicContact CE2-CG2 4.2Å; F91-V95 HydrophobicContact CZ-CG2 3.84Å; F91-V95 WeakPolarHBondContact O-CG2 3.5Å; F91-V95 PolarHBondContact O-N 2.77Å
92V85.6Confident83.8Confident12 Ų1289.4 Ų89.47%0.07346%0.46CS..Hα-helixtrans-61.7-42.1178.1173.60000111.7C88 Q89 K94 V95 A96 L104 Q108 T111 A112 F115C88-V92 WeakPolarHBondContact O-CG2 3.47Å; C88-V92 PolarHBondContact O-N 2.94Å; Q89-V92 PolarHBondContact O-N 3.41Å; V92-K94 VanDerWaalsContact C-N 3.31Å; V92-K94 PolarHBondContact O-N 3.41Å; V92-V95 PolarHBondContact O-N 3.13Å; V92-A96 VanDerWaalsContact O-CB 3.3Å; V92-A96 WeakPolarHBondContact O-CB 3.48Å; V92-A96 PolarHBondContact O-N 2.97Å; V92-L104 HydrophobicContact CB-CD2 4.36Å; V92-L104 HydrophobicContact CG1-CD2 3.84Å; V92-Q108 HydrophobicContact CG1-CB 3.81Å; V92-Q108 HydrophobicContact CG1-CG 4.33Å; V92-T111 HydrophobicContact CG2-CG2 4.1Å; V92-A112 HydrophobicContact CB-CB 4.44Å; V92-A112 HydrophobicContact CG2-CB 3.93Å; V92-F115 HydrophobicContact CG2-CD2 4.2Å; V92-F115 HydrophobicContact CG2-CE2 4.47Å
93R84.8Confident83.4Confident41 Ų4191.5 Ų91.516%0.15547%0.469CS..Hα-helixtrans-58.2-43.4175-72.1-179.1-168.2100.1-0.2111.9Q89 Q90 F91 A96 G97 M98 A102 L104Q89-R93 WeakPolarHBondContact O-CG 3.22Å; Q89-R93 PolarHBondContact O-N 3.25Å; Q89-R93 PolarHBondContact O-NH1 2.96Å; Q90-R93 PolarHBondContact O-N 2.98Å; F91-R93 PolarHBondContact O-N 2.71Å; R93-A96 PolarHBondContact O-N 3.47Å; R93-G97 PolarHBondContact O-N 3.31Å; R93-M98 HydrophobicContact CB-CB 4.5Å; R93-M98 PolarHBondContact O-N 3.29Å; R93-A102 PolarHBondContact NE-O 3.06Å; R93-L104 HydrophobicContact CG-CD1 4.38Å; R93-L104 HydrophobicContact CG-CD2 3.83Å; R93-L104 HydrophobicContact CG-CG 4.06Å
94K87.2Confident82.8Confident175 Ų17585.8 Ų85.876%0.76144%0.441SS*.Hα-helixtrans-64.9-43.8179.3-171.9-179.9179.3-177.10111.9Q90 F91 V92 A96 G97Q90-K94 PolarHBondContact O-N 3.5Å; F91-K94 WeakPolarHBondContact O-CB 3.46Å; F91-K94 PolarHBondContact O-N 3.19Å; V92-K94 VanDerWaalsContact C-N 3.31Å; V92-K94 PolarHBondContact O-N 3.41Å; K94-A96 VanDerWaalsContact C-N 3.33Å; K94-G97 PolarHBondContact O-N 3.03Å
95V86.3Confident82.3Confident109 Ų10988.2 Ų88.266%0.66146%0.459SS*.Hα-helixtrans-67.2-36178.2173.80000111.5F91 V92 G97F91-V95 HydrophobicContact CD1-CG2 4.33Å; F91-V95 HydrophobicContact CE1-CG2 3.91Å; F91-V95 HydrophobicContact CE2-CG2 4.2Å; F91-V95 HydrophobicContact CZ-CG2 3.84Å; F91-V95 WeakPolarHBondContact O-CG2 3.5Å; F91-V95 PolarHBondContact O-N 2.77Å; V92-V95 PolarHBondContact O-N 3.13Å; V95-G97 PolarHBondContact O-N 3Å
96A83.3Confident81.8Confident47 Ų4789 Ų8939%0.38847%0.467SS..THydrogen-bonded Turntrans-78017700000114.1V92 R93 K94 M98V92-A96 VanDerWaalsContact O-CB 3.3Å; V92-A96 WeakPolarHBondContact O-CB 3.48Å; V92-A96 PolarHBondContact O-N 2.97Å; R93-A96 PolarHBondContact O-N 3.47Å; K94-A96 VanDerWaalsContact C-N 3.33Å; A96-M98 HydrophobicContact CB-CG 3.83Å; A96-M98 HydrophobicContact CB-SD 3.82Å; A96-M98 PolarHBondContact O-N 2.9Å
97G82.9Confident81.3Confident71 Ų7192.5 Ų92.573%0.73248%0.477SS*.THydrogen-bonded Turntrans65.224.7-178.300000114.1R93 K94 V95R93-G97 PolarHBondContact O-N 3.31Å; K94-G97 PolarHBondContact O-N 3.03Å; V95-G97 PolarHBondContact O-N 3Å
98M81.3Confident80.9Confident56 Ų5688.4 Ų88.428%0.27646%0.46SS..  trans-92.6152.9-175.7-61.6173.578.900112.1R93 A96 A102 K103 Q108R93-M98 HydrophobicContact CB-CB 4.5Å; R93-M98 PolarHBondContact O-N 3.29Å; A96-M98 HydrophobicContact CB-CG 3.83Å; A96-M98 HydrophobicContact CB-SD 3.82Å; A96-M98 PolarHBondContact O-N 2.9Å; M98-A102 HydrophobicContact CB-CB 4.14Å; M98-A102 HydrophobicContact CE-CB 3.75Å; M98-K103 WeakPolarHBondContact CE-O 3.38Å; M98-Q108 VanDerWaalsContact SD-CD 3.56Å; M98-Q108 PolarHBondContact SD-NE2 3.44Å; M98-Q108 PolarHBondContact SD-OE1 3.31Å
99D78.6Confident80.6Confident136 Ų13690 Ų9073%0.72747%0.47SS*.  trans-58.3148169.9-82.8-46.6000112.2Q101 A102D99-Q101 PolarHBondContact O-N 3.18Å; D99-A102 HydrophobicContact CB-CB 4.36Å; D99-A102 WeakPolarHBondContact O-CB 3.35Å; D99-A102 PolarHBondContact O-N 2.76Å
100K70.1Confident80.1Confident196 Ų19688.4 Ų88.485%0.85246%0.463SS*.THydrogen-bonded Turntrans-57.9-22.8-175.7-71.5-176-179.7177.50114
101Q72.9Confident79.8Confident188 Ų18884.7 Ų84.788%0.87945%0.45SS*.THydrogen-bonded Turntrans-108.73.6178.8-62.2-152.72.800114.3D99 K103D99-Q101 PolarHBondContact O-N 3.18Å; Q101-K103 PolarHBondContact O-N 3.37Å
102A76.4Confident79.6Confident29 Ų2980 Ų8024%0.2443%0.429CS..PPolyproline II helixtrans-63.2136.3177.700000110.5R93 M98 D99 L104R93-A102 PolarHBondContact NE-O 3.06Å; M98-A102 HydrophobicContact CB-CB 4.14Å; M98-A102 HydrophobicContact CE-CB 3.75Å; D99-A102 HydrophobicContact CB-CB 4.36Å; D99-A102 WeakPolarHBondContact O-CB 3.35Å; D99-A102 PolarHBondContact O-N 2.76Å; A102-L104 PolarHBondContact O-N 3.42Å
103K77.1Confident79.5Confident199 Ų19979.9 Ų79.987%0.86543%0.43SS*.PPolyproline II helixtrans-63.3125.4171.2-79.7-175.1176.3-179.40108.2M98 Q101M98-K103 WeakPolarHBondContact CE-O 3.38Å; Q101-K103 PolarHBondContact O-N 3.37Å
104L74.9Confident79.4Confident21 Ų2178.7 Ų78.711%0.1143%0.428CS..PPolyproline II helixtrans-68.4137.9174.3-75.7150.3000108.7Q89 V92 R93 A102 Q108 T109Q89-L104 HydrophobicContact CB-CD1 3.82Å; Q89-L104 HydrophobicContact CG-CD1 3.8Å; V92-L104 HydrophobicContact CB-CD2 4.36Å; V92-L104 HydrophobicContact CG1-CD2 3.84Å; R93-L104 HydrophobicContact CG-CD1 4.38Å; R93-L104 HydrophobicContact CG-CD2 3.83Å; R93-L104 HydrophobicContact CG-CG 4.06Å; A102-L104 PolarHBondContact O-N 3.42Å; L104-Q108 HydrophobicContact CB-CB 4.13Å; L104-Q108 HydrophobicContact CD2-CB 3.44Å; L104-Q108 VanDerWaalsContact CD2-CB 3.44Å; L104-Q108 HydrophobicContact CD2-CG 4.42Å; L104-Q108 HydrophobicContact CG-CB 4.41Å; L104-T109 VanDerWaalsContact CB-OG1 3.26Å; L104-T109 WeakPolarHBondContact CB-OG1 3.3Å
105S79.2Confident79.2Confident67 Ų6774.9 Ų74.947%0.46941%0.412SS..PPolyproline II helixtrans-60.2156.2165.3170.70000110.1L107 Q108 T109S105-L107 PolarHBondContact O-N 3.17Å; S105-Q108 PolarHBondContact O-N 2.96Å; S105-T109 PolarHBondContact O-N 2.88Å; S105-T109 PolarHBondContact O-OG1 3.41Å; S105-T109 VanDerWaalsContact O-OG1 3.06Å
106D74Confident79.2Confident85 Ų8569.7 Ų69.746%0.45538%0.381SS..Hα-helixtrans-50.8-40.9176.1-63.9-28000111.9T109 A110 R195D106-T109 PolarHBondContact O-N 3.03Å; D106-A110 VanDerWaalsContact O-CB 3.28Å; D106-A110 WeakPolarHBondContact O-CB 3.26Å; D106-A110 PolarHBondContact O-N 2.78Å; D106-R195 IonicContact OD2-NH1 2.67Å
107L74.9Confident79.3Confident108 Ų10867.6 Ų67.657%0.56536%0.363SS*.Hα-helixtrans-68.5-35.6178-17563.5000113S105 A110 T111S105-L107 PolarHBondContact O-N 3.17Å; L107-A110 WeakPolarHBondContact O-CB 3.43Å; L107-T111 WeakPolarHBondContact O-CB 3.47Å; L107-T111 PolarHBondContact O-N 3.45Å; L107-T111 PolarHBondContact O-OG1 3.14Å
108Q81.1Confident79.5Confident43 Ų4365.5 Ų65.520%0.20134%0.339CS..Hα-helixtrans-75.2-36.5178.2-63.5173.4-35.300111.1V92 M98 L104 S105 T111 A112V92-Q108 HydrophobicContact CG1-CB 3.81Å; V92-Q108 HydrophobicContact CG1-CG 4.33Å; M98-Q108 VanDerWaalsContact SD-CD 3.56Å; M98-Q108 PolarHBondContact SD-NE2 3.44Å; M98-Q108 PolarHBondContact SD-OE1 3.31Å; L104-Q108 HydrophobicContact CB-CB 4.13Å; L104-Q108 HydrophobicContact CD2-CB 3.44Å; L104-Q108 VanDerWaalsContact CD2-CB 3.44Å; L104-Q108 HydrophobicContact CD2-CG 4.42Å; L104-Q108 HydrophobicContact CG-CB 4.41Å; S105-Q108 PolarHBondContact O-N 2.96Å; Q108-T111 PolarHBondContact O-N 2.9Å; Q108-A112 WeakPolarHBondContact O-CB 3.01Å; Q108-A112 PolarHBondContact O-N 3.1Å
109T80.6Confident79.8Confident37 Ų3767 Ų6723%0.22734%0.344CS..Hα-helixtrans-62.5-44.6172-57.80000110.6Y85 L104 S105 D106 T111 A112 G113Y85-T109 WeakPolarHBondContact OH-CG2 3.32Å; L104-T109 VanDerWaalsContact CB-OG1 3.26Å; L104-T109 WeakPolarHBondContact CB-OG1 3.3Å; S105-T109 PolarHBondContact O-N 2.88Å; S105-T109 PolarHBondContact O-OG1 3.41Å; S105-T109 VanDerWaalsContact O-OG1 3.06Å; D106-T109 PolarHBondContact O-N 3.03Å; T109-T111 PolarHBondContact O-N 3.03Å; T109-A112 PolarHBondContact O-N 3.03Å; T109-G113 PolarHBondContact O-N 3.28Å
110A77.2Confident80.3Confident5 Ų560.7 Ų60.74%0.04131%0.311CS..Hα-helixtrans-59-43.6172.500000112.8D106 L107 G113 S114 F188D106-A110 VanDerWaalsContact O-CB 3.28Å; D106-A110 WeakPolarHBondContact O-CB 3.26Å; D106-A110 PolarHBondContact O-N 2.78Å; L107-A110 WeakPolarHBondContact O-CB 3.43Å; A110-G113 PolarHBondContact O-N 3.04Å; A110-S114 PolarHBondContact O-N 3.43Å; A110-S114 PolarHBondContact O-OG 3.36Å; A110-F188 HydrophobicContact CB-CB 4.2Å; A110-F188 HydrophobicContact CB-CD1 4.12Å; A110-F188 HydrophobicContact CB-CD2 3.14Å; A110-F188 HydrophobicContact CB-CE1 4.28Å; A110-F188 HydrophobicContact CB-CE2 3.32Å; A110-F188 HydrophobicContact CB-CG 3.58Å; A110-F188 HydrophobicContact CB-CZ 3.91Å
111T79.7Confident81.1Confident54 Ų5451.4 Ų51.433%0.33127%0.27SS..Hα-helixtrans-63.8-44177.3-58.50000110.9V92 L107 Q108 T109 G113 S114 F115V92-T111 HydrophobicContact CG2-CG2 4.1Å; L107-T111 WeakPolarHBondContact O-CB 3.47Å; L107-T111 PolarHBondContact O-N 3.45Å; L107-T111 PolarHBondContact O-OG1 3.14Å; Q108-T111 PolarHBondContact O-N 2.9Å; T109-T111 PolarHBondContact O-N 3.03Å; T111-G113 VanDerWaalsContact C-N 3.33Å; T111-G113 PolarHBondContact O-N 2.91Å; T111-S114 PolarHBondContact O-N 3.48Å; T111-F115 HydrophobicContact CG2-CD2 3.88Å; T111-F115 HydrophobicContact CG2-CE2 3.54Å; T111-F115 WeakPolarHBondContact O-CD2 3.36Å; T111-F115 PolarHBondContact O-N 3.31Å
112A84.3Confident81.9Confident0 Ų046 Ų460%025%0.247CC..Hα-helixtrans-62.3-40.2174.700000112C88 Q89 V92 Q108 T109 F115 A116C88-A112 HydrophobicContact CB-CB 4.27Å; C88-A112 VanDerWaalsContact CB-O 3.23Å; C88-A112 WeakPolarHBondContact CB-O 3.42Å; Q89-A112 HydrophobicContact CB-CB 4.36Å; Q89-A112 HydrophobicContact CG-CB 3.84Å; V92-A112 HydrophobicContact CB-CB 4.44Å; V92-A112 HydrophobicContact CG2-CB 3.93Å; Q108-A112 WeakPolarHBondContact O-CB 3.01Å; Q108-A112 PolarHBondContact O-N 3.1Å; T109-A112 PolarHBondContact O-N 3.03Å; A112-F115 PolarHBondContact O-N 2.9Å; A112-A116 WeakPolarHBondContact O-CB 3.33Å; A112-A116 PolarHBondContact O-N 2.78Å
113G82.6Confident82.5Confident10 Ų1046 Ų4610%0.10325%0.247CC..Hα-helixtrans-61.7-41.1172.800000112.8T109 A110 T111 A116 S117T109-G113 PolarHBondContact O-N 3.28Å; A110-G113 PolarHBondContact O-N 3.04Å; T111-G113 VanDerWaalsContact C-N 3.33Å; T111-G113 PolarHBondContact O-N 2.91Å; G113-A116 PolarHBondContact O-N 3.22Å; G113-S117 PolarHBondContact O-N 3.12Å
114S82Confident83Confident16 Ų1637.1 Ų37.111%0.11221%0.209CC..Hα-helixtrans-67-37.1177.8-54.90000112.5A110 T111 S117 A118 Y184A110-S114 PolarHBondContact O-N 3.43Å; A110-S114 PolarHBondContact O-OG 3.36Å; T111-S114 PolarHBondContact O-N 3.48Å; S114-S117 WeakPolarHBondContact CA-OG 3.4Å; S114-S117 PolarHBondContact O-OG 3.32Å; S114-A118 PolarHBondContact O-N 3.13Å; S114-Y184 VanDerWaalsContact OG-CB 3.3Å; S114-Y184 WeakPolarHBondContact OG-CB 3.19Å
115F84.2Confident83.7Confident96 Ų9636.1 Ų36.142%0.42120%0.204SC..Hα-helixtrans-68.2-40.5171.3-77-63.7000111.6C88 V92 T111 A112 S117 A118 F119C88-F115 HydrophobicContact CB-CB 4.1Å; V92-F115 HydrophobicContact CG2-CD2 4.2Å; V92-F115 HydrophobicContact CG2-CE2 4.47Å; T111-F115 HydrophobicContact CG2-CD2 3.88Å; T111-F115 HydrophobicContact CG2-CE2 3.54Å; T111-F115 WeakPolarHBondContact O-CD2 3.36Å; T111-F115 PolarHBondContact O-N 3.31Å; A112-F115 PolarHBondContact O-N 2.9Å; F115-S117 VanDerWaalsContact C-N 3.33Å; F115-S117 PolarHBondContact O-N 3.32Å; F115-A118 WeakPolarHBondContact O-CB 2.83Å; F115-A118 PolarHBondContact O-N 3.5Å; F115-F119 WeakPolarHBondContact O-CD2 3.36Å
116A86.6Confident84.2Confident0 Ų034.5 Ų34.50%019%0.191CC..Hα-helixtrans-64.7-37176.900000112L81 C84 Y85 C88 A112 G113 A118 F119 A120L81-A116 HydrophobicContact CD1-CB 3.85Å; C84-A116 HydrophobicContact CB-CB 4.44Å; Y85-A116 HydrophobicContact CD2-CB 4.23Å; C88-A116 HydrophobicContact CB-CB 4.3Å; C88-A116 PolarHBondContact SG-N 2.95Å; A112-A116 WeakPolarHBondContact O-CB 3.33Å; A112-A116 PolarHBondContact O-N 2.78Å; G113-A116 PolarHBondContact O-N 3.22Å; A116-A118 VanDerWaalsContact C-N 3.29Å; A116-A118 PolarHBondContact O-N 3.21Å; A116-F119 WeakPolarHBondContact O-CB 3.27Å; A116-F119 PolarHBondContact O-N 3.31Å; A116-F119 VanDerWaalsContact O-N 3.14Å; A116-A120 PolarHBondContact O-N 2.91Å
117S84.3Confident85Confident2 Ų231.7 Ų31.71%0.01418%0.177CC..Hα-helixtrans-67.7-27.8177.368.70000112.6G113 S114 F115 F119 A120 A121G113-S117 PolarHBondContact O-N 3.12Å; S114-S117 WeakPolarHBondContact CA-OG 3.4Å; S114-S117 PolarHBondContact O-OG 3.32Å; F115-S117 VanDerWaalsContact C-N 3.33Å; F115-S117 PolarHBondContact O-N 3.32Å; S117-F119 VanDerWaalsContact C-N 3.3Å; S117-F119 PolarHBondContact O-N 3.01Å; S117-A120 PolarHBondContact O-N 3.14Å; S117-A121 WeakPolarHBondContact O-CB 3.39Å; S117-A121 PolarHBondContact O-N 2.96Å
118A86.9Confident85.6Confident27 Ų2728 Ų2822%0.22316%0.157CC..Hα-helixtrans-62.2-37.317100000112.4S114 F115 A116 L177S114-A118 PolarHBondContact O-N 3.13Å; F115-A118 WeakPolarHBondContact O-CB 2.83Å; F115-A118 PolarHBondContact O-N 3.5Å; A116-A118 VanDerWaalsContact C-N 3.29Å; A116-A118 PolarHBondContact O-N 3.21Å; A118-L177 HydrophobicContact CB-CD2 3.77Å
119F88.9Confident86Confident89 Ų8926 Ų2639%0.3915%0.148SC..Hα-helixtrans-71.2-42172.4-64.7-79.9000111.5V80 C84 F115 A116 S117 A121 L122V80-F119 HydrophobicContact CG1-CB 3.91Å; C84-F119 HydrophobicContact CB-CB 4.1Å; C84-F119 HydrophobicContact CB-CD2 4.06Å; C84-F119 HydrophobicContact CB-CG 4.23Å; F115-F119 WeakPolarHBondContact O-CD2 3.36Å; A116-F119 WeakPolarHBondContact O-CB 3.27Å; A116-F119 PolarHBondContact O-N 3.31Å; A116-F119 VanDerWaalsContact O-N 3.14Å; S117-F119 VanDerWaalsContact C-N 3.3Å; S117-F119 PolarHBondContact O-N 3.01Å; F119-A121 VanDerWaalsContact C-N 3.25Å; F119-A121 PolarHBondContact O-N 3.33Å; F119-L122 WeakPolarHBondContact O-CB 3.43Å; F119-L122 PolarHBondContact O-N 2.84Å; F119-L122 VanDerWaalsContact O-N 3.13Å
120A87.7Confident86.4Confident3 Ų324.6 Ų24.63%0.02514%0.139CC..Hα-helixtrans-59.8-37.5175.900000111.8E77 V80 L81 A116 S117 L122 A123 L124E77-A120 HydrophobicContact CG-CB 4.19Å; V80-A120 HydrophobicContact CG1-CB 4.45Å; L81-A120 HydrophobicContact CB-CB 4.36Å; A116-A120 PolarHBondContact O-N 2.91Å; S117-A120 PolarHBondContact O-N 3.14Å; A120-L122 PolarHBondContact O-N 3.24Å; A120-A123 PolarHBondContact O-N 3.28Å; A120-L124 WeakPolarHBondContact O-CB 3.36Å; A120-L124 PolarHBondContact O-N 2.91Å
121A87.9Confident87Confident1 Ų125.8 Ų25.81%0.00814%0.143CC..Hα-helixtrans-58.8-32.8176.200000113.1S117 F119 L124 C125 T176 L177S117-A121 WeakPolarHBondContact O-CB 3.39Å; S117-A121 PolarHBondContact O-N 2.96Å; F119-A121 VanDerWaalsContact C-N 3.25Å; F119-A121 PolarHBondContact O-N 3.33Å; A121-L124 PolarHBondContact O-N 2.85Å; A121-C125 VanDerWaalsContact O-CB 3.27Å; A121-C125 WeakPolarHBondContact O-CB 3.23Å; A121-C125 PolarHBondContact O-N 3.28Å; A121-T176 HydrophobicContact CB-CG2 3.7Å; A121-L177 HydrophobicContact CB-CD2 3.89Å
122L89.3Confident87.4Confident75 Ų7523.3 Ų23.339%0.39313%0.129SC..Hα-helixtrans-67.2-37.4176.1-65.6170.1000111.9F119 A120 P126 Y170 L173F119-L122 WeakPolarHBondContact O-CB 3.43Å; F119-L122 PolarHBondContact O-N 2.84Å; F119-L122 VanDerWaalsContact O-N 3.13Å; A120-L122 PolarHBondContact O-N 3.24Å; L122-P126 VanDerWaalsContact O-CD 3.29Å; L122-P126 WeakPolarHBondContact O-CD 3.48Å; L122-Y170 HydrophobicContact CD2-CE1 4.43Å; L122-Y170 WeakPolarHBondContact O-CE1 3.21Å; L122-L173 HydrophobicContact CD2-CD1 3.86Å; L122-L173 HydrophobicContact CD2-CD2 3.71Å; L122-L173 HydrophobicContact CD2-CG 4.43Å
123A88.9Confident87.6Confident28 Ų2823.8 Ų23.823%0.23113%0.13CC..Hα-helixtrans-80.1-30.9176.700000112.7A76 V80 A120 P126A76-A123 HydrophobicContact CB-CB 4.33Å; V80-A123 HydrophobicContact CB-CB 4.38Å; V80-A123 HydrophobicContact CG2-CB 3.7Å; A120-A123 PolarHBondContact O-N 3.28Å; A123-P126 WeakPolarHBondContact O-CD 3.2Å; A123-P126 WeakPolarHBondContact O-CG 3.18Å
124L87.9Confident87.7Confident13 Ų1323.5 Ų23.57%0.06813%0.126CC..Hα-helixtrans-73.6-43.7179.1178.863.7000112.5A73 A120 A121 T127 E128A73-L124 HydrophobicContact CB-CD1 3.7Å; A120-L124 WeakPolarHBondContact O-CB 3.36Å; A120-L124 PolarHBondContact O-N 2.91Å; A121-L124 PolarHBondContact O-N 2.85Å; L124-T127 PolarHBondContact O-N 3.39Å; L124-T127 VanDerWaalsContact O-N 3.12Å; L124-T127 PolarHBondContact O-OG1 2.95Å; L124-E128 HydrophobicContact CD1-CB 4.29Å; L124-E128 HydrophobicContact CG-CB 4.33Å; L124-E128 WeakPolarHBondContact O-CB 3.23Å; L124-E128 PolarHBondContact O-N 3.14Å
125C89.5Confident87.9Confident0 Ų022.9 Ų22.90%012%0.122CC..Hα-helixtrans-49.3-49.5-174-168.90000114.9A121 T127 L129 F169 Y170 L173A121-C125 VanDerWaalsContact O-CB 3.27Å; A121-C125 WeakPolarHBondContact O-CB 3.23Å; A121-C125 PolarHBondContact O-N 3.28Å; C125-T127 PolarHBondContact O-N 3.08Å; C125-L129 VanDerWaalsContact O-CB 3.25Å; C125-L129 WeakPolarHBondContact O-CB 3.19Å; C125-L129 PolarHBondContact O-N 3.21Å; C125-F169 PolarHBondContact SG-O 2.9Å; C125-Y170 HydrophobicContact CB-CD1 4.35Å; C125-L173 HydrophobicContact CB-CD1 4.25Å
126P90.3Very high87.9Confident32 Ų3218.3 Ų18.321%0.20810%0.102CC..Hα-helixtrans-63.1-41.1-179.922.9-34.6000113.2L122 A123 V130 F169L122-P126 VanDerWaalsContact O-CD 3.29Å; L122-P126 WeakPolarHBondContact O-CD 3.48Å; A123-P126 WeakPolarHBondContact O-CD 3.2Å; A123-P126 WeakPolarHBondContact O-CG 3.18Å; P126-V130 VanDerWaalsContact O-CG2 3.32Å; P126-V130 WeakPolarHBondContact O-CG2 3.44Å; P126-V130 PolarHBondContact O-N 3.44Å; P126-F169 HydrophobicContact CB-CB 3.99Å; P126-F169 HydrophobicContact CB-CD1 4.23Å; P126-F169 HydrophobicContact CB-CG 4.43Å
127T90.3Very high87.6Confident26 Ų2618.7 Ų18.716%0.1610%0.104CC..Hα-helixtrans-74.7-40-175.951.40000111.2M72 A73 L124 C125 V130 K131M72-T127 HydrophobicContact CB-CG2 4.24Å; A73-T127 VanDerWaalsContact CA-OG1 3.27Å; A73-T127 WeakPolarHBondContact CA-OG1 3.37Å; A73-T127 VanDerWaalsContact CB-OG1 3.23Å; A73-T127 WeakPolarHBondContact CB-OG1 3.47Å; L124-T127 PolarHBondContact O-N 3.39Å; L124-T127 VanDerWaalsContact O-N 3.12Å; L124-T127 PolarHBondContact O-OG1 2.95Å; C125-T127 PolarHBondContact O-N 3.08Å; T127-V130 PolarHBondContact O-N 3.42Å; T127-K131 PolarHBondContact O-N 2.55Å
128E87.3Confident87.4Confident31 Ų3121.6 Ų21.615%0.14512%0.115CC..Hα-helixtrans-66.9-42.6175.6-168.4179.8-172.900112.1L124 V130 K131 C132 K234L124-E128 HydrophobicContact CD1-CB 4.29Å; L124-E128 HydrophobicContact CG-CB 4.33Å; L124-E128 WeakPolarHBondContact O-CB 3.23Å; L124-E128 PolarHBondContact O-N 3.14Å; E128-V130 VanDerWaalsContact C-N 3.29Å; E128-V130 PolarHBondContact O-N 2.81Å; E128-K131 WeakPolarHBondContact O-CB 3.26Å; E128-K131 PolarHBondContact O-N 3Å; E128-K131 VanDerWaalsContact O-N 3.15Å; E128-C132 PolarHBondContact O-N 3.47Å; E128-C132 PolarHBondContact O-SG 2.91Å; E128-C132 VanDerWaalsContact O-SG 3.4Å; E128-K234 VanDerWaalsContact CD-CE 3.49Å; E128-K234 WeakPolarHBondContact OE1-CE 3.25Å; E128-K234 IonicContact OE1-NZ 2.79Å; E128-K234 PolarHBondContact OE1-NZ 3.35Å; E128-K234 WeakPolarHBondContact OE2-CE 3.32Å; E128-K234 IonicContact OE2-NZ 2.65Å; E128-K234 PolarHBondContact OE2-NZ 2.86Å
129L89.3Confident87.2Confident0 Ų020.4 Ų20.40%011%0.105CC..Hα-helixtrans-55.3-47174.3178.171.4000111C125 R133 I160 G168 H171 Q238C125-L129 VanDerWaalsContact O-CB 3.25Å; C125-L129 WeakPolarHBondContact O-CB 3.19Å; C125-L129 PolarHBondContact O-N 3.21Å; L129-R133 WeakPolarHBondContact O-CB 3.43Å; L129-R133 VanDerWaalsContact O-CG 3.29Å; L129-R133 WeakPolarHBondContact O-CG 3.15Å; L129-R133 PolarHBondContact O-N 3.28Å; L129-I160 HydrophobicContact CD2-CD1 4.06Å; L129-G168 VanDerWaalsContact CD2-O 3.25Å; L129-G168 WeakPolarHBondContact CD2-O 3.4Å; L129-H171 HydrophobicContact CD1-CB 4.42Å; L129-Q238 HydrophobicContact CD1-CB 3.61Å; L129-Q238 HydrophobicContact CD1-CG 3.75Å; L129-Q238 VanDerWaalsContact CD1-O 3.3Å; L129-Q238 WeakPolarHBondContact CD1-O 3.26Å
130V89.9Confident86.7Confident9 Ų916.2 Ų16.26%0.0559%0.086CC..Hα-helixtrans-65.3-41.4178.6174.20000111.2P69 P126 T127 E128 L134 I153 V156 V157 I160 F169P69-V130 HydrophobicContact CB-CG1 4.36Å; P69-V130 HydrophobicContact CG-CG1 3.95Å; P126-V130 VanDerWaalsContact O-CG2 3.32Å; P126-V130 WeakPolarHBondContact O-CG2 3.44Å; P126-V130 PolarHBondContact O-N 3.44Å; T127-V130 PolarHBondContact O-N 3.42Å; E128-V130 VanDerWaalsContact C-N 3.29Å; E128-V130 PolarHBondContact O-N 2.81Å; V130-L134 HydrophobicContact CG1-CD1 3.81Å; V130-L134 HydrophobicContact CG1-CG 4.47Å; V130-L134 WeakPolarHBondContact O-CB 3.47Å; V130-L134 WeakPolarHBondContact O-CD1 3.21Å; V130-L134 VanDerWaalsContact O-CG 3.29Å; V130-L134 WeakPolarHBondContact O-CG 2.98Å; V130-L134 PolarHBondContact O-N 3.05Å; V130-I153 HydrophobicContact CG1-CG2 4.1Å; V130-V156 HydrophobicContact CG1-CG1 4.25Å; V130-V156 HydrophobicContact CG2-CG1 4.47Å; V130-V157 HydrophobicContact CG2-CG2 4.1Å; V130-I160 HydrophobicContact CG2-CD1 4.02Å; V130-F169 HydrophobicContact CG2-CD1 4.46Å; V130-F169 HydrophobicContact CG2-CE1 4.15Å
131K89.8Confident86.5Confident29 Ų2917.6 Ų17.613%0.1269%0.092CC..Hα-helixtrans-56.5-55.5174.2-179.2-169.9175.1179.30111.2D31 P69 A70 T127 E128 R133 L134 Q135D31-K131 IonicContact OD2-NZ 4Å; D31-K131 PolarHBondContact OD2-NZ 2.7Å; P69-K131 HydrophobicContact CB-CB 4Å; A70-K131 HydrophobicContact CB-CD 3.71Å; A70-K131 HydrophobicContact CB-CG 4.34Å; T127-K131 PolarHBondContact O-N 2.55Å; E128-K131 WeakPolarHBondContact O-CB 3.26Å; E128-K131 PolarHBondContact O-N 3Å; E128-K131 VanDerWaalsContact O-N 3.15Å; K131-R133 PolarHBondContact O-N 3.38Å; K131-L134 PolarHBondContact O-N 3.41Å; K131-Q135 WeakPolarHBondContact O-CG 3.15Å; K131-Q135 PolarHBondContact O-N 3.34Å
132C86.6Confident85.9Confident3 Ų323.5 Ų23.52%0.0212%0.121CC..Hα-helixtrans-62.4-41.6-176.2-69.40000112.1V35 E128 Q135 T136 V239V35-C132 HydrophobicContact CG1-CB 4.32Å; E128-C132 PolarHBondContact O-N 3.47Å; E128-C132 PolarHBondContact O-SG 2.91Å; E128-C132 VanDerWaalsContact O-SG 3.4Å; C132-Q135 PolarHBondContact O-N 3.26Å; C132-T136 WeakPolarHBondContact O-CG2 3.2Å; C132-T136 PolarHBondContact O-N 2.95Å; C132-T136 PolarHBondContact O-OG1 3.43Å; C132-V239 HydrophobicContact CB-CG2 3.99Å
133R88.6Confident85.3Confident9 Ų922.8 Ų22.83%0.03412%0.122CC..Hα-helixtrans-60.3-50.9173.8-71.6-172.8174.2-163.95.6110.7L129 K131 Q135 T136 M137 V156 D164 Q238 S241 M242L129-R133 WeakPolarHBondContact O-CB 3.43Å; L129-R133 VanDerWaalsContact O-CG 3.29Å; L129-R133 WeakPolarHBondContact O-CG 3.15Å; L129-R133 PolarHBondContact O-N 3.28Å; K131-R133 PolarHBondContact O-N 3.38Å; R133-Q135 VanDerWaalsContact C-N 3.33Å; R133-Q135 PolarHBondContact O-N 2.91Å; R133-T136 PolarHBondContact O-N 3.47Å; R133-T136 VanDerWaalsContact O-N 3.14Å; R133-T136 PolarHBondContact O-OG1 3.32Å; R133-M137 WeakPolarHBondContact O-CG 3.43Å; R133-M137 PolarHBondContact O-N 3.01Å; R133-V156 HydrophobicContact CB-CG1 4.01Å; R133-D164 IonicContact NH2-OD2 3.37Å; R133-Q238 PolarHBondContact NE-O 2.99Å; R133-Q238 VanDerWaalsContact NE-O 3.12Å; R133-S241 PolarHBondContact NH2-OG 3.44Å; R133-M242 HydrophobicContact CB-CE 4.47Å; R133-M242 HydrophobicContact CB-SD 3.64Å; R133-M242 HydrophobicContact CG-CG 3.77Å; R133-M242 HydrophobicContact CG-SD 3.47Å; R133-M242 WeakPolarHBondContact CG-SD 3.36Å
134L86.5Confident84.5Confident4 Ų424.5 Ų24.52%0.02114%0.143CC..Hα-helixtrans-57.9-40.8179-76.9165.8000113.5K65 P69 V130 K131 T136 M137 I153 V156K65-L134 WeakPolarHBondContact CD-O 3.38Å; K65-L134 WeakPolarHBondContact CE-O 3.28Å; K65-L134 HydrophobicContact CG-CB 4.47Å; K65-L134 PolarHBondContact NZ-O 2.98Å; P69-L134 HydrophobicContact CG-CD1 3.86Å; V130-L134 HydrophobicContact CG1-CD1 3.81Å; V130-L134 HydrophobicContact CG1-CG 4.47Å; V130-L134 WeakPolarHBondContact O-CB 3.47Å; V130-L134 WeakPolarHBondContact O-CD1 3.21Å; V130-L134 VanDerWaalsContact O-CG 3.29Å; V130-L134 WeakPolarHBondContact O-CG 2.98Å; V130-L134 PolarHBondContact O-N 3.05Å; K131-L134 PolarHBondContact O-N 3.41Å; L134-T136 PolarHBondContact O-N 3.45Å; L134-M137 HydrophobicContact CD2-SD 3.84Å; L134-I153 HydrophobicContact CD1-CB 4.37Å; L134-I153 HydrophobicContact CD1-CG1 3.63Å; L134-V156 HydrophobicContact CD2-CG2 3.65Å; L134-V156 HydrophobicContact CG-CG2 4.01Å
135Q85.2Confident83.7Confident4 Ų427.7 Ų27.72%0.01916%0.156CC..Hα-helixtrans-65-24-180-76.3174.4-39.200113.5T32 V35 K36 K65 K131 C132 R133T32-Q135 HydrophobicContact CG2-CB 4.42Å; T32-Q135 HydrophobicContact CG2-CG 4.31Å; T32-Q135 PolarHBondContact OG1-NE2 3.47Å; V35-Q135 HydrophobicContact CG1-CB 4.43Å; K36-Q135 WeakPolarHBondContact CE-O 3.15Å; K65-Q135 VanDerWaalsContact O-CG 3.28Å; K65-Q135 WeakPolarHBondContact O-CG 3.41Å; K131-Q135 WeakPolarHBondContact O-CG 3.15Å; K131-Q135 PolarHBondContact O-N 3.34Å; C132-Q135 PolarHBondContact O-N 3.26Å; R133-Q135 VanDerWaalsContact C-N 3.33Å; R133-Q135 PolarHBondContact O-N 2.91Å
136T83.3Confident82.9Confident0 Ų029.2 Ų29.20%016%0.164CC..Hα-helixtrans-110.9-3.4-175.555.30000113.8V35 T39 F40 C132 R133 L134 Y138 E139 M140 V239V35-T136 HydrophobicContact CG1-CG2 3.67Å; T39-T136 HydrophobicContact CG2-CG2 4.37Å; F40-T136 HydrophobicContact CE2-CG2 3.93Å; C132-T136 WeakPolarHBondContact O-CG2 3.2Å; C132-T136 PolarHBondContact O-N 2.95Å; C132-T136 PolarHBondContact O-OG1 3.43Å; R133-T136 PolarHBondContact O-N 3.47Å; R133-T136 VanDerWaalsContact O-N 3.14Å; R133-T136 PolarHBondContact O-OG1 3.32Å; L134-T136 PolarHBondContact O-N 3.45Å; T136-Y138 VanDerWaalsContact C-N 3.28Å; T136-Y138 PolarHBondContact O-N 3.14Å; T136-E139 WeakPolarHBondContact CA-OE2 3.31Å; T136-E139 PolarHBondContact O-N 3.38Å; T136-M140 WeakPolarHBondContact O-CG 3.19Å; T136-M140 PolarHBondContact O-N 2.94Å; T136-V239 HydrophobicContact CG2-CG1 4.09Å; T136-V239 HydrophobicContact CG2-CG2 3.95Å; T136-V239 VanDerWaalsContact OG1-CG1 3.23Å; T136-V239 WeakPolarHBondContact OG1-CG1 3.24Å
137M82Confident81.9Confident8 Ų831.8 Ų31.84%0.03919%0.188CC..Hα-helixtrans-59.2-38.2-175-75.3-170.580.500112.9R133 L134 M140 E141 I146 N151 V156 M242R133-M137 WeakPolarHBondContact O-CG 3.43Å; R133-M137 PolarHBondContact O-N 3.01Å; L134-M137 HydrophobicContact CD2-SD 3.84Å; M137-M140 PolarHBondContact O-N 2.91Å; M137-E141 WeakPolarHBondContact O-CG 3.23Å; M137-E141 PolarHBondContact O-N 3.48Å; M137-I146 HydrophobicContact CE-CD1 4.47Å; M137-N151 WeakPolarHBondContact CB-OD1 3.37Å; M137-N151 WeakPolarHBondContact CE-OD1 3.27Å; M137-N151 PolarHBondContact SD-OD1 3.33Å; M137-V156 HydrophobicContact CE-CG2 4.1Å; M137-V156 HydrophobicContact SD-CG2 3.41Å; M137-V156 WeakPolarHBondContact SD-CG2 3.21Å; M137-M242 HydrophobicContact CG-CE 4.26Å
138Y79.6Confident80.8Confident62 Ų6239.7 Ų39.724%0.24322%0.22CC..Hα-helixtrans-64-45.1-178.3178-96.7000110.9Q57 V58 T136 M140 E141 M142Q57-Y138 HydrophobicContact CB-CE1 3.85Å; Q57-Y138 HydrophobicContact CG-CE1 4.33Å; V58-Y138 HydrophobicContact CG2-CD1 3.83Å; V58-Y138 HydrophobicContact CG2-CD2 3.93Å; V58-Y138 HydrophobicContact CG2-CE1 3.94Å; V58-Y138 HydrophobicContact CG2-CE2 4.02Å; V58-Y138 HydrophobicContact CG2-CG 3.82Å; T136-Y138 VanDerWaalsContact C-N 3.28Å; T136-Y138 PolarHBondContact O-N 3.14Å; Y138-M140 VanDerWaalsContact C-N 3.32Å; Y138-M140 PolarHBondContact O-N 3.41Å; Y138-E141 PolarHBondContact O-N 3.14Å; Y138-M142 HydrophobicContact CD1-CG 4.22Å; Y138-M142 HydrophobicContact CE1-CG 3.77Å; Y138-M142 HydrophobicContact CE2-CG 4.22Å; Y138-M142 WeakPolarHBondContact O-CB 3.41Å; Y138-M142 WeakPolarHBondContact O-CG 3.31Å; Y138-M142 PolarHBondContact O-N 2.81Å
139E81.9Confident79.6Confident3 Ų341.4 Ų41.41%0.01424%0.235CC..Hα-helixtrans-65.4-37.2177.5-66.968.2-149.500111.4K36 F40 L43 Y44 T136 M142 S143K36-E139 WeakPolarHBondContact CE-OE1 3.33Å; K36-E139 IonicContact NZ-OE1 2.78Å; K36-E139 PolarHBondContact NZ-OE1 2.92Å; K36-E139 IonicContact NZ-OE2 2.7Å; F40-E139 HydrophobicContact CD1-CB 4.42Å; F40-E139 HydrophobicContact CD2-CB 3.82Å; F40-E139 HydrophobicContact CD2-CG 4.05Å; F40-E139 HydrophobicContact CE1-CB 4Å; F40-E139 HydrophobicContact CE2-CB 3.34Å; F40-E139 HydrophobicContact CE2-CG 3.94Å; F40-E139 HydrophobicContact CG-CB 4.33Å; F40-E139 HydrophobicContact CZ-CB 3.42Å; F40-E139 VanDerWaalsContact CZ-CB 3.42Å; F40-E139 HydrophobicContact CZ-CG 4.47Å; L43-E139 HydrophobicContact CD2-CB 4.4Å; L43-E139 HydrophobicContact CD2-CG 3.96Å; Y44-E139 HydrophobicContact CE2-CG 4.2Å; Y44-E139 VanDerWaalsContact OH-CG 3.31Å; Y44-E139 WeakPolarHBondContact OH-CG 3.21Å; Y44-E139 PolarHBondContact OH-OE1 3.44Å; Y44-E139 VanDerWaalsContact OH-OE1 3.07Å; T136-E139 WeakPolarHBondContact CA-OE2 3.31Å; T136-E139 PolarHBondContact O-N 3.38Å; E139-M142 PolarHBondContact O-N 2.96Å; E139-S143 VanDerWaalsContact O-CB 3.24Å; E139-S143 WeakPolarHBondContact O-CB 3.23Å; E139-S143 PolarHBondContact O-N 2.71Å; E139-S143 PolarHBondContact O-OG 3.04Å
140M78.6Confident78.1Confident0 Ų048.9 Ų48.90%027%0.27CS..Hα-helixtrans-65.7-40.3174.9-72.4-58.9177.900112.6T39 F40 T136 M137 Y138 G144 K145 I146 V239 L240T39-M140 HydrophobicContact CG2-CE 3.99Å; F40-M140 HydrophobicContact CE1-CE 3.72Å; F40-M140 HydrophobicContact CE1-SD 3.79Å; F40-M140 HydrophobicContact CE2-CE 4.43Å; F40-M140 HydrophobicContact CZ-CE 3.42Å; F40-M140 VanDerWaalsContact CZ-CE 3.42Å; F40-M140 HydrophobicContact CZ-CG 3.86Å; F40-M140 HydrophobicContact CZ-SD 3.66Å; T136-M140 WeakPolarHBondContact O-CG 3.19Å; T136-M140 PolarHBondContact O-N 2.94Å; M137-M140 PolarHBondContact O-N 2.91Å; Y138-M140 VanDerWaalsContact C-N 3.32Å; Y138-M140 PolarHBondContact O-N 3.41Å; M140-G144 PolarHBondContact O-N 2.97Å; M140-K145 PolarHBondContact O-N 3.16Å; M140-K145 HydrophobicContact SD-CB 4Å; M140-K145 HydrophobicContact SD-CD 3.81Å; M140-I146 HydrophobicContact CB-CD1 3.46Å; M140-I146 VanDerWaalsContact CB-CD1 3.46Å; M140-I146 HydrophobicContact CB-CG1 3.66Å; M140-I146 HydrophobicContact CB-CG2 4.31Å; M140-I146 HydrophobicContact CG-CD1 4.48Å; M140-I146 PolarHBondContact O-N 3.36Å; M140-V239 HydrophobicContact CE-CG1 3.24Å; M140-L240 HydrophobicContact CE-CD2 4Å
141E82.7Confident77.1Confident32 Ų3251.3 Ų51.315%0.1528%0.283CS..Hα-helixtrans-65.9-45.2175.5-74.3177.415800110.9M137 Y138 S143 G144 I146 S149 N151M137-E141 WeakPolarHBondContact O-CG 3.23Å; M137-E141 PolarHBondContact O-N 3.48Å; Y138-E141 PolarHBondContact O-N 3.14Å; E141-S143 VanDerWaalsContact C-N 3.34Å; E141-S143 PolarHBondContact O-N 3.32Å; E141-G144 PolarHBondContact O-N 3.38Å; E141-I146 HydrophobicContact CB-CG1 4.48Å; E141-I146 HydrophobicContact CG-CD1 3.91Å; E141-I146 HydrophobicContact CG-CG1 3.76Å; E141-S149 PolarHBondContact OE1-N 2.91Å; E141-N151 PolarHBondContact OE1-ND2 3.3Å; E141-N151 PolarHBondContact OE2-ND2 2.88Å
142M77.3Confident76.7Confident126 Ų12653.1 Ų53.162%0.62130%0.296SS*.Hα-helixtrans-67.9-31.9178.9-72.2-59.1-61.400113Y138 E139 G144Y138-M142 HydrophobicContact CD1-CG 4.22Å; Y138-M142 HydrophobicContact CE1-CG 3.77Å; Y138-M142 HydrophobicContact CE2-CG 4.22Å; Y138-M142 WeakPolarHBondContact O-CB 3.41Å; Y138-M142 WeakPolarHBondContact O-CG 3.31Å; Y138-M142 PolarHBondContact O-N 2.81Å; E139-M142 PolarHBondContact O-N 2.96Å; M142-G144 PolarHBondContact O-N 2.94Å
143S76.1Confident76.7Confident59 Ų5956.6 Ų56.641%0.41331%0.314SS..THydrogen-bonded Turntrans-77.8-1.7176-55.80000113.3E139 E141 K145E139-S143 VanDerWaalsContact O-CB 3.24Å; E139-S143 WeakPolarHBondContact O-CB 3.23Å; E139-S143 PolarHBondContact O-N 2.71Å; E139-S143 PolarHBondContact O-OG 3.04Å; E141-S143 VanDerWaalsContact C-N 3.34Å; E141-S143 PolarHBondContact O-N 3.32Å; S143-K145 PolarHBondContact O-N 3.49Å
144G72.8Confident76.6Confident64 Ų6464.9 Ų64.966%0.6635%0.345SS*.THydrogen-bonded Turntrans67.511.6-175.900000114.4M140 E141 M142M140-G144 PolarHBondContact O-N 2.97Å; E141-G144 PolarHBondContact O-N 3.38Å; M142-G144 PolarHBondContact O-N 2.94Å
145K70.8Confident76.5Confident80 Ų8066 Ų6635%0.34835%0.354SS..SBendtrans-77.3-26.3-179.7-69.6-179.5-179.9175.80111.6M140 S143 Y243M140-K145 PolarHBondContact O-N 3.16Å; M140-K145 HydrophobicContact SD-CB 4Å; M140-K145 HydrophobicContact SD-CD 3.81Å; S143-K145 PolarHBondContact O-N 3.49Å; K145-Y243 HydrophobicContact CB-CD2 3.83Å; K145-Y243 HydrophobicContact CB-CE2 4.13Å; K145-Y243 HydrophobicContact CB-CG 4.35Å; K145-Y243 HydrophobicContact CG-CD2 4.33Å; K145-Y243 HydrophobicContact CG-CE2 4.33Å; K145-Y243 WeakPolarHBondContact O-CD2 3.41Å; K145-Y243 WeakPolarHBondContact O-CE2 3.47Å
146I71.6Confident76.6Confident33 Ų3366.2 Ų66.217%0.16936%0.355CS..SBendtrans-130.4150.3173.766.3-179000110.7M137 M140 E141 M242M137-I146 HydrophobicContact CE-CD1 4.47Å; M140-I146 HydrophobicContact CB-CD1 3.46Å; M140-I146 VanDerWaalsContact CB-CD1 3.46Å; M140-I146 HydrophobicContact CB-CG1 3.66Å; M140-I146 HydrophobicContact CB-CG2 4.31Å; M140-I146 HydrophobicContact CG-CD1 4.48Å; M140-I146 PolarHBondContact O-N 3.36Å; E141-I146 HydrophobicContact CB-CG1 4.48Å; E141-I146 HydrophobicContact CG-CD1 3.91Å; E141-I146 HydrophobicContact CG-CG1 3.76Å; I146-M242 HydrophobicContact CD1-CE 3.93Å
147A70.1Confident76.9Confident86 Ų8667.8 Ų67.871%0.71136%0.364SS*.  trans-64.3143.2172.100000110.3S149A147-S149 PolarHBondContact O-N 3.3Å
148K66.1Low77.3Confident191 Ų19173.6 Ų73.683%0.8339%0.39SS*.  trans-53.2115.5172-79.5-176.8177.1178.80108.9
149S62.1Low77.5Confident67 Ų6772.5 Ų72.547%0.46940%0.397SS..  trans-130.7159.5-177.2-163.80000110.4E141 A147 N151E141-S149 PolarHBondContact OE1-N 2.91Å; A147-S149 PolarHBondContact O-N 3.3Å; S149-N151 PolarHBondContact O-N 3.05Å; S149-N151 VanDerWaalsContact O-N 3.08Å
150H58.9Low77.8Confident157 Ų15772.3 Ų72.373%0.72740%0.396SS*.  trans-60.2119.4171.8-80.8-82000109T152 S155H150-T152 PolarHBondContact O-N 2.9Å; H150-S155 WeakPolarHBondContact O-CB 3.45Å; H150-S155 PolarHBondContact O-OG 3.5Å
151N68.4Low78.4Confident60 Ų6076.7 Ų76.732%0.32142%0.419SS..  trans-8151.9-173-86.4-66.3000112.4K65 M137 E141 S149K65-N151 VanDerWaalsContact NZ-CG 3.3Å; K65-N151 PolarHBondContact NZ-OD1 3.49Å; M137-N151 WeakPolarHBondContact CB-OD1 3.37Å; M137-N151 WeakPolarHBondContact CE-OD1 3.27Å; M137-N151 PolarHBondContact SD-OD1 3.33Å; E141-N151 PolarHBondContact OE1-ND2 3.3Å; E141-N151 PolarHBondContact OE2-ND2 2.88Å; S149-N151 PolarHBondContact O-N 3.05Å; S149-N151 VanDerWaalsContact O-N 3.08Å
152T82Confident78.6Confident68 Ų6884.1 Ų84.142%0.41745%0.451SS..  trans-106.7156.6-177.466.10000112H150 W154 S155 V156H150-T152 PolarHBondContact O-N 2.9Å; T152-W154 PolarHBondContact O-N 3.32Å; T152-S155 PolarHBondContact N-OG 2.84Å; T152-S155 PolarHBondContact O-N 2.94Å; T152-S155 PolarHBondContact O-OG 2.91Å; T152-S155 PolarHBondContact OG1-N 2.62Å; T152-S155 PolarHBondContact OG1-OG 3.12Å; T152-V156 PolarHBondContact O-N 3.11Å
153I85.3Confident79Confident75 Ų7583.1 Ų83.139%0.38544%0.443SS..Hα-helixtrans-56.4-42.9175.3-63.5160.9000110.1P69 V130 L134 S155 V156 V157P69-I153 HydrophobicContact CG-CD1 4.12Å; P69-I153 HydrophobicContact CG-CG1 4.04Å; P69-I153 HydrophobicContact CG-CG2 4.35Å; V130-I153 HydrophobicContact CG1-CG2 4.1Å; L134-I153 HydrophobicContact CD1-CB 4.37Å; L134-I153 HydrophobicContact CD1-CG1 3.63Å; I153-S155 PolarHBondContact O-N 2.94Å; I153-V156 PolarHBondContact O-N 3.29Å; I153-V157 HydrophobicContact CG2-CG2 4.4Å; I153-V157 WeakPolarHBondContact O-CG2 2.93Å; I153-V157 PolarHBondContact O-N 2.71Å
154W86.9Confident79.3Confident184 Ų18482.8 Ų82.870%0.69744%0.436SS*.Hα-helixtrans-65.1-37.4-179.2-173.1-113.8000113.4T152 V156 V157 K158T152-W154 PolarHBondContact O-N 3.32Å; W154-V156 VanDerWaalsContact C-N 3.34Å; W154-V157 PolarHBondContact O-N 2.9Å; W154-K158 VanDerWaalsContact O-CB 3.26Å; W154-K158 WeakPolarHBondContact O-CB 3.15Å; W154-K158 PolarHBondContact O-N 3.4Å
155S85.9Confident80.1Confident28 Ų2880.7 Ų80.720%0.19641%0.414CS..Hα-helixtrans-66.7-38.5177.670.80000111.6H150 T152 I153 G159H150-S155 WeakPolarHBondContact O-CB 3.45Å; H150-S155 PolarHBondContact O-OG 3.5Å; T152-S155 PolarHBondContact N-OG 2.84Å; T152-S155 PolarHBondContact O-N 2.94Å; T152-S155 PolarHBondContact O-OG 2.91Å; T152-S155 PolarHBondContact OG1-N 2.62Å; T152-S155 PolarHBondContact OG1-OG 3.12Å; I153-S155 PolarHBondContact O-N 2.94Å; S155-G159 PolarHBondContact O-N 3.01Å
156V86.6Confident80.9Confident8 Ų881.4 Ų81.45%0.04843%0.427CS..Hα-helixtrans-64.8-47.3175.7176.40000110.6V130 R133 L134 M137 T152 I153 W154 G159 I160V130-V156 HydrophobicContact CG1-CG1 4.25Å; V130-V156 HydrophobicContact CG2-CG1 4.47Å; R133-V156 HydrophobicContact CB-CG1 4.01Å; L134-V156 HydrophobicContact CD2-CG2 3.65Å; L134-V156 HydrophobicContact CG-CG2 4.01Å; M137-V156 HydrophobicContact CE-CG2 4.1Å; M137-V156 HydrophobicContact SD-CG2 3.41Å; M137-V156 WeakPolarHBondContact SD-CG2 3.21Å; T152-V156 PolarHBondContact O-N 3.11Å; I153-V156 PolarHBondContact O-N 3.29Å; W154-V156 VanDerWaalsContact C-N 3.34Å; V156-G159 PolarHBondContact O-N 3.07Å; V156-I160 HydrophobicContact CG1-CD1 4Å; V156-I160 WeakPolarHBondContact O-CG1 3.38Å; V156-I160 PolarHBondContact O-N 3.27Å
157V89.8Confident81.7Confident32 Ų3286.5 Ų86.519%0.19445%0.454CS..Hα-helixtrans-59.2-51.11771690000110.9V130 I153 W154 G159 I160 L161 F169V130-V157 HydrophobicContact CG2-CG2 4.1Å; I153-V157 HydrophobicContact CG2-CG2 4.4Å; I153-V157 WeakPolarHBondContact O-CG2 2.93Å; I153-V157 PolarHBondContact O-N 2.71Å; W154-V157 PolarHBondContact O-N 2.9Å; V157-G159 VanDerWaalsContact C-N 3.27Å; V157-G159 PolarHBondContact O-N 2.87Å; V157-I160 PolarHBondContact O-N 2.95Å; V157-L161 HydrophobicContact CG1-CD1 3.96Å; V157-L161 PolarHBondContact O-N 3.5Å; V157-F169 HydrophobicContact CB-CZ 4.45Å; V157-F169 HydrophobicContact CG1-CE1 4.44Å; V157-F169 HydrophobicContact CG1-CZ 3.93Å; V157-F169 HydrophobicContact CG2-CE1 4.42Å
158K89.1Confident82.4Confident131 Ų13182.4 Ų82.457%0.5742%0.421SS*.Hα-helixtrans-62.5-36.4178.1-171.4176.6-177.51780111.9W154 L161 K162W154-K158 VanDerWaalsContact O-CB 3.26Å; W154-K158 WeakPolarHBondContact O-CB 3.15Å; W154-K158 PolarHBondContact O-N 3.4Å; K158-L161 PolarHBondContact O-N 2.78Å; K158-K162 VanDerWaalsContact O-CB 3.32Å; K158-K162 WeakPolarHBondContact O-CB 3.22Å; K158-K162 PolarHBondContact O-N 3.25Å
159G85.6Confident83.5Confident38 Ų3874.8 Ų74.839%0.39239%0.387SS..Hα-helixtrans-62.8-45.3175.500000112.5S155 V156 V157 K162 K163S155-G159 PolarHBondContact O-N 3.01Å; V156-G159 PolarHBondContact O-N 3.07Å; V157-G159 VanDerWaalsContact C-N 3.27Å; V157-G159 PolarHBondContact O-N 2.87Å; G159-K162 PolarHBondContact O-N 3.34Å; G159-K163 VanDerWaalsContact O-CB 3.28Å; G159-K163 WeakPolarHBondContact O-CB 3.13Å; G159-K163 PolarHBondContact O-N 3.4Å
160I87.8Confident84.7Confident0 Ų076.4 Ų76.40%038%0.384CS..Hα-helixtrans-60.2-53.1174.3-66.5158.1000110.1L129 V130 V156 V157 K162 K163 D164 G165 F169L129-I160 HydrophobicContact CD2-CD1 4.06Å; V130-I160 HydrophobicContact CG2-CD1 4.02Å; V156-I160 HydrophobicContact CG1-CD1 4Å; V156-I160 WeakPolarHBondContact O-CG1 3.38Å; V156-I160 PolarHBondContact O-N 3.27Å; V157-I160 PolarHBondContact O-N 2.95Å; I160-K162 VanDerWaalsContact C-N 3.3Å; I160-K162 PolarHBondContact O-N 3.15Å; I160-K163 PolarHBondContact O-N 3.06Å; I160-D164 PolarHBondContact O-N 3.31Å; I160-G165 PolarHBondContact O-N 3.27Å; I160-F169 HydrophobicContact CB-CE1 4.07Å; I160-F169 HydrophobicContact CB-CE2 4.27Å; I160-F169 HydrophobicContact CB-CZ 3.85Å; I160-F169 HydrophobicContact CD1-CD1 3.99Å; I160-F169 HydrophobicContact CD1-CE1 3.58Å; I160-F169 HydrophobicContact CD1-CZ 4.22Å; I160-F169 HydrophobicContact CG1-CE1 4.42Å; I160-F169 HydrophobicContact CG2-CD1 4.08Å; I160-F169 HydrophobicContact CG2-CD2 3.87Å; I160-F169 HydrophobicContact CG2-CE1 3.95Å; I160-F169 HydrophobicContact CG2-CE2 3.73Å; I160-F169 HydrophobicContact CG2-CG 4.03Å; I160-F169 HydrophobicContact CG2-CZ 3.75Å
161L90.1Very high86Confident91 Ų9172.3 Ų72.348%0.47637%0.365SS..Hα-helixtrans-56.9-41.9-179.2-102.2125.8000112.8V157 K158 G165 F169V157-L161 HydrophobicContact CG1-CD1 3.96Å; V157-L161 PolarHBondContact O-N 3.5Å; K158-L161 PolarHBondContact O-N 2.78Å; L161-G165 VanDerWaalsContact O-CA 3.29Å; L161-G165 WeakPolarHBondContact O-CA 3.47Å; L161-G165 PolarHBondContact O-N 2.82Å; L161-F169 HydrophobicContact CD1-CE2 3.67Å; L161-F169 HydrophobicContact CD1-CZ 3.8Å; L161-F169 HydrophobicContact CG-CE2 3.95Å; L161-F169 HydrophobicContact CG-CZ 4.44Å
162K88.2Confident86.7Confident189 Ų18969.8 Ų69.882%0.82235%0.353SS*.Hα-helixtrans-73.7-34.9-178.4-171.8176.9178.4-176.80112.8K158 G159 I160K158-K162 VanDerWaalsContact O-CB 3.32Å; K158-K162 WeakPolarHBondContact O-CB 3.22Å; K158-K162 PolarHBondContact O-N 3.25Å; G159-K162 PolarHBondContact O-N 3.34Å; I160-K162 VanDerWaalsContact C-N 3.3Å; I160-K162 PolarHBondContact O-N 3.15Å
163K85.1Confident86.9Confident105 Ų10568.3 Ų68.346%0.45734%0.342SS..Hα-helixtrans-87.9-49.8-174.1-170.5-170.4177.3-173.10112.6G159 I160 S241 M242G159-K163 VanDerWaalsContact O-CB 3.28Å; G159-K163 WeakPolarHBondContact O-CB 3.13Å; G159-K163 PolarHBondContact O-N 3.4Å; I160-K163 PolarHBondContact O-N 3.06Å; K163-S241 PolarHBondContact NZ-O 3.29Å; K163-M242 PolarHBondContact NZ-O 2.89Å
164D83.2Confident86.9Confident52 Ų5268.5 Ų68.528%0.27835%0.35SS..Hα-helixtrans-116.9-4.6-167.2-55.1-44.9000112R133 I160R133-D164 IonicContact NH2-OD2 3.37Å; I160-D164 PolarHBondContact O-N 3.31Å
165G88.3Confident86.8Confident19 Ų1959.7 Ų59.720%0.19632%0.317CS..  trans71.7-169.3-175.600000113.3I160 L161 L167 G168I160-G165 PolarHBondContact O-N 3.27Å; L161-G165 VanDerWaalsContact O-CA 3.29Å; L161-G165 WeakPolarHBondContact O-CA 3.47Å; L161-G165 PolarHBondContact O-N 2.82Å; G165-L167 VanDerWaalsContact C-N 3.28Å; G165-L167 PolarHBondContact O-N 2.96Å; G165-G168 PolarHBondContact O-N 3.37Å; G165-G168 VanDerWaalsContact O-N 3.16Å
166P87.9Confident86.8Confident95 Ų9558.4 Ų58.462%0.61731%0.308SS*.G310 helixtrans-66.9-27.6-179.426.4-34.2000113.2G168 F169P166-G168 PolarHBondContact O-N 3.45Å; P166-F169 WeakPolarHBondContact O-CD2 3.2Å; P166-F169 PolarHBondContact O-N 3.25Å
167L87.4Confident86.8Confident140 Ų14060.8 Ų60.873%0.73332%0.32SS*.G310 helixtrans-71-18.9175.9-66.7176.4000112.6G165 F169 Y170G165-L167 VanDerWaalsContact C-N 3.28Å; G165-L167 PolarHBondContact O-N 2.96Å; L167-F169 PolarHBondContact O-N 3.03Å; L167-Y170 PolarHBondContact O-N 3.48Å
168G85.8Confident86.7Confident1 Ų163 Ų631%0.0133%0.33CS..G310 helixtrans-59.6-25.7175.700000113.9L129 G165 P166 Y170 H171L129-G168 VanDerWaalsContact CD2-O 3.25Å; L129-G168 WeakPolarHBondContact CD2-O 3.4Å; G165-G168 PolarHBondContact O-N 3.37Å; G165-G168 VanDerWaalsContact O-N 3.16Å; P166-G168 PolarHBondContact O-N 3.45Å; G168-Y170 PolarHBondContact O-N 3.45Å; G168-H171 WeakPolarHBondContact O-CB 3.44Å; G168-H171 PolarHBondContact O-CD2 3.19Å; G168-H171 PolarHBondContact O-N 3.05Å
169F88.3Confident86.5Confident30 Ų3057.7 Ų57.713%0.13231%0.308CS..G310 helixtrans-67.2-17.5175.9-71.6-77.8000114.1C125 P126 V130 V157 I160 L161 P166 L167C125-F169 PolarHBondContact SG-O 2.9Å; P126-F169 HydrophobicContact CB-CB 3.99Å; P126-F169 HydrophobicContact CB-CD1 4.23Å; P126-F169 HydrophobicContact CB-CG 4.43Å; V130-F169 HydrophobicContact CG2-CD1 4.46Å; V130-F169 HydrophobicContact CG2-CE1 4.15Å; V157-F169 HydrophobicContact CB-CZ 4.45Å; V157-F169 HydrophobicContact CG1-CE1 4.44Å; V157-F169 HydrophobicContact CG1-CZ 3.93Å; V157-F169 HydrophobicContact CG2-CE1 4.42Å; I160-F169 HydrophobicContact CB-CE1 4.07Å; I160-F169 HydrophobicContact CB-CE2 4.27Å; I160-F169 HydrophobicContact CB-CZ 3.85Å; I160-F169 HydrophobicContact CD1-CD1 3.99Å; I160-F169 HydrophobicContact CD1-CE1 3.58Å; I160-F169 HydrophobicContact CD1-CZ 4.22Å; I160-F169 HydrophobicContact CG1-CE1 4.42Å; I160-F169 HydrophobicContact CG2-CD1 4.08Å; I160-F169 HydrophobicContact CG2-CD2 3.87Å; I160-F169 HydrophobicContact CG2-CE1 3.95Å; I160-F169 HydrophobicContact CG2-CE2 3.73Å; I160-F169 HydrophobicContact CG2-CG 4.03Å; I160-F169 HydrophobicContact CG2-CZ 3.75Å; L161-F169 HydrophobicContact CD1-CE2 3.67Å; L161-F169 HydrophobicContact CD1-CZ 3.8Å; L161-F169 HydrophobicContact CG-CE2 3.95Å; L161-F169 HydrophobicContact CG-CZ 4.44Å; P166-F169 WeakPolarHBondContact O-CD2 3.2Å; P166-F169 PolarHBondContact O-N 3.25Å; L167-F169 PolarHBondContact O-N 3.03Å
170Y88.6Confident86.3Confident101 Ų10157.2 Ų57.240%0.39630%0.295SS..G310 helixtrans-98.813179.4-63.5-83.7000112.7L122 C125 L167 G168 G172 L173L122-Y170 HydrophobicContact CD2-CE1 4.43Å; L122-Y170 WeakPolarHBondContact O-CE1 3.21Å; C125-Y170 HydrophobicContact CB-CD1 4.35Å; L167-Y170 PolarHBondContact O-N 3.48Å; G168-Y170 PolarHBondContact O-N 3.45Å; Y170-G172 PolarHBondContact O-N 2.72Å; Y170-G172 VanDerWaalsContact O-N 3.16Å; Y170-L173 HydrophobicContact CD1-CD2 4.02Å; Y170-L173 VanDerWaalsContact O-CB 3.26Å; Y170-L173 WeakPolarHBondContact O-CB 3.35Å; Y170-L173 PolarHBondContact O-N 3.43Å
171H85.3Confident85.8Confident72 Ų7260.6 Ų60.633%0.33332%0.316SS..THydrogen-bonded Turntrans-60119.9169.1-82-52.7000110.5L129 G168L129-H171 HydrophobicContact CD1-CB 4.42Å; G168-H171 WeakPolarHBondContact O-CB 3.44Å; G168-H171 PolarHBondContact O-CD2 3.19Å; G168-H171 PolarHBondContact O-N 3.05Å
172G82.9Confident85.3Confident7 Ų758.1 Ų58.17%0.07231%0.305CS..THydrogen-bonded Turntrans95.1-1.8-175.500000114.5Y170 S174 S175 T176Y170-G172 PolarHBondContact O-N 2.72Å; Y170-G172 VanDerWaalsContact O-N 3.16Å; G172-S174 VanDerWaalsContact C-N 3.3Å; G172-S174 PolarHBondContact O-N 3.33Å; G172-S175 CarbonylContact O-C 3.56Å; G172-S175 WeakPolarHBondContact O-CA 3.38Å; G172-S175 WeakPolarHBondContact O-CB 3.45Å; G172-S175 PolarHBondContact O-N 3.03Å; G172-T176 PolarHBondContact O-N 3.37Å; G172-T176 PolarHBondContact O-OG1 3.01Å; G172-T176 VanDerWaalsContact O-OG1 3.11Å
173L87.2Confident85Confident36 Ų3649.2 Ų49.219%0.18827%0.267CS..Hα-helixtrans-55.3-42.6179.9177.265000112.8L122 C125 Y170 S175 T176 L177L122-L173 HydrophobicContact CD2-CD1 3.86Å; L122-L173 HydrophobicContact CD2-CD2 3.71Å; L122-L173 HydrophobicContact CD2-CG 4.43Å; C125-L173 HydrophobicContact CB-CD1 4.25Å; Y170-L173 HydrophobicContact CD1-CD2 4.02Å; Y170-L173 VanDerWaalsContact O-CB 3.26Å; Y170-L173 WeakPolarHBondContact O-CB 3.35Å; Y170-L173 PolarHBondContact O-N 3.43Å; L173-S175 VanDerWaalsContact C-N 3.26Å; L173-S175 PolarHBondContact O-N 3.45Å; L173-T176 WeakPolarHBondContact O-CB 3.4Å; L173-T176 PolarHBondContact O-N 2.92Å; L173-L177 HydrophobicContact CD1-CD1 4.37Å; L173-L177 HydrophobicContact CD1-CG 4.27Å; L173-L177 HydrophobicContact CG-CD1 4.2Å; L173-L177 HydrophobicContact CG-CG 4.5Å; L173-L177 WeakPolarHBondContact O-CG 3.42Å; L173-L177 PolarHBondContact O-N 3.46Å
174S85.9Confident84.6Confident79 Ų7947.4 Ų47.455%0.55226%0.258SS*.Hα-helixtrans-62.1-36176.456.20000112.3G172 L178G172-S174 VanDerWaalsContact C-N 3.3Å; G172-S174 PolarHBondContact O-N 3.33Å; S174-L178 WeakPolarHBondContact O-CB 3.06Å; S174-L178 PolarHBondContact O-N 3.31Å
175S84.9Confident84.5Confident0 Ų051.2 Ų51.20%027%0.272CS..Hα-helixtrans-71.6-38.5175.5-45.10000111.2G172 L173 L178 Q179 V230 F249G172-S175 CarbonylContact O-C 3.56Å; G172-S175 WeakPolarHBondContact O-CA 3.38Å; G172-S175 WeakPolarHBondContact O-CB 3.45Å; G172-S175 PolarHBondContact O-N 3.03Å; L173-S175 VanDerWaalsContact C-N 3.26Å; L173-S175 PolarHBondContact O-N 3.45Å; S175-L178 PolarHBondContact O-N 2.83Å; S175-Q179 WeakPolarHBondContact O-CB 3.37Å; S175-Q179 PolarHBondContact O-N 3.49Å; S175-V230 VanDerWaalsContact O-CG1 3.31Å; S175-V230 WeakPolarHBondContact O-CG1 3.27Å; S175-F249 WeakPolarHBondContact OG-CD2 3.28Å
176T85.8Confident84.3Confident0 Ų054.4 Ų54.40%028%0.281CS..Hα-helixtrans-60.2-51.6173.1-500000110.9A121 G172 L173 L178 Q179 E180 K234A121-T176 HydrophobicContact CB-CG2 3.7Å; G172-T176 PolarHBondContact O-N 3.37Å; G172-T176 PolarHBondContact O-OG1 3.01Å; G172-T176 VanDerWaalsContact O-OG1 3.11Å; L173-T176 WeakPolarHBondContact O-CB 3.4Å; L173-T176 PolarHBondContact O-N 2.92Å; T176-L178 VanDerWaalsContact C-N 3.31Å; T176-L178 PolarHBondContact O-N 3.25Å; T176-Q179 WeakPolarHBondContact O-CB 3.31Å; T176-Q179 PolarHBondContact O-N 3.32Å; T176-E180 HydrophobicContact CG2-CG 4.39Å; T176-E180 WeakPolarHBondContact O-CG 3.33Å; T176-E180 PolarHBondContact O-N 3.23Å; T176-K234 WeakPolarHBondContact OG1-CE 3.32Å
177L86.8Confident84.2Confident59 Ų5953.7 Ų53.731%0.30927%0.266SS..Hα-helixtrans-61.3-40.1178.7-70173000112.2A118 A121 L173 Q179 E180 V181A118-L177 HydrophobicContact CB-CD2 3.77Å; A121-L177 HydrophobicContact CB-CD2 3.89Å; L173-L177 HydrophobicContact CD1-CD1 4.37Å; L173-L177 HydrophobicContact CD1-CG 4.27Å; L173-L177 HydrophobicContact CG-CD1 4.2Å; L173-L177 HydrophobicContact CG-CG 4.5Å; L173-L177 WeakPolarHBondContact O-CG 3.42Å; L173-L177 PolarHBondContact O-N 3.46Å; L177-Q179 PolarHBondContact O-N 2.96Å; L177-E180 PolarHBondContact O-N 3.34Å; L177-V181 PolarHBondContact O-N 2.88Å
178L86.1Confident83.9Confident77 Ų7749.7 Ų49.740%0.40324%0.243SC..Hα-helixtrans-67.7-23.3176.1-173.164.3000112.9S174 S175 T176 P182 V230 F249S174-L178 WeakPolarHBondContact O-CB 3.06Å; S174-L178 PolarHBondContact O-N 3.31Å; S175-L178 PolarHBondContact O-N 2.83Å; T176-L178 VanDerWaalsContact C-N 3.31Å; T176-L178 PolarHBondContact O-N 3.25Å; L178-P182 WeakPolarHBondContact O-CD 3.44Å; L178-P182 WeakPolarHBondContact O-CG 3.32Å; L178-V230 HydrophobicContact CB-CG1 4.23Å; L178-V230 HydrophobicContact CD2-CG1 4.35Å; L178-V230 HydrophobicContact CG-CG1 4.28Å; L178-F249 HydrophobicContact CD2-CD1 4.03Å; L178-F249 HydrophobicContact CD2-CD2 4.5Å; L178-F249 HydrophobicContact CD2-CE1 3.6Å; L178-F249 HydrophobicContact CD2-CE2 4.1Å; L178-F249 HydrophobicContact CD2-CG 4.46Å; L178-F249 HydrophobicContact CD2-CZ 3.64Å
179Q85.3Confident83.9Confident20 Ų2051 Ų519%0.09326%0.257CS..Hα-helixtrans-81.6-46.7174.81471671400111S175 T176 L177 G183 V227 V230S175-Q179 WeakPolarHBondContact O-CB 3.37Å; S175-Q179 PolarHBondContact O-N 3.49Å; T176-Q179 WeakPolarHBondContact O-CB 3.31Å; T176-Q179 PolarHBondContact O-N 3.32Å; L177-Q179 PolarHBondContact O-N 2.96Å; Q179-G183 PolarHBondContact O-N 2.7Å; Q179-G183 VanDerWaalsContact O-N 3.14Å; Q179-V227 HydrophobicContact CB-CG1 4.26Å; Q179-V227 HydrophobicContact CG-CG1 3.51Å; Q179-V230 HydrophobicContact CB-CB 4.24Å; Q179-V230 HydrophobicContact CB-CG1 3.73Å
180E81.6Confident83.7Confident28 Ų2849.9 Ų49.913%0.13125%0.254CS..Hα-helixtrans-64.8-51.8-174.5-68.7-58.8130.800112T176 L177 G183 Y184T176-E180 HydrophobicContact CG2-CG 4.39Å; T176-E180 WeakPolarHBondContact O-CG 3.33Å; T176-E180 PolarHBondContact O-N 3.23Å; L177-E180 PolarHBondContact O-N 3.34Å; E180-G183 PolarHBondContact O-N 2.67Å; E180-Y184 VanDerWaalsContact O-CD2 3.31Å; E180-Y184 WeakPolarHBondContact O-CD2 3.2Å; E180-Y184 PolarHBondContact O-N 2.87Å; E180-Y184 VanDerWaalsContact O-N 3.15Å
181V78.5Confident83.6Confident71 Ų7147.7 Ų47.743%0.4325%0.245SC..Hα-helixtrans-66.3-51.9-170.1176.10000112.9L177 G183 F185L177-V181 PolarHBondContact O-N 2.88Å; V181-G183 VanDerWaalsContact C-N 3.3Å; V181-G183 PolarHBondContact O-N 3.5Å; V181-F185 PolarHBondContact O-N 3.3Å
182P79.3Confident83.4Confident40 Ų4046.1 Ų46.126%0.2624%0.238SC..Hα-helixtrans-67.5-34175.4-1935.1000111.8L178 Y184 F185 F186L178-P182 WeakPolarHBondContact O-CD 3.44Å; L178-P182 WeakPolarHBondContact O-CG 3.32Å; P182-Y184 PolarHBondContact O-N 2.97Å; P182-F185 WeakPolarHBondContact O-CB 3.41Å; P182-F185 PolarHBondContact O-N 3.23Å; P182-F185 VanDerWaalsContact O-N 3.14Å; P182-F186 HydrophobicContact CB-CD2 4.45Å; P182-F186 HydrophobicContact CB-CE2 4.5Å; P182-F186 VanDerWaalsContact O-CD2 3.23Å; P182-F186 WeakPolarHBondContact O-CD2 3.3Å; P182-F186 PolarHBondContact O-N 3.4Å
183G80.7Confident83.6Confident1 Ų152 Ų521%0.0127%0.267CS..Hα-helixtrans-55-51.718000000112Q179 E180 V181 F185 F186 Y187 L223 V227Q179-G183 PolarHBondContact O-N 2.7Å; Q179-G183 VanDerWaalsContact O-N 3.14Å; E180-G183 PolarHBondContact O-N 2.67Å; V181-G183 VanDerWaalsContact C-N 3.3Å; V181-G183 PolarHBondContact O-N 3.5Å; G183-F185 VanDerWaalsContact C-N 3.34Å; G183-F185 PolarHBondContact O-N 2.89Å; G183-F186 PolarHBondContact O-N 3.49Å; G183-Y187 WeakPolarHBondContact O-CB 3.49Å; G183-Y187 PolarHBondContact O-N 3.47Å; G183-L223 WeakPolarHBondContact O-CD1 3.33Å; G183-V227 VanDerWaalsContact CA-CG2 3.43Å
184Y77.1Confident83.6Confident67 Ų6750.8 Ų50.826%0.26326%0.262SS..Hα-helixtrans-60.4-41.5176.7-85.2-75.5000112.7S114 E180 P182 F186 Y187 F188S114-Y184 VanDerWaalsContact OG-CB 3.3Å; S114-Y184 WeakPolarHBondContact OG-CB 3.19Å; E180-Y184 VanDerWaalsContact O-CD2 3.31Å; E180-Y184 WeakPolarHBondContact O-CD2 3.2Å; E180-Y184 PolarHBondContact O-N 2.87Å; E180-Y184 VanDerWaalsContact O-N 3.15Å; P182-Y184 PolarHBondContact O-N 2.97Å; Y184-F186 PolarHBondContact O-N 3.21Å; Y184-Y187 PolarHBondContact O-N 3.38Å; Y184-F188 HydrophobicContact CD1-CD2 4.3Å; Y184-F188 AromaticContact CD1-CE2 3.7Å; Y184-F188 HydrophobicContact CD1-CE2 3.7Å; Y184-F188 HydrophobicContact CE1-CE2 4.46Å; Y184-F188 WeakPolarHBondContact O-CD2 3.25Å; Y184-F188 PolarHBondContact O-N 3.01Å
185F80.6Confident83.5Confident132 Ų13248.2 Ų48.258%0.57924%0.24SC*.Hα-helixtrans-58-48.4177.3-179.4-94.5000112.3V181 P182 G183 G189V181-F185 PolarHBondContact O-N 3.3Å; P182-F185 WeakPolarHBondContact O-CB 3.41Å; P182-F185 PolarHBondContact O-N 3.23Å; P182-F185 VanDerWaalsContact O-N 3.14Å; G183-F185 VanDerWaalsContact C-N 3.34Å; G183-F185 PolarHBondContact O-N 2.89Å; F185-G189 PolarHBondContact O-N 3.11Å
186F85.2Confident83.5Confident87 Ų8750.9 Ų50.938%0.38226%0.258SS..Hα-helixtrans-72.4-31179.4-76.1-77.4000113.2P182 G183 Y184 G190 V226P182-F186 HydrophobicContact CB-CD2 4.45Å; P182-F186 HydrophobicContact CB-CE2 4.5Å; P182-F186 VanDerWaalsContact O-CD2 3.23Å; P182-F186 WeakPolarHBondContact O-CD2 3.3Å; P182-F186 PolarHBondContact O-N 3.4Å; G183-F186 PolarHBondContact O-N 3.49Å; Y184-F186 PolarHBondContact O-N 3.21Å; F186-G190 PolarHBondContact O-N 2.98Å; F186-V226 HydrophobicContact CB-CG2 4.38Å; F186-V226 HydrophobicContact CD1-CG2 3.99Å; F186-V226 HydrophobicContact CD2-CB 4.02Å; F186-V226 HydrophobicContact CD2-CG1 3.68Å; F186-V226 HydrophobicContact CD2-CG2 3.84Å; F186-V226 HydrophobicContact CE1-CG2 4.2Å; F186-V226 HydrophobicContact CE2-CB 4.42Å; F186-V226 HydrophobicContact CE2-CG1 3.75Å; F186-V226 HydrophobicContact CE2-CG2 4.09Å; F186-V226 HydrophobicContact CG-CB 4.32Å; F186-V226 HydrophobicContact CG-CG1 4.45Å; F186-V226 HydrophobicContact CG-CG2 3.8Å; F186-V226 HydrophobicContact CZ-CG2 4.26Å
187Y85.8Confident83.5Confident79 Ų7958.1 Ų58.131%0.3129%0.29SS..Hα-helixtrans-60.6-56.4172.1-177.7-94000110.8G183 Y184 G189 G190 Y191 A219 L223G183-Y187 WeakPolarHBondContact O-CB 3.49Å; G183-Y187 PolarHBondContact O-N 3.47Å; Y184-Y187 PolarHBondContact O-N 3.38Å; Y187-G189 PolarHBondContact O-N 3.14Å; Y187-G190 PolarHBondContact O-N 3.15Å; Y187-Y191 WeakPolarHBondContact O-CB 3.28Å; Y187-Y191 PolarHBondContact O-N 2.95Å; Y187-A219 HydrophobicContact CD1-CB 4.5Å; Y187-A219 HydrophobicContact CD2-CB 3.8Å; Y187-A219 HydrophobicContact CE1-CB 4.45Å; Y187-A219 HydrophobicContact CE2-CB 3.75Å; Y187-A219 HydrophobicContact CG-CB 4.19Å; Y187-A219 WeakPolarHBondContact O-CB 3.34Å; Y187-L223 HydrophobicContact CD2-CB 4.1Å; Y187-L223 HydrophobicContact CD2-CD2 4.04Å
188F81.6Confident83.4Confident56 Ų5658.3 Ų58.325%0.24629%0.289CS..Hα-helixtrans-67.5-38.1-179.1-75.6-70.7000112.5A110 Y184 Y191 E192A110-F188 HydrophobicContact CB-CB 4.2Å; A110-F188 HydrophobicContact CB-CD1 4.12Å; A110-F188 HydrophobicContact CB-CD2 3.14Å; A110-F188 HydrophobicContact CB-CE1 4.28Å; A110-F188 HydrophobicContact CB-CE2 3.32Å; A110-F188 HydrophobicContact CB-CG 3.58Å; A110-F188 HydrophobicContact CB-CZ 3.91Å; Y184-F188 HydrophobicContact CD1-CD2 4.3Å; Y184-F188 AromaticContact CD1-CE2 3.7Å; Y184-F188 HydrophobicContact CD1-CE2 3.7Å; Y184-F188 HydrophobicContact CE1-CE2 4.46Å; Y184-F188 WeakPolarHBondContact O-CD2 3.25Å; Y184-F188 PolarHBondContact O-N 3.01Å; F188-Y191 PolarHBondContact O-N 3.42Å; F188-E192 WeakPolarHBondContact O-CB 3.29Å; F188-E192 PolarHBondContact O-N 3.37Å
189G83.8Confident83.3Confident29 Ų2955.1 Ų55.130%0.29927%0.273SS..Hα-helixtrans-58.7-48.3173.100000112F185 Y187 Y191 E192 L193F185-G189 PolarHBondContact O-N 3.11Å; Y187-G189 PolarHBondContact O-N 3.14Å; G189-Y191 VanDerWaalsContact C-N 3.35Å; G189-Y191 PolarHBondContact O-N 3.01Å; G189-E192 PolarHBondContact O-N 2.93Å; G189-L193 VanDerWaalsContact O-CB 3.31Å; G189-L193 WeakPolarHBondContact O-CB 3.45Å; G189-L193 WeakPolarHBondContact O-CG 3.39Å; G189-L193 PolarHBondContact O-N 3.2Å
190G85.6Confident82.9Confident7 Ų759.1 Ų59.17%0.07230%0.304CS..Hα-helixtrans-62.3-40.3175.800000112.9F186 Y187 S194F186-G190 PolarHBondContact O-N 2.98Å; Y187-G190 PolarHBondContact O-N 3.15Å; G190-S194 WeakPolarHBondContact O-CB 3.12Å; G190-S194 PolarHBondContact O-N 2.86Å
191Y85.4Confident82.3Confident55 Ų5561.9 Ų61.922%0.21634%0.34CS..Hα-helixtrans-61.9-51.4176.7-172.7-108.1000112.1Y187 F188 G189 S194 R195 A219Y187-Y191 WeakPolarHBondContact O-CB 3.28Å; Y187-Y191 PolarHBondContact O-N 2.95Å; F188-Y191 PolarHBondContact O-N 3.42Å; G189-Y191 VanDerWaalsContact C-N 3.35Å; G189-Y191 PolarHBondContact O-N 3.01Å; Y191-S194 PolarHBondContact O-N 3.27Å; Y191-R195 HydrophobicContact CE1-CG 4.3Å; Y191-R195 WeakPolarHBondContact O-CG 3.5Å; Y191-R195 PolarHBondContact O-N 2.99Å; Y191-A219 HydrophobicContact CD2-CB 4.31Å
192E82.7Confident82.1Confident38 Ų3867.9 Ų67.918%0.17835%0.354CS..Hα-helixtrans-70.8-36.7-176.5-78.6-57.812300113F188 G189 R195 S196 K204F188-E192 WeakPolarHBondContact O-CB 3.29Å; F188-E192 PolarHBondContact O-N 3.37Å; G189-E192 PolarHBondContact O-N 2.93Å; E192-R195 IonicContact OE1-CZ 3.52Å; E192-R195 IonicContact OE1-NH1 3.83Å; E192-R195 PolarHBondContact OE1-NH1 2.89Å; E192-S196 VanDerWaalsContact O-CB 3.31Å; E192-S196 WeakPolarHBondContact O-CB 3.42Å; E192-S196 PolarHBondContact O-N 3.11Å; E192-S196 PolarHBondContact O-OG 3.48Å; E192-K204 IonicContact OE2-NZ 3.36Å; E192-K204 PolarHBondContact OE2-NZ 3.5Å
193L86.2Confident81.9Confident130 Ų13068.8 Ų68.868%0.68136%0.362SS*.Hα-helixtrans-63.9-44.5173.2-72.7172000111.1G189 S196 F197G189-L193 VanDerWaalsContact O-CB 3.31Å; G189-L193 WeakPolarHBondContact O-CB 3.45Å; G189-L193 WeakPolarHBondContact O-CG 3.39Å; G189-L193 PolarHBondContact O-N 3.2Å; L193-S196 PolarHBondContact O-N 3.18Å; L193-F197 WeakPolarHBondContact O-CB 3.47Å; L193-F197 PolarHBondContact O-N 3.25Å
194S86.3Confident81.4Confident12 Ų1272.3 Ų72.38%0.08438%0.377CS..Hα-helixtrans-64.7-43.9178.2-165.50000111.9G190 Y191 S196 F197 F198 S215G190-S194 WeakPolarHBondContact O-CB 3.12Å; G190-S194 PolarHBondContact O-N 2.86Å; Y191-S194 PolarHBondContact O-N 3.27Å; S194-S196 VanDerWaalsContact C-N 3.34Å; S194-S196 PolarHBondContact O-N 2.92Å; S194-F197 WeakPolarHBondContact O-CB 3.41Å; S194-F197 PolarHBondContact O-N 3.25Å; S194-F198 WeakPolarHBondContact O-CD2 3.29Å; S194-F198 PolarHBondContact O-N 3.46Å; S194-F198 VanDerWaalsContact OG-CE2 3.26Å; S194-F198 WeakPolarHBondContact OG-CE2 3.43Å; S194-S215 WeakPolarHBondContact OG-CA 3.42Å
195R83.9Confident81.1Confident25 Ų2575.9 Ų75.99%0.09440%0.401CS..Hα-helixtrans-60.4-42.4172.9-75.618069.7-16611.7112.4D106 Y191 E192 F197 F198 A199 K204 L207D106-R195 IonicContact OD2-NH1 2.67Å; Y191-R195 HydrophobicContact CE1-CG 4.3Å; Y191-R195 WeakPolarHBondContact O-CG 3.5Å; Y191-R195 PolarHBondContact O-N 2.99Å; E192-R195 IonicContact OE1-CZ 3.52Å; E192-R195 IonicContact OE1-NH1 3.83Å; E192-R195 PolarHBondContact OE1-NH1 2.89Å; R195-F197 VanDerWaalsContact C-N 3.3Å; R195-F197 PolarHBondContact O-N 3.03Å; R195-F198 PolarHBondContact O-N 3.16Å; R195-A199 WeakPolarHBondContact O-CB 3.49Å; R195-A199 PolarHBondContact O-N 3.37Å; R195-K204 PolarHBondContact NH2-O 3.01Å; R195-L207 HydrophobicContact CB-CD2 4.34Å; R195-L207 HydrophobicContact CG-CD2 4.25Å
196S84.9Confident80.9Confident55 Ų5576.3 Ų76.339%0.38540%0.404SS..Hα-helixtrans-65.3-36.8179.5-56.60000111.6E192 L193 S194 S200 K204E192-S196 VanDerWaalsContact O-CB 3.31Å; E192-S196 WeakPolarHBondContact O-CB 3.42Å; E192-S196 PolarHBondContact O-N 3.11Å; E192-S196 PolarHBondContact O-OG 3.48Å; L193-S196 PolarHBondContact O-N 3.18Å; S194-S196 VanDerWaalsContact C-N 3.34Å; S194-S196 PolarHBondContact O-N 2.92Å; S196-S200 PolarHBondContact O-N 3.31Å; S196-K204 VanDerWaalsContact OG-CE 3.26Å; S196-K204 WeakPolarHBondContact OG-CE 3.42Å; S196-K204 PolarHBondContact OG-NZ 3.24Å
197F86.8Confident80.6Confident152 Ų15273.1 Ų73.167%0.66739%0.391SS*.Hα-helixtrans-64.1-51.3173.1-177.5-97000111.8L193 S194 R195 A199 S200L193-F197 WeakPolarHBondContact O-CB 3.47Å; L193-F197 PolarHBondContact O-N 3.25Å; S194-F197 WeakPolarHBondContact O-CB 3.41Å; S194-F197 PolarHBondContact O-N 3.25Å; R195-F197 VanDerWaalsContact C-N 3.3Å; R195-F197 PolarHBondContact O-N 3.03Å; F197-A199 VanDerWaalsContact C-N 3.33Å; F197-A199 PolarHBondContact O-N 3.18Å; F197-S200 PolarHBondContact O-N 2.87Å; F197-S200 PolarHBondContact O-OG 2.93Å
198F85.3Confident80.5Confident64 Ų6470.7 Ų70.728%0.28139%0.39SS..Hα-helixtrans-68.2-29.1179.4-69.8-52.7000113.9S194 R195 S200 L207 H211 L214 S215S194-F198 WeakPolarHBondContact O-CD2 3.29Å; S194-F198 PolarHBondContact O-N 3.46Å; S194-F198 VanDerWaalsContact OG-CE2 3.26Å; S194-F198 WeakPolarHBondContact OG-CE2 3.43Å; R195-F198 PolarHBondContact O-N 3.16Å; F198-S200 VanDerWaalsContact C-N 3.26Å; F198-S200 PolarHBondContact O-N 2.86Å; F198-L207 HydrophobicContact CB-CD2 3.78Å; F198-H211 HydrophobicContact CB-CB 4.28Å; F198-H211 AromaticContact CD1-CD2 3.67Å; F198-H211 HydrophobicContact CD2-CB 4.35Å; F198-H211 HydrophobicContact CG-CB 4.3Å; F198-H211 AromaticContact CG-CD2 3.82Å; F198-L214 HydrophobicContact CE2-CB 3.86Å; F198-L214 HydrophobicContact CZ-CB 3.96Å; F198-L214 HydrophobicContact CZ-CD1 4.04Å; F198-S215 WeakPolarHBondContact CD2-OG 3.27Å
199A82.8Confident80.7Confident9 Ų972.9 Ų72.97%0.07441%0.41CS..Hα-helixtrans-63.7-33.8174.600000111.5R195 F197 G201 R202 K204 L207R195-A199 WeakPolarHBondContact O-CB 3.49Å; R195-A199 PolarHBondContact O-N 3.37Å; F197-A199 VanDerWaalsContact C-N 3.33Å; F197-A199 PolarHBondContact O-N 3.18Å; A199-G201 PolarHBondContact O-N 3.12Å; A199-R202 WeakPolarHBondContact O-CB 3.38Å; A199-R202 PolarHBondContact O-N 3.26Å; A199-K204 HydrophobicContact CB-CG 4.42Å; A199-L207 HydrophobicContact CB-CD1 3.99Å
200S77.1Confident80.8Confident105 Ų10576 Ų7673%0.73442%0.423SS*.THydrogen-bonded Turntrans45.239.6175.4-70.80000113.9S196 F197 F198S196-S200 PolarHBondContact O-N 3.31Å; F197-S200 PolarHBondContact O-N 2.87Å; F197-S200 PolarHBondContact O-OG 2.93Å; F198-S200 VanDerWaalsContact C-N 3.26Å; F198-S200 PolarHBondContact O-N 2.86Å
201G69.5Low80.9Confident86 Ų8679.6 Ų79.689%0.88744%0.438SS*.THydrogen-bonded Turntrans92.7-0.6-178.600000116.4A199A199-G201 PolarHBondContact O-N 3.12Å
202R74.4Confident80.9Confident196 Ų19679.8 Ų79.874%0.7444%0.443SS*.SBendtrans-89.4170.3169.8-59.1-176.1-177.6177.60.5111.7A199A199-R202 WeakPolarHBondContact O-CB 3.38Å; A199-R202 PolarHBondContact O-N 3.26Å
203S74.3Confident81Confident60 Ų6084.9 Ų84.942%0.4247%0.468SS..  trans-65.1137.4174.7-177.20000111.1D205 E206S203-D205 PolarHBondContact O-N 2.97Å; S203-D205 VanDerWaalsContact O-N 3.11Å; S203-D205 PolarHBondContact OG-N 3.29Å; S203-E206 PolarHBondContact O-N 3.46Å; S203-E206 VanDerWaalsContact O-N 3.14Å
204K70.4Confident81.1Confident74 Ų7483 Ų8332%0.32246%0.458SS..THydrogen-bonded Turntrans-63.9-14.3178.1-69.8-176.1176.5-175.90113.7E192 R195 S196 A199 L207E192-K204 IonicContact OE2-NZ 3.36Å; E192-K204 PolarHBondContact OE2-NZ 3.5Å; R195-K204 PolarHBondContact NH2-O 3.01Å; S196-K204 VanDerWaalsContact OG-CE 3.26Å; S196-K204 WeakPolarHBondContact OG-CE 3.42Å; S196-K204 PolarHBondContact OG-NZ 3.24Å; A199-K204 HydrophobicContact CB-CG 4.42Å; K204-L207 VanDerWaalsContact CA-CD1 3.5Å; K204-L207 HydrophobicContact CB-CD1 4.45Å; K204-L207 VanDerWaalsContact O-CD1 3.27Å; K204-L207 WeakPolarHBondContact O-CD1 3.4Å
205D71.8Confident81.1Confident143 Ų14382.5 Ų82.577%0.76545%0.454SS*.THydrogen-bonded Turntrans-87.7-11.6-179.7-59.6-37.2000112.6S203S203-D205 PolarHBondContact O-N 2.97Å; S203-D205 VanDerWaalsContact O-N 3.11Å; S203-D205 PolarHBondContact OG-N 3.29Å
206E75.3Confident81.2Confident140 Ų14082.3 Ų82.365%0.65446%0.46SS*.SBendtrans-90.4-0.1177-64.6-179.417100113S203 G208S203-E206 PolarHBondContact O-N 3.46Å; S203-E206 VanDerWaalsContact O-N 3.14Å; E206-G208 PolarHBondContact O-N 3.25Å
207L78.4Confident81.3Confident20 Ų2081.5 Ų81.511%0.10546%0.461CS..  trans-67.2118.2179.4-8486.7000110.3R195 F198 A199 K204 H211 L212R195-L207 HydrophobicContact CB-CD2 4.34Å; R195-L207 HydrophobicContact CG-CD2 4.25Å; F198-L207 HydrophobicContact CB-CD2 3.78Å; A199-L207 HydrophobicContact CB-CD1 3.99Å; K204-L207 VanDerWaalsContact CA-CD1 3.5Å; K204-L207 HydrophobicContact CB-CD1 4.45Å; K204-L207 VanDerWaalsContact O-CD1 3.27Å; K204-L207 WeakPolarHBondContact O-CD1 3.4Å; L207-H211 HydrophobicContact CB-CB 4.32Å; L207-H211 HydrophobicContact CD2-CB 3.82Å; L207-H211 HydrophobicContact CG-CB 4.28Å; L207-L212 HydrophobicContact CB-CD2 4.08Å; L207-L212 HydrophobicContact CB-CG 4.24Å
208G84.6Confident81.3Confident29 Ų2977.1 Ų77.130%0.29945%0.447SS..  trans-63.1162.7173.800000113.1E206 V210 H211 L212E206-G208 PolarHBondContact O-N 3.25Å; G208-V210 PolarHBondContact O-N 2.95Å; G208-H211 PolarHBondContact O-N 3.01Å; G208-L212 PolarHBondContact O-N 3.46Å
209P85.5Confident81.4Confident101 Ų10174.1 Ų74.166%0.65643%0.433SS*.Hα-helixtrans-52.3-36.7-174.7-28.134.6000114.5L212 M213P209-L212 PolarHBondContact O-N 3.32Å; P209-M213 WeakPolarHBondContact O-CB 3.39Å; P209-M213 VanDerWaalsContact O-CG 3.25Å; P209-M213 WeakPolarHBondContact O-CG 3.35Å; P209-M213 PolarHBondContact O-N 2.94Å
210V86.8Confident81.6Confident96 Ų9674.5 Ų74.558%0.58244%0.438SS*.Hα-helixtrans-63.1-44.7179.9178.40000111.9G208 L212 M213 L214G208-V210 PolarHBondContact O-N 2.95Å; V210-L212 VanDerWaalsContact C-N 3.34Å; V210-L212 PolarHBondContact O-N 3.19Å; V210-M213 PolarHBondContact O-N 3.28Å; V210-L214 HydrophobicContact CG1-CD1 4.32Å; V210-L214 WeakPolarHBondContact O-CG 3.47Å; V210-L214 PolarHBondContact O-N 3.45Å
211H85.9Confident82Confident82 Ų8274 Ų7438%0.3843%0.427SS..Hα-helixtrans-69.7-34.2-180-60.898.9000111.6F198 L207 G208 L214 S215F198-H211 HydrophobicContact CB-CB 4.28Å; F198-H211 AromaticContact CD1-CD2 3.67Å; F198-H211 HydrophobicContact CD2-CB 4.35Å; F198-H211 HydrophobicContact CG-CB 4.3Å; F198-H211 AromaticContact CG-CD2 3.82Å; L207-H211 HydrophobicContact CB-CB 4.32Å; L207-H211 HydrophobicContact CD2-CB 3.82Å; L207-H211 HydrophobicContact CG-CB 4.28Å; G208-H211 PolarHBondContact O-N 3.01Å; H211-L214 PolarHBondContact O-N 3.48Å; H211-S215 WeakPolarHBondContact O-CB 3.31Å; H211-S215 PolarHBondContact O-N 2.83Å; H211-S215 PolarHBondContact O-OG 2.88Å
212L85.4Confident82.9Confident59 Ų5971.9 Ų71.931%0.30940%0.397SS..Hα-helixtrans-65.4-42172.5-64.6175.2000111.4L207 G208 P209 V210 S215 G216L207-L212 HydrophobicContact CB-CD2 4.08Å; L207-L212 HydrophobicContact CB-CG 4.24Å; G208-L212 PolarHBondContact O-N 3.46Å; P209-L212 PolarHBondContact O-N 3.32Å; V210-L212 VanDerWaalsContact C-N 3.34Å; V210-L212 PolarHBondContact O-N 3.19Å; L212-S215 PolarHBondContact O-N 2.87Å; L212-G216 PolarHBondContact O-N 3.39Å
213M85.3Confident83.6Confident144 Ų14464.4 Ų64.471%0.70937%0.372SS*.Hα-helixtrans-62-45.9174.8-73174.770.700112P209 V210 S215 G216 G217P209-M213 WeakPolarHBondContact O-CB 3.39Å; P209-M213 VanDerWaalsContact O-CG 3.25Å; P209-M213 WeakPolarHBondContact O-CG 3.35Å; P209-M213 PolarHBondContact O-N 2.94Å; V210-M213 PolarHBondContact O-N 3.28Å; M213-S215 VanDerWaalsContact C-N 3.33Å; M213-S215 PolarHBondContact O-N 3.45Å; M213-G216 PolarHBondContact O-N 3.49Å; M213-G217 PolarHBondContact O-N 2.98Å
214L87.9Confident84.2Confident92 Ų9264.3 Ų64.348%0.48236%0.362SS..Hα-helixtrans-63-40.7175.8-69.5175.7000111.6F198 V210 H211 G216 G217 V218F198-L214 HydrophobicContact CE2-CB 3.86Å; F198-L214 HydrophobicContact CZ-CB 3.96Å; F198-L214 HydrophobicContact CZ-CD1 4.04Å; V210-L214 HydrophobicContact CG1-CD1 4.32Å; V210-L214 WeakPolarHBondContact O-CG 3.47Å; V210-L214 PolarHBondContact O-N 3.45Å; H211-L214 PolarHBondContact O-N 3.48Å; L214-G216 PolarHBondContact O-N 3.46Å; L214-G217 PolarHBondContact O-N 3.03Å; L214-V218 WeakPolarHBondContact O-CG2 3.45Å; L214-V218 PolarHBondContact O-N 3.37Å
215S86.6Confident85Confident0 Ų064.8 Ų64.80%037%0.368CS..Hα-helixtrans-62.3-42.4175.6-57.80000111.9S194 F198 H211 L212 M213 G217 V218 A219S194-S215 WeakPolarHBondContact OG-CA 3.42Å; F198-S215 WeakPolarHBondContact CD2-OG 3.27Å; H211-S215 WeakPolarHBondContact O-CB 3.31Å; H211-S215 PolarHBondContact O-N 2.83Å; H211-S215 PolarHBondContact O-OG 2.88Å; L212-S215 PolarHBondContact O-N 2.87Å; M213-S215 VanDerWaalsContact C-N 3.33Å; M213-S215 PolarHBondContact O-N 3.45Å; S215-G217 VanDerWaalsContact C-N 3.34Å; S215-V218 PolarHBondContact O-N 3.43Å; S215-A219 WeakPolarHBondContact O-CB 3.22Å; S215-A219 PolarHBondContact O-N 3.32Å
216G85.9Confident85.8Confident21 Ų2160.6 Ų60.622%0.21635%0.348CS..Hα-helixtrans-63-38172.600000112.9L212 M213 L214 A219 G220L212-G216 PolarHBondContact O-N 3.39Å; M213-G216 PolarHBondContact O-N 3.49Å; L214-G216 PolarHBondContact O-N 3.46Å; G216-A219 WeakPolarHBondContact O-CB 3.45Å; G216-A219 PolarHBondContact O-N 3.01Å; G216-G220 PolarHBondContact O-N 3.21Å
217G86.9Confident86.4Confident39 Ų3954.3 Ų54.340%0.40232%0.318SS..Hα-helixtrans-62.1-47.917400000112.7M213 L214 S215 G220 I221M213-G217 PolarHBondContact O-N 2.98Å; L214-G217 PolarHBondContact O-N 3.03Å; S215-G217 VanDerWaalsContact C-N 3.34Å; G217-G220 PolarHBondContact O-N 2.89Å; G217-I221 WeakPolarHBondContact O-CG1 3.2Å; G217-I221 PolarHBondContact O-N 3.48Å
218V87.9Confident87Confident60 Ų6053.3 Ų53.336%0.36431%0.313SS..Hα-helixtrans-61.2-45.1175.8173.30000110.9L214 S215 G220 I221 C222L214-V218 WeakPolarHBondContact O-CG2 3.45Å; L214-V218 PolarHBondContact O-N 3.37Å; S215-V218 PolarHBondContact O-N 3.43Å; V218-G220 VanDerWaalsContact C-N 3.32Å; V218-G220 PolarHBondContact O-N 2.94Å; V218-I221 PolarHBondContact O-N 3.33Å; V218-I221 VanDerWaalsContact O-N 3.17Å; V218-C222 PolarHBondContact O-N 2.86Å; V218-C222 PolarHBondContact O-SG 2.94Å; V218-C222 VanDerWaalsContact O-SG 3.37Å
219A86.9Confident87.3Confident0 Ų053 Ų530%031%0.306CS..Hα-helixtrans-54.9-46.6174.600000112.2Y187 Y191 S215 G216 C222 L223Y187-A219 HydrophobicContact CD1-CB 4.5Å; Y187-A219 HydrophobicContact CD2-CB 3.8Å; Y187-A219 HydrophobicContact CE1-CB 4.45Å; Y187-A219 HydrophobicContact CE2-CB 3.75Å; Y187-A219 HydrophobicContact CG-CB 4.19Å; Y187-A219 WeakPolarHBondContact O-CB 3.34Å; Y191-A219 HydrophobicContact CD2-CB 4.31Å; S215-A219 WeakPolarHBondContact O-CB 3.22Å; S215-A219 PolarHBondContact O-N 3.32Å; G216-A219 WeakPolarHBondContact O-CB 3.45Å; G216-A219 PolarHBondContact O-N 3.01Å; A219-C222 PolarHBondContact O-N 3.47Å; A219-L223 WeakPolarHBondContact O-CB 3.26Å; A219-L223 PolarHBondContact O-N 2.87Å
220G86.1Confident87.5Confident17 Ų1749.2 Ų49.218%0.17528%0.281CS..Hα-helixtrans-61.4-43.2176.100000112.8G216 G217 V218 L223 W224G216-G220 PolarHBondContact O-N 3.21Å; G217-G220 PolarHBondContact O-N 2.89Å; V218-G220 VanDerWaalsContact C-N 3.32Å; V218-G220 PolarHBondContact O-N 2.94Å; G220-L223 WeakPolarHBondContact O-CB 3.45Å; G220-L223 PolarHBondContact O-N 2.77Å; G220-W224 PolarHBondContact O-N 2.74Å
221I87.2Confident87.6Confident96 Ų9644.8 Ų44.849%0.49225%0.254SS..Hα-helixtrans-62.5-47.5177-67.6165.7000110.5G217 V218 L223 W224 L225G217-I221 WeakPolarHBondContact O-CG1 3.2Å; G217-I221 PolarHBondContact O-N 3.48Å; V218-I221 PolarHBondContact O-N 3.33Å; V218-I221 VanDerWaalsContact O-N 3.17Å; I221-L223 VanDerWaalsContact C-N 3.35Å; I221-L223 PolarHBondContact O-N 3.18Å; I221-W224 PolarHBondContact O-N 2.94Å; I221-L225 HydrophobicContact CG2-CD1 3.79Å; I221-L225 HydrophobicContact CG2-CG 4.22Å; I221-L225 WeakPolarHBondContact O-CB 3.31Å; I221-L225 VanDerWaalsContact O-CG 3.27Å; I221-L225 WeakPolarHBondContact O-CG 3.3Å; I221-L225 PolarHBondContact O-N 3.01Å
222C87.6Confident87.8Confident40 Ų4040.9 Ų40.927%0.2724%0.236SC..Hα-helixtrans-58.8-45.7177.6-69.30000112.1V218 A219 L225 V226V218-C222 PolarHBondContact O-N 2.86Å; V218-C222 PolarHBondContact O-SG 2.94Å; V218-C222 VanDerWaalsContact O-SG 3.37Å; A219-C222 PolarHBondContact O-N 3.47Å; C222-L225 PolarHBondContact O-N 2.98Å; C222-V226 PolarHBondContact O-N 2.98Å
223L89.2Confident88.1Confident40 Ų4038.1 Ų38.121%0.20922%0.221CC..Hα-helixtrans-54-57.7173.9170.274.7000110.9G183 Y187 A219 G220 I221 L225 V226 V227G183-L223 WeakPolarHBondContact O-CD1 3.33Å; Y187-L223 HydrophobicContact CD2-CB 4.1Å; Y187-L223 HydrophobicContact CD2-CD2 4.04Å; A219-L223 WeakPolarHBondContact O-CB 3.26Å; A219-L223 PolarHBondContact O-N 2.87Å; G220-L223 WeakPolarHBondContact O-CB 3.45Å; G220-L223 PolarHBondContact O-N 2.77Å; I221-L223 VanDerWaalsContact C-N 3.35Å; I221-L223 PolarHBondContact O-N 3.18Å; L223-L225 VanDerWaalsContact C-N 3.34Å; L223-L225 PolarHBondContact O-N 3.48Å; L223-V226 PolarHBondContact O-N 3.48Å; L223-V227 HydrophobicContact CD1-CG2 3.79Å; L223-V227 HydrophobicContact CG-CG2 4.41Å; L223-V227 VanDerWaalsContact O-CB 3.3Å; L223-V227 WeakPolarHBondContact O-CB 3.27Å; L223-V227 WeakPolarHBondContact O-CG2 3.2Å; L223-V227 PolarHBondContact O-N 2.88Å
224W87.8Confident88.3Confident57 Ų5731.3 Ų31.322%0.21619%0.188CC..Hα-helixtrans-65.2-36.9-174.5-75.1112.6000112G220 I221 V226 V227 F228 L269 T272 M273G220-W224 PolarHBondContact O-N 2.74Å; I221-W224 PolarHBondContact O-N 2.94Å; W224-V226 VanDerWaalsContact C-N 3.27Å; W224-V226 PolarHBondContact O-N 3.43Å; W224-V227 PolarHBondContact O-N 3.27Å; W224-F228 HydrophobicContact CE3-CD2 4.11Å; W224-F228 WeakPolarHBondContact O-CB 3.44Å; W224-F228 PolarHBondContact O-N 3.31Å; W224-L269 HydrophobicContact CB-CD1 4.37Å; W224-T272 HydrophobicContact CD2-CG2 3.97Å; W224-T272 HydrophobicContact CE3-CG2 3.93Å; W224-T272 HydrophobicContact CH2-CG2 3.59Å; W224-T272 HydrophobicContact CZ2-CG2 3.61Å; W224-T272 HydrophobicContact CZ3-CG2 3.75Å; W224-M273 HydrophobicContact CB-CE 4.08Å; W224-M273 VanDerWaalsContact CD1-CE 3.49Å; W224-M273 HydrophobicContact CD2-CE 4.15Å; W224-M273 HydrophobicContact CG-CE 3.64Å
225L86.9Confident88.2Confident85 Ų8527 Ų2745%0.44517%0.166SC..Hα-helixtrans-60-36.4178.4-75.2173.5000113.5I221 C222 L223 Y266I221-L225 HydrophobicContact CG2-CD1 3.79Å; I221-L225 HydrophobicContact CG2-CG 4.22Å; I221-L225 WeakPolarHBondContact O-CB 3.31Å; I221-L225 VanDerWaalsContact O-CG 3.27Å; I221-L225 WeakPolarHBondContact O-CG 3.3Å; I221-L225 PolarHBondContact O-N 3.01Å; C222-L225 PolarHBondContact O-N 2.98Å; L223-L225 VanDerWaalsContact C-N 3.34Å; L223-L225 PolarHBondContact O-N 3.48Å; L225-Y266 PolarHBondContact O-OH 2.9Å; L225-Y266 VanDerWaalsContact O-OH 3.07Å
226V87Confident88.2Confident55 Ų5527.5 Ų27.533%0.33317%0.168SC..Hα-helixtrans-86.3-40.1-179.4177.30000112.1F186 C222 L223 W224 P229F186-V226 HydrophobicContact CB-CG2 4.38Å; F186-V226 HydrophobicContact CD1-CG2 3.99Å; F186-V226 HydrophobicContact CD2-CB 4.02Å; F186-V226 HydrophobicContact CD2-CG1 3.68Å; F186-V226 HydrophobicContact CD2-CG2 3.84Å; F186-V226 HydrophobicContact CE1-CG2 4.2Å; F186-V226 HydrophobicContact CE2-CB 4.42Å; F186-V226 HydrophobicContact CE2-CG1 3.75Å; F186-V226 HydrophobicContact CE2-CG2 4.09Å; F186-V226 HydrophobicContact CG-CB 4.32Å; F186-V226 HydrophobicContact CG-CG1 4.45Å; F186-V226 HydrophobicContact CG-CG2 3.8Å; F186-V226 HydrophobicContact CZ-CG2 4.26Å; C222-V226 PolarHBondContact O-N 2.98Å; L223-V226 PolarHBondContact O-N 3.48Å; W224-V226 VanDerWaalsContact C-N 3.27Å; W224-V226 PolarHBondContact O-N 3.43Å; V226-P229 WeakPolarHBondContact O-CD 3.37Å
227V89.4Confident88.3Confident7 Ų727.1 Ų27.14%0.04216%0.16CC..Hα-helixtrans-76.7-33.1-174.81670000112.2Q179 G183 L223 W224 V230 D231Q179-V227 HydrophobicContact CB-CG1 4.26Å; Q179-V227 HydrophobicContact CG-CG1 3.51Å; G183-V227 VanDerWaalsContact CA-CG2 3.43Å; L223-V227 HydrophobicContact CD1-CG2 3.79Å; L223-V227 HydrophobicContact CG-CG2 4.41Å; L223-V227 VanDerWaalsContact O-CB 3.3Å; L223-V227 WeakPolarHBondContact O-CB 3.27Å; L223-V227 WeakPolarHBondContact O-CG2 3.2Å; L223-V227 PolarHBondContact O-N 2.88Å; W224-V227 PolarHBondContact O-N 3.27Å; V227-V230 WeakPolarHBondContact O-CB 3.43Å; V227-V230 PolarHBondContact O-N 2.86Å; V227-D231 HydrophobicContact CG1-CB 4.43Å; V227-D231 PolarHBondContact O-N 3.33Å
228F89.6Confident88.2Confident0 Ų025.3 Ų25.30%014%0.141CC..Hα-helixtrans-61-38.4-168.5-158.7-82.2000114.5W224 V230 D231 C232 L265 Y266 S267 G268 L269W224-F228 HydrophobicContact CE3-CD2 4.11Å; W224-F228 WeakPolarHBondContact O-CB 3.44Å; W224-F228 PolarHBondContact O-N 3.31Å; F228-V230 VanDerWaalsContact C-N 3.35Å; F228-V230 PolarHBondContact O-N 2.89Å; F228-D231 PolarHBondContact O-N 3.22Å; F228-C232 PolarHBondContact O-N 2.85Å; F228-L265 WeakPolarHBondContact CD1-O 3.43Å; F228-L265 WeakPolarHBondContact CE1-O 3.21Å; F228-Y266 HydrophobicContact CB-CD1 4.27Å; F228-Y266 HydrophobicContact CB-CE1 4.35Å; F228-Y266 HydrophobicContact CD1-CD1 4.05Å; F228-Y266 HydrophobicContact CG-CD1 4.44Å; F228-S267 WeakPolarHBondContact CE1-O 3.17Å; F228-S267 WeakPolarHBondContact CZ-O 3.42Å; F228-G268 VanDerWaalsContact CZ-C 3.41Å; F228-L269 HydrophobicContact CD1-CB 4.38Å; F228-L269 HydrophobicContact CD2-CB 4.27Å; F228-L269 HydrophobicContact CD2-CD1 3.68Å; F228-L269 HydrophobicContact CE1-CB 4.11Å; F228-L269 VanDerWaalsContact CE2-CA 3.47Å; F228-L269 HydrophobicContact CE2-CB 3.98Å; F228-L269 HydrophobicContact CE2-CD1 4.05Å; F228-L269 HydrophobicContact CG-CB 4.47Å; F228-L269 HydrophobicContact CG-CD1 4.11Å; F228-L269 VanDerWaalsContact CZ-CA 3.47Å; F228-L269 HydrophobicContact CZ-CB 3.92Å
229P90.8Very high87.9Confident22 Ų2222.4 Ų22.414%0.14312%0.124CC..Hα-helixtrans-57.8-43.5170.2-27.436.2000113.7V226 D231 C232 I233 L265 Y266V226-P229 WeakPolarHBondContact O-CD 3.37Å; P229-D231 VanDerWaalsContact C-N 3.34Å; P229-C232 PolarHBondContact O-N 3.48Å; P229-I233 WeakPolarHBondContact O-CG1 3.38Å; P229-I233 PolarHBondContact O-N 2.8Å; P229-L265 HydrophobicContact CB-CB 4.15Å; P229-L265 HydrophobicContact CB-CD1 4.31Å; P229-L265 HydrophobicContact CG-CB 4.47Å; P229-Y266 HydrophobicContact CG-CE1 4.06Å; P229-Y266 HydrophobicContact CG-CE2 4.14Å; P229-Y266 WeakPolarHBondContact CG-OH 3.31Å
230V91.3Very high87.6Confident21 Ų2124 Ų2413%0.12713%0.132CC..Hα-helixtrans-65.2-42.7179.1-175.70000110.2S175 L178 Q179 V227 F228 I233 K234 F249S175-V230 VanDerWaalsContact O-CG1 3.31Å; S175-V230 WeakPolarHBondContact O-CG1 3.27Å; L178-V230 HydrophobicContact CB-CG1 4.23Å; L178-V230 HydrophobicContact CD2-CG1 4.35Å; L178-V230 HydrophobicContact CG-CG1 4.28Å; Q179-V230 HydrophobicContact CB-CB 4.24Å; Q179-V230 HydrophobicContact CB-CG1 3.73Å; V227-V230 WeakPolarHBondContact O-CB 3.43Å; V227-V230 PolarHBondContact O-N 2.86Å; F228-V230 VanDerWaalsContact C-N 3.35Å; F228-V230 PolarHBondContact O-N 2.89Å; V230-I233 PolarHBondContact O-N 3.07Å; V230-K234 WeakPolarHBondContact O-CB 3.26Å; V230-K234 PolarHBondContact O-N 3.13Å; V230-F249 HydrophobicContact CB-CE2 4.42Å; V230-F249 HydrophobicContact CB-CZ 4.5Å; V230-F249 HydrophobicContact CG1-CE2 3.83Å; V230-F249 HydrophobicContact CG1-CZ 4.19Å; V230-F249 HydrophobicContact CG2-CZ 4.26Å
231D89.3Confident87.2Confident4 Ų423.5 Ų23.52%0.02113%0.126CC..Hα-helixtrans-63.5-39.4177.8176101.2000112.6K34 Q38 V227 F228 P229 K234 S235K34-D231 WeakPolarHBondContact CE-OD2 3.25Å; K34-D231 IonicContact NZ-OD1 2.93Å; K34-D231 PolarHBondContact NZ-OD1 2.82Å; K34-D231 IonicContact NZ-OD2 3.89Å; K34-D231 PolarHBondContact NZ-OD2 3.28Å; Q38-D231 PolarHBondContact NE2-OD2 3.47Å; Q38-D231 PolarHBondContact OE1-OD2 3.41Å; V227-D231 HydrophobicContact CG1-CB 4.43Å; V227-D231 PolarHBondContact O-N 3.33Å; F228-D231 PolarHBondContact O-N 3.22Å; P229-D231 VanDerWaalsContact C-N 3.34Å; D231-K234 PolarHBondContact O-N 3.48Å; D231-S235 PolarHBondContact O-N 3.38Å; D231-S235 PolarHBondContact O-OG 2.87Å; D231-S235 VanDerWaalsContact O-OG 3.13Å
232C89.2Confident86.5Confident0 Ų020.4 Ų20.40%011%0.11CC..Hα-helixtrans-62.4-45.3174.1-175.40000111.7Q38 F228 P229 R236 L265Q38-C232 HydrophobicContact CG-CB 4.41Å; F228-C232 PolarHBondContact O-N 2.85Å; P229-C232 PolarHBondContact O-N 3.48Å; C232-R236 WeakPolarHBondContact O-CG 3.46Å; C232-R236 PolarHBondContact O-N 3.24Å; C232-L265 VanDerWaalsContact CB-O 3.29Å; C232-L265 WeakPolarHBondContact CB-O 3.2Å
233I90.6Very high85.7Confident0 Ų025.6 Ų25.60%013%0.125CC..Hα-helixtrans-66.4-41.4177.4-62.1-53.8000111.5P229 V230 R236 I237 F249 T252 L253 V256 L265P229-I233 WeakPolarHBondContact O-CG1 3.38Å; P229-I233 PolarHBondContact O-N 2.8Å; V230-I233 PolarHBondContact O-N 3.07Å; I233-R236 PolarHBondContact O-N 3.25Å; I233-I237 HydrophobicContact CG2-CD1 3.77Å; I233-I237 HydrophobicContact CG2-CG1 4.4Å; I233-I237 WeakPolarHBondContact O-CG1 3.34Å; I233-I237 PolarHBondContact O-N 2.86Å; I233-F249 HydrophobicContact CB-CD2 4.16Å; I233-F249 HydrophobicContact CB-CE2 3.77Å; I233-F249 HydrophobicContact CG1-CE2 4.38Å; I233-F249 HydrophobicContact CG2-CD2 3.47Å; I233-F249 VanDerWaalsContact CG2-CD2 3.47Å; I233-F249 HydrophobicContact CG2-CE2 3.61Å; I233-F249 HydrophobicContact CG2-CG 4.27Å; I233-F249 HydrophobicContact CG2-CZ 4.49Å; I233-T252 HydrophobicContact CD1-CG2 4.21Å; I233-T252 HydrophobicContact CG2-CG2 3.94Å; I233-L253 HydrophobicContact CD1-CB 4.31Å; I233-L253 HydrophobicContact CD1-CD1 4.18Å; I233-L253 HydrophobicContact CG1-CB 4.31Å; I233-L253 HydrophobicContact CG1-CD1 4.01Å; I233-V256 HydrophobicContact CD1-CB 4.11Å; I233-V256 HydrophobicContact CD1-CG2 3.85Å; I233-L265 HydrophobicContact CD1-CD2 3.72Å; I233-L265 HydrophobicContact CG1-CD2 4.09Å
234K89.7Confident84.7Confident1 Ų125 Ų250%0.00413%0.128CC..Hα-helixtrans-57-51.8175.6177.5-172171.8-172.20111.4E128 T176 V230 D231 R236 I237 Q238E128-K234 VanDerWaalsContact CD-CE 3.49Å; E128-K234 WeakPolarHBondContact OE1-CE 3.25Å; E128-K234 IonicContact OE1-NZ 2.79Å; E128-K234 PolarHBondContact OE1-NZ 3.35Å; E128-K234 WeakPolarHBondContact OE2-CE 3.32Å; E128-K234 IonicContact OE2-NZ 2.65Å; E128-K234 PolarHBondContact OE2-NZ 2.86Å; T176-K234 WeakPolarHBondContact OG1-CE 3.32Å; V230-K234 WeakPolarHBondContact O-CB 3.26Å; V230-K234 PolarHBondContact O-N 3.13Å; D231-K234 PolarHBondContact O-N 3.48Å; K234-R236 VanDerWaalsContact C-N 3.27Å; K234-R236 PolarHBondContact O-N 3.4Å; K234-I237 PolarHBondContact O-N 2.81Å; K234-I237 VanDerWaalsContact O-N 3.13Å; K234-Q238 HydrophobicContact CG-CG 4.41Å; K234-Q238 WeakPolarHBondContact O-CB 3.23Å; K234-Q238 WeakPolarHBondContact O-CG 3.27Å; K234-Q238 PolarHBondContact O-N 3.42Å
235S86.6Confident83.3Confident2 Ų232.7 Ų32.71%0.01416%0.163CC..Hα-helixtrans-57.4-41.7179.5-66.70000111.6Q38 D231 Q238 V239Q38-S235 PolarHBondContact OE1-OG 3.17Å; D231-S235 PolarHBondContact O-N 3.38Å; D231-S235 PolarHBondContact O-OG 2.87Å; D231-S235 VanDerWaalsContact O-OG 3.13Å; S235-Q238 PolarHBondContact O-N 3.4Å; S235-V239 WeakPolarHBondContact O-CB 3.32Å; S235-V239 VanDerWaalsContact O-CG2 3.27Å; S235-V239 WeakPolarHBondContact O-CG2 3.41Å; S235-V239 PolarHBondContact O-N 3.42Å
236R87.4Confident82.2Confident11 Ų1132.3 Ų32.34%0.04216%0.159CC..Hα-helixtrans-64.4-44.5175.5-71.4174.6-178.2-109.63.1112.6Q38 C232 I233 K234 V239 L240 T252 E260Q38-R236 WeakPolarHBondContact O-CG 3.49Å; Q38-R236 PolarHBondContact O-NE 3.47Å; Q38-R236 PolarHBondContact O-NH2 3.46Å; C232-R236 WeakPolarHBondContact O-CG 3.46Å; C232-R236 PolarHBondContact O-N 3.24Å; I233-R236 PolarHBondContact O-N 3.25Å; K234-R236 VanDerWaalsContact C-N 3.27Å; K234-R236 PolarHBondContact O-N 3.4Å; R236-V239 PolarHBondContact O-N 3.33Å; R236-L240 HydrophobicContact CB-CD1 4.12Å; R236-L240 WeakPolarHBondContact O-CA 3.42Å; R236-L240 WeakPolarHBondContact O-CB 3.17Å; R236-L240 VanDerWaalsContact O-CG 3.23Å; R236-L240 WeakPolarHBondContact O-CG 3.14Å; R236-L240 PolarHBondContact O-N 3.35Å; R236-T252 HydrophobicContact CB-CG2 4.22Å; R236-E260 IonicContact CZ-OE1 3.95Å; R236-E260 IonicContact CZ-OE2 3.28Å; R236-E260 IonicContact NH1-OE1 2.62Å; R236-E260 PolarHBondContact NH1-OE1 3.34Å; R236-E260 IonicContact NH1-OE2 2.77Å; R236-E260 PolarHBondContact NH1-OE2 3.04Å; R236-E260 IonicContact NH2-OE1 2.71Å; R236-E260 IonicContact NH2-OE2 2.71Å; R236-E260 PolarHBondContact NH2-OE2 3.49Å
237I86.8Confident81Confident13 Ų1332.2 Ų32.27%0.06716%0.164CC..Hα-helixtrans-62.5-45.8177.6-69.7168.3000110.7I233 K234 V239 S241 F249 T252I233-I237 HydrophobicContact CG2-CD1 3.77Å; I233-I237 HydrophobicContact CG2-CG1 4.4Å; I233-I237 WeakPolarHBondContact O-CG1 3.34Å; I233-I237 PolarHBondContact O-N 2.86Å; K234-I237 PolarHBondContact O-N 2.81Å; K234-I237 VanDerWaalsContact O-N 3.13Å; I237-V239 VanDerWaalsContact C-N 3.29Å; I237-V239 PolarHBondContact O-N 2.88Å; I237-S241 VanDerWaalsContact O-CB 3.23Å; I237-S241 WeakPolarHBondContact O-CB 3.2Å; I237-S241 PolarHBondContact O-N 3.49Å; I237-S241 PolarHBondContact O-OG 2.99Å; I237-F249 HydrophobicContact CD1-CB 4.47Å; I237-T252 HydrophobicContact CG1-CG2 4.18Å
238Q84.2Confident80.5Confident0 Ų034.4 Ų34.40%019%0.188CC..Hα-helixtrans-62.4-36.7-179-76.2-175.9-28.300112.5L129 R133 K234 S235 S241L129-Q238 HydrophobicContact CD1-CB 3.61Å; L129-Q238 HydrophobicContact CD1-CG 3.75Å; L129-Q238 VanDerWaalsContact CD1-O 3.3Å; L129-Q238 WeakPolarHBondContact CD1-O 3.26Å; R133-Q238 PolarHBondContact NE-O 2.99Å; R133-Q238 VanDerWaalsContact NE-O 3.12Å; K234-Q238 HydrophobicContact CG-CG 4.41Å; K234-Q238 WeakPolarHBondContact O-CB 3.23Å; K234-Q238 WeakPolarHBondContact O-CG 3.27Å; K234-Q238 PolarHBondContact O-N 3.42Å; S235-Q238 PolarHBondContact O-N 3.4Å; Q238-S241 PolarHBondContact O-OG 2.93Å
239V82.1Confident80.3Confident0 Ų036.2 Ų36.20%020%0.196CC..Hα-helixtrans-89.7-47.4-178.3174.40000112.6T39 C132 T136 M140 S235 R236 I237 S241 M242T39-V239 HydrophobicContact CG2-CB 3.94Å; T39-V239 HydrophobicContact CG2-CG1 3.41Å; T39-V239 VanDerWaalsContact CG2-CG1 3.41Å; C132-V239 HydrophobicContact CB-CG2 3.99Å; T136-V239 HydrophobicContact CG2-CG1 4.09Å; T136-V239 HydrophobicContact CG2-CG2 3.95Å; T136-V239 VanDerWaalsContact OG1-CG1 3.23Å; T136-V239 WeakPolarHBondContact OG1-CG1 3.24Å; M140-V239 HydrophobicContact CE-CG1 3.24Å; S235-V239 WeakPolarHBondContact O-CB 3.32Å; S235-V239 VanDerWaalsContact O-CG2 3.27Å; S235-V239 WeakPolarHBondContact O-CG2 3.41Å; S235-V239 PolarHBondContact O-N 3.42Å; R236-V239 PolarHBondContact O-N 3.33Å; I237-V239 VanDerWaalsContact C-N 3.29Å; I237-V239 PolarHBondContact O-N 2.88Å; V239-S241 VanDerWaalsContact C-N 3.26Å; V239-S241 PolarHBondContact O-N 2.9Å; V239-M242 WeakPolarHBondContact O-CB 3.33Å; V239-M242 WeakPolarHBondContact O-CG 3.34Å; V239-M242 PolarHBondContact O-N 2.83Å
240L80.3Confident80.2Confident34 Ų3441 Ų4118%0.17822%0.22CC..Hα-helixtrans-71.3-18.8-176.8-62.9174.5000113.4M140 R236 M242 Y243 Q246M140-L240 HydrophobicContact CE-CD2 4Å; R236-L240 HydrophobicContact CB-CD1 4.12Å; R236-L240 WeakPolarHBondContact O-CA 3.42Å; R236-L240 WeakPolarHBondContact O-CB 3.17Å; R236-L240 VanDerWaalsContact O-CG 3.23Å; R236-L240 WeakPolarHBondContact O-CG 3.14Å; R236-L240 PolarHBondContact O-N 3.35Å; L240-M242 PolarHBondContact O-N 3.48Å; L240-Y243 PolarHBondContact O-N 3.47Å; L240-Q246 HydrophobicContact CB-CG 3.8Å; L240-Q246 PolarHBondContact O-NE2 3.49Å
241S78.4Confident80Confident6 Ų641.5 Ų41.54%0.04223%0.228CC..THydrogen-bonded Turntrans-59.8-19.6168.654.30000112.9R133 K163 I237 Q238 V239 Y243R133-S241 PolarHBondContact NH2-OG 3.44Å; K163-S241 PolarHBondContact NZ-O 3.29Å; I237-S241 VanDerWaalsContact O-CB 3.23Å; I237-S241 WeakPolarHBondContact O-CB 3.2Å; I237-S241 PolarHBondContact O-N 3.49Å; I237-S241 PolarHBondContact O-OG 2.99Å; Q238-S241 PolarHBondContact O-OG 2.93Å; V239-S241 VanDerWaalsContact C-N 3.26Å; V239-S241 PolarHBondContact O-N 2.9Å; S241-Y243 VanDerWaalsContact C-N 3.29Å; S241-Y243 PolarHBondContact O-N 3.34Å
242M72.8Confident79.9Confident31 Ų3141.8 Ų41.815%0.15323%0.23CC..THydrogen-bonded Turntrans-61.2-36.3170.8-65.4-179.170.400112.6R133 M137 I146 K163 V239 L240R133-M242 HydrophobicContact CB-CE 4.47Å; R133-M242 HydrophobicContact CB-SD 3.64Å; R133-M242 HydrophobicContact CG-CG 3.77Å; R133-M242 HydrophobicContact CG-SD 3.47Å; R133-M242 WeakPolarHBondContact CG-SD 3.36Å; M137-M242 HydrophobicContact CG-CE 4.26Å; I146-M242 HydrophobicContact CD1-CE 3.93Å; K163-M242 PolarHBondContact NZ-O 2.89Å; V239-M242 WeakPolarHBondContact O-CB 3.33Å; V239-M242 WeakPolarHBondContact O-CG 3.34Å; V239-M242 PolarHBondContact O-N 2.83Å; L240-M242 PolarHBondContact O-N 3.48Å
243Y70.3Confident80Confident148 Ų14844.2 Ų44.258%0.5824%0.243SC*.THydrogen-bonded Turntrans-89.3-25.5-173.5-176.4-119.9000113.7K145 L240 S241K145-Y243 HydrophobicContact CB-CD2 3.83Å; K145-Y243 HydrophobicContact CB-CE2 4.13Å; K145-Y243 HydrophobicContact CB-CG 4.35Å; K145-Y243 HydrophobicContact CG-CD2 4.33Å; K145-Y243 HydrophobicContact CG-CE2 4.33Å; K145-Y243 WeakPolarHBondContact O-CD2 3.41Å; K145-Y243 WeakPolarHBondContact O-CE2 3.47Å; L240-Y243 PolarHBondContact O-N 3.47Å; S241-Y243 VanDerWaalsContact C-N 3.29Å; S241-Y243 PolarHBondContact O-N 3.34Å
244G68.1Low79.9Confident27 Ų2749.5 Ų49.528%0.27827%0.271SS..SBendtrans176.7-176.8-177.800000113.7Q246G244-Q246 PolarHBondContact O-N 2.96Å
245K58.5Low79.8Confident219 Ų21952.3 Ų52.395%0.95229%0.29SS*.  trans-66114.3172.5-84.8-176.1175.7178.40108.9
246Q63.5Low79.9Confident77 Ų7752.4 Ų52.436%0.3629%0.291SS..  trans-91149.1177.4-69.6-58.7-36.900111.2L240 G244L240-Q246 HydrophobicContact CB-CG 3.8Å; L240-Q246 PolarHBondContact O-NE2 3.49Å; G244-Q246 PolarHBondContact O-N 2.96Å
247A63.1Low80.1Confident53 Ų5354.6 Ų54.644%0.43831%0.305SS..  trans-61.3147.8169.200000109.7T252A247-T252 PolarHBondContact O-OG1 2.96Å; A247-T252 VanDerWaalsContact O-OG1 3.05Å
248G78.6Confident80.2Confident54 Ų5464.4 Ų64.456%0.55734%0.342SS*.  trans-58.4178.5173.800000112.4I250 G251 T252G248-I250 VanDerWaalsContact C-N 3.28Å; G248-I250 PolarHBondContact O-N 3.45Å; G248-I250 VanDerWaalsContact O-N 3.13Å; G248-G251 PolarHBondContact O-N 3.37Å; G248-T252 PolarHBondContact O-N 3.43Å; G248-T252 PolarHBondContact O-OG1 2.94Å
249F85.6Confident80.4Confident38 Ų3869.9 Ų69.917%0.16737%0.371CS..Hα-helixtrans-44.7-50.8-177.7-178.9-95.2000113.6S175 L178 V230 I233 I237 G251 T252 L253S175-F249 WeakPolarHBondContact OG-CD2 3.28Å; L178-F249 HydrophobicContact CD2-CD1 4.03Å; L178-F249 HydrophobicContact CD2-CD2 4.5Å; L178-F249 HydrophobicContact CD2-CE1 3.6Å; L178-F249 HydrophobicContact CD2-CE2 4.1Å; L178-F249 HydrophobicContact CD2-CG 4.46Å; L178-F249 HydrophobicContact CD2-CZ 3.64Å; V230-F249 HydrophobicContact CB-CE2 4.42Å; V230-F249 HydrophobicContact CB-CZ 4.5Å; V230-F249 HydrophobicContact CG1-CE2 3.83Å; V230-F249 HydrophobicContact CG1-CZ 4.19Å; V230-F249 HydrophobicContact CG2-CZ 4.26Å; I233-F249 HydrophobicContact CB-CD2 4.16Å; I233-F249 HydrophobicContact CB-CE2 3.77Å; I233-F249 HydrophobicContact CG1-CE2 4.38Å; I233-F249 HydrophobicContact CG2-CD2 3.47Å; I233-F249 VanDerWaalsContact CG2-CD2 3.47Å; I233-F249 HydrophobicContact CG2-CE2 3.61Å; I233-F249 HydrophobicContact CG2-CG 4.27Å; I233-F249 HydrophobicContact CG2-CZ 4.49Å; I237-F249 HydrophobicContact CD1-CB 4.47Å; F249-G251 PolarHBondContact O-N 2.92Å; F249-T252 PolarHBondContact O-N 3.07Å; F249-L253 HydrophobicContact CE1-CD2 4.22Å; F249-L253 WeakPolarHBondContact O-CB 3.36Å; F249-L253 PolarHBondContact O-N 3.06Å
250I88Confident80.6Confident123 Ų12373 Ų7363%0.63139%0.385SS*.Hα-helixtrans-63.1-43.8-178.6-61175.9000111.7G248 L253 L254G248-I250 VanDerWaalsContact C-N 3.28Å; G248-I250 PolarHBondContact O-N 3.45Å; G248-I250 VanDerWaalsContact O-N 3.13Å; I250-L253 PolarHBondContact O-N 3.46Å; I250-L254 HydrophobicContact CG2-CD1 3.89Å; I250-L254 HydrophobicContact CG2-CG 4.33Å; I250-L254 WeakPolarHBondContact O-CB 3.33Å; I250-L254 VanDerWaalsContact O-CG 3.3Å; I250-L254 WeakPolarHBondContact O-CG 3.5Å; I250-L254 PolarHBondContact O-N 2.86Å
251G87.5Confident81.1Confident30 Ų3072.7 Ų72.731%0.30939%0.391SS..Hα-helixtrans-67.4-38.3-179.500000112.4G248 F249 S255G248-G251 PolarHBondContact O-N 3.37Å; F249-G251 PolarHBondContact O-N 2.92Å; G251-S255 WeakPolarHBondContact O-CB 3.5Å; G251-S255 PolarHBondContact O-N 2.9Å
252T87.1Confident81.6Confident10 Ų1077.9 Ų77.96%0.06142%0.417CS..Hα-helixtrans-67.3-42.5174.3-56.40000111I233 R236 I237 A247 G248 F249 S255 V256I233-T252 HydrophobicContact CD1-CG2 4.21Å; I233-T252 HydrophobicContact CG2-CG2 3.94Å; R236-T252 HydrophobicContact CB-CG2 4.22Å; I237-T252 HydrophobicContact CG1-CG2 4.18Å; A247-T252 PolarHBondContact O-OG1 2.96Å; A247-T252 VanDerWaalsContact O-OG1 3.05Å; G248-T252 PolarHBondContact O-N 3.43Å; G248-T252 PolarHBondContact O-OG1 2.94Å; F249-T252 PolarHBondContact O-N 3.07Å; T252-S255 PolarHBondContact O-N 3.31Å; T252-V256 HydrophobicContact CG2-CG2 4.5Å; T252-V256 WeakPolarHBondContact O-CG2 3.41Å; T252-V256 PolarHBondContact O-N 3.46Å
253L90.1Very high82.3Confident51 Ų5182.4 Ų82.427%0.26745%0.446SS..Hα-helixtrans-58.3-51.2175.917865.5000111.9I233 F249 I250 S255 V256 V257 L265I233-L253 HydrophobicContact CD1-CB 4.31Å; I233-L253 HydrophobicContact CD1-CD1 4.18Å; I233-L253 HydrophobicContact CG1-CB 4.31Å; I233-L253 HydrophobicContact CG1-CD1 4.01Å; F249-L253 HydrophobicContact CE1-CD2 4.22Å; F249-L253 WeakPolarHBondContact O-CB 3.36Å; F249-L253 PolarHBondContact O-N 3.06Å; I250-L253 PolarHBondContact O-N 3.46Å; L253-S255 VanDerWaalsContact C-N 3.3Å; L253-S255 PolarHBondContact O-N 2.99Å; L253-V256 PolarHBondContact O-N 2.89Å; L253-V257 HydrophobicContact CD1-CG2 4.2Å; L253-V257 WeakPolarHBondContact O-CG2 3.44Å; L253-V257 PolarHBondContact O-N 2.95Å; L253-L265 HydrophobicContact CD1-CD1 4.14Å; L253-L265 HydrophobicContact CD1-CD2 4.04Å
254L89.2Confident83.1Confident112 Ų11276.1 Ų76.159%0.58642%0.424SS*.Hα-helixtrans-61.7-39.3178.9-71.1172.8000111.8I250 R258I250-L254 HydrophobicContact CG2-CD1 3.89Å; I250-L254 HydrophobicContact CG2-CG 4.33Å; I250-L254 WeakPolarHBondContact O-CB 3.33Å; I250-L254 VanDerWaalsContact O-CG 3.3Å; I250-L254 WeakPolarHBondContact O-CG 3.5Å; I250-L254 PolarHBondContact O-N 2.86Å; L254-R258 WeakPolarHBondContact O-CB 3.29Å; L254-R258 PolarHBondContact O-N 3.48Å
255S88.3Confident84.1Confident59 Ų5975.4 Ų75.441%0.41341%0.414SS..Hα-helixtrans-62.3-47.3176.4-175.60000111.9G251 T252 L253 R258 N259G251-S255 WeakPolarHBondContact O-CB 3.5Å; G251-S255 PolarHBondContact O-N 2.9Å; T252-S255 PolarHBondContact O-N 3.31Å; L253-S255 VanDerWaalsContact C-N 3.3Å; L253-S255 PolarHBondContact O-N 2.99Å; S255-R258 PolarHBondContact O-N 3.43Å; S255-N259 VanDerWaalsContact O-CB 3.28Å; S255-N259 WeakPolarHBondContact O-CB 3.23Å; S255-N259 VanDerWaalsContact O-CG 3.28Å; S255-N259 PolarHBondContact O-N 3.43Å; S255-N259 PolarHBondContact O-ND2 3.21Å; S255-N259 PolarHBondContact OG-ND2 2.84Å
256V88.3Confident85.6Confident4 Ų469.1 Ų69.12%0.02439%0.385CS..Hα-helixtrans-64.6-47.6179.3173.50000110.8I233 T252 L253 R258 N259 E260 G261 A264 L265I233-V256 HydrophobicContact CD1-CB 4.11Å; I233-V256 HydrophobicContact CD1-CG2 3.85Å; T252-V256 HydrophobicContact CG2-CG2 4.5Å; T252-V256 WeakPolarHBondContact O-CG2 3.41Å; T252-V256 PolarHBondContact O-N 3.46Å; L253-V256 PolarHBondContact O-N 2.89Å; V256-R258 VanDerWaalsContact C-N 3.3Å; V256-R258 PolarHBondContact O-N 3.14Å; V256-N259 PolarHBondContact O-N 3.25Å; V256-E260 HydrophobicContact CG1-CB 4.48Å; V256-E260 WeakPolarHBondContact O-CA 3.2Å; V256-E260 WeakPolarHBondContact O-CB 3.29Å; V256-E260 PolarHBondContact O-N 3.42Å; V256-G261 PolarHBondContact O-N 2.89Å; V256-G261 VanDerWaalsContact O-N 3.17Å; V256-A264 HydrophobicContact CG1-CB 4.22Å; V256-L265 HydrophobicContact CB-CD2 4.42Å; V256-L265 HydrophobicContact CG1-CD2 3.79Å; V256-L265 HydrophobicContact CG1-CG 4.39Å
257V90.9Very high86.7Confident57 Ų5766.6 Ų66.635%0.34538%0.376SS..Hα-helixtrans-62-39.7-179.7172.50000111.5L253 G261 I262 L265L253-V257 HydrophobicContact CD1-CG2 4.2Å; L253-V257 WeakPolarHBondContact O-CG2 3.44Å; L253-V257 PolarHBondContact O-N 2.95Å; V257-G261 VanDerWaalsContact O-CA 3.3Å; V257-G261 WeakPolarHBondContact O-CA 3.41Å; V257-G261 PolarHBondContact O-N 3.35Å; V257-I262 HydrophobicContact CG1-CG1 4.12Å; V257-L265 HydrophobicContact CG2-CD1 4Å
258R90Very high87.9Confident220 Ų22064.3 Ų64.383%0.8336%0.357SS*.Hα-helixtrans-73.3-39.8-179.4-176.3175.9176.3170.7-0.3113.3L254 S255 V256L254-R258 WeakPolarHBondContact O-CB 3.29Å; L254-R258 PolarHBondContact O-N 3.48Å; S255-R258 PolarHBondContact O-N 3.43Å; V256-R258 VanDerWaalsContact C-N 3.3Å; V256-R258 PolarHBondContact O-N 3.14Å
259N88.3Confident88.3Confident114 Ų11463.6 Ų63.661%0.6134%0.341SS*.Hα-helixtrans-94.8-30.6-171.1-62.1-34.8000113.4S255 V256S255-N259 VanDerWaalsContact O-CB 3.28Å; S255-N259 WeakPolarHBondContact O-CB 3.23Å; S255-N259 VanDerWaalsContact O-CG 3.28Å; S255-N259 PolarHBondContact O-N 3.43Å; S255-N259 PolarHBondContact O-ND2 3.21Å; S255-N259 PolarHBondContact OG-ND2 2.84Å; V256-N259 PolarHBondContact O-N 3.25Å
260E86.9Confident88.5Confident66 Ų6669.6 Ų69.631%0.30837%0.367SS..THydrogen-bonded Turntrans-122.9-13.9-172-56.2175-150.200113.1P41 R236 V256 A264P41-E260 VanDerWaalsContact CG-OE2 3.3Å; P41-E260 WeakPolarHBondContact CG-OE2 3.48Å; R236-E260 IonicContact CZ-OE1 3.95Å; R236-E260 IonicContact CZ-OE2 3.28Å; R236-E260 IonicContact NH1-OE1 2.62Å; R236-E260 PolarHBondContact NH1-OE1 3.34Å; R236-E260 IonicContact NH1-OE2 2.77Å; R236-E260 PolarHBondContact NH1-OE2 3.04Å; R236-E260 IonicContact NH2-OE1 2.71Å; R236-E260 IonicContact NH2-OE2 2.71Å; R236-E260 PolarHBondContact NH2-OE2 3.49Å; V256-E260 HydrophobicContact CG1-CB 4.48Å; V256-E260 WeakPolarHBondContact O-CA 3.2Å; V256-E260 WeakPolarHBondContact O-CB 3.29Å; V256-E260 PolarHBondContact O-N 3.42Å; E260-A264 HydrophobicContact CB-CB 3.58Å
261G89.3Confident88.6Confident28 Ų2863.8 Ų63.829%0.28934%0.337SS..  trans84.5171.5-179.600000114.3V256 V257 V263 A264V256-G261 PolarHBondContact O-N 2.89Å; V256-G261 VanDerWaalsContact O-N 3.17Å; V257-G261 VanDerWaalsContact O-CA 3.3Å; V257-G261 WeakPolarHBondContact O-CA 3.41Å; V257-G261 PolarHBondContact O-N 3.35Å; G261-V263 VanDerWaalsContact C-N 3.31Å; G261-V263 PolarHBondContact O-N 3.5Å; G261-A264 WeakPolarHBondContact O-CB 3.5Å; G261-A264 PolarHBondContact O-N 3.5Å
262I88.7Confident88.7Confident115 Ų11562.5 Ų62.559%0.5932%0.323SS*.G310 helixtrans-67.3-32.6-175.4-62.8171.4000111.7V257 A264 L265V257-I262 HydrophobicContact CG1-CG1 4.12Å; I262-A264 PolarHBondContact O-N 2.99Å; I262-L265 VanDerWaalsContact O-CB 3.3Å; I262-L265 WeakPolarHBondContact O-CB 3.34Å; I262-L265 PolarHBondContact O-N 3.42Å; I262-L265 VanDerWaalsContact O-N 3.13Å
263V88.5Confident88.8Confident126 Ų12665.3 Ų65.376%0.76434%0.336SS*.G310 helixtrans-63.6-29.4-179.8178.70000111.7G261 L265 Y266G261-V263 VanDerWaalsContact C-N 3.31Å; G261-V263 PolarHBondContact O-N 3.5Å; V263-L265 PolarHBondContact O-N 3.05Å; V263-Y266 PolarHBondContact O-N 3.48Å
264A86.7Confident88.8Confident16 Ų1666.7 Ų66.713%0.13234%0.343CS..G310 helixtrans-63.2-26.5177.600000112.9V256 E260 G261 I262 Y266 S267V256-A264 HydrophobicContact CG1-CB 4.22Å; E260-A264 HydrophobicContact CB-CB 3.58Å; G261-A264 WeakPolarHBondContact O-CB 3.5Å; G261-A264 PolarHBondContact O-N 3.5Å; I262-A264 PolarHBondContact O-N 2.99Å; A264-Y266 PolarHBondContact O-N 2.9Å; A264-S267 VanDerWaalsContact O-CB 3.25Å; A264-S267 WeakPolarHBondContact O-CB 3.23Å; A264-S267 PolarHBondContact O-N 2.99Å; A264-S267 VanDerWaalsContact O-N 3.11Å
265L89.2Confident89Confident12 Ų1263.7 Ų63.76%0.06332%0.324CS..G310 helixtrans-63-23.6174.1-62.1172.7000112.2F228 P229 C232 I233 L253 V256 V257 I262 V263F228-L265 WeakPolarHBondContact CD1-O 3.43Å; F228-L265 WeakPolarHBondContact CE1-O 3.21Å; P229-L265 HydrophobicContact CB-CB 4.15Å; P229-L265 HydrophobicContact CB-CD1 4.31Å; P229-L265 HydrophobicContact CG-CB 4.47Å; C232-L265 VanDerWaalsContact CB-O 3.29Å; C232-L265 WeakPolarHBondContact CB-O 3.2Å; I233-L265 HydrophobicContact CD1-CD2 3.72Å; I233-L265 HydrophobicContact CG1-CD2 4.09Å; L253-L265 HydrophobicContact CD1-CD1 4.14Å; L253-L265 HydrophobicContact CD1-CD2 4.04Å; V256-L265 HydrophobicContact CB-CD2 4.42Å; V256-L265 HydrophobicContact CG1-CD2 3.79Å; V256-L265 HydrophobicContact CG1-CG 4.39Å; V257-L265 HydrophobicContact CG2-CD1 4Å; I262-L265 VanDerWaalsContact O-CB 3.3Å; I262-L265 WeakPolarHBondContact O-CB 3.34Å; I262-L265 PolarHBondContact O-N 3.42Å; I262-L265 VanDerWaalsContact O-N 3.13Å; V263-L265 PolarHBondContact O-N 3.05Å
266Y90.2Very high88.9Confident87 Ų8762.3 Ų62.334%0.34132%0.316SS..G310 helixtrans-98.810.6178.3-65.1-83.6000114L225 F228 P229 V263 A264 G268 L269L225-Y266 PolarHBondContact O-OH 2.9Å; L225-Y266 VanDerWaalsContact O-OH 3.07Å; F228-Y266 HydrophobicContact CB-CD1 4.27Å; F228-Y266 HydrophobicContact CB-CE1 4.35Å; F228-Y266 HydrophobicContact CD1-CD1 4.05Å; F228-Y266 HydrophobicContact CG-CD1 4.44Å; P229-Y266 HydrophobicContact CG-CE1 4.06Å; P229-Y266 HydrophobicContact CG-CE2 4.14Å; P229-Y266 WeakPolarHBondContact CG-OH 3.31Å; V263-Y266 PolarHBondContact O-N 3.48Å; A264-Y266 PolarHBondContact O-N 2.9Å; Y266-G268 PolarHBondContact O-N 2.86Å; Y266-L269 HydrophobicContact CD1-CD2 4.2Å; Y266-L269 WeakPolarHBondContact O-CB 3.32Å; Y266-L269 PolarHBondContact O-N 2.86Å
267S87.1Confident89Confident23 Ų2368.8 Ų68.816%0.16135%0.349CS..THydrogen-bonded Turntrans-61.6123.9174.9-173.70000111.1M37 Q38 F228 A264M37-S267 PolarHBondContact O-OG 3.4Å; M37-S267 VanDerWaalsContact O-OG 3.06Å; Q38-S267 WeakPolarHBondContact CG-O 3.4Å; F228-S267 WeakPolarHBondContact CE1-O 3.17Å; F228-S267 WeakPolarHBondContact CZ-O 3.42Å; A264-S267 VanDerWaalsContact O-CB 3.25Å; A264-S267 WeakPolarHBondContact O-CB 3.23Å; A264-S267 PolarHBondContact O-N 2.99Å; A264-S267 VanDerWaalsContact O-N 3.11Å
268G86.8Confident89Confident5 Ų568.5 Ų68.55%0.05235%0.348CS..THydrogen-bonded Turntrans94.2-6-177.900000115.2F228 Y266 K270 A271 T272F228-G268 VanDerWaalsContact CZ-C 3.41Å; Y266-G268 PolarHBondContact O-N 2.86Å; G268-K270 PolarHBondContact O-N 3.23Å; G268-A271 WeakPolarHBondContact O-CA 3.09Å; G268-A271 VanDerWaalsContact O-CB 3.24Å; G268-A271 WeakPolarHBondContact O-CB 3.23Å; G268-A271 PolarHBondContact O-N 2.79Å; G268-T272 PolarHBondContact O-N 3.04Å; G268-T272 VanDerWaalsContact O-N 3.14Å; G268-T272 PolarHBondContact O-OG1 2.89Å
269L88.8Confident89.1Confident40 Ų4058 Ų5821%0.20931%0.309CS..Hα-helixtrans-56.4-40.8-179.7178.163.8000111.8W224 F228 Y266 A271 T272 M273W224-L269 HydrophobicContact CB-CD1 4.37Å; F228-L269 HydrophobicContact CD1-CB 4.38Å; F228-L269 HydrophobicContact CD2-CB 4.27Å; F228-L269 HydrophobicContact CD2-CD1 3.68Å; F228-L269 HydrophobicContact CE1-CB 4.11Å; F228-L269 VanDerWaalsContact CE2-CA 3.47Å; F228-L269 HydrophobicContact CE2-CB 3.98Å; F228-L269 HydrophobicContact CE2-CD1 4.05Å; F228-L269 HydrophobicContact CG-CB 4.47Å; F228-L269 HydrophobicContact CG-CD1 4.11Å; F228-L269 VanDerWaalsContact CZ-CA 3.47Å; F228-L269 HydrophobicContact CZ-CB 3.92Å; Y266-L269 HydrophobicContact CD1-CD2 4.2Å; Y266-L269 WeakPolarHBondContact O-CB 3.32Å; Y266-L269 PolarHBondContact O-N 2.86Å; L269-A271 VanDerWaalsContact C-N 3.29Å; L269-A271 PolarHBondContact O-N 3Å; L269-T272 WeakPolarHBondContact O-CB 3.48Å; L269-T272 PolarHBondContact O-N 3.09Å; L269-T272 VanDerWaalsContact O-N 3.14Å; L269-M273 HydrophobicContact CD1-CE 4.04Å; L269-M273 HydrophobicContact CD1-CG 4.3Å; L269-M273 HydrophobicContact CG-CG 4.36Å; L269-M273 WeakPolarHBondContact O-CG 3.14Å; L269-M273 PolarHBondContact O-N 3.47Å
270K89.7Confident89.2Confident164 Ų16456.3 Ų56.371%0.71330%0.3SS*.Hα-helixtrans-58-40.7175.2-64.3-176.6-178.6-1790112.1G268 T272 M273 I274G268-K270 PolarHBondContact O-N 3.23Å; K270-T272 VanDerWaalsContact C-N 3.35Å; K270-M273 PolarHBondContact O-N 3.15Å; K270-I274 WeakPolarHBondContact O-CB 3.38Å; K270-I274 WeakPolarHBondContact O-CD1 3.26Å; K270-I274 VanDerWaalsContact O-CG1 3.24Å; K270-I274 WeakPolarHBondContact O-CG1 3.18Å; K270-I274 PolarHBondContact O-N 3.22Å
271A90Very high89.3Confident0 Ų054.9 Ų54.90%030%0.302CS..Hα-helixtrans-62.5-45.4176.800000110.5I33 K34 L47 G268 L269 I274 R275I33-A271 HydrophobicContact CG2-CB 4.49Å; K34-A271 HydrophobicContact CB-CB 4.22Å; L47-A271 HydrophobicContact CD1-CB 3.37Å; G268-A271 WeakPolarHBondContact O-CA 3.09Å; G268-A271 VanDerWaalsContact O-CB 3.24Å; G268-A271 WeakPolarHBondContact O-CB 3.23Å; G268-A271 PolarHBondContact O-N 2.79Å; L269-A271 VanDerWaalsContact C-N 3.29Å; L269-A271 PolarHBondContact O-N 3Å; A271-I274 PolarHBondContact O-N 3.45Å; A271-R275 VanDerWaalsContact O-CB 3.28Å; A271-R275 WeakPolarHBondContact O-CB 3.4Å; A271-R275 PolarHBondContact O-N 3.28Å
272T88.9Confident89.5Confident3 Ų354.6 Ų54.62%0.01830%0.297CS..Hα-helixtrans-64-40.8178.9-55.60000112.7W224 G268 L269 K270 R275 A276W224-T272 HydrophobicContact CD2-CG2 3.97Å; W224-T272 HydrophobicContact CE3-CG2 3.93Å; W224-T272 HydrophobicContact CH2-CG2 3.59Å; W224-T272 HydrophobicContact CZ2-CG2 3.61Å; W224-T272 HydrophobicContact CZ3-CG2 3.75Å; G268-T272 PolarHBondContact O-N 3.04Å; G268-T272 VanDerWaalsContact O-N 3.14Å; G268-T272 PolarHBondContact O-OG1 2.89Å; L269-T272 WeakPolarHBondContact O-CB 3.48Å; L269-T272 PolarHBondContact O-N 3.09Å; L269-T272 VanDerWaalsContact O-N 3.14Å; K270-T272 VanDerWaalsContact C-N 3.35Å; T272-R275 WeakPolarHBondContact O-CB 3.18Å; T272-R275 PolarHBondContact O-N 3.38Å; T272-A276 PolarHBondContact O-N 2.95Å
273M88.6Confident89.7Confident70 Ų7050.9 Ų50.935%0.34528%0.279SS..Hα-helixtrans-66.3-46.2176.7-65.5-59.193.300111.7W224 L269 K270 R275 A276W224-M273 HydrophobicContact CB-CE 4.08Å; W224-M273 VanDerWaalsContact CD1-CE 3.49Å; W224-M273 HydrophobicContact CD2-CE 4.15Å; W224-M273 HydrophobicContact CG-CE 3.64Å; L269-M273 HydrophobicContact CD1-CE 4.04Å; L269-M273 HydrophobicContact CD1-CG 4.3Å; L269-M273 HydrophobicContact CG-CG 4.36Å; L269-M273 WeakPolarHBondContact O-CG 3.14Å; L269-M273 PolarHBondContact O-N 3.47Å; K270-M273 PolarHBondContact O-N 3.15Å; M273-R275 VanDerWaalsContact C-N 3.28Å; M273-R275 PolarHBondContact O-N 3.41Å; M273-A276 PolarHBondContact O-N 3.37Å
274I91.4Very high89.9Confident80 Ų8050.9 Ų50.941%0.4127%0.268SS..Hα-helixtrans-64-36.9177.7-65.4165.8000110.6F30 L47 K270 A271 A276 P278F30-I274 HydrophobicContact CD1-CB 4.44Å; F30-I274 HydrophobicContact CD1-CG2 4.19Å; F30-I274 HydrophobicContact CE1-CB 4.14Å; F30-I274 HydrophobicContact CE1-CG2 3.43Å; F30-I274 VanDerWaalsContact CE1-CG2 3.43Å; F30-I274 HydrophobicContact CZ-CG2 3.77Å; L47-I274 HydrophobicContact CD2-CD1 3.71Å; K270-I274 WeakPolarHBondContact O-CB 3.38Å; K270-I274 WeakPolarHBondContact O-CD1 3.26Å; K270-I274 VanDerWaalsContact O-CG1 3.24Å; K270-I274 WeakPolarHBondContact O-CG1 3.18Å; K270-I274 PolarHBondContact O-N 3.22Å; A271-I274 PolarHBondContact O-N 3.45Å; I274-A276 VanDerWaalsContact C-N 3.3Å; I274-A276 PolarHBondContact O-N 3.11Å; I274-P278 WeakPolarHBondContact O-CD 3.49Å; I274-P278 WeakPolarHBondContact O-CG 3.5Å
275R91.8Very high90.2Very high49 Ų4955.1 Ų55.119%0.18529%0.292CS..Hα-helixtrans-59.2-37177.4-170-173.269.875.6-1.6113.2G27 F30 D31 A271 T272 M273 I277 P278 A279G27-R275 WeakPolarHBondContact O-CD 3.1Å; F30-R275 HydrophobicContact CB-CB 3.61Å; F30-R275 HydrophobicContact CB-CG 3.76Å; F30-R275 HydrophobicContact CD2-CB 4Å; F30-R275 HydrophobicContact CD2-CG 3.97Å; F30-R275 HydrophobicContact CG-CB 3.84Å; F30-R275 HydrophobicContact CG-CG 4.14Å; D31-R275 WeakPolarHBondContact OD1-CD 3.48Å; D31-R275 IonicContact OD1-NE 3.14Å; D31-R275 PolarHBondContact OD1-NE 3.16Å; A271-R275 VanDerWaalsContact O-CB 3.28Å; A271-R275 WeakPolarHBondContact O-CB 3.4Å; A271-R275 PolarHBondContact O-N 3.28Å; T272-R275 WeakPolarHBondContact O-CB 3.18Å; T272-R275 PolarHBondContact O-N 3.38Å; M273-R275 VanDerWaalsContact C-N 3.28Å; M273-R275 PolarHBondContact O-N 3.41Å; R275-I277 VanDerWaalsContact C-N 3.32Å; R275-I277 PolarHBondContact O-N 3.4Å; R275-P278 VanDerWaalsContact O-CD 3.26Å; R275-P278 WeakPolarHBondContact O-CD 3.4Å; R275-P278 WeakPolarHBondContact O-CG 3.32Å; R275-A279 HydrophobicContact CG-CB 4.22Å; R275-A279 WeakPolarHBondContact O-CB 3.4Å; R275-A279 PolarHBondContact O-N 2.71Å
276A87.4Confident90.4Very high30 Ų3055.5 Ų55.525%0.24830%0.298CS..Hα-helixtrans-59.1-42.4-169.400000112.6T272 M273 I274 N280T272-A276 PolarHBondContact O-N 2.95Å; M273-A276 PolarHBondContact O-N 3.37Å; I274-A276 VanDerWaalsContact C-N 3.3Å; I274-A276 PolarHBondContact O-N 3.11Å; A276-N280 WeakPolarHBondContact O-CB 3.3Å; A276-N280 PolarHBondContact O-N 3.33Å; A276-N280 VanDerWaalsContact O-N 3.1Å; A276-N280 PolarHBondContact O-ND2 2.92Å; A276-N280 VanDerWaalsContact O-ND2 3.14Å
277I89.2Confident90.5Very high139 Ų13954.2 Ų54.271%0.71329%0.292SS*.Hα-helixtrans-65.8-59.6-178.4-59.6172.4000112.3R275 A279 G281R275-I277 VanDerWaalsContact C-N 3.32Å; R275-I277 PolarHBondContact O-N 3.4Å; I277-A279 PolarHBondContact O-N 3.34Å; I277-G281 PolarHBondContact O-N 3.31Å
278P92.4Very high90.7Very high52 Ų5257.9 Ų57.934%0.33831%0.307SS..Hα-helixtrans-66.2-37.2-178.526.8-34.4000112.6F30 I274 R275 A282F30-P278 HydrophobicContact CE2-CG 4.04Å; I274-P278 WeakPolarHBondContact O-CD 3.49Å; I274-P278 WeakPolarHBondContact O-CG 3.5Å; R275-P278 VanDerWaalsContact O-CD 3.26Å; R275-P278 WeakPolarHBondContact O-CD 3.4Å; R275-P278 WeakPolarHBondContact O-CG 3.32Å; P278-A282 VanDerWaalsContact O-CB 3.23Å; P278-A282 WeakPolarHBondContact O-CB 3.36Å; P278-A282 PolarHBondContact O-N 2.99Å
279A90.7Very high91Very high0 Ų065.5 Ų65.50%034%0.336CS..Hα-helixtrans-67-48.6-179.400000112T26 R275 I277 A282 L283T26-A279 WeakPolarHBondContact OG1-CA 3.49Å; R275-A279 HydrophobicContact CG-CB 4.22Å; R275-A279 WeakPolarHBondContact O-CB 3.4Å; R275-A279 PolarHBondContact O-N 2.71Å; I277-A279 PolarHBondContact O-N 3.34Å; A279-A282 PolarHBondContact O-N 3.44Å; A279-L283 PolarHBondContact O-N 2.95Å
280N90.3Very high91.1Very high78 Ų7864.9 Ų64.942%0.41734%0.335SS..Hα-helixtrans-69-38.7177.7-65.4-19.7000111.3A276 A282 L283 F284A276-N280 WeakPolarHBondContact O-CB 3.3Å; A276-N280 PolarHBondContact O-N 3.33Å; A276-N280 VanDerWaalsContact O-N 3.1Å; A276-N280 PolarHBondContact O-ND2 2.92Å; A276-N280 VanDerWaalsContact O-ND2 3.14Å; N280-A282 PolarHBondContact O-N 3.48Å; N280-L283 WeakPolarHBondContact O-CB 3.49Å; N280-L283 PolarHBondContact O-N 3.18Å; N280-F284 WeakPolarHBondContact O-CD2 3.3Å; N280-F284 PolarHBondContact O-N 3.39Å
281G90.7Very high91.2Very high35 Ų3561.4 Ų61.436%0.36132%0.317SS..Hα-helixtrans-59-46.917500000112.1I277 L283 F284 V285I277-G281 PolarHBondContact O-N 3.31Å; G281-L283 VanDerWaalsContact C-N 3.33Å; G281-L283 PolarHBondContact O-N 3.23Å; G281-F284 PolarHBondContact O-N 3.03Å; G281-V285 WeakPolarHBondContact O-CB 3.21Å; G281-V285 VanDerWaalsContact O-CG2 3.27Å; G281-V285 WeakPolarHBondContact O-CG2 3.45Å; G281-V285 PolarHBondContact O-N 3.42Å
282A93.6Very high91.3Very high22 Ų2269 Ų6918%0.18235%0.35CS..Hα-helixtrans-63.4-38176.700000112.5A22 T26 P278 A279 N280 A286A22-A282 HydrophobicContact CB-CB 4.23Å; T26-A282 HydrophobicContact CG2-CB 3.63Å; T26-A282 WeakPolarHBondContact OG1-CB 3.4Å; P278-A282 VanDerWaalsContact O-CB 3.23Å; P278-A282 WeakPolarHBondContact O-CB 3.36Å; P278-A282 PolarHBondContact O-N 2.99Å; A279-A282 PolarHBondContact O-N 3.44Å; N280-A282 PolarHBondContact O-N 3.48Å; A282-A286 WeakPolarHBondContact O-CB 3.38Å; A282-A286 PolarHBondContact O-N 3.46Å
283L92.4Very high91.4Very high38 Ų3873 Ų7320%0.19937%0.37CS..Hα-helixtrans-57.1-54.8174.2-174.2151.2000111.2C23 A279 N280 G281 A286 Y287C23-L283 HydrophobicContact CB-CB 3.94Å; C23-L283 HydrophobicContact CB-CD1 3.92Å; C23-L283 HydrophobicContact CB-CG 4.35Å; A279-L283 PolarHBondContact O-N 2.95Å; N280-L283 WeakPolarHBondContact O-CB 3.49Å; N280-L283 PolarHBondContact O-N 3.18Å; G281-L283 VanDerWaalsContact C-N 3.33Å; G281-L283 PolarHBondContact O-N 3.23Å; L283-A286 PolarHBondContact O-N 3.32Å; L283-Y287 VanDerWaalsContact O-CB 3.24Å; L283-Y287 WeakPolarHBondContact O-CB 3.45Å; L283-Y287 PolarHBondContact O-N 2.97Å
284F91.3Very high91.5Very high125 Ų12571.6 Ų71.655%0.54836%0.363SS..Hα-helixtrans-66.4-43.1-176.7-74-63.9000112N280 G281 A286 Y287 E288N280-F284 WeakPolarHBondContact O-CD2 3.3Å; N280-F284 PolarHBondContact O-N 3.39Å; G281-F284 PolarHBondContact O-N 3.03Å; F284-A286 PolarHBondContact O-N 3.42Å; F284-Y287 PolarHBondContact O-N 3.32Å; F284-E288 WeakPolarHBondContact O-CB 3.29Å; F284-E288 WeakPolarHBondContact O-CG 3.36Å; F284-E288 PolarHBondContact O-N 3.15Å
285V93.8Very high91.3Very high105 Ų10570 Ų7064%0.63635%0.354SS*.Hα-helixtrans-60.7-48.2177.9169.80000110.9G281 Y289G281-V285 WeakPolarHBondContact O-CB 3.21Å; G281-V285 VanDerWaalsContact O-CG2 3.27Å; G281-V285 WeakPolarHBondContact O-CG2 3.45Å; G281-V285 PolarHBondContact O-N 3.42Å; V285-Y289 WeakPolarHBondContact O-CB 3.44Å; V285-Y289 PolarHBondContact O-N 3.18Å
286A93.8Very high91.1Very high21 Ų2170.6 Ų70.617%0.17437%0.365CS..Hα-helixtrans-65.9-42.8179.300000111.6A22 A282 L283 F284 S290A22-A286 HydrophobicContact CB-CB 3.63Å; A282-A286 WeakPolarHBondContact O-CB 3.38Å; A282-A286 PolarHBondContact O-N 3.46Å; L283-A286 PolarHBondContact O-N 3.32Å; F284-A286 PolarHBondContact O-N 3.42Å; A286-S290 WeakPolarHBondContact O-CB 3.41Å; A286-S290 PolarHBondContact O-N 3.15Å; A286-S290 PolarHBondContact O-OG 3.39Å
287Y92.1Very high91Very high59 Ų5975.3 Ų75.323%0.23138%0.382CS..Hα-helixtrans-59.6-56176.6176.6-95.3000112.1A15 L283 F284 Y289 S290 R291A15-Y287 HydrophobicContact CB-CD2 3.74Å; A15-Y287 HydrophobicContact CB-CE2 3.86Å; A15-Y287 HydrophobicContact CB-CG 4.47Å; L283-Y287 VanDerWaalsContact O-CB 3.24Å; L283-Y287 WeakPolarHBondContact O-CB 3.45Å; L283-Y287 PolarHBondContact O-N 2.97Å; F284-Y287 PolarHBondContact O-N 3.32Å; Y287-Y289 PolarHBondContact O-N 3.2Å; Y287-S290 PolarHBondContact O-N 3.48Å; Y287-R291 WeakPolarHBondContact O-CB 3.48Å; Y287-R291 PolarHBondContact O-N 3.37Å
288E90.9Very high90.7Very high100 Ų10071.6 Ų71.647%0.46736%0.364SS..Hα-helixtrans-63.9-43.6-175.8-71.4-63.4158.800111.7F284 K292F284-E288 WeakPolarHBondContact O-CB 3.29Å; F284-E288 WeakPolarHBondContact O-CG 3.36Å; F284-E288 PolarHBondContact O-N 3.15Å; E288-K292 WeakPolarHBondContact O-CB 3.32Å; E288-K292 PolarHBondContact O-N 2.9Å
289Y93.1Very high90.2Very high166 Ų16676.4 Ų76.465%0.65138%0.381SS*.Hα-helixtrans-68-45.5-179.7-168.1-95.1000111.9V285 Y287 R291 K292 M293V285-Y289 WeakPolarHBondContact O-CB 3.44Å; V285-Y289 PolarHBondContact O-N 3.18Å; Y287-Y289 PolarHBondContact O-N 3.2Å; Y289-R291 PolarHBondContact O-N 3.26Å; Y289-K292 PolarHBondContact O-N 3.44Å; Y289-M293 VanDerWaalsContact O-CB 3.31Å; Y289-M293 WeakPolarHBondContact O-CB 3.34Å; Y289-M293 PolarHBondContact O-N 3.39Å
290S91.4Very high89.3Confident27 Ų2780.5 Ų80.519%0.18942%0.415CS..Hα-helixtrans-61.5-44.3176.8-69.30000111.6A286 Y287 M293 M294A286-S290 WeakPolarHBondContact O-CB 3.41Å; A286-S290 PolarHBondContact O-N 3.15Å; A286-S290 PolarHBondContact O-OG 3.39Å; Y287-S290 PolarHBondContact O-N 3.48Å; S290-M293 PolarHBondContact O-N 3.16Å; S290-M294 WeakPolarHBondContact O-CE 3.44Å; S290-M294 WeakPolarHBondContact O-CG 3.46Å; S290-M294 PolarHBondContact O-N 2.93Å
291R91.3Very high87.8Confident90 Ų9088.5 Ų88.534%0.3444%0.442SS..Hα-helixtrans-63-48.4177.6-174.9172.1-179.9-113.1-2.9111.9I11 D12 A15 Y287 Y289 M293 M294 M295I11-R291 HydrophobicContact CG2-CG 4.03Å; D12-R291 WeakPolarHBondContact OD1-CD 3.32Å; D12-R291 IonicContact OD1-CZ 3.48Å; D12-R291 IonicContact OD1-NE 2.86Å; D12-R291 PolarHBondContact OD1-NE 3.34Å; A15-R291 HydrophobicContact CB-CB 3.86Å; Y287-R291 WeakPolarHBondContact O-CB 3.48Å; Y287-R291 PolarHBondContact O-N 3.37Å; Y289-R291 PolarHBondContact O-N 3.26Å; R291-M293 VanDerWaalsContact C-N 3.35Å; R291-M293 PolarHBondContact O-N 2.95Å; R291-M294 PolarHBondContact O-N 3.24Å; R291-M295 WeakPolarHBondContact O-CB 3.5Å; R291-M295 VanDerWaalsContact O-CG 3.29Å; R291-M295 WeakPolarHBondContact O-CG 3.46Å; R291-M295 PolarHBondContact O-N 2.97Å
292K91.6Very high87.7Confident160 Ų16091.2 Ų91.270%0.69645%0.446SS*.Hα-helixtrans-60.5-43.6178.6-174.2177.4-179.2179.70111.9E288 Y289 M295 S296E288-K292 WeakPolarHBondContact O-CB 3.32Å; E288-K292 PolarHBondContact O-N 2.9Å; Y289-K292 PolarHBondContact O-N 3.44Å; K292-M295 PolarHBondContact O-N 3.48Å; K292-S296 WeakPolarHBondContact O-CB 3.31Å; K292-S296 PolarHBondContact O-N 3.02Å; K292-S296 PolarHBondContact O-OG 3.24Å
293M91.8Very high87.4Confident88 Ų8894.8 Ų94.843%0.43346%0.46SS..Hα-helixtrans-61.6-49.3178.1-174.2-178.272.300111.5Y289 S290 R291 M295 S296 Q297Y289-M293 VanDerWaalsContact O-CB 3.31Å; Y289-M293 WeakPolarHBondContact O-CB 3.34Å; Y289-M293 PolarHBondContact O-N 3.39Å; S290-M293 PolarHBondContact O-N 3.16Å; R291-M293 VanDerWaalsContact C-N 3.35Å; R291-M293 PolarHBondContact O-N 2.95Å; M293-M295 PolarHBondContact O-N 3.27Å; M293-S296 PolarHBondContact O-N 3.05Å; M293-S296 PolarHBondContact O-OG 2.9Å; M293-Q297 PolarHBondContact O-N 3.07Å; M293-Q297 VanDerWaalsContact O-N 3.11Å
294M90.3Very high87.1Confident40 Ų4098 Ų9820%0.19747%0.474CS..Hα-helixtrans-63.8-40.5179-72.9-177.5-79.800112.5I11 T14 A15 S290 R291 Q297 L298I11-M294 HydrophobicContact CD1-CB 4.33Å; I11-M294 HydrophobicContact CG1-CB 4.08Å; I11-M294 HydrophobicContact CG1-SD 4.42Å; I11-M294 HydrophobicContact CG2-CB 4.01Å; I11-M294 HydrophobicContact CG2-CE 4.01Å; I11-M294 HydrophobicContact CG2-SD 4.38Å; I11-M294 WeakPolarHBondContact O-CE 3.44Å; T14-M294 HydrophobicContact CG2-CE 4.06Å; T14-M294 HydrophobicContact CG2-SD 3.93Å; A15-M294 HydrophobicContact CB-CE 3.94Å; S290-M294 WeakPolarHBondContact O-CE 3.44Å; S290-M294 WeakPolarHBondContact O-CG 3.46Å; S290-M294 PolarHBondContact O-N 2.93Å; R291-M294 PolarHBondContact O-N 3.24Å; M294-Q297 PolarHBondContact O-N 3.03Å; M294-L298 PolarHBondContact O-N 3.47Å; M294-L298 VanDerWaalsContact O-N 3.15Å
295M88.4Confident86.8Confident46 Ų4696.4 Ų96.423%0.22747%0.47CS..Hα-helixtrans-63.4-42.8175.2-72.1-70.3-73.200111.6I11 R291 K292 M293 Q297 L298 E299I11-M295 HydrophobicContact CD1-CG 4.39Å; I11-M295 HydrophobicContact CD1-SD 3.76Å; I11-M295 HydrophobicContact CG2-CG 4.38Å; R291-M295 WeakPolarHBondContact O-CB 3.5Å; R291-M295 VanDerWaalsContact O-CG 3.29Å; R291-M295 WeakPolarHBondContact O-CG 3.46Å; R291-M295 PolarHBondContact O-N 2.97Å; K292-M295 PolarHBondContact O-N 3.48Å; M293-M295 PolarHBondContact O-N 3.27Å; M295-Q297 VanDerWaalsContact C-N 3.31Å; M295-Q297 PolarHBondContact O-N 3.23Å; M295-L298 WeakPolarHBondContact O-CB 3.38Å; M295-L298 PolarHBondContact O-N 2.96Å; M295-L298 VanDerWaalsContact O-N 3.09Å; M295-E299 PolarHBondContact O-N 2.99Å
296S87.3Confident86.4Confident61 Ų6195.9 Ų95.943%0.42746%0.459SS..Hα-helixtrans-64-34.3178.970.40000113.3K292 M293 L298 E299 A300K292-S296 WeakPolarHBondContact O-CB 3.31Å; K292-S296 PolarHBondContact O-N 3.02Å; K292-S296 PolarHBondContact O-OG 3.24Å; M293-S296 PolarHBondContact O-N 3.05Å; M293-S296 PolarHBondContact O-OG 2.9Å; S296-L298 VanDerWaalsContact C-N 3.33Å; S296-E299 PolarHBondContact O-N 3.33Å; S296-A300 PolarHBondContact O-N 3.23Å
297Q84.9Confident85.9Confident130 Ų130100.9 Ų100.961%0.60748%0.478SS*.Hα-helixtrans-71.2-31174.3-70.7-158.7-27.800112.3M293 M294 M295 E299 A300M293-Q297 PolarHBondContact O-N 3.07Å; M293-Q297 VanDerWaalsContact O-N 3.11Å; M294-Q297 PolarHBondContact O-N 3.03Å; M295-Q297 VanDerWaalsContact C-N 3.31Å; M295-Q297 PolarHBondContact O-N 3.23Å; Q297-E299 VanDerWaalsContact C-N 3.35Å; Q297-A300 PolarHBondContact O-N 3.41Å
298L83.7Confident85.5Confident61 Ų61103.9 Ų103.932%0.31950%0.496SS..Hα-helixtrans-72.2-30.5176.2-149.996.7000112.5S3 I7 M294 M295 S296S3-L298 WeakPolarHBondContact OG-CD2 3.1Å; I7-L298 HydrophobicContact CG2-CD1 3.58Å; I7-L298 HydrophobicContact CG2-CD2 3.93Å; I7-L298 HydrophobicContact CG2-CG 4.42Å; M294-L298 PolarHBondContact O-N 3.47Å; M294-L298 VanDerWaalsContact O-N 3.15Å; M295-L298 WeakPolarHBondContact O-CB 3.38Å; M295-L298 PolarHBondContact O-N 2.96Å; M295-L298 VanDerWaalsContact O-N 3.09Å; S296-L298 VanDerWaalsContact C-N 3.33Å
299E80Confident85.1Confident152 Ų152104.2 Ų104.271%0.7150%0.498SS*.Hα-helixtrans-79.4-20176.4-70.9175.2177.500112.9M295 S296 Q297 Y301M295-E299 PolarHBondContact O-N 2.99Å; S296-E299 PolarHBondContact O-N 3.33Å; Q297-E299 VanDerWaalsContact C-N 3.35Å; E299-Y301 VanDerWaalsContact C-N 3.31Å
300A71.8Confident84.4Confident86 Ų8699 Ų9971%0.71149%0.485SS*.  trans-81.1-7.9177.200000114S296 Q297S296-A300 PolarHBondContact O-N 3.23Å; Q297-A300 PolarHBondContact O-N 3.41Å
301Y60.2Low83.7Confident247 Ų247105.5 Ų105.597%0.96951%0.512SS*.  trans-110.70177.1-92.1-87.3000111.1E299E299-Y301 VanDerWaalsContact C-N 3.31Å

Retrieved 301 of 301 residues in 67.7 ms (Link to these results)