A0A077ZCQ1_TRITR Loading...

Cation efflux domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZCQ1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 334 aa.

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

 

Download Structure   PDB   PAE   Table  
Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M44.6Very low71.9Confident215 Ų21582.1 Ų82.1100%1.05947%0.467SS*.  0-49.10-74.8-175.5-179.400111.4D3 A4 M5M1-D3 PolarHBondContact O-N 3.37Å; M1-A4 PolarHBondContact O-N 3.18Å; M1-M5 PolarHBondContact O-N 2.78Å
2A59.2Low73.4Confident56 Ų5678.3 Ų78.346%0.46345%0.454SS..Hα-helixtrans-54.3-51.217700000113A4 M5 N6A2-A4 VanDerWaalsContact C-N 3.32Å; A2-A4 PolarHBondContact O-N 2.94Å; A2-M5 WeakPolarHBondContact O-CB 3.5Å; A2-M5 PolarHBondContact O-N 2.98Å; A2-M5 VanDerWaalsContact O-N 3.09Å; A2-N6 PolarHBondContact O-N 3.4Å
3D61.8Low74.6Confident116 Ų11672.4 Ų72.462%0.6242%0.419SS*.Hα-helixtrans-62.2-35.9-178.4-52.8-19000113.8M1 N6 N7M1-D3 PolarHBondContact O-N 3.37Å; D3-N6 PolarHBondContact O-N 2.87Å; D3-N7 WeakPolarHBondContact O-CB 3.27Å; D3-N7 VanDerWaalsContact O-CG 3.32Å; D3-N7 PolarHBondContact O-N 3.43Å; D3-N7 PolarHBondContact O-ND2 2.6Å
4A70.1Confident75.6Confident69 Ų6970.6 Ų70.657%0.5741%0.413SS*.Hα-helixtrans-67.5-38.5176.900000111.4M1 A2 L8M1-A4 PolarHBondContact O-N 3.18Å; A2-A4 VanDerWaalsContact C-N 3.32Å; A2-A4 PolarHBondContact O-N 2.94Å; A4-L8 WeakPolarHBondContact O-CB 3.48Å; A4-L8 PolarHBondContact O-N 2.77Å; A4-L8 VanDerWaalsContact O-N 3.09Å
5M70.7Confident76.7Confident100 Ų10072 Ų7249%0.49342%0.422SS..Hα-helixtrans-68.8-38.1175.7-157.871.476.600111.1M1 A2 L8 S9M1-M5 PolarHBondContact O-N 2.78Å; A2-M5 WeakPolarHBondContact O-CB 3.5Å; A2-M5 PolarHBondContact O-N 2.98Å; A2-M5 VanDerWaalsContact O-N 3.09Å; M5-L8 PolarHBondContact O-N 2.81Å; M5-S9 WeakPolarHBondContact O-CB 3.43Å; M5-S9 PolarHBondContact O-N 3.03Å
6N72.3Confident77.8Confident28 Ų2870.1 Ų70.115%0.1541%0.409CS..Hα-helixtrans-62.8-53.1177.1-155.974.3000111.4A2 D3 L8 S9 D10 V54 D118A2-N6 PolarHBondContact O-N 3.4Å; D3-N6 PolarHBondContact O-N 2.87Å; N6-L8 VanDerWaalsContact C-N 3.25Å; N6-L8 PolarHBondContact O-N 3.05Å; N6-S9 WeakPolarHBondContact O-CB 3.37Å; N6-S9 PolarHBondContact O-N 2.69Å; N6-D10 VanDerWaalsContact O-CG 3.28Å; N6-D10 PolarHBondContact O-N 3.32Å; N6-V54 WeakPolarHBondContact OD1-CG1 3.31Å; N6-D118 PolarHBondContact ND2-OD1 3.01Å; N6-D118 PolarHBondContact OD1-OD1 2.85Å
7N77.8Confident78.5Confident92 Ų9266.6 Ų66.649%0.49239%0.389SS..Hα-helixtrans-61.2-33.9178.1-69.8-26.4000112.6D3 T11D3-N7 WeakPolarHBondContact O-CB 3.27Å; D3-N7 VanDerWaalsContact O-CG 3.32Å; D3-N7 PolarHBondContact O-N 3.43Å; D3-N7 PolarHBondContact O-ND2 2.6Å; N7-T11 WeakPolarHBondContact O-CB 3.43Å; N7-T11 PolarHBondContact O-N 2.92Å; N7-T11 PolarHBondContact O-OG1 2.89Å
8L80.9Confident79.4Confident114 Ų11470 Ų7060%0.59741%0.405SS*.Hα-helixtrans-67.7-43.5174.5-177.466.7000111.3A4 M5 N6 T11 A12A4-L8 WeakPolarHBondContact O-CB 3.48Å; A4-L8 PolarHBondContact O-N 2.77Å; A4-L8 VanDerWaalsContact O-N 3.09Å; M5-L8 PolarHBondContact O-N 2.81Å; N6-L8 VanDerWaalsContact C-N 3.25Å; N6-L8 PolarHBondContact O-N 3.05Å; L8-T11 PolarHBondContact O-N 3.4Å; L8-A12 WeakPolarHBondContact O-CB 2.94Å; L8-A12 PolarHBondContact O-N 3.43Å
9S82.5Confident80.2Confident13 Ų1368.7 Ų68.79%0.09140%0.403CS..Hα-helixtrans-61.6-44.1174.8-168.30000111.3M5 N6 T11 A12 S13 V54M5-S9 WeakPolarHBondContact O-CB 3.43Å; M5-S9 PolarHBondContact O-N 3.03Å; N6-S9 WeakPolarHBondContact O-CB 3.37Å; N6-S9 PolarHBondContact O-N 2.69Å; S9-T11 VanDerWaalsContact C-N 3.32Å; S9-T11 PolarHBondContact O-N 3.2Å; S9-A12 CarbonylContact O-C 3.58Å; S9-A12 WeakPolarHBondContact O-CB 3.35Å; S9-A12 PolarHBondContact O-N 2.59Å; S9-A12 VanDerWaalsContact O-N 3.13Å; S9-S13 PolarHBondContact O-N 3.02Å; S9-S13 PolarHBondContact O-OG 3.37Å; S9-V54 VanDerWaalsContact OG-CG2 3.28Å; S9-V54 WeakPolarHBondContact OG-CG2 3.27Å
10D83.9Confident80.9Confident14 Ų1465.4 Ų65.48%0.07538%0.384CS..Hα-helixtrans-58.3-44.7176.6-70.3-33000112.6N6 A12 S13 S14 K89 D118N6-D10 VanDerWaalsContact O-CG 3.28Å; N6-D10 PolarHBondContact O-N 3.32Å; D10-A12 VanDerWaalsContact C-N 3.33Å; D10-S13 PolarHBondContact O-N 3.41Å; D10-S14 WeakPolarHBondContact O-CB 3.01Å; D10-S14 PolarHBondContact O-N 2.76Å; D10-S14 PolarHBondContact O-OG 3.33Å; D10-K89 IonicContact OD1-NZ 3.68Å; D10-K89 PolarHBondContact OD1-NZ 3.29Å; D10-K89 VanDerWaalsContact OD1-NZ 3.1Å; D10-K89 IonicContact OD2-NZ 2.6Å; D10-K89 PolarHBondContact OD2-NZ 2.7Å; D10-D118 VanDerWaalsContact OD1-OD2 3.12Å
11T87.6Confident81.5Confident86 Ų8665 Ų6553%0.52838%0.378SS..Hα-helixtrans-64-43.4177.2-570000110N7 L8 S9 S14 V15N7-T11 WeakPolarHBondContact O-CB 3.43Å; N7-T11 PolarHBondContact O-N 2.92Å; N7-T11 PolarHBondContact O-OG1 2.89Å; L8-T11 PolarHBondContact O-N 3.4Å; S9-T11 VanDerWaalsContact C-N 3.32Å; S9-T11 PolarHBondContact O-N 3.2Å; T11-S14 PolarHBondContact O-N 3.35Å; T11-V15 WeakPolarHBondContact O-CG2 3.21Å; T11-V15 PolarHBondContact O-N 2.83Å
12A89.6Confident83.9Confident37 Ų3762.9 Ų62.931%0.30636%0.362SS..Hα-helixtrans-62.1-48.1176.100000111.8L8 S9 D10 S14 V15 I16 L50L8-A12 WeakPolarHBondContact O-CB 2.94Å; L8-A12 PolarHBondContact O-N 3.43Å; S9-A12 CarbonylContact O-C 3.58Å; S9-A12 WeakPolarHBondContact O-CB 3.35Å; S9-A12 PolarHBondContact O-N 2.59Å; S9-A12 VanDerWaalsContact O-N 3.13Å; D10-A12 VanDerWaalsContact C-N 3.33Å; A12-S14 VanDerWaalsContact C-N 3.28Å; A12-S14 PolarHBondContact O-N 2.87Å; A12-V15 PolarHBondContact O-N 2.82Å; A12-I16 WeakPolarHBondContact O-CB 3.39Å; A12-I16 WeakPolarHBondContact O-CD1 3.49Å; A12-I16 VanDerWaalsContact O-CG1 3.23Å; A12-I16 WeakPolarHBondContact O-CG1 3.41Å; A12-I16 PolarHBondContact O-N 3.21Å; A12-L50 HydrophobicContact CB-CD1 4.47Å
13S88.4Confident85.6Confident1 Ų163.3 Ų63.31%0.00736%0.357CS..Hα-helixtrans-55.8-43175.7-66.90000111.4S9 D10 I16 T17 D114S9-S13 PolarHBondContact O-N 3.02Å; S9-S13 PolarHBondContact O-OG 3.37Å; D10-S13 PolarHBondContact O-N 3.41Å; S13-I16 PolarHBondContact O-N 2.82Å; S13-T17 WeakPolarHBondContact O-CB 3.2Å; S13-T17 PolarHBondContact O-N 2.87Å; S13-T17 PolarHBondContact O-OG1 3.12Å; S13-D114 PolarHBondContact OG-OD2 2.65Å
14S88.5Confident87.1Confident47 Ų4758.1 Ų58.133%0.32933%0.329SS..Hα-helixtrans-65.1-43.7178.1-60.30000112.2D10 T11 A12 T17 L18D10-S14 WeakPolarHBondContact O-CB 3.01Å; D10-S14 PolarHBondContact O-N 2.76Å; D10-S14 PolarHBondContact O-OG 3.33Å; T11-S14 PolarHBondContact O-N 3.35Å; A12-S14 VanDerWaalsContact C-N 3.28Å; A12-S14 PolarHBondContact O-N 2.87Å; S14-T17 PolarHBondContact O-N 3.1Å; S14-L18 WeakPolarHBondContact O-CG 3.46Å; S14-L18 PolarHBondContact O-N 3.19Å
15V93Very high88.2Confident92 Ų9257.9 Ų57.956%0.55833%0.334SS*.Hα-helixtrans-64.5-44.2176.1171.40000111T11 A12 T17 L18 A19T11-V15 WeakPolarHBondContact O-CG2 3.21Å; T11-V15 PolarHBondContact O-N 2.83Å; A12-V15 PolarHBondContact O-N 2.82Å; V15-T17 VanDerWaalsContact C-N 3.32Å; V15-T17 PolarHBondContact O-N 2.76Å; V15-L18 PolarHBondContact O-N 3.42Å; V15-A19 VanDerWaalsContact O-CB 3.27Å; V15-A19 WeakPolarHBondContact O-CB 3.33Å; V15-A19 PolarHBondContact O-N 3.21Å
16I93.3Very high89.3Confident41 Ų4157.8 Ų57.821%0.2133%0.331CS..Hα-helixtrans-63.5-39.5177.6-68.7162.4000110.8A12 S13 G20 S43 V46 I47 L50A12-I16 WeakPolarHBondContact O-CB 3.39Å; A12-I16 WeakPolarHBondContact O-CD1 3.49Å; A12-I16 VanDerWaalsContact O-CG1 3.23Å; A12-I16 WeakPolarHBondContact O-CG1 3.41Å; A12-I16 PolarHBondContact O-N 3.21Å; S13-I16 PolarHBondContact O-N 2.82Å; I16-G20 WeakPolarHBondContact O-CA 3.33Å; I16-G20 PolarHBondContact O-N 3.47Å; I16-S43 PolarHBondContact O-OG 2.97Å; I16-V46 HydrophobicContact CD1-CG1 3.97Å; I16-V46 HydrophobicContact CG2-CB 4.49Å; I16-V46 HydrophobicContact CG2-CG1 4.41Å; I16-I47 HydrophobicContact CB-CG1 4.38Å; I16-I47 HydrophobicContact CG2-CD1 4.23Å; I16-I47 HydrophobicContact CG2-CG1 3.94Å; I16-L50 HydrophobicContact CD1-CD1 3.5Å; I16-L50 VanDerWaalsContact CD1-CD1 3.5Å
17T91.2Very high90.2Very high11 Ų1161.3 Ų61.37%0.06736%0.355CS..Hα-helixtrans-62.2-51.6175.6-590000110.5S13 S14 V15 G20 F21 I47 L108 T111S13-T17 WeakPolarHBondContact O-CB 3.2Å; S13-T17 PolarHBondContact O-N 2.87Å; S13-T17 PolarHBondContact O-OG1 3.12Å; S14-T17 PolarHBondContact O-N 3.1Å; V15-T17 VanDerWaalsContact C-N 3.32Å; V15-T17 PolarHBondContact O-N 2.76Å; T17-G20 PolarHBondContact O-N 2.88Å; T17-F21 HydrophobicContact CG2-CD2 3.79Å; T17-F21 HydrophobicContact CG2-CE2 3.65Å; T17-F21 VanDerWaalsContact O-CD2 3.23Å; T17-F21 WeakPolarHBondContact O-CD2 3.5Å; T17-F21 PolarHBondContact O-N 3.28Å; T17-I47 WeakPolarHBondContact OG1-CD1 3.22Å; T17-L108 HydrophobicContact CG2-CD2 4.29Å; T17-T111 PolarHBondContact OG1-OG1 2.87Å
18L93.4Very high90.9Very high128 Ų12859.8 Ų59.867%0.6736%0.355SS*.Hα-helixtrans-62.5-45179.6-71.9172.8000112.4S14 V15 G20 K22S14-L18 WeakPolarHBondContact O-CG 3.46Å; S14-L18 PolarHBondContact O-N 3.19Å; V15-L18 PolarHBondContact O-N 3.42Å; L18-G20 VanDerWaalsContact C-N 3.33Å; L18-K22 WeakPolarHBondContact O-CB 3.27Å; L18-K22 PolarHBondContact O-N 3.45Å
19A94.9Very high91.6Very high45 Ų4556.6 Ų56.637%0.37234%0.339SS..Hα-helixtrans-63.5-41.2175.600000111.2V15 K22 I23V15-A19 VanDerWaalsContact O-CB 3.27Å; V15-A19 WeakPolarHBondContact O-CB 3.33Å; V15-A19 PolarHBondContact O-N 3.21Å; A19-K22 PolarHBondContact O-N 3.35Å; A19-I23 VanDerWaalsContact O-CG1 3.29Å; A19-I23 WeakPolarHBondContact O-CG1 3.49Å; A19-I23 PolarHBondContact O-N 3.08Å
20G94Very high92.2Very high2 Ų265.2 Ų65.22%0.02138%0.378CS..Hα-helixtrans-56-54.5175.400000112.4I16 T17 L18 K22 I23 A24 S43I16-G20 WeakPolarHBondContact O-CA 3.33Å; I16-G20 PolarHBondContact O-N 3.47Å; T17-G20 PolarHBondContact O-N 2.88Å; L18-G20 VanDerWaalsContact C-N 3.33Å; G20-K22 VanDerWaalsContact C-N 3.3Å; G20-K22 PolarHBondContact O-N 2.91Å; G20-I23 PolarHBondContact O-N 3.24Å; G20-A24 WeakPolarHBondContact O-CB 3.26Å; G20-A24 PolarHBondContact O-N 2.9Å; G20-S43 WeakPolarHBondContact CA-OG 3.26Å
21F93.1Very high92.7Very high59 Ų5971.2 Ų71.226%0.25941%0.41SS..Hα-helixtrans-60.9-38.3175.4-82.2-66.8000112.9T17 I23 G25 E40 I103 S105 L108T17-F21 HydrophobicContact CG2-CD2 3.79Å; T17-F21 HydrophobicContact CG2-CE2 3.65Å; T17-F21 VanDerWaalsContact O-CD2 3.23Å; T17-F21 WeakPolarHBondContact O-CD2 3.5Å; T17-F21 PolarHBondContact O-N 3.28Å; F21-I23 VanDerWaalsContact C-N 3.35Å; F21-G25 PolarHBondContact O-N 3.46Å; F21-E40 HydrophobicContact CE1-CG 4.4Å; F21-E40 WeakPolarHBondContact CE1-OE2 3.45Å; F21-I103 HydrophobicContact CE1-CD1 4.04Å; F21-I103 HydrophobicContact CZ-CD1 4.25Å; F21-S105 WeakPolarHBondContact CZ-OG 3.43Å; F21-L108 HydrophobicContact CE2-CD1 4.4Å; F21-L108 HydrophobicContact CE2-CD2 3.95Å; F21-L108 HydrophobicContact CE2-CG 3.81Å; F21-L108 HydrophobicContact CZ-CD1 4.06Å; F21-L108 HydrophobicContact CZ-CD2 4.37Å; F21-L108 HydrophobicContact CZ-CG 3.72Å
22K95.1Very high93Very high169 Ų16970.9 Ų70.974%0.73540%0.402SS*.Hα-helixtrans-64.9-39.9178.9-177.559.9179.4176.10112.2L18 A19 G20L18-K22 WeakPolarHBondContact O-CB 3.27Å; L18-K22 PolarHBondContact O-N 3.45Å; A19-K22 PolarHBondContact O-N 3.35Å; G20-K22 VanDerWaalsContact C-N 3.3Å; G20-K22 PolarHBondContact O-N 2.91Å
23I95.3Very high93.1Very high66 Ų6673.6 Ų73.634%0.33842%0.416SS..Hα-helixtrans-75.1-44.2177.3-63.1165.6000110A19 G20 F21 G25 K26 H36 F39A19-I23 VanDerWaalsContact O-CG1 3.29Å; A19-I23 WeakPolarHBondContact O-CG1 3.49Å; A19-I23 PolarHBondContact O-N 3.08Å; G20-I23 PolarHBondContact O-N 3.24Å; F21-I23 VanDerWaalsContact C-N 3.35Å; I23-G25 VanDerWaalsContact C-N 3.25Å; I23-G25 PolarHBondContact O-N 2.89Å; I23-K26 WeakPolarHBondContact O-CB 3.42Å; I23-K26 PolarHBondContact O-N 3.39Å; I23-H36 HydrophobicContact CG2-CB 4.35Å; I23-H36 WeakPolarHBondContact O-CB 3.43Å; I23-F39 HydrophobicContact CB-CB 4.27Å; I23-F39 HydrophobicContact CB-CD1 4.3Å; I23-F39 HydrophobicContact CB-CG 4.18Å; I23-F39 HydrophobicContact CD1-CD1 4.27Å; I23-F39 HydrophobicContact CD1-CE1 4.36Å; I23-F39 HydrophobicContact CG2-CB 3.88Å; I23-F39 HydrophobicContact CG2-CD1 3.7Å; I23-F39 HydrophobicContact CG2-CD2 3.49Å; I23-F39 VanDerWaalsContact CG2-CD2 3.49Å; I23-F39 HydrophobicContact CG2-CE1 4.06Å; I23-F39 HydrophobicContact CG2-CE2 3.86Å; I23-F39 HydrophobicContact CG2-CG 3.39Å; I23-F39 HydrophobicContact CG2-CZ 4.13Å
24A93.9Very high93.2Very high6 Ų678.8 Ų78.85%0.0544%0.437CS..Hα-helixtrans-58.3-36.5178.700000112.7G20 K26 H36 E37 F39 E40G20-A24 WeakPolarHBondContact O-CB 3.26Å; G20-A24 PolarHBondContact O-N 2.9Å; A24-K26 PolarHBondContact O-N 3.49Å; A24-H36 WeakPolarHBondContact CA-O 3.39Å; A24-E37 WeakPolarHBondContact O-CG 3.45Å; A24-F39 HydrophobicContact CB-CB 4.43Å; A24-E40 HydrophobicContact CB-CB 4.16Å
25G93Very high93.4Very high65 Ų6577.4 Ų77.467%0.6743%0.43SS*.THydrogen-bonded Turntrans-76.63.8175.400000115.3F21 I23F21-G25 PolarHBondContact O-N 3.46Å; I23-G25 VanDerWaalsContact C-N 3.25Å; I23-G25 PolarHBondContact O-N 2.89Å
26K94.1Very high93.4Very high97 Ų9773.6 Ų73.642%0.42241%0.406SS..SBendtrans-75.6132.6174.3-170-174.4175.5-159.20109.2I23 A24 D29 H36I23-K26 WeakPolarHBondContact O-CB 3.42Å; I23-K26 PolarHBondContact O-N 3.39Å; A24-K26 PolarHBondContact O-N 3.49Å; K26-D29 VanDerWaalsContact CE-OD2 3.29Å; K26-D29 WeakPolarHBondContact CE-OD2 3.31Å; K26-D29 IonicContact NZ-OD2 2.71Å; K26-D29 PolarHBondContact NZ-OD2 3.5Å; K26-H36 HydrophobicContact CB-CB 4.18Å
27P91.9Very high93.4Very high103 Ų10373.6 Ų73.667%0.66941%0.405SS*.PPolyproline II helixtrans-62.5168.6175.328.7-36000111.6H36P27-H36 PolarHBondContact O-ND1 3.21Å
28A92.5Very high93.6Very high59 Ų5976.4 Ų76.449%0.48842%0.415SS..PPolyproline II helixtrans-55.9145.6170.800000112H32 P33A28-H32 WeakPolarHBondContact CA-O 3.43Å; A28-P33 VanDerWaalsContact CB-O 3.29Å; A28-P33 WeakPolarHBondContact CB-O 3.33Å
29D94.9Very high93.6Very high47 Ų4773.4 Ų73.425%0.25140%0.397SS..  trans-139.7-178.1174.862.725.2000110.9K26 D31 H32 H36K26-D29 VanDerWaalsContact CE-OD2 3.29Å; K26-D29 WeakPolarHBondContact CE-OD2 3.31Å; K26-D29 IonicContact NZ-OD2 2.71Å; K26-D29 PolarHBondContact NZ-OD2 3.5Å; D29-D31 VanDerWaalsContact C-N 3.27Å; D29-D31 PolarHBondContact O-N 2.88Å; D29-D31 PolarHBondContact OD1-N 3.43Å; D29-H32 PolarHBondContact N-O 2.8Å; D29-H32 CarbonylContact O-C 3.55Å; D29-H32 PolarHBondContact O-N 2.66Å; D29-H32 IonicContact OD1-CG 3.4Å; D29-H32 PolarHBondContact OD1-N 3.39Å; D29-H32 IonicContact OD1-ND1 2.75Å; D29-H32 PolarHBondContact OD1-ND1 3.35Å; D29-H36 IonicContact OD1-CE1 3.91Å; D29-H36 IonicContact OD2-CE1 3.36Å; D29-H36 PolarHBondContact OD2-CE1 3.11Å; D29-H36 IonicContact OD2-NE2 3.39Å
30E94.9Very high93.6Very high195 Ų19571.9 Ų71.991%0.91138%0.381SS*.SBendtrans-60.7-34.1-176.2-63.9-177.4173.100113
31D94.5Very high93.6Very high139 Ų13972.6 Ų72.674%0.74338%0.384SS*.SBendtrans-81.7-28.4179.2-67.2-40.5000111.9D29D29-D31 VanDerWaalsContact C-N 3.27Å; D29-D31 PolarHBondContact O-N 2.88Å; D29-D31 PolarHBondContact OD1-N 3.43Å
32H92.9Very high93.8Very high79 Ų7972.9 Ų72.937%0.36639%0.387SS..  trans-132.179.8-177.8-49.983.6000111.7A28 D29 Y34 G35 H36A28-H32 WeakPolarHBondContact CA-O 3.43Å; D29-H32 PolarHBondContact N-O 2.8Å; D29-H32 CarbonylContact O-C 3.55Å; D29-H32 PolarHBondContact O-N 2.66Å; D29-H32 IonicContact OD1-CG 3.4Å; D29-H32 PolarHBondContact OD1-N 3.39Å; D29-H32 IonicContact OD1-ND1 2.75Å; D29-H32 PolarHBondContact OD1-ND1 3.35Å; H32-Y34 PolarHBondContact O-N 2.85Å; H32-G35 PolarHBondContact O-N 2.89Å; H32-H36 AromaticContact CE1-NE2 3.78Å; H32-H36 AromaticContact CG-CE1 3.78Å; H32-H36 AromaticContact CG-NE2 3.62Å; H32-H36 AromaticContact ND1-CE1 3.59Å; H32-H36 AromaticContact ND1-NE2 3.2Å; H32-H36 PolarHBondContact ND1-NE2 2.89Å
33P91.6Very high93.7Very high94 Ų9465.4 Ų65.461%0.6136%0.356SS*.THydrogen-bonded Turntrans-62.4-26.2-176.2-26.235.5000114.9A28 G35A28-P33 VanDerWaalsContact CB-O 3.29Å; A28-P33 WeakPolarHBondContact CB-O 3.33Å; P33-G35 VanDerWaalsContact C-N 3.32Å
34Y90.6Very high93.7Very high110 Ų11062.2 Ų62.243%0.43134%0.34SS..THydrogen-bonded Turntrans-906.8177.1-65.3-73.6000113.5H32 Y200 F206H32-Y34 PolarHBondContact O-N 2.85Å; Y34-Y200 AromaticContact CD1-CD2 3.97Å; Y34-Y200 HydrophobicContact CD1-CD2 3.97Å; Y34-Y200 AromaticContact CD1-CE2 3.8Å; Y34-Y200 HydrophobicContact CD1-CE2 3.8Å; Y34-Y200 HydrophobicContact CD2-CD1 4.49Å; Y34-Y200 AromaticContact CD2-CE1 3.98Å; Y34-Y200 HydrophobicContact CD2-CE1 3.98Å; Y34-Y200 HydrophobicContact CD2-CE2 4.08Å; Y34-Y200 AromaticContact CD2-CZ 3.75Å; Y34-Y200 HydrophobicContact CE1-CE2 4.13Å; Y34-Y200 HydrophobicContact CE2-CE2 4.38Å; Y34-Y200 HydrophobicContact CG-CD1 4.22Å; Y34-Y200 AromaticContact CG-CD2 3.94Å; Y34-Y200 HydrophobicContact CG-CD2 3.94Å; Y34-Y200 HydrophobicContact CG-CE1 4.12Å; Y34-Y200 AromaticContact CG-CE2 3.78Å; Y34-Y200 HydrophobicContact CG-CE2 3.78Å; Y34-Y200 HydrophobicContact CG-CG 4.15Å; Y34-Y200 AromaticContact CG-CZ 3.9Å; Y34-F206 HydrophobicContact CD1-CD1 4.01Å; Y34-F206 HydrophobicContact CD1-CD2 4.3Å; Y34-F206 AromaticContact CD1-CE1 3.61Å; Y34-F206 HydrophobicContact CD1-CE1 3.61Å; Y34-F206 AromaticContact CD1-CE2 3.91Å; Y34-F206 HydrophobicContact CD1-CE2 3.91Å; Y34-F206 HydrophobicContact CD1-CG 4.35Å; Y34-F206 AromaticContact CD1-CZ 3.57Å; Y34-F206 HydrophobicContact CD1-CZ 3.57Å; Y34-F206 AromaticContact CE1-CD1 3.99Å; Y34-F206 HydrophobicContact CE1-CD1 3.99Å; Y34-F206 AromaticContact CE1-CE1 3.93Å; Y34-F206 HydrophobicContact CE1-CE1 3.93Å; Y34-F206 HydrophobicContact CE1-CG 4.48Å; Y34-F206 HydrophobicContact CE1-CZ 4.35Å
35G92.8Very high93.8Very high19 Ų1964.7 Ų64.720%0.19635%0.35CS..  trans85.4-176.6-17700000113.9H32 P33H32-G35 PolarHBondContact O-N 2.89Å; P33-G35 VanDerWaalsContact C-N 3.32Å
36H94.3Very high93.9Very high11 Ų1164.3 Ų64.35%0.05133%0.334CS..SBendtrans-108.33.1-172.9-68.672.2000113.1I23 A24 K26 P27 D29 H32 R38 F39I23-H36 HydrophobicContact CG2-CB 4.35Å; I23-H36 WeakPolarHBondContact O-CB 3.43Å; A24-H36 WeakPolarHBondContact CA-O 3.39Å; K26-H36 HydrophobicContact CB-CB 4.18Å; P27-H36 PolarHBondContact O-ND1 3.21Å; D29-H36 IonicContact OD1-CE1 3.91Å; D29-H36 IonicContact OD2-CE1 3.36Å; D29-H36 PolarHBondContact OD2-CE1 3.11Å; D29-H36 IonicContact OD2-NE2 3.39Å; H32-H36 AromaticContact CE1-NE2 3.78Å; H32-H36 AromaticContact CG-CE1 3.78Å; H32-H36 AromaticContact CG-NE2 3.62Å; H32-H36 AromaticContact ND1-CE1 3.59Å; H32-H36 AromaticContact ND1-NE2 3.2Å; H32-H36 PolarHBondContact ND1-NE2 2.89Å; H36-R38 PolarHBondContact O-N 3.2Å; H36-R38 VanDerWaalsContact O-N 3.09Å; H36-F39 HydrophobicContact CB-CD2 4.28Å; H36-F39 VanDerWaalsContact O-CB 3.27Å; H36-F39 WeakPolarHBondContact O-CB 3.33Å; H36-F39 PolarHBondContact O-N 2.76Å
37E93.5Very high93.9Very high41 Ų4159.7 Ų59.719%0.19231%0.314CS..THydrogen-bonded Turntrans-59.6-28.5-169.9-71.6-170.4-136.400114A24 F39 E40 Y200 N203 S204A24-E37 WeakPolarHBondContact O-CG 3.45Å; E37-F39 PolarHBondContact O-N 3Å; E37-E40 VanDerWaalsContact O-CB 3.31Å; E37-E40 WeakPolarHBondContact O-CB 3.28Å; E37-E40 PolarHBondContact O-N 2.87Å; E37-Y200 CarbonylContact C-O 3.45Å; E37-Y200 WeakPolarHBondContact CB-O 3.33Å; E37-N203 WeakPolarHBondContact OE2-CA 3.41Å; E37-N203 WeakPolarHBondContact OE2-CB 3.17Å; E37-N203 PolarHBondContact OE2-N 3.25Å; E37-S204 PolarHBondContact OE1-OG 3.48Å; E37-S204 PolarHBondContact OE2-N 2.92Å
38R94Very high94Very high71 Ų7154.8 Ų54.827%0.26828%0.282SS..THydrogen-bonded Turntrans-57.1-20.5171.9-70.7-160173.7163.84113.6H36 E40 Y41 I42 S199 Y200H36-R38 PolarHBondContact O-N 3.2Å; H36-R38 VanDerWaalsContact O-N 3.09Å; R38-E40 PolarHBondContact O-N 3.17Å; R38-Y41 HydrophobicContact CG-CD2 4.45Å; R38-Y41 WeakPolarHBondContact O-CB 3.15Å; R38-Y41 PolarHBondContact O-N 3.24Å; R38-I42 PolarHBondContact O-N 3.21Å; R38-I42 VanDerWaalsContact O-N 3.08Å; R38-S199 PolarHBondContact NE-O 2.88Å; R38-S199 PolarHBondContact NH2-O 2.99Å; R38-Y200 HydrophobicContact CG-CD1 4.4Å; R38-Y200 WeakPolarHBondContact CG-O 3.42Å; R38-Y200 PolarHBondContact N-O 2.87Å
39F94.5Very high94.2Very high65 Ų6555.5 Ų55.529%0.28528%0.277SS..Hα-helixtrans-58.1-26.3171.4-93.4-89.9000112.4I23 A24 H36 E37 I42 S43I23-F39 HydrophobicContact CB-CB 4.27Å; I23-F39 HydrophobicContact CB-CD1 4.3Å; I23-F39 HydrophobicContact CB-CG 4.18Å; I23-F39 HydrophobicContact CD1-CD1 4.27Å; I23-F39 HydrophobicContact CD1-CE1 4.36Å; I23-F39 HydrophobicContact CG2-CB 3.88Å; I23-F39 HydrophobicContact CG2-CD1 3.7Å; I23-F39 HydrophobicContact CG2-CD2 3.49Å; I23-F39 VanDerWaalsContact CG2-CD2 3.49Å; I23-F39 HydrophobicContact CG2-CE1 4.06Å; I23-F39 HydrophobicContact CG2-CE2 3.86Å; I23-F39 HydrophobicContact CG2-CG 3.39Å; I23-F39 HydrophobicContact CG2-CZ 4.13Å; A24-F39 HydrophobicContact CB-CB 4.43Å; H36-F39 HydrophobicContact CB-CD2 4.28Å; H36-F39 VanDerWaalsContact O-CB 3.27Å; H36-F39 WeakPolarHBondContact O-CB 3.33Å; H36-F39 PolarHBondContact O-N 2.76Å; E37-F39 PolarHBondContact O-N 3Å; F39-I42 HydrophobicContact CD1-CD1 4.39Å; F39-I42 HydrophobicContact CG-CD1 4.43Å; F39-I42 PolarHBondContact O-N 3.39Å; F39-S43 WeakPolarHBondContact O-CB 3.47Å; F39-S43 PolarHBondContact O-N 3.13Å; F39-S43 PolarHBondContact O-OG 3.04Å
40E94.5Very high94Very high12 Ų1255.4 Ų55.46%0.05628%0.277CS..Hα-helixtrans-59.8-48.2172-174.6173.8153.300110.9F21 A24 E37 R38 I42 S43 G44 S105 T107F21-E40 HydrophobicContact CE1-CG 4.4Å; F21-E40 WeakPolarHBondContact CE1-OE2 3.45Å; A24-E40 HydrophobicContact CB-CB 4.16Å; E37-E40 VanDerWaalsContact O-CB 3.31Å; E37-E40 WeakPolarHBondContact O-CB 3.28Å; E37-E40 PolarHBondContact O-N 2.87Å; R38-E40 PolarHBondContact O-N 3.17Å; E40-I42 VanDerWaalsContact C-N 3.34Å; E40-I42 PolarHBondContact O-N 3.18Å; E40-S43 PolarHBondContact O-N 2.77Å; E40-G44 PolarHBondContact O-N 2.93Å; E40-S105 VanDerWaalsContact OE1-CA 3.25Å; E40-S105 WeakPolarHBondContact OE1-CA 3.49Å; E40-S105 WeakPolarHBondContact OE1-CB 3.49Å; E40-S105 PolarHBondContact OE1-OG 3.02Å; E40-T107 HydrophobicContact CG-CG2 4.47Å; E40-T107 WeakPolarHBondContact CG-OG1 3.29Å; E40-T107 PolarHBondContact O-OG1 3.08Å
41Y94.6Very high93.9Very high17 Ų1746.2 Ų46.27%0.06723%0.233CC..Hα-helixtrans-63.9-38.9176.5-56-35.7000112R38 G44 F45 F162 D165 P202R38-Y41 HydrophobicContact CG-CD2 4.45Å; R38-Y41 WeakPolarHBondContact O-CB 3.15Å; R38-Y41 PolarHBondContact O-N 3.24Å; Y41-G44 PolarHBondContact O-N 2.94Å; Y41-F45 VanDerWaalsContact O-CB 3.3Å; Y41-F45 WeakPolarHBondContact O-CB 3.19Å; Y41-F45 PolarHBondContact O-N 3.13Å; Y41-F162 HydrophobicContact CD1-CD1 4.34Å; Y41-F162 HydrophobicContact CD1-CE1 4.49Å; Y41-F162 WeakPolarHBondContact O-CD1 3.3Å; Y41-D165 HydrophobicContact CD1-CB 4.08Å; Y41-D165 HydrophobicContact CD2-CB 3.99Å; Y41-D165 HydrophobicContact CE1-CB 4.2Å; Y41-D165 HydrophobicContact CE2-CB 4.12Å; Y41-D165 HydrophobicContact CG-CB 3.98Å; Y41-P202 HydrophobicContact CE1-CG 4Å
42I95.6Very high93.9Very high65 Ų6540.3 Ų40.333%0.33320%0.202SC..Hα-helixtrans-62-45.4175.9-61.9173.4000110.4R38 F39 E40 F45 V46 L166R38-I42 PolarHBondContact O-N 3.21Å; R38-I42 VanDerWaalsContact O-N 3.08Å; F39-I42 HydrophobicContact CD1-CD1 4.39Å; F39-I42 HydrophobicContact CG-CD1 4.43Å; F39-I42 PolarHBondContact O-N 3.39Å; E40-I42 VanDerWaalsContact C-N 3.34Å; E40-I42 PolarHBondContact O-N 3.18Å; I42-F45 WeakPolarHBondContact O-CB 3.02Å; I42-F45 PolarHBondContact O-N 2.91Å; I42-V46 WeakPolarHBondContact O-CG2 3.43Å; I42-V46 PolarHBondContact O-N 2.99Å; I42-L166 HydrophobicContact CG1-CD2 3.93Å
43S94.7Very high93.9Very high12 Ų1242.3 Ų42.38%0.08421%0.208CC..Hα-helixtrans-62.5-44.3176.5-74.60000111.8I16 G20 F39 E40 F45 V46 I47I16-S43 PolarHBondContact O-OG 2.97Å; G20-S43 WeakPolarHBondContact CA-OG 3.26Å; F39-S43 WeakPolarHBondContact O-CB 3.47Å; F39-S43 PolarHBondContact O-N 3.13Å; F39-S43 PolarHBondContact O-OG 3.04Å; E40-S43 PolarHBondContact O-N 2.77Å; S43-F45 VanDerWaalsContact C-N 3.33Å; S43-F45 PolarHBondContact O-N 3.4Å; S43-V46 PolarHBondContact O-N 3.22Å; S43-I47 WeakPolarHBondContact O-CB 3.33Å; S43-I47 WeakPolarHBondContact O-CD1 3.48Å; S43-I47 WeakPolarHBondContact O-CG1 2.77Å; S43-I47 PolarHBondContact O-N 2.82Å
44G94.8Very high93.8Very high0 Ų039 Ų390%019%0.186CC..Hα-helixtrans-60.7-40.7174.600000113.1E40 Y41 I47 S48 T107 F162E40-G44 PolarHBondContact O-N 2.93Å; Y41-G44 PolarHBondContact O-N 2.94Å; G44-I47 PolarHBondContact O-N 2.67Å; G44-S48 WeakPolarHBondContact O-CB 3.37Å; G44-S48 PolarHBondContact O-N 2.76Å; G44-S48 PolarHBondContact O-OG 3.33Å; G44-T107 WeakPolarHBondContact CA-OG1 3.36Å; G44-T107 PolarHBondContact N-OG1 3.36Å; G44-F162 VanDerWaalsContact CA-CZ 3.42Å; G44-F162 WeakPolarHBondContact O-CD2 3.47Å; G44-F162 VanDerWaalsContact O-CE2 3.31Å; G44-F162 WeakPolarHBondContact O-CE2 3.41Å
45F96Very high94Very high58 Ų5833.9 Ų33.925%0.25417%0.166SC..Hα-helixtrans-60.8-49.1173.8174.8-104.9000111.9Y41 I42 S43 I47 S48 I49 I159 F162 I163Y41-F45 VanDerWaalsContact O-CB 3.3Å; Y41-F45 WeakPolarHBondContact O-CB 3.19Å; Y41-F45 PolarHBondContact O-N 3.13Å; I42-F45 WeakPolarHBondContact O-CB 3.02Å; I42-F45 PolarHBondContact O-N 2.91Å; S43-F45 VanDerWaalsContact C-N 3.33Å; S43-F45 PolarHBondContact O-N 3.4Å; F45-I47 PolarHBondContact O-N 3.06Å; F45-S48 WeakPolarHBondContact O-CB 3.38Å; F45-S48 PolarHBondContact O-N 3.28Å; F45-I49 HydrophobicContact CD1-CD1 3.99Å; F45-I49 HydrophobicContact CE1-CD1 3.48Å; F45-I49 VanDerWaalsContact CE1-CD1 3.48Å; F45-I49 HydrophobicContact CE2-CD1 4.28Å; F45-I49 HydrophobicContact CZ-CD1 3.65Å; F45-I49 PolarHBondContact O-N 3.19Å; F45-I159 HydrophobicContact CD2-CG2 4.32Å; F45-I159 HydrophobicContact CE2-CG2 3.88Å; F45-F162 HydrophobicContact CB-CB 3.85Å; F45-F162 HydrophobicContact CB-CG 4.35Å; F45-F162 HydrophobicContact CD2-CB 4.38Å; F45-I163 HydrophobicContact CD2-CG1 4.11Å; F45-I163 HydrophobicContact CE2-CD1 4.02Å; F45-I163 HydrophobicContact CE2-CG1 3.71Å
46V95.3Very high94Very high56 Ų5636.4 Ų36.434%0.33917%0.174SC..Hα-helixtrans-62.1-43.3177.8174.90000111.3I16 I42 S43 S48 I49 L50I16-V46 HydrophobicContact CD1-CG1 3.97Å; I16-V46 HydrophobicContact CG2-CB 4.49Å; I16-V46 HydrophobicContact CG2-CG1 4.41Å; I42-V46 WeakPolarHBondContact O-CG2 3.43Å; I42-V46 PolarHBondContact O-N 2.99Å; S43-V46 PolarHBondContact O-N 3.22Å; V46-S48 VanDerWaalsContact C-N 3.3Å; V46-S48 PolarHBondContact O-N 3.13Å; V46-I49 WeakPolarHBondContact O-CB 3.42Å; V46-I49 PolarHBondContact O-N 3.06Å; V46-L50 PolarHBondContact O-N 2.93Å
47I93.2Very high93.9Very high0 Ų041.9 Ų41.90%020%0.195CC..Hα-helixtrans-59.4-44.7175.1-68.8160.5000110.1I16 T17 S43 G44 F45 I49 L50 V51 T107I16-I47 HydrophobicContact CB-CG1 4.38Å; I16-I47 HydrophobicContact CG2-CD1 4.23Å; I16-I47 HydrophobicContact CG2-CG1 3.94Å; T17-I47 WeakPolarHBondContact OG1-CD1 3.22Å; S43-I47 WeakPolarHBondContact O-CB 3.33Å; S43-I47 WeakPolarHBondContact O-CD1 3.48Å; S43-I47 WeakPolarHBondContact O-CG1 2.77Å; S43-I47 PolarHBondContact O-N 2.82Å; G44-I47 PolarHBondContact O-N 2.67Å; F45-I47 PolarHBondContact O-N 3.06Å; I47-I49 VanDerWaalsContact C-N 3.27Å; I47-I49 PolarHBondContact O-N 3.45Å; I47-L50 WeakPolarHBondContact O-CB 3.29Å; I47-L50 PolarHBondContact O-N 3.48Å; I47-V51 HydrophobicContact CG2-CG2 4.18Å; I47-V51 VanDerWaalsContact O-CG2 3.27Å; I47-V51 WeakPolarHBondContact O-CG2 3.43Å; I47-V51 PolarHBondContact O-N 2.87Å; I47-T107 HydrophobicContact CD1-CG2 4.04Å
48S94.7Very high93.8Very high0 Ų041.3 Ų41.30%019%0.192CC..Hα-helixtrans-62.7-33.7179.8-54.10000112.6G44 F45 V46 T52 M158 F162G44-S48 WeakPolarHBondContact O-CB 3.37Å; G44-S48 PolarHBondContact O-N 2.76Å; G44-S48 PolarHBondContact O-OG 3.33Å; F45-S48 WeakPolarHBondContact O-CB 3.38Å; F45-S48 PolarHBondContact O-N 3.28Å; V46-S48 VanDerWaalsContact C-N 3.3Å; V46-S48 PolarHBondContact O-N 3.13Å; S48-T52 WeakPolarHBondContact O-CB 3.27Å; S48-T52 PolarHBondContact O-N 2.8Å; S48-T52 PolarHBondContact O-OG1 3.12Å; S48-M158 VanDerWaalsContact OG-CB 3.3Å; S48-M158 WeakPolarHBondContact OG-CB 3.14Å; S48-M158 WeakPolarHBondContact OG-CE 3.48Å; S48-F162 WeakPolarHBondContact OG-CD2 3.39Å; S48-F162 WeakPolarHBondContact OG-CE2 3.48Å
49I95.2Very high93.8Very high75 Ų7539.6 Ų39.639%0.38519%0.188SC..Hα-helixtrans-65.2-46.5170.9-68.5170.3000110.8F45 V46 I47 T52 Y53 I159F45-I49 HydrophobicContact CD1-CD1 3.99Å; F45-I49 HydrophobicContact CE1-CD1 3.48Å; F45-I49 VanDerWaalsContact CE1-CD1 3.48Å; F45-I49 HydrophobicContact CE2-CD1 4.28Å; F45-I49 HydrophobicContact CZ-CD1 3.65Å; F45-I49 PolarHBondContact O-N 3.19Å; V46-I49 WeakPolarHBondContact O-CB 3.42Å; V46-I49 PolarHBondContact O-N 3.06Å; I47-I49 VanDerWaalsContact C-N 3.27Å; I47-I49 PolarHBondContact O-N 3.45Å; I49-T52 PolarHBondContact O-N 3.38Å; I49-Y53 WeakPolarHBondContact O-CB 3.39Å; I49-Y53 PolarHBondContact O-N 3.39Å; I49-I159 HydrophobicContact CG1-CD1 4.08Å; I49-I159 HydrophobicContact CG1-CG1 4.33Å
50L92.5Very high93.8Very high45 Ų4539.7 Ų39.724%0.23619%0.191CC..Hα-helixtrans-60.9-46.4178-69.2175.5000111.8A12 I16 V46 I47 T52 Y53 V54A12-L50 HydrophobicContact CB-CD1 4.47Å; I16-L50 HydrophobicContact CD1-CD1 3.5Å; I16-L50 VanDerWaalsContact CD1-CD1 3.5Å; V46-L50 PolarHBondContact O-N 2.93Å; I47-L50 WeakPolarHBondContact O-CB 3.29Å; I47-L50 PolarHBondContact O-N 3.48Å; L50-T52 VanDerWaalsContact C-N 3.32Å; L50-T52 PolarHBondContact O-N 3.07Å; L50-Y53 WeakPolarHBondContact O-CB 3.28Å; L50-Y53 PolarHBondContact O-N 2.75Å; L50-V54 WeakPolarHBondContact O-CG2 3.49Å; L50-V54 PolarHBondContact O-N 3.4Å
51V91.8Very high93.6Very high1 Ų140.7 Ų40.71%0.00620%0.199CC..Hα-helixtrans-55.9-47.8175.1174.50000110.8I47 Y53 V54 G55 D114 N117 I151I47-V51 HydrophobicContact CG2-CG2 4.18Å; I47-V51 VanDerWaalsContact O-CG2 3.27Å; I47-V51 WeakPolarHBondContact O-CG2 3.43Å; I47-V51 PolarHBondContact O-N 2.87Å; V51-Y53 VanDerWaalsContact C-N 3.35Å; V51-Y53 PolarHBondContact O-N 3.32Å; V51-V54 PolarHBondContact O-N 3.03Å; V51-G55 PolarHBondContact O-N 2.88Å; V51-D114 HydrophobicContact CG2-CB 3.85Å; V51-D114 WeakPolarHBondContact CG2-OD1 3.48Å; V51-N117 WeakPolarHBondContact CG1-ND2 3.43Å; V51-I151 HydrophobicContact CG1-CG2 4.3Å
52T94.3Very high93.4Very high15 Ų1539.9 Ų39.99%0.09220%0.196CC..Hα-helixtrans-62.8-43.4179-55.50000110.9S48 I49 L50 G55 I56 I152 G155 V156 I159S48-T52 WeakPolarHBondContact O-CB 3.27Å; S48-T52 PolarHBondContact O-N 2.8Å; S48-T52 PolarHBondContact O-OG1 3.12Å; I49-T52 PolarHBondContact O-N 3.38Å; L50-T52 VanDerWaalsContact C-N 3.32Å; L50-T52 PolarHBondContact O-N 3.07Å; T52-G55 PolarHBondContact O-N 3.46Å; T52-I56 HydrophobicContact CG2-CD1 4.25Å; T52-I56 WeakPolarHBondContact O-CG1 3.39Å; T52-I56 PolarHBondContact O-N 3.45Å; T52-I152 HydrophobicContact CG2-CG2 4.46Å; T52-G155 VanDerWaalsContact OG1-CA 3.27Å; T52-G155 WeakPolarHBondContact OG1-CA 3.44Å; T52-V156 HydrophobicContact CG2-CG2 4.17Å; T52-I159 WeakPolarHBondContact OG1-CD1 3.36Å
53Y93.2Very high93.3Very high122 Ų12241.9 Ų41.948%0.47820%0.202SC..Hα-helixtrans-61.7-46.6177.1174.2-105.2000112I49 L50 V51 G55 I56 R57I49-Y53 WeakPolarHBondContact O-CB 3.39Å; I49-Y53 PolarHBondContact O-N 3.39Å; L50-Y53 WeakPolarHBondContact O-CB 3.28Å; L50-Y53 PolarHBondContact O-N 2.75Å; V51-Y53 VanDerWaalsContact C-N 3.35Å; V51-Y53 PolarHBondContact O-N 3.32Å; Y53-G55 VanDerWaalsContact C-N 3.3Å; Y53-G55 PolarHBondContact O-N 2.74Å; Y53-I56 PolarHBondContact O-N 2.91Å; Y53-R57 HydrophobicContact CD1-CG 4.44Å; Y53-R57 HydrophobicContact CD2-CG 4.47Å; Y53-R57 HydrophobicContact CE1-CG 4.01Å; Y53-R57 HydrophobicContact CE2-CG 4.04Å; Y53-R57 WeakPolarHBondContact O-CG 3.4Å; Y53-R57 PolarHBondContact O-N 3.12Å
54V90.5Very high93.2Very high25 Ų2546 Ų4615%0.15222%0.223CC..Hα-helixtrans-59.5-42.7174.41720000110.7N6 S9 L50 V51 I56 R57 F58N6-V54 WeakPolarHBondContact OD1-CG1 3.31Å; S9-V54 VanDerWaalsContact OG-CG2 3.28Å; S9-V54 WeakPolarHBondContact OG-CG2 3.27Å; L50-V54 WeakPolarHBondContact O-CG2 3.49Å; L50-V54 PolarHBondContact O-N 3.4Å; V51-V54 PolarHBondContact O-N 3.03Å; V54-I56 VanDerWaalsContact C-N 3.35Å; V54-I56 PolarHBondContact O-N 3.24Å; V54-R57 PolarHBondContact O-N 2.92Å; V54-F58 WeakPolarHBondContact O-CB 3.08Å; V54-F58 PolarHBondContact O-N 3.48Å
55G93.1Very high93Very high1 Ų149 Ų491%0.0124%0.236CC..Hα-helixtrans-57.1-43.3173.900000113.3V51 T52 Y53 F58 L59V51-G55 PolarHBondContact O-N 2.88Å; T52-G55 PolarHBondContact O-N 3.46Å; Y53-G55 VanDerWaalsContact C-N 3.3Å; Y53-G55 PolarHBondContact O-N 2.74Å; G55-F58 PolarHBondContact O-N 2.91Å; G55-L59 WeakPolarHBondContact O-CB 3.43Å; G55-L59 PolarHBondContact O-N 3.36Å
56I94.4Very high92.8Very high73 Ų7348.2 Ų48.237%0.37423%0.234SC..Hα-helixtrans-64.2-45.6175.6-66.8165.1000111T52 Y53 V54 F58 L59 D60 I152T52-I56 HydrophobicContact CG2-CD1 4.25Å; T52-I56 WeakPolarHBondContact O-CG1 3.39Å; T52-I56 PolarHBondContact O-N 3.45Å; Y53-I56 PolarHBondContact O-N 2.91Å; V54-I56 VanDerWaalsContact C-N 3.35Å; V54-I56 PolarHBondContact O-N 3.24Å; I56-F58 VanDerWaalsContact C-N 3.28Å; I56-F58 PolarHBondContact O-N 2.97Å; I56-L59 WeakPolarHBondContact O-CB 3.29Å; I56-L59 PolarHBondContact O-N 3.48Å; I56-D60 PolarHBondContact O-N 3.05Å; I56-I152 HydrophobicContact CG1-CD1 4.08Å; I56-I152 HydrophobicContact CG1-CG1 4.1Å
57R92.3Very high92.6Very high126 Ų12650.5 Ų50.548%0.47524%0.243SC..Hα-helixtrans-64-35.7177.1-63.2-56-66161.7-10.6112.1Y53 V54 D60 S61Y53-R57 HydrophobicContact CD1-CG 4.44Å; Y53-R57 HydrophobicContact CD2-CG 4.47Å; Y53-R57 HydrophobicContact CE1-CG 4.01Å; Y53-R57 HydrophobicContact CE2-CG 4.04Å; Y53-R57 WeakPolarHBondContact O-CG 3.4Å; Y53-R57 PolarHBondContact O-N 3.12Å; V54-R57 PolarHBondContact O-N 2.92Å; R57-D60 IonicContact CZ-OD2 2.71Å; R57-D60 IonicContact NH1-OD2 2.66Å; R57-D60 PolarHBondContact NH1-OD2 2.85Å; R57-S61 WeakPolarHBondContact O-CB 3.27Å; R57-S61 PolarHBondContact O-N 3.07Å; R57-S61 VanDerWaalsContact O-N 3.07Å
58F90.9Very high92.5Very high29 Ų2957.1 Ų57.113%0.12727%0.274CS..Hα-helixtrans-66.6-44.9174.2-171.3-130.1000110.8V54 G55 I56 D60 S61 S62 T121 I147 A148 I151V54-F58 WeakPolarHBondContact O-CB 3.08Å; V54-F58 PolarHBondContact O-N 3.48Å; G55-F58 PolarHBondContact O-N 2.91Å; I56-F58 VanDerWaalsContact C-N 3.28Å; I56-F58 PolarHBondContact O-N 2.97Å; F58-D60 PolarHBondContact O-N 2.96Å; F58-S61 PolarHBondContact O-N 3.36Å; F58-S61 VanDerWaalsContact O-N 3.13Å; F58-S61 PolarHBondContact O-OG 3.34Å; F58-S62 PolarHBondContact O-N 3.09Å; F58-S62 PolarHBondContact O-OG 3.23Å; F58-S62 VanDerWaalsContact O-OG 3.11Å; F58-T121 HydrophobicContact CD1-CG2 3.78Å; F58-T121 HydrophobicContact CE1-CG2 3.6Å; F58-T121 HydrophobicContact CG-CG2 4.42Å; F58-T121 HydrophobicContact CZ-CG2 4.08Å; F58-I147 HydrophobicContact CE1-CB 4.42Å; F58-I147 HydrophobicContact CE1-CG2 4.1Å; F58-A148 HydrophobicContact CB-CB 4.37Å; F58-A148 HydrophobicContact CD1-CB 3.65Å; F58-A148 HydrophobicContact CE1-CB 4.34Å; F58-A148 HydrophobicContact CG-CB 4.33Å; F58-I151 HydrophobicContact CD1-CD1 4.38Å
59L94.3Very high92Very high35 Ų3560 Ų6018%0.18329%0.293CS..Hα-helixtrans-55.5-49.2174.2-168.975.6000111.7G55 I56 S61 S62 F63 F145 A148 L149 I152G55-L59 WeakPolarHBondContact O-CB 3.43Å; G55-L59 PolarHBondContact O-N 3.36Å; I56-L59 WeakPolarHBondContact O-CB 3.29Å; I56-L59 PolarHBondContact O-N 3.48Å; L59-S61 VanDerWaalsContact C-N 3.3Å; L59-S61 PolarHBondContact O-N 2.94Å; L59-S62 PolarHBondContact O-N 2.99Å; L59-F63 WeakPolarHBondContact O-CB 3.39Å; L59-F63 PolarHBondContact O-N 3.36Å; L59-F145 HydrophobicContact CD1-CD2 3.57Å; L59-F145 HydrophobicContact CD1-CE2 3.68Å; L59-F145 HydrophobicContact CD1-CG 4.09Å; L59-F145 HydrophobicContact CD1-CZ 4.28Å; L59-F145 HydrophobicContact CG-CD2 4.32Å; L59-F145 HydrophobicContact CG-CE2 4.26Å; L59-A148 HydrophobicContact CB-CB 3.7Å; L59-A148 HydrophobicContact CD1-CB 3.66Å; L59-A148 HydrophobicContact CG-CB 4.31Å; L59-L149 HydrophobicContact CD1-CD2 3.89Å; L59-L149 HydrophobicContact CD1-CG 3.97Å; L59-L149 HydrophobicContact CD2-CD2 4.36Å; L59-I152 HydrophobicContact CB-CD1 4.07Å; L59-I152 HydrophobicContact CD2-CD1 3.85Å; L59-I152 HydrophobicContact CG-CD1 4.4Å
60D93.5Very high91.3Very high66 Ų6659.4 Ų59.435%0.35330%0.296SS..Hα-helixtrans-55-47.6175.9-73.1-18.7000110.7I56 R57 F58 F63 I64I56-D60 PolarHBondContact O-N 3.05Å; R57-D60 IonicContact CZ-OD2 2.71Å; R57-D60 IonicContact NH1-OD2 2.66Å; R57-D60 PolarHBondContact NH1-OD2 2.85Å; F58-D60 PolarHBondContact O-N 2.96Å; D60-F63 PolarHBondContact O-N 2.94Å; D60-I64 WeakPolarHBondContact O-CG1 3.32Å; D60-I64 PolarHBondContact O-N 3.03Å
61S90.1Very high90.5Very high33 Ų3361.4 Ų61.423%0.23131%0.306CS..Hα-helixtrans-65.1-40.5-179.279.40000112.4R57 F58 L59 I64 K65R57-S61 WeakPolarHBondContact O-CB 3.27Å; R57-S61 PolarHBondContact O-N 3.07Å; R57-S61 VanDerWaalsContact O-N 3.07Å; F58-S61 PolarHBondContact O-N 3.36Å; F58-S61 VanDerWaalsContact O-N 3.13Å; F58-S61 PolarHBondContact O-OG 3.34Å; L59-S61 VanDerWaalsContact C-N 3.3Å; L59-S61 PolarHBondContact O-N 2.94Å; S61-I64 PolarHBondContact O-N 3.2Å; S61-K65 WeakPolarHBondContact O-CG 3.39Å; S61-K65 PolarHBondContact O-N 3.09Å; S61-K65 VanDerWaalsContact O-N 3.1Å
62S91.8Very high89.7Confident1 Ų162.2 Ų62.21%0.00731%0.311CS..Hα-helixtrans-67.8-39.8176.9-60.70000111.5F58 L59 K65 I66 G141 G144 F145F58-S62 PolarHBondContact O-N 3.09Å; F58-S62 PolarHBondContact O-OG 3.23Å; F58-S62 VanDerWaalsContact O-OG 3.11Å; L59-S62 PolarHBondContact O-N 2.99Å; S62-K65 PolarHBondContact O-N 3.45Å; S62-K65 VanDerWaalsContact O-N 3.17Å; S62-I66 WeakPolarHBondContact O-CG1 3.38Å; S62-I66 PolarHBondContact O-N 2.93Å; S62-G141 WeakPolarHBondContact O-CA 3.32Å; S62-G144 WeakPolarHBondContact OG-CA 3.47Å; S62-F145 VanDerWaalsContact CB-N 3.33Å; S62-F145 PolarHBondContact OG-N 3.31Å
63F93.6Very high88.6Confident106 Ų10668.4 Ų68.447%0.46534%0.343SS..Hα-helixtrans-62.9-42.6175.6-172.9-104.6000112L59 D60 K65 I66 L67 F145L59-F63 WeakPolarHBondContact O-CB 3.39Å; L59-F63 PolarHBondContact O-N 3.36Å; D60-F63 PolarHBondContact O-N 2.94Å; F63-K65 VanDerWaalsContact C-N 3.3Å; F63-K65 PolarHBondContact O-N 3.03Å; F63-I66 WeakPolarHBondContact O-CB 3.43Å; F63-I66 PolarHBondContact O-N 2.91Å; F63-I66 VanDerWaalsContact O-N 3.13Å; F63-L67 HydrophobicContact CD1-CD1 4.08Å; F63-L67 HydrophobicContact CE1-CD1 3.61Å; F63-L67 HydrophobicContact CE1-CG 4.27Å; F63-L67 HydrophobicContact CZ-CD1 4.19Å; F63-L67 HydrophobicContact CZ-CG 4.5Å; F63-L67 PolarHBondContact O-N 2.55Å; F63-L67 VanDerWaalsContact O-N 3.15Å; F63-F145 HydrophobicContact CD2-CE2 4.27Å
64I92.4Very high87.9Confident99 Ų9964.7 Ų64.751%0.50833%0.331SS..Hα-helixtrans-60-41173.2-68.6166.9000111D60 S61 I66 L67 H68D60-I64 WeakPolarHBondContact O-CG1 3.32Å; D60-I64 PolarHBondContact O-N 3.03Å; S61-I64 PolarHBondContact O-N 3.2Å; I64-I66 VanDerWaalsContact C-N 3.29Å; I64-I66 PolarHBondContact O-N 2.82Å; I64-L67 PolarHBondContact O-N 2.89Å; I64-H68 PolarHBondContact O-N 3.06Å
65K89.5Confident87.7Confident64 Ų6466.2 Ų66.228%0.27834%0.343SS..Hα-helixtrans-67-26.6176.8-70-176-167.2-175.70113.4S61 S62 F63 H68 P69 D140S61-K65 WeakPolarHBondContact O-CG 3.39Å; S61-K65 PolarHBondContact O-N 3.09Å; S61-K65 VanDerWaalsContact O-N 3.1Å; S62-K65 PolarHBondContact O-N 3.45Å; S62-K65 VanDerWaalsContact O-N 3.17Å; F63-K65 VanDerWaalsContact C-N 3.3Å; F63-K65 PolarHBondContact O-N 3.03Å; K65-H68 CarbonylContact O-C 3.41Å; K65-P69 VanDerWaalsContact O-CA 3.26Å; K65-P69 WeakPolarHBondContact O-CA 3.48Å; K65-D140 WeakPolarHBondContact CD-OD2 3.08Å; K65-D140 WeakPolarHBondContact CE-OD2 3.31Å; K65-D140 IonicContact NZ-OD2 2.87Å; K65-D140 PolarHBondContact NZ-OD2 3.47Å
66I91.6Very high87.4Confident41 Ų4170.9 Ų70.921%0.2137%0.373CS..Hα-helixtrans-68.2-45.2171.2-65.7170.4000110.1S62 F63 I64 G141 Y142 F145S62-I66 WeakPolarHBondContact O-CG1 3.38Å; S62-I66 PolarHBondContact O-N 2.93Å; F63-I66 WeakPolarHBondContact O-CB 3.43Å; F63-I66 PolarHBondContact O-N 2.91Å; F63-I66 VanDerWaalsContact O-N 3.13Å; I64-I66 VanDerWaalsContact C-N 3.29Å; I64-I66 PolarHBondContact O-N 2.82Å; I66-G141 VanDerWaalsContact CG1-C 3.44Å; I66-Y142 HydrophobicContact CD1-CD1 4.08Å; I66-Y142 HydrophobicContact CD1-CE1 4.36Å; I66-Y142 HydrophobicContact CG1-CD1 4.28Å; I66-Y142 HydrophobicContact CG1-CE1 4.37Å; I66-Y142 HydrophobicContact CG1-CG 4.42Å; I66-Y142 HydrophobicContact CG2-CE1 4.04Å; I66-F145 HydrophobicContact CD1-CB 4.04Å; I66-F145 HydrophobicContact CD1-CD2 4.35Å; I66-F145 HydrophobicContact CD1-CG 4.29Å
67L92.7Very high87.2Confident103 Ų10373.1 Ų73.154%0.53938%0.384SS..Hα-helixtrans-71.8-35.9-179.9-65.4178.5000113.1F63 I64F63-L67 HydrophobicContact CD1-CD1 4.08Å; F63-L67 HydrophobicContact CE1-CD1 3.61Å; F63-L67 HydrophobicContact CE1-CG 4.27Å; F63-L67 HydrophobicContact CZ-CD1 4.19Å; F63-L67 HydrophobicContact CZ-CG 4.5Å; F63-L67 PolarHBondContact O-N 2.55Å; F63-L67 VanDerWaalsContact O-N 3.15Å; I64-L67 PolarHBondContact O-N 2.89Å
68H89.9Confident87.1Confident139 Ų13969.8 Ų69.864%0.64438%0.378SS*.SBendtrans-128.179.4-179.6-60.5-55.1000110.3I64 K65 S70I64-H68 PolarHBondContact O-N 3.06Å; K65-H68 CarbonylContact O-C 3.41Å; H68-S70 PolarHBondContact O-N 2.94Å
69P85.1Confident87Confident60 Ų6070.8 Ų70.839%0.3938%0.381SS..  trans-61109-178-24.435.1000111.8K65 R138K65-P69 VanDerWaalsContact O-CA 3.26Å; K65-P69 WeakPolarHBondContact O-CA 3.48Å; P69-R138 HydrophobicContact CB-CB 4.01Å; P69-R138 VanDerWaalsContact CB-CD 3.42Å; P69-R138 HydrophobicContact CB-CG 4.39Å; P69-R138 PolarHBondContact O-NH1 3.18Å
70S79.4Confident86.8Confident64 Ų6474.1 Ų74.145%0.44840%0.398SS..  trans-95.7148.2172.658.90000110.6H68H68-S70 PolarHBondContact O-N 2.94Å
71N76.3Confident86.7Confident87 Ų8775 Ų7547%0.46541%0.406SS..  trans-68.4134.7174.2-63.2-24.9000111L73 E132 R138N71-L73 HydrophobicContact CB-CD1 4.16Å; N71-L73 HydrophobicContact CB-CG 3.99Å; N71-L73 PolarHBondContact O-N 2.96Å; N71-E132 WeakPolarHBondContact CA-OE1 3.49Å; N71-E132 VanDerWaalsContact CB-OE1 3.25Å; N71-E132 WeakPolarHBondContact CB-OE1 3.36Å; N71-R138 PolarHBondContact OD1-NE 3.29Å; N71-R138 PolarHBondContact OD1-NH2 2.91Å
72V74.3Confident86.8Confident18 Ų1874.7 Ų74.711%0.10940%0.401CS..  trans-94.569.6171.5-1700000108.9L74 V125 A129 E132 D140V72-L74 HydrophobicContact CG1-CD2 4.13Å; V72-L74 HydrophobicContact CG1-CG 4.13Å; V72-L74 PolarHBondContact O-N 2.87Å; V72-V125 HydrophobicContact CG1-CG1 4.5Å; V72-A129 HydrophobicContact CB-CB 4.5Å; V72-A129 HydrophobicContact CG1-CB 3.87Å; V72-E132 WeakPolarHBondContact CB-OE2 3.21Å; V72-E132 VanDerWaalsContact N-CD 3.29Å; V72-E132 PolarHBondContact N-OE1 3.47Å; V72-E132 PolarHBondContact N-OE2 3.08Å; V72-D140 HydrophobicContact CG2-CB 3.77Å
73L72.4Confident86.8Confident145 Ų14578.5 Ų78.576%0.75942%0.421SS*.  trans-84.8100.5176.4-69.1169.3000110.1N71N71-L73 HydrophobicContact CB-CD1 4.16Å; N71-L73 HydrophobicContact CB-CG 3.99Å; N71-L73 PolarHBondContact O-N 2.96Å
74L78.9Confident86.9Confident43 Ų4378.2 Ų78.223%0.22542%0.423CS..  trans-93.8134.2175.1-55.7-177.5000110.6V72 V78 Y79 L82 V125 A129V72-L74 HydrophobicContact CG1-CD2 4.13Å; V72-L74 HydrophobicContact CG1-CG 4.13Å; V72-L74 PolarHBondContact O-N 2.87Å; L74-V78 HydrophobicContact CB-CB 4.26Å; L74-V78 HydrophobicContact CB-CG1 4.3Å; L74-V78 HydrophobicContact CD1-CG1 4.42Å; L74-V78 HydrophobicContact CD2-CG1 3.96Å; L74-V78 HydrophobicContact CG-CG1 4.45Å; L74-Y79 HydrophobicContact CB-CD2 4Å; L74-Y79 HydrophobicContact CB-CE2 3.61Å; L74-Y79 HydrophobicContact CD1-CD1 4.49Å; L74-Y79 HydrophobicContact CD1-CE1 4.13Å; L74-L82 HydrophobicContact CD1-CD1 3.79Å; L74-V125 HydrophobicContact CD1-CG1 4.41Å; L74-A129 HydrophobicContact CD1-CB 3.49Å; L74-A129 VanDerWaalsContact CD1-CB 3.49Å; L74-A129 HydrophobicContact CG-CB 3.93Å
75S85.4Confident86.8Confident58 Ų5875.6 Ų75.641%0.40641%0.414SS..  trans-64.9149.1168165.30000110.1I77 V78 Y79S75-I77 PolarHBondContact O-N 2.84Å; S75-I77 PolarHBondContact OG-N 2.84Å; S75-V78 WeakPolarHBondContact O-CA 3.34Å; S75-V78 WeakPolarHBondContact O-CB 3.37Å; S75-V78 PolarHBondContact O-N 2.81Å; S75-Y79 WeakPolarHBondContact O-CD2 3.36Å; S75-Y79 PolarHBondContact O-N 2.86Å
76P86.6Confident87Confident98 Ų9873.7 Ų73.764%0.63641%0.407SS*.Hα-helixtrans-49.9-33.6174-28.935.7000113.8V78 Y79 I80P76-V78 VanDerWaalsContact C-N 3.35Å; P76-Y79 PolarHBondContact O-N 3.08Å; P76-I80 PolarHBondContact O-N 2.86Å
77I90.8Very high87.2Confident120 Ų12076.9 Ų76.962%0.61542%0.424SS*.Hα-helixtrans-65.3-39.9176.4-62.8164.4000110.9S75 Y79 I80 V81S75-I77 PolarHBondContact O-N 2.84Å; S75-I77 PolarHBondContact OG-N 2.84Å; I77-Y79 PolarHBondContact O-N 3.24Å; I77-I80 PolarHBondContact O-N 3.38Å; I77-V81 HydrophobicContact CG2-CG2 4.46Å; I77-V81 WeakPolarHBondContact O-CG2 3.39Å; I77-V81 PolarHBondContact O-N 3.28Å
78V89.1Confident87.3Confident56 Ų5676.8 Ų76.834%0.33942%0.422SS..Hα-helixtrans-66.2-39.2-179.4179.60000110.7L74 S75 P76 I80 V81 L82L74-V78 HydrophobicContact CB-CB 4.26Å; L74-V78 HydrophobicContact CB-CG1 4.3Å; L74-V78 HydrophobicContact CD1-CG1 4.42Å; L74-V78 HydrophobicContact CD2-CG1 3.96Å; L74-V78 HydrophobicContact CG-CG1 4.45Å; S75-V78 WeakPolarHBondContact O-CA 3.34Å; S75-V78 WeakPolarHBondContact O-CB 3.37Å; S75-V78 PolarHBondContact O-N 2.81Å; P76-V78 VanDerWaalsContact C-N 3.35Å; V78-I80 VanDerWaalsContact C-N 3.32Å; V78-I80 PolarHBondContact O-N 3.18Å; V78-V81 PolarHBondContact O-N 2.81Å; V78-V81 VanDerWaalsContact O-N 3.15Å; V78-L82 HydrophobicContact CG1-CD1 4.34Å; V78-L82 HydrophobicContact CG1-CG 4.18Å; V78-L82 WeakPolarHBondContact O-CG 3.27Å; V78-L82 PolarHBondContact O-N 3.22Å
79Y88.8Confident87.5Confident51 Ų5171.3 Ų71.320%0.240%0.396CS..Hα-helixtrans-55.5-46.5173.2-78-78000112.3L74 S75 P76 I77 V81 L82 I83 L126 A129 I130L74-Y79 HydrophobicContact CB-CD2 4Å; L74-Y79 HydrophobicContact CB-CE2 3.61Å; L74-Y79 HydrophobicContact CD1-CD1 4.49Å; L74-Y79 HydrophobicContact CD1-CE1 4.13Å; S75-Y79 WeakPolarHBondContact O-CD2 3.36Å; S75-Y79 PolarHBondContact O-N 2.86Å; P76-Y79 PolarHBondContact O-N 3.08Å; I77-Y79 PolarHBondContact O-N 3.24Å; Y79-V81 VanDerWaalsContact C-N 3.34Å; Y79-V81 PolarHBondContact O-N 3.35Å; Y79-L82 PolarHBondContact O-N 3.13Å; Y79-I83 VanDerWaalsContact O-CG1 3.29Å; Y79-I83 WeakPolarHBondContact O-CG1 3.32Å; Y79-I83 PolarHBondContact O-N 3.43Å; Y79-L126 HydrophobicContact CD1-CD1 3.52Å; Y79-L126 HydrophobicContact CE1-CD1 3.95Å; Y79-A129 HydrophobicContact CE1-CB 4.15Å; Y79-A129 WeakPolarHBondContact OH-CB 3.44Å; Y79-I130 HydrophobicContact CE1-CG1 4.08Å
80I91.6Very high88Confident105 Ų10574.2 Ų74.254%0.53840%0.403SS..Hα-helixtrans-62-44177.7-62.9170000110.3P76 I77 V78 I83 L84P76-I80 PolarHBondContact O-N 2.86Å; I77-I80 PolarHBondContact O-N 3.38Å; V78-I80 VanDerWaalsContact C-N 3.32Å; V78-I80 PolarHBondContact O-N 3.18Å; I80-I83 PolarHBondContact O-N 3.23Å; I80-L84 HydrophobicContact CG2-CD1 4.01Å; I80-L84 HydrophobicContact CG2-CG 4.41Å; I80-L84 WeakPolarHBondContact O-CB 3.44Å; I80-L84 WeakPolarHBondContact O-CG 3.18Å; I80-L84 PolarHBondContact O-N 3.05Å
81V91.5Very high88.8Confident83 Ų8378.2 Ų78.250%0.50341%0.408SS..Hα-helixtrans-61.8-44.3178.31730000111.7I77 V78 Y79 L84 S85I77-V81 HydrophobicContact CG2-CG2 4.46Å; I77-V81 WeakPolarHBondContact O-CG2 3.39Å; I77-V81 PolarHBondContact O-N 3.28Å; V78-V81 PolarHBondContact O-N 2.81Å; V78-V81 VanDerWaalsContact O-N 3.15Å; Y79-V81 VanDerWaalsContact C-N 3.34Å; Y79-V81 PolarHBondContact O-N 3.35Å; V81-L84 PolarHBondContact O-N 2.86Å; V81-S85 WeakPolarHBondContact O-CB 3.14Å; V81-S85 PolarHBondContact O-N 2.86Å
82L91.1Very high89.6Confident27 Ų2776.7 Ų76.714%0.14140%0.398CS..Hα-helixtrans-65.3-41.2178.3-63.9-174.7000111.8L74 V78 Y79 S85 I86 T122 V125L74-L82 HydrophobicContact CD1-CD1 3.79Å; V78-L82 HydrophobicContact CG1-CD1 4.34Å; V78-L82 HydrophobicContact CG1-CG 4.18Å; V78-L82 WeakPolarHBondContact O-CG 3.27Å; V78-L82 PolarHBondContact O-N 3.22Å; Y79-L82 PolarHBondContact O-N 3.13Å; L82-S85 WeakPolarHBondContact O-CB 3.5Å; L82-S85 PolarHBondContact O-N 3.09Å; L82-I86 WeakPolarHBondContact O-CG1 3.3Å; L82-I86 PolarHBondContact O-N 3.37Å; L82-T122 HydrophobicContact CB-CG2 3.93Å; L82-T122 HydrophobicContact CD2-CG2 3.97Å; L82-T122 HydrophobicContact CG-CG2 4.38Å; L82-V125 HydrophobicContact CD1-CG1 4.13Å
83I92.8Very high90.6Very high81 Ų8175.9 Ų75.942%0.41539%0.393SS..Hα-helixtrans-62.3-46.8176.2-68.7166.5000110.5Y79 I80 S85 I86 L87 L126Y79-I83 VanDerWaalsContact O-CG1 3.29Å; Y79-I83 WeakPolarHBondContact O-CG1 3.32Å; Y79-I83 PolarHBondContact O-N 3.43Å; I80-I83 PolarHBondContact O-N 3.23Å; I83-S85 VanDerWaalsContact C-N 3.32Å; I83-S85 PolarHBondContact O-N 3.33Å; I83-I86 PolarHBondContact O-N 3.22Å; I83-L87 HydrophobicContact CG2-CD1 4.37Å; I83-L87 WeakPolarHBondContact O-CG 3.24Å; I83-L87 PolarHBondContact O-N 3.48Å; I83-L126 HydrophobicContact CG1-CD2 4.2Å
84L94.2Very high91.7Very high100 Ų10075.2 Ų75.252%0.52438%0.384SS..Hα-helixtrans-62-39.8176.2-70.5175000111.9I80 V81 L87 M88I80-L84 HydrophobicContact CG2-CD1 4.01Å; I80-L84 HydrophobicContact CG2-CG 4.41Å; I80-L84 WeakPolarHBondContact O-CB 3.44Å; I80-L84 WeakPolarHBondContact O-CG 3.18Å; I80-L84 PolarHBondContact O-N 3.05Å; V81-L84 PolarHBondContact O-N 2.86Å; L84-L87 PolarHBondContact O-N 3.27Å; L84-M88 WeakPolarHBondContact O-CB 3.27Å; L84-M88 WeakPolarHBondContact O-CG 3.08Å; L84-M88 PolarHBondContact O-N 2.75Å
85S91.7Very high92.5Very high44 Ų4476.1 Ų76.131%0.30839%0.389SS..Hα-helixtrans-61.1-46.3175.9-178.40000111.8V81 L82 I83 L87 M88 K89V81-S85 WeakPolarHBondContact O-CB 3.14Å; V81-S85 PolarHBondContact O-N 2.86Å; L82-S85 WeakPolarHBondContact O-CB 3.5Å; L82-S85 PolarHBondContact O-N 3.09Å; I83-S85 VanDerWaalsContact C-N 3.32Å; I83-S85 PolarHBondContact O-N 3.33Å; S85-L87 PolarHBondContact O-N 3.38Å; S85-M88 PolarHBondContact O-N 3.19Å; S85-K89 WeakPolarHBondContact O-CB 3.23Å; S85-K89 PolarHBondContact O-N 2.83Å
86I93.7Very high92.9Very high25 Ų2575.5 Ų75.513%0.12838%0.377CS..Hα-helixtrans-57.2-48.8175-72.1162.4000110.7L82 I83 M88 K89 F90 V119 T122 I123 L126L82-I86 WeakPolarHBondContact O-CG1 3.3Å; L82-I86 PolarHBondContact O-N 3.37Å; I83-I86 PolarHBondContact O-N 3.22Å; I86-M88 VanDerWaalsContact C-N 3.33Å; I86-M88 PolarHBondContact O-N 3.05Å; I86-K89 PolarHBondContact O-N 3.22Å; I86-F90 WeakPolarHBondContact O-CB 3.37Å; I86-F90 PolarHBondContact O-N 3.44Å; I86-V119 HydrophobicContact CG2-CG1 4.11Å; I86-T122 HydrophobicContact CD1-CG2 3.8Å; I86-T122 HydrophobicContact CG1-CG2 3.56Å; I86-I123 HydrophobicContact CD1-CG1 3.69Å; I86-I123 HydrophobicContact CG1-CG1 4.23Å; I86-L126 HydrophobicContact CD1-CD2 3.99Å
87L95.9Very high93.3Very high108 Ų10875.2 Ų75.257%0.56536%0.364SS*.Hα-helixtrans-61-42.6-179.7-67.9176.5000111.7I83 L84 S85 W91I83-L87 HydrophobicContact CG2-CD1 4.37Å; I83-L87 WeakPolarHBondContact O-CG 3.24Å; I83-L87 PolarHBondContact O-N 3.48Å; L84-L87 PolarHBondContact O-N 3.27Å; S85-L87 PolarHBondContact O-N 3.38Å; L87-W91 WeakPolarHBondContact O-CB 3.39Å; L87-W91 PolarHBondContact O-N 2.82Å
88M94.3Very high93.5Very high100 Ų10076.6 Ų76.649%0.49336%0.361SS..Hα-helixtrans-65.1-49177.8-74.8-62-61.900112.4L84 S85 I86 F90 W91 Q92L84-M88 WeakPolarHBondContact O-CB 3.27Å; L84-M88 WeakPolarHBondContact O-CG 3.08Å; L84-M88 PolarHBondContact O-N 2.75Å; S85-M88 PolarHBondContact O-N 3.19Å; I86-M88 VanDerWaalsContact C-N 3.33Å; I86-M88 PolarHBondContact O-N 3.05Å; M88-F90 VanDerWaalsContact C-N 3.34Å; M88-F90 PolarHBondContact O-N 3.19Å; M88-W91 HydrophobicContact CE-CE3 4Å; M88-W91 HydrophobicContact CE-CZ3 3.97Å; M88-W91 PolarHBondContact O-N 2.9Å; M88-W91 HydrophobicContact SD-CE3 4.4Å; M88-Q92 WeakPolarHBondContact O-CG 3.23Å; M88-Q92 PolarHBondContact O-N 2.84Å
89K93.3Very high93.8Very high24 Ų2477.4 Ų77.410%0.10436%0.363CS..Hα-helixtrans-65.8-37.1179.5-76.7-77.2-176.6165.90112.3D10 S85 I86 Q92 S93 D118 V119D10-K89 IonicContact OD1-NZ 3.68Å; D10-K89 PolarHBondContact OD1-NZ 3.29Å; D10-K89 VanDerWaalsContact OD1-NZ 3.1Å; D10-K89 IonicContact OD2-NZ 2.6Å; D10-K89 PolarHBondContact OD2-NZ 2.7Å; S85-K89 WeakPolarHBondContact O-CB 3.23Å; S85-K89 PolarHBondContact O-N 2.83Å; I86-K89 PolarHBondContact O-N 3.22Å; K89-Q92 PolarHBondContact O-N 3.08Å; K89-S93 PolarHBondContact O-N 3.07Å; K89-D118 HydrophobicContact CD-CB 3.97Å; K89-D118 VanDerWaalsContact CE-OD2 3.27Å; K89-D118 WeakPolarHBondContact CE-OD2 3.1Å; K89-D118 HydrophobicContact CG-CB 4.22Å; K89-D118 IonicContact NZ-OD2 3.1Å; K89-D118 PolarHBondContact NZ-OD2 2.84Å; K89-V119 HydrophobicContact CB-CG2 3.62Å
90F95.3Very high94Very high122 Ų12275 Ų7554%0.53535%0.354SS..Hα-helixtrans-64.6-43.4174.2-168.9-97.9000111.7I86 M88 S93 F94 I116 V119I86-F90 WeakPolarHBondContact O-CB 3.37Å; I86-F90 PolarHBondContact O-N 3.44Å; M88-F90 VanDerWaalsContact C-N 3.34Å; M88-F90 PolarHBondContact O-N 3.19Å; F90-S93 PolarHBondContact O-N 3.31Å; F90-F94 PolarHBondContact O-N 3.23Å; F90-I116 HydrophobicContact CD2-CD1 4.06Å; F90-I116 HydrophobicContact CE2-CD1 4.36Å; F90-V119 HydrophobicContact CB-CG2 4.2Å
91W96.4Very high94Very high148 Ų14878.8 Ų78.856%0.56136%0.361SS*.Hα-helixtrans-61.9-45.6173.6172.962.7000112.3L87 M88 S93 F94 M95L87-W91 WeakPolarHBondContact O-CB 3.39Å; L87-W91 PolarHBondContact O-N 2.82Å; M88-W91 HydrophobicContact CE-CE3 4Å; M88-W91 HydrophobicContact CE-CZ3 3.97Å; M88-W91 PolarHBondContact O-N 2.9Å; M88-W91 HydrophobicContact SD-CE3 4.4Å; W91-S93 PolarHBondContact O-N 2.89Å; W91-F94 PolarHBondContact O-N 3.18Å; W91-M95 PolarHBondContact O-N 2.84Å
92Q93.8Very high94Very high54 Ų5480.1 Ų80.125%0.25236%0.362SS..Hα-helixtrans-57.9-47.9175-77.4178.8-29.700111.8M88 K89 F94 M95 Y96M88-Q92 WeakPolarHBondContact O-CG 3.23Å; M88-Q92 PolarHBondContact O-N 2.84Å; K89-Q92 PolarHBondContact O-N 3.08Å; Q92-F94 VanDerWaalsContact C-N 3.34Å; Q92-F94 PolarHBondContact O-N 3.2Å; Q92-M95 WeakPolarHBondContact O-CB 3.42Å; Q92-M95 PolarHBondContact O-N 3.18Å; Q92-Y96 HydrophobicContact CB-CD2 4.38Å; Q92-Y96 HydrophobicContact CB-CE2 4.03Å; Q92-Y96 VanDerWaalsContact O-CD2 3.22Å; Q92-Y96 WeakPolarHBondContact O-CD2 3.24Å; Q92-Y96 VanDerWaalsContact O-CG 3.32Å; Q92-Y96 PolarHBondContact O-N 3.28Å
93S94.4Very high93.9Very high2 Ų282.7 Ų82.71%0.01438%0.375CS..Hα-helixtrans-59.3-44.5176.7179.60000112.3K89 F90 W91 M95 Y96 R97 A112 I116K89-S93 PolarHBondContact O-N 3.07Å; F90-S93 PolarHBondContact O-N 3.31Å; W91-S93 PolarHBondContact O-N 2.89Å; S93-M95 VanDerWaalsContact C-N 3.33Å; S93-M95 PolarHBondContact O-N 2.94Å; S93-Y96 PolarHBondContact O-N 3.01Å; S93-R97 VanDerWaalsContact O-CB 3.32Å; S93-R97 WeakPolarHBondContact O-CB 3.49Å; S93-R97 WeakPolarHBondContact O-CG 3.3Å; S93-R97 PolarHBondContact O-N 3.25Å; S93-A112 WeakPolarHBondContact CB-O 3.33Å; S93-A112 PolarHBondContact OG-O 3.19Å; S93-I116 WeakPolarHBondContact OG-CG1 3.38Å
94F96Very high93.6Very high130 Ų13083.9 Ų83.957%0.5738%0.382SS*.Hα-helixtrans-60-45.1177.5-179-97.4000111.6F90 W91 Q92 R98F90-F94 PolarHBondContact O-N 3.23Å; W91-F94 PolarHBondContact O-N 3.18Å; Q92-F94 VanDerWaalsContact C-N 3.34Å; Q92-F94 PolarHBondContact O-N 3.2Å; F94-R98 WeakPolarHBondContact O-CB 3.1Å; F94-R98 PolarHBondContact O-N 2.59Å
95M95.6Very high93.5Very high63 Ų6379.1 Ų79.131%0.3136%0.357SS..Hα-helixtrans-60.9-50.1176.3-175.2-167.473.300111.6W91 Q92 S93 R98 L99W91-M95 PolarHBondContact O-N 2.84Å; Q92-M95 WeakPolarHBondContact O-CB 3.42Å; Q92-M95 PolarHBondContact O-N 3.18Å; S93-M95 VanDerWaalsContact C-N 3.33Å; S93-M95 PolarHBondContact O-N 2.94Å; M95-R98 PolarHBondContact O-N 2.87Å; M95-L99 HydrophobicContact CG-CD1 4.04Å; M95-L99 WeakPolarHBondContact O-CG 3.49Å; M95-L99 PolarHBondContact O-N 3.13Å
96Y94.2Very high93.4Very high44 Ų4479.2 Ų79.217%0.17335%0.354CS..Hα-helixtrans-64.4-40.4179.6-66-38.3000112.6Q92 S93 R98 G100 L108 T111 A112Q92-Y96 HydrophobicContact CB-CD2 4.38Å; Q92-Y96 HydrophobicContact CB-CE2 4.03Å; Q92-Y96 VanDerWaalsContact O-CD2 3.22Å; Q92-Y96 WeakPolarHBondContact O-CD2 3.24Å; Q92-Y96 VanDerWaalsContact O-CG 3.32Å; Q92-Y96 PolarHBondContact O-N 3.28Å; S93-Y96 PolarHBondContact O-N 3.01Å; Y96-R98 VanDerWaalsContact C-N 3.33Å; Y96-R98 PolarHBondContact O-N 3Å; Y96-G100 PolarHBondContact O-N 3.19Å; Y96-L108 HydrophobicContact CD1-CD2 4.19Å; Y96-T111 HydrophobicContact CD2-CG2 3.92Å; Y96-T111 HydrophobicContact CE2-CG2 3.85Å; Y96-T111 HydrophobicContact CG-CG2 4.44Å; Y96-A112 VanDerWaalsContact CB-CB 3.47Å
97R94.4Very high93.3Very high92 Ų9278 Ų7835%0.34735%0.349SS..Hα-helixtrans-62.6-41174.8-83171.4-179.8-176.4-2.7111.9S93 R101 A112S93-R97 VanDerWaalsContact O-CB 3.32Å; S93-R97 WeakPolarHBondContact O-CB 3.49Å; S93-R97 WeakPolarHBondContact O-CG 3.3Å; S93-R97 PolarHBondContact O-N 3.25Å; R97-R101 VanDerWaalsContact O-CG 3.3Å; R97-R101 WeakPolarHBondContact O-CG 3.38Å; R97-R101 PolarHBondContact O-N 3.07Å; R97-R101 VanDerWaalsContact O-N 3.15Å; R97-A112 HydrophobicContact CB-CB 4.38Å; R97-A112 HydrophobicContact CG-CB 3.53Å
98R96.3Very high93.1Very high150 Ų15073.8 Ų73.857%0.56633%0.326SS*.Hα-helixtrans-64.5-54.6178.5-179.8177.8174.3177.70.3110.4F94 M95 Y96 G100 R101 E102F94-R98 WeakPolarHBondContact O-CB 3.1Å; F94-R98 PolarHBondContact O-N 2.59Å; M95-R98 PolarHBondContact O-N 2.87Å; Y96-R98 VanDerWaalsContact C-N 3.33Å; Y96-R98 PolarHBondContact O-N 3Å; R98-G100 PolarHBondContact O-N 2.76Å; R98-R101 PolarHBondContact O-N 2.66Å; R98-R101 VanDerWaalsContact O-N 3.16Å; R98-E102 WeakPolarHBondContact CG-OE1 3.34Å; R98-E102 IonicContact CZ-OE1 3.13Å; R98-E102 IonicContact NE-OE1 3.43Å; R98-E102 PolarHBondContact NE-OE1 3.06Å; R98-E102 IonicContact NH2-OE1 3.59Å; R98-E102 WeakPolarHBondContact O-CG 3.22Å; R98-E102 PolarHBondContact O-N 3.42Å
99L94Very high93Very high73 Ų7372.7 Ų72.738%0.38232%0.319SS..Hα-helixtrans-60.1-46.3178.8-69.2171000111.5M95 R101 E102 I103 L108M95-L99 HydrophobicContact CG-CD1 4.04Å; M95-L99 WeakPolarHBondContact O-CG 3.49Å; M95-L99 PolarHBondContact O-N 3.13Å; L99-R101 PolarHBondContact O-N 3.2Å; L99-R101 VanDerWaalsContact O-N 3.17Å; L99-E102 PolarHBondContact O-N 3.32Å; L99-I103 VanDerWaalsContact O-CG1 3.3Å; L99-I103 WeakPolarHBondContact O-CG1 3.46Å; L99-I103 PolarHBondContact O-N 2.92Å; L99-L108 HydrophobicContact CB-CD1 4.01Å
100G92.7Very high92.9Very high0 Ų071.8 Ų71.80%032%0.315CS..Hα-helixtrans-61.8-23.8178.400000114.4Y96 R98 N104 S105 K109Y96-G100 PolarHBondContact O-N 3.19Å; R98-G100 PolarHBondContact O-N 2.76Å; G100-N104 CarbonylContact O-C 3.51Å; G100-N104 WeakPolarHBondContact O-CA 3.38Å; G100-N104 PolarHBondContact O-N 3.08Å; G100-S105 PolarHBondContact O-N 2.87Å; G100-K109 WeakPolarHBondContact O-CE 3.4Å
101R92.2Very high92.7Very high184 Ų18466.1 Ų66.169%0.69429%0.291SS*.Hα-helixtrans-81.8-40.9169.7-73.7175.6-177.4-173.70.1112.3R97 R98 L99 I103 N104R97-R101 VanDerWaalsContact O-CG 3.3Å; R97-R101 WeakPolarHBondContact O-CG 3.38Å; R97-R101 PolarHBondContact O-N 3.07Å; R97-R101 VanDerWaalsContact O-N 3.15Å; R98-R101 PolarHBondContact O-N 2.66Å; R98-R101 VanDerWaalsContact O-N 3.16Å; L99-R101 PolarHBondContact O-N 3.2Å; L99-R101 VanDerWaalsContact O-N 3.17Å; R101-I103 VanDerWaalsContact C-N 3.3Å; R101-I103 PolarHBondContact O-N 2.92Å; R101-N104 PolarHBondContact O-N 3.39Å
102E91.9Very high92.6Very high111 Ų11159.1 Ų59.152%0.51926%0.264SS..Hα-helixtrans-63.6-35.7179.8-72.5173.1-173.700112R98 L99R98-E102 WeakPolarHBondContact CG-OE1 3.34Å; R98-E102 IonicContact CZ-OE1 3.13Å; R98-E102 IonicContact NE-OE1 3.43Å; R98-E102 PolarHBondContact NE-OE1 3.06Å; R98-E102 IonicContact NH2-OE1 3.59Å; R98-E102 WeakPolarHBondContact O-CG 3.22Å; R98-E102 PolarHBondContact O-N 3.42Å; L99-E102 PolarHBondContact O-N 3.32Å
103I88.9Confident92.5Very high81 Ų8158 Ų5842%0.41526%0.259SS..THydrogen-bonded Turntrans-106.611.8179.769.5155.7000114.4F21 L99 R101 S105 L108F21-I103 HydrophobicContact CE1-CD1 4.04Å; F21-I103 HydrophobicContact CZ-CD1 4.25Å; L99-I103 VanDerWaalsContact O-CG1 3.3Å; L99-I103 WeakPolarHBondContact O-CG1 3.46Å; L99-I103 PolarHBondContact O-N 2.92Å; R101-I103 VanDerWaalsContact C-N 3.3Å; R101-I103 PolarHBondContact O-N 2.92Å; I103-S105 PolarHBondContact O-N 3.22Å; I103-S105 VanDerWaalsContact O-N 3.16Å; I103-L108 HydrophobicContact CD1-CD1 3.76Å; I103-L108 HydrophobicContact CG1-CD1 4.13Å
104N86.4Confident92.3Very high106 Ų10658.3 Ų58.357%0.56726%0.261SS*.THydrogen-bonded Turntrans51.535.3-177.1-63.1-48.2000115.1G100 R101G100-N104 CarbonylContact O-C 3.51Å; G100-N104 WeakPolarHBondContact O-CA 3.38Å; G100-N104 PolarHBondContact O-N 3.08Å; R101-N104 PolarHBondContact O-N 3.39Å
105S91.4Very high92.2Very high0 Ų052.3 Ų52.30%024%0.235CC..  trans-93.6112.7-178.4172.20000112.2F21 E40 G100 I103 T107 L108 K109F21-S105 WeakPolarHBondContact CZ-OG 3.43Å; E40-S105 VanDerWaalsContact OE1-CA 3.25Å; E40-S105 WeakPolarHBondContact OE1-CA 3.49Å; E40-S105 WeakPolarHBondContact OE1-CB 3.49Å; E40-S105 PolarHBondContact OE1-OG 3.02Å; G100-S105 PolarHBondContact O-N 2.87Å; I103-S105 PolarHBondContact O-N 3.22Å; I103-S105 VanDerWaalsContact O-N 3.16Å; S105-T107 VanDerWaalsContact C-N 3.3Å; S105-T107 PolarHBondContact OG-N 3.27Å; S105-L108 PolarHBondContact OG-N 3.41Å; S105-K109 WeakPolarHBondContact O-CG 3.5Å; S105-K109 PolarHBondContact O-N 2.77Å
106D89.5Confident92.1Very high46 Ų4649.7 Ų49.725%0.24622%0.222CC..Hα-helixtrans-71.8-27.2172.7-69.8-34.3000112.2K109 A110 F162D106-K109 WeakPolarHBondContact O-CB 3.46Å; D106-K109 PolarHBondContact O-N 3.35Å; D106-K109 WeakPolarHBondContact OD1-CD 3.45Å; D106-K109 WeakPolarHBondContact OD1-CE 3.45Å; D106-K109 IonicContact OD1-NZ 2.71Å; D106-K109 PolarHBondContact OD1-NZ 2.98Å; D106-A110 WeakPolarHBondContact O-CB 3.2Å; D106-A110 PolarHBondContact O-N 2.85Å; D106-F162 HydrophobicContact CB-CE1 3.91Å; D106-F162 HydrophobicContact CB-CZ 4.14Å
107T92Very high91.9Very high1 Ų147.7 Ų47.71%0.00622%0.215CC..Hα-helixtrans-67.5-37.5174.9-63.90000112.5E40 G44 I47 S105 A110 T111E40-T107 HydrophobicContact CG-CG2 4.47Å; E40-T107 WeakPolarHBondContact CG-OG1 3.29Å; E40-T107 PolarHBondContact O-OG1 3.08Å; G44-T107 WeakPolarHBondContact CA-OG1 3.36Å; G44-T107 PolarHBondContact N-OG1 3.36Å; I47-T107 HydrophobicContact CD1-CG2 4.04Å; S105-T107 VanDerWaalsContact C-N 3.3Å; S105-T107 PolarHBondContact OG-N 3.27Å; T107-A110 WeakPolarHBondContact O-CB 3.47Å; T107-A110 PolarHBondContact O-N 2.98Å; T107-T111 PolarHBondContact O-N 3.03Å; T107-T111 PolarHBondContact O-OG1 3.11Å
108L92.5Very high91.8Very high18 Ų1843.6 Ų43.69%0.09420%0.199CC..Hα-helixtrans-69.7-37.2170-78.5177.9000112.4T17 F21 Y96 L99 I103 S105 A110 T111 A112T17-L108 HydrophobicContact CG2-CD2 4.29Å; F21-L108 HydrophobicContact CE2-CD1 4.4Å; F21-L108 HydrophobicContact CE2-CD2 3.95Å; F21-L108 HydrophobicContact CE2-CG 3.81Å; F21-L108 HydrophobicContact CZ-CD1 4.06Å; F21-L108 HydrophobicContact CZ-CD2 4.37Å; F21-L108 HydrophobicContact CZ-CG 3.72Å; Y96-L108 HydrophobicContact CD1-CD2 4.19Å; L99-L108 HydrophobicContact CB-CD1 4.01Å; I103-L108 HydrophobicContact CD1-CD1 3.76Å; I103-L108 HydrophobicContact CG1-CD1 4.13Å; S105-L108 PolarHBondContact OG-N 3.41Å; L108-A110 VanDerWaalsContact C-N 3.3Å; L108-A110 PolarHBondContact O-N 2.97Å; L108-T111 PolarHBondContact O-N 3.05Å; L108-A112 WeakPolarHBondContact O-CB 3.29Å; L108-A112 PolarHBondContact O-N 3.08Å
109K91.8Very high91.6Very high78 Ų7836.7 Ų36.734%0.33917%0.174SC..Hα-helixtrans-62.6-40.2174.3-66.8172.4-154.9157.60111.1G100 S105 D106 A112 Q113G100-K109 WeakPolarHBondContact O-CE 3.4Å; S105-K109 WeakPolarHBondContact O-CG 3.5Å; S105-K109 PolarHBondContact O-N 2.77Å; D106-K109 WeakPolarHBondContact O-CB 3.46Å; D106-K109 PolarHBondContact O-N 3.35Å; D106-K109 WeakPolarHBondContact OD1-CD 3.45Å; D106-K109 WeakPolarHBondContact OD1-CE 3.45Å; D106-K109 IonicContact OD1-NZ 2.71Å; D106-K109 PolarHBondContact OD1-NZ 2.98Å; K109-A112 WeakPolarHBondContact O-CB 3.32Å; K109-A112 PolarHBondContact O-N 3.31Å; K109-Q113 PolarHBondContact O-N 2.88Å
110A91.7Very high91.5Very high4 Ų437.6 Ų37.63%0.03317%0.173CC..Hα-helixtrans-60-49.6173.200000112D106 T107 L108 A112 Q113 D114 M158 F162D106-A110 WeakPolarHBondContact O-CB 3.2Å; D106-A110 PolarHBondContact O-N 2.85Å; T107-A110 WeakPolarHBondContact O-CB 3.47Å; T107-A110 PolarHBondContact O-N 2.98Å; L108-A110 VanDerWaalsContact C-N 3.3Å; L108-A110 PolarHBondContact O-N 2.97Å; A110-A112 VanDerWaalsContact C-N 3.25Å; A110-A112 PolarHBondContact O-N 3.3Å; A110-Q113 WeakPolarHBondContact O-CB 3.37Å; A110-Q113 PolarHBondContact O-N 3.43Å; A110-D114 PolarHBondContact O-N 3.31Å; A110-M158 VanDerWaalsContact CA-CE 3.47Å; A110-M158 HydrophobicContact CB-CE 3.3Å; A110-F162 HydrophobicContact CB-CE2 3.82Å; A110-F162 HydrophobicContact CB-CZ 3.88Å
111T91.5Very high91.4Very high4 Ų438.4 Ų38.43%0.02518%0.178CC..Hα-helixtrans-60.3-36.7175.9-53.70000111.9T17 Y96 T107 L108 Q113 D114 S115T17-T111 PolarHBondContact OG1-OG1 2.87Å; Y96-T111 HydrophobicContact CD2-CG2 3.92Å; Y96-T111 HydrophobicContact CE2-CG2 3.85Å; Y96-T111 HydrophobicContact CG-CG2 4.44Å; T107-T111 PolarHBondContact O-N 3.03Å; T107-T111 PolarHBondContact O-OG1 3.11Å; L108-T111 PolarHBondContact O-N 3.05Å; T111-Q113 VanDerWaalsContact C-N 3.33Å; T111-D114 WeakPolarHBondContact O-CB 3.45Å; T111-D114 PolarHBondContact O-N 3.09Å; T111-S115 PolarHBondContact O-N 2.71Å; T111-S115 VanDerWaalsContact O-N 3.1Å; T111-S115 PolarHBondContact O-OG 2.8Å
112A93.1Very high91.3Very high0 Ų030.5 Ų30.50%015%0.15CC..Hα-helixtrans-71.2-29.3175.800000113.7S93 Y96 R97 L108 K109 A110 I116S93-A112 WeakPolarHBondContact CB-O 3.33Å; S93-A112 PolarHBondContact OG-O 3.19Å; Y96-A112 VanDerWaalsContact CB-CB 3.47Å; R97-A112 HydrophobicContact CB-CB 4.38Å; R97-A112 HydrophobicContact CG-CB 3.53Å; L108-A112 WeakPolarHBondContact O-CB 3.29Å; L108-A112 PolarHBondContact O-N 3.08Å; K109-A112 WeakPolarHBondContact O-CB 3.32Å; K109-A112 PolarHBondContact O-N 3.31Å; A110-A112 VanDerWaalsContact C-N 3.25Å; A110-A112 PolarHBondContact O-N 3.3Å; A112-I116 WeakPolarHBondContact O-CG1 3.23Å; A112-I116 PolarHBondContact O-N 3.27Å
113Q91.8Very high91.3Very high30 Ų3028 Ų2814%0.1414%0.14CC..Hα-helixtrans-72.8-39.2174.1-17354.243.700110.9K109 A110 T111 I116 N117 S154 M158K109-Q113 PolarHBondContact O-N 2.88Å; A110-Q113 WeakPolarHBondContact O-CB 3.37Å; A110-Q113 PolarHBondContact O-N 3.43Å; T111-Q113 VanDerWaalsContact C-N 3.33Å; Q113-I116 PolarHBondContact O-N 2.91Å; Q113-I116 VanDerWaalsContact O-N 3.13Å; Q113-N117 PolarHBondContact NE2-OD1 3.08Å; Q113-N117 PolarHBondContact O-N 2.94Å; Q113-N117 PolarHBondContact O-ND2 3.12Å; Q113-N117 PolarHBondContact O-OD1 3.38Å; Q113-S154 VanDerWaalsContact CG-OG 3.28Å; Q113-S154 WeakPolarHBondContact CG-OG 3.29Å; Q113-M158 HydrophobicContact CB-SD 3.93Å; Q113-M158 HydrophobicContact CG-SD 3.8Å
114D91.1Very high91.4Very high9 Ų924.1 Ų24.15%0.04812%0.12CC..Hα-helixtrans-53.9-52.5169.6-169.832.2000111S13 V51 A110 T111 I116 N117 D118S13-D114 PolarHBondContact OG-OD2 2.65Å; V51-D114 HydrophobicContact CG2-CB 3.85Å; V51-D114 WeakPolarHBondContact CG2-OD1 3.48Å; A110-D114 PolarHBondContact O-N 3.31Å; T111-D114 WeakPolarHBondContact O-CB 3.45Å; T111-D114 PolarHBondContact O-N 3.09Å; D114-I116 PolarHBondContact O-N 3.49Å; D114-I116 VanDerWaalsContact O-N 3.11Å; D114-N117 WeakPolarHBondContact O-CA 3.19Å; D114-N117 WeakPolarHBondContact O-CB 3.16Å; D114-N117 PolarHBondContact O-N 3.04Å; D114-D118 PolarHBondContact O-N 3.46Å; D114-D118 VanDerWaalsContact O-N 3.07Å
115S92.5Very high91.5Very high5 Ų520.6 Ų20.64%0.03510%0.102CC..Hα-helixtrans-58.4-31.4176.7-59.30000113.7T111 V119T111-S115 PolarHBondContact O-N 2.71Å; T111-S115 VanDerWaalsContact O-N 3.1Å; T111-S115 PolarHBondContact O-OG 2.8Å; S115-V119 WeakPolarHBondContact O-CG2 3.39Å; S115-V119 PolarHBondContact O-N 3.09Å
116I93.7Very high91.5Very high7 Ų721.8 Ų21.84%0.03611%0.108CC..Hα-helixtrans-76.3-36.1175-77.2-64.4000112.2F90 S93 A112 Q113 D114 D118 V119 Y120F90-I116 HydrophobicContact CD2-CD1 4.06Å; F90-I116 HydrophobicContact CE2-CD1 4.36Å; S93-I116 WeakPolarHBondContact OG-CG1 3.38Å; A112-I116 WeakPolarHBondContact O-CG1 3.23Å; A112-I116 PolarHBondContact O-N 3.27Å; Q113-I116 PolarHBondContact O-N 2.91Å; Q113-I116 VanDerWaalsContact O-N 3.13Å; D114-I116 PolarHBondContact O-N 3.49Å; D114-I116 VanDerWaalsContact O-N 3.11Å; I116-D118 PolarHBondContact O-N 3.39Å; I116-V119 WeakPolarHBondContact O-CB 3.27Å; I116-V119 PolarHBondContact O-N 3.28Å; I116-V119 VanDerWaalsContact O-N 3.12Å; I116-Y120 HydrophobicContact CG2-CD2 3.85Å; I116-Y120 HydrophobicContact CG2-CE1 4.41Å; I116-Y120 HydrophobicContact CG2-CE2 3.25Å; I116-Y120 WeakPolarHBondContact O-CD2 3.43Å; I116-Y120 PolarHBondContact O-N 3.19Å
117N91.5Very high91.5Very high3 Ų323.1 Ų23.12%0.01612%0.115CC..Hα-helixtrans-59.9-39.8174.8-67.1-17.1000109.9V51 Q113 D114 V119 Y120 T121 I151V51-N117 WeakPolarHBondContact CG1-ND2 3.43Å; Q113-N117 PolarHBondContact NE2-OD1 3.08Å; Q113-N117 PolarHBondContact O-N 2.94Å; Q113-N117 PolarHBondContact O-ND2 3.12Å; Q113-N117 PolarHBondContact O-OD1 3.38Å; D114-N117 WeakPolarHBondContact O-CA 3.19Å; D114-N117 WeakPolarHBondContact O-CB 3.16Å; D114-N117 PolarHBondContact O-N 3.04Å; N117-V119 PolarHBondContact O-N 2.91Å; N117-Y120 WeakPolarHBondContact O-CB 3.38Å; N117-Y120 PolarHBondContact O-N 3.28Å; N117-Y120 VanDerWaalsContact O-N 3.13Å; N117-T121 WeakPolarHBondContact O-CG2 3.34Å; N117-T121 PolarHBondContact O-N 3.08Å; N117-I151 HydrophobicContact CB-CD1 4.09Å; N117-I151 HydrophobicContact CB-CG1 3.86Å; N117-I151 HydrophobicContact CB-CG2 4.24Å
118D90.5Very high91.4Very high5 Ų523 Ų233%0.02711%0.114CC..Hα-helixtrans-63.5-37.4173.2-62.6-36.8000113.9N6 D10 K89 D114 I116 Y120 T121 T122N6-D118 PolarHBondContact ND2-OD1 3.01Å; N6-D118 PolarHBondContact OD1-OD1 2.85Å; D10-D118 VanDerWaalsContact OD1-OD2 3.12Å; K89-D118 HydrophobicContact CD-CB 3.97Å; K89-D118 VanDerWaalsContact CE-OD2 3.27Å; K89-D118 WeakPolarHBondContact CE-OD2 3.1Å; K89-D118 HydrophobicContact CG-CB 4.22Å; K89-D118 IonicContact NZ-OD2 3.1Å; K89-D118 PolarHBondContact NZ-OD2 2.84Å; D114-D118 PolarHBondContact O-N 3.46Å; D114-D118 VanDerWaalsContact O-N 3.07Å; I116-D118 PolarHBondContact O-N 3.39Å; D118-Y120 VanDerWaalsContact C-N 3.29Å; D118-T121 WeakPolarHBondContact CA-OG1 3.31Å; D118-T121 PolarHBondContact O-N 3.36Å; D118-T121 PolarHBondContact O-OG1 3.5Å; D118-T122 VanDerWaalsContact O-CB 3.29Å; D118-T122 WeakPolarHBondContact O-CB 3.46Å; D118-T122 PolarHBondContact O-N 2.95Å; D118-T122 PolarHBondContact O-OG1 3.05Å
119V93.1Very high91.2Very high6 Ų622.2 Ų22.24%0.03611%0.11CC..Hα-helixtrans-61.1-44.7173.1169.30000109.4I86 K89 F90 S115 I116 N117 T122 I123I86-V119 HydrophobicContact CG2-CG1 4.11Å; K89-V119 HydrophobicContact CB-CG2 3.62Å; F90-V119 HydrophobicContact CB-CG2 4.2Å; S115-V119 WeakPolarHBondContact O-CG2 3.39Å; S115-V119 PolarHBondContact O-N 3.09Å; I116-V119 WeakPolarHBondContact O-CB 3.27Å; I116-V119 PolarHBondContact O-N 3.28Å; I116-V119 VanDerWaalsContact O-N 3.12Å; N117-V119 PolarHBondContact O-N 2.91Å; V119-T122 PolarHBondContact O-N 2.93Å; V119-I123 HydrophobicContact CG1-CD1 3.53Å; V119-I123 HydrophobicContact CG1-CG1 4.26Å; V119-I123 VanDerWaalsContact O-CB 3.3Å; V119-I123 WeakPolarHBondContact O-CB 3.37Å; V119-I123 WeakPolarHBondContact O-CG1 3.15Å; V119-I123 PolarHBondContact O-N 2.93Å
120Y92Very high91.1Very high92 Ų9221.8 Ų21.836%0.36111%0.111SC..Hα-helixtrans-65.1-44.8178-63.5-38.1000112.7I116 N117 D118 T122 I123 A124 Y150I116-Y120 HydrophobicContact CG2-CD2 3.85Å; I116-Y120 HydrophobicContact CG2-CE1 4.41Å; I116-Y120 HydrophobicContact CG2-CE2 3.25Å; I116-Y120 WeakPolarHBondContact O-CD2 3.43Å; I116-Y120 PolarHBondContact O-N 3.19Å; N117-Y120 WeakPolarHBondContact O-CB 3.38Å; N117-Y120 PolarHBondContact O-N 3.28Å; N117-Y120 VanDerWaalsContact O-N 3.13Å; D118-Y120 VanDerWaalsContact C-N 3.29Å; Y120-T122 VanDerWaalsContact C-N 3.32Å; Y120-T122 PolarHBondContact O-N 3.36Å; Y120-I123 PolarHBondContact O-N 2.9Å; Y120-A124 WeakPolarHBondContact O-CB 3.27Å; Y120-A124 PolarHBondContact O-N 3.26Å; Y120-Y150 HydrophobicContact CD2-CD1 4.16Å; Y120-Y150 AromaticContact CD2-CE1 3.83Å; Y120-Y150 HydrophobicContact CD2-CE1 3.83Å; Y120-Y150 HydrophobicContact CE2-CD1 4.33Å; Y120-Y150 AromaticContact CE2-CE1 3.59Å; Y120-Y150 HydrophobicContact CE2-CE1 3.59Å
121T90.1Very high91Very high17 Ų1724.4 Ų24.410%0.10412%0.124CC..Hα-helixtrans-61.7-41.8176.458.90000111.4F58 N117 D118 A124 V125 I147 I151F58-T121 HydrophobicContact CD1-CG2 3.78Å; F58-T121 HydrophobicContact CE1-CG2 3.6Å; F58-T121 HydrophobicContact CG-CG2 4.42Å; F58-T121 HydrophobicContact CZ-CG2 4.08Å; N117-T121 WeakPolarHBondContact O-CG2 3.34Å; N117-T121 PolarHBondContact O-N 3.08Å; D118-T121 WeakPolarHBondContact CA-OG1 3.31Å; D118-T121 PolarHBondContact O-N 3.36Å; D118-T121 PolarHBondContact O-OG1 3.5Å; T121-A124 WeakPolarHBondContact O-CB 3.44Å; T121-A124 PolarHBondContact O-N 2.99Å; T121-V125 PolarHBondContact O-N 3.44Å; T121-I147 HydrophobicContact CG2-CG2 4.32Å; T121-I151 HydrophobicContact CG2-CD1 3.31Å
122T90.7Very high90.8Very high18 Ų1825.1 Ų25.111%0.1113%0.127CC..Hα-helixtrans-69-40.8179.7-52.60000111.9L82 I86 D118 V119 Y120 A124 V125 L126L82-T122 HydrophobicContact CB-CG2 3.93Å; L82-T122 HydrophobicContact CD2-CG2 3.97Å; L82-T122 HydrophobicContact CG-CG2 4.38Å; I86-T122 HydrophobicContact CD1-CG2 3.8Å; I86-T122 HydrophobicContact CG1-CG2 3.56Å; D118-T122 VanDerWaalsContact O-CB 3.29Å; D118-T122 WeakPolarHBondContact O-CB 3.46Å; D118-T122 PolarHBondContact O-N 2.95Å; D118-T122 PolarHBondContact O-OG1 3.05Å; V119-T122 PolarHBondContact O-N 2.93Å; Y120-T122 VanDerWaalsContact C-N 3.32Å; Y120-T122 PolarHBondContact O-N 3.36Å; T122-A124 VanDerWaalsContact C-N 3.29Å; T122-A124 PolarHBondContact O-N 3.31Å; T122-V125 PolarHBondContact O-N 3.39Å; T122-L126 WeakPolarHBondContact O-CB 3.33Å; T122-L126 PolarHBondContact O-N 2.71Å
123I92Very high90.5Very high57 Ų5734.2 Ų34.229%0.29216%0.161SC..Hα-helixtrans-62.2-38.6172.8-73.3172.2000110.6I86 V119 Y120 V125 L126 I127I86-I123 HydrophobicContact CD1-CG1 3.69Å; I86-I123 HydrophobicContact CG1-CG1 4.23Å; V119-I123 HydrophobicContact CG1-CD1 3.53Å; V119-I123 HydrophobicContact CG1-CG1 4.26Å; V119-I123 VanDerWaalsContact O-CB 3.3Å; V119-I123 WeakPolarHBondContact O-CB 3.37Å; V119-I123 WeakPolarHBondContact O-CG1 3.15Å; V119-I123 PolarHBondContact O-N 2.93Å; Y120-I123 PolarHBondContact O-N 2.9Å; I123-V125 VanDerWaalsContact C-N 3.35Å; I123-V125 PolarHBondContact O-N 2.98Å; I123-L126 PolarHBondContact O-N 3.12Å; I123-I127 HydrophobicContact CG2-CD1 3.45Å; I123-I127 VanDerWaalsContact CG2-CD1 3.45Å; I123-I127 HydrophobicContact CG2-CG1 4.02Å; I123-I127 WeakPolarHBondContact O-CB 3.39Å; I123-I127 WeakPolarHBondContact O-CG1 3.38Å; I123-I127 PolarHBondContact O-N 3.18Å
124A90.3Very high90.3Very high0 Ų040.2 Ų40.20%019%0.187CC..Hα-helixtrans-53.8-52.7175.700000111.3Y120 T121 T122 S128 I143 I147Y120-A124 WeakPolarHBondContact O-CB 3.27Å; Y120-A124 PolarHBondContact O-N 3.26Å; T121-A124 WeakPolarHBondContact O-CB 3.44Å; T121-A124 PolarHBondContact O-N 2.99Å; T122-A124 VanDerWaalsContact C-N 3.29Å; T122-A124 PolarHBondContact O-N 3.31Å; A124-S128 VanDerWaalsContact O-CB 3.26Å; A124-S128 WeakPolarHBondContact O-CB 3.46Å; A124-S128 PolarHBondContact O-N 3.37Å; A124-S128 PolarHBondContact O-OG 3.41Å; A124-I143 HydrophobicContact CB-CG2 3.87Å; A124-I147 HydrophobicContact CB-CD1 3.35Å
125V89.1Confident90.2Very high33 Ų3342.2 Ų42.220%0.220%0.202CC..Hα-helixtrans-64.5-43.4-179.2175.40000110.2V72 L74 L82 T121 T122 I123 S128 A129V72-V125 HydrophobicContact CG1-CG1 4.5Å; L74-V125 HydrophobicContact CD1-CG1 4.41Å; L82-V125 HydrophobicContact CD1-CG1 4.13Å; T121-V125 PolarHBondContact O-N 3.44Å; T122-V125 PolarHBondContact O-N 3.39Å; I123-V125 VanDerWaalsContact C-N 3.35Å; I123-V125 PolarHBondContact O-N 2.98Å; V125-S128 PolarHBondContact O-N 2.98Å; V125-A129 VanDerWaalsContact O-CB 3.32Å; V125-A129 WeakPolarHBondContact O-CB 3.14Å; V125-A129 PolarHBondContact O-N 2.74Å
126L90.3Very high89.7Confident24 Ų2444.4 Ų44.413%0.12623%0.226CC..Hα-helixtrans-62.8-49.5-179.4-172.867000112.1Y79 I83 I86 T122 I123 S128 A129 I130Y79-L126 HydrophobicContact CD1-CD1 3.52Å; Y79-L126 HydrophobicContact CE1-CD1 3.95Å; I83-L126 HydrophobicContact CG1-CD2 4.2Å; I86-L126 HydrophobicContact CD1-CD2 3.99Å; T122-L126 WeakPolarHBondContact O-CB 3.33Å; T122-L126 PolarHBondContact O-N 2.71Å; I123-L126 PolarHBondContact O-N 3.12Å; L126-S128 VanDerWaalsContact C-N 3.33Å; L126-S128 PolarHBondContact O-N 3.26Å; L126-A129 PolarHBondContact O-N 3.12Å; L126-I130 HydrophobicContact CD1-CD1 4.4Å; L126-I130 HydrophobicContact CG-CD1 4.08Å; L126-I130 VanDerWaalsContact O-CG1 3.25Å; L126-I130 WeakPolarHBondContact O-CG1 3.2Å; L126-I130 PolarHBondContact O-N 3.18Å
127I90.1Very high89.4Confident74 Ų7452.7 Ų52.738%0.37926%0.256SS..Hα-helixtrans-62.4-43.6178.1-71.3176.4000110.3I123 A129 I130 I131 I143I123-I127 HydrophobicContact CG2-CD1 3.45Å; I123-I127 VanDerWaalsContact CG2-CD1 3.45Å; I123-I127 HydrophobicContact CG2-CG1 4.02Å; I123-I127 WeakPolarHBondContact O-CB 3.39Å; I123-I127 WeakPolarHBondContact O-CG1 3.38Å; I123-I127 PolarHBondContact O-N 3.18Å; I127-A129 PolarHBondContact O-N 3.31Å; I127-I130 PolarHBondContact O-N 3.47Å; I127-I131 HydrophobicContact CG2-CD1 3.63Å; I127-I131 HydrophobicContact CG2-CG1 4.44Å; I127-I131 WeakPolarHBondContact O-CG1 3.33Å; I127-I131 PolarHBondContact O-N 3.3Å; I127-I143 HydrophobicContact CG2-CD1 3.96Å
128S90.2Very high89.2Confident0 Ų058.2 Ų58.20%028%0.277CS..Hα-helixtrans-63.7-42.7-179.8-57.20000111.9A124 V125 L126 I131 E132 D140A124-S128 VanDerWaalsContact O-CB 3.26Å; A124-S128 WeakPolarHBondContact O-CB 3.46Å; A124-S128 PolarHBondContact O-N 3.37Å; A124-S128 PolarHBondContact O-OG 3.41Å; V125-S128 PolarHBondContact O-N 2.98Å; L126-S128 VanDerWaalsContact C-N 3.33Å; L126-S128 PolarHBondContact O-N 3.26Å; S128-I131 PolarHBondContact O-N 2.83Å; S128-E132 WeakPolarHBondContact O-CB 3.26Å; S128-E132 PolarHBondContact O-N 3.43Å; S128-D140 WeakPolarHBondContact CB-OD1 3.48Å; S128-D140 WeakPolarHBondContact OG-CA 3.48Å
129A88.4Confident89.2Confident1 Ų159.8 Ų59.81%0.00829%0.285CS..Hα-helixtrans-65.5-40.8176.600000112.5V72 L74 Y79 V125 L126 I127 E132 W133V72-A129 HydrophobicContact CB-CB 4.5Å; V72-A129 HydrophobicContact CG1-CB 3.87Å; L74-A129 HydrophobicContact CD1-CB 3.49Å; L74-A129 VanDerWaalsContact CD1-CB 3.49Å; L74-A129 HydrophobicContact CG-CB 3.93Å; Y79-A129 HydrophobicContact CE1-CB 4.15Å; Y79-A129 WeakPolarHBondContact OH-CB 3.44Å; V125-A129 VanDerWaalsContact O-CB 3.32Å; V125-A129 WeakPolarHBondContact O-CB 3.14Å; V125-A129 PolarHBondContact O-N 2.74Å; L126-A129 PolarHBondContact O-N 3.12Å; I127-A129 PolarHBondContact O-N 3.31Å; A129-E132 PolarHBondContact O-N 2.95Å; A129-W133 WeakPolarHBondContact O-CB 3.5Å; A129-W133 PolarHBondContact O-N 2.94Å
130I89Confident88.9Confident69 Ų6960 Ų6035%0.35429%0.286SS..Hα-helixtrans-63.1-47.3175.9-69.6167.1000110.4Y79 L126 I127 W133 F134Y79-I130 HydrophobicContact CE1-CG1 4.08Å; L126-I130 HydrophobicContact CD1-CD1 4.4Å; L126-I130 HydrophobicContact CG-CD1 4.08Å; L126-I130 VanDerWaalsContact O-CG1 3.25Å; L126-I130 WeakPolarHBondContact O-CG1 3.2Å; L126-I130 PolarHBondContact O-N 3.18Å; I127-I130 PolarHBondContact O-N 3.47Å; I130-W133 WeakPolarHBondContact O-CB 3.49Å; I130-W133 PolarHBondContact O-N 3.02Å; I130-F134 HydrophobicContact CG2-CD2 3.96Å; I130-F134 HydrophobicContact CG2-CE2 3.95Å; I130-F134 VanDerWaalsContact O-CD2 3.3Å; I130-F134 WeakPolarHBondContact O-CD2 3.33Å; I130-F134 PolarHBondContact O-N 3.41Å
131I89.8Confident88.9Confident58 Ų5855.8 Ų55.830%0.29727%0.271SS..Hα-helixtrans-66.4-40.6-179.5-68.3169000110.8I127 S128 W133 F134 S135 I139I127-I131 HydrophobicContact CG2-CD1 3.63Å; I127-I131 HydrophobicContact CG2-CG1 4.44Å; I127-I131 WeakPolarHBondContact O-CG1 3.33Å; I127-I131 PolarHBondContact O-N 3.3Å; S128-I131 PolarHBondContact O-N 2.83Å; I131-W133 VanDerWaalsContact C-N 3.28Å; I131-W133 PolarHBondContact O-N 3.46Å; I131-F134 PolarHBondContact O-N 3.34Å; I131-S135 WeakPolarHBondContact CG2-OG 3.42Å; I131-S135 WeakPolarHBondContact O-CB 3.46Å; I131-S135 PolarHBondContact O-N 3.2Å; I131-S135 PolarHBondContact O-OG 3.28Å; I131-I139 HydrophobicContact CB-CD1 3.8Å; I131-I139 HydrophobicContact CB-CG1 4.48Å; I131-I139 HydrophobicContact CD1-CD1 3.46Å; I131-I139 VanDerWaalsContact CD1-CD1 3.46Å; I131-I139 HydrophobicContact CG1-CD1 4.21Å; I131-I139 HydrophobicContact CG2-CD1 3.63Å; I131-I139 HydrophobicContact CG2-CG1 4.32Å
132E88.6Confident89.1Confident20 Ų2061.6 Ų61.69%0.09329%0.292CS..Hα-helixtrans-60.3-39.2174.7-171.2177.9150.200111.4N71 V72 S128 A129 F134 G136N71-E132 WeakPolarHBondContact CA-OE1 3.49Å; N71-E132 VanDerWaalsContact CB-OE1 3.25Å; N71-E132 WeakPolarHBondContact CB-OE1 3.36Å; V72-E132 WeakPolarHBondContact CB-OE2 3.21Å; V72-E132 VanDerWaalsContact N-CD 3.29Å; V72-E132 PolarHBondContact N-OE1 3.47Å; V72-E132 PolarHBondContact N-OE2 3.08Å; S128-E132 WeakPolarHBondContact O-CB 3.26Å; S128-E132 PolarHBondContact O-N 3.43Å; A129-E132 PolarHBondContact O-N 2.95Å; E132-F134 PolarHBondContact O-N 3.32Å; E132-G136 WeakPolarHBondContact O-CA 3.3Å; E132-G136 PolarHBondContact O-N 3.29Å
133W86.4Confident89.1Confident190 Ų19062.6 Ų62.672%0.7230%0.296SS*.Hα-helixtrans-63.5-40.8178.3-171.874.2000113.4A129 I130 I131A129-W133 WeakPolarHBondContact O-CB 3.5Å; A129-W133 PolarHBondContact O-N 2.94Å; I130-W133 WeakPolarHBondContact O-CB 3.49Å; I130-W133 PolarHBondContact O-N 3.02Å; I131-W133 VanDerWaalsContact C-N 3.28Å; I131-W133 PolarHBondContact O-N 3.46Å
134F88.1Confident89.2Confident156 Ų15659.9 Ų59.968%0.68428%0.282SS*.Hα-helixtrans-84.2-39.8-179.3-77.7-75.8000114.1I130 I131 E132I130-F134 HydrophobicContact CG2-CD2 3.96Å; I130-F134 HydrophobicContact CG2-CE2 3.95Å; I130-F134 VanDerWaalsContact O-CD2 3.3Å; I130-F134 WeakPolarHBondContact O-CD2 3.33Å; I130-F134 PolarHBondContact O-N 3.41Å; I131-F134 PolarHBondContact O-N 3.34Å; E132-F134 PolarHBondContact O-N 3.32Å
135S87.7Confident89.4Confident51 Ų5163.1 Ų63.136%0.35730%0.296SS..Hα-helixtrans-107.3-18-169.768.60000114.2I131 W137I131-S135 WeakPolarHBondContact CG2-OG 3.42Å; I131-S135 WeakPolarHBondContact O-CB 3.46Å; I131-S135 PolarHBondContact O-N 3.2Å; I131-S135 PolarHBondContact O-OG 3.28Å; S135-W137 PolarHBondContact O-N 3.39Å; S135-W137 VanDerWaalsContact OG-CB 3.32Å; S135-W137 WeakPolarHBondContact OG-CB 3.34Å; S135-W137 PolarHBondContact OG-N 2.85Å; S135-W137 VanDerWaalsContact OG-N 3.09Å
136G82.9Confident89.7Confident52 Ų5267.2 Ų67.254%0.53632%0.317SS..  trans71.23.4-167.800000114.2E132E132-G136 WeakPolarHBondContact O-CA 3.3Å; E132-G136 PolarHBondContact O-N 3.29Å
137W86.3Confident89.9Confident180 Ų18067.7 Ų67.768%0.68232%0.319SS*.  trans-80125.7-177.7-63.7-3.7000111.8S135 I139S135-W137 PolarHBondContact O-N 3.39Å; S135-W137 VanDerWaalsContact OG-CB 3.32Å; S135-W137 WeakPolarHBondContact OG-CB 3.34Å; S135-W137 PolarHBondContact OG-N 2.85Å; S135-W137 VanDerWaalsContact OG-N 3.09Å; W137-I139 HydrophobicContact CB-CG2 4Å; W137-I139 PolarHBondContact O-N 3.37Å; W137-I139 VanDerWaalsContact O-N 3.16Å
138R87.4Confident90.1Very high120 Ų12064.1 Ų64.145%0.45330%0.301SS..  trans-87.679.9179-62.9-178.8-176.8158.79.8110.9P69 N71P69-R138 HydrophobicContact CB-CB 4.01Å; P69-R138 VanDerWaalsContact CB-CD 3.42Å; P69-R138 HydrophobicContact CB-CG 4.39Å; P69-R138 PolarHBondContact O-NH1 3.18Å; N71-R138 PolarHBondContact OD1-NE 3.29Å; N71-R138 PolarHBondContact OD1-NH2 2.91Å
139I90.2Very high90.4Very high38 Ų3868 Ų6820%0.19532%0.321CS..  trans-98.7-4.6-175.564.5172.7000114.6I131 W137 G141 Y142 I143I131-I139 HydrophobicContact CB-CD1 3.8Å; I131-I139 HydrophobicContact CB-CG1 4.48Å; I131-I139 HydrophobicContact CD1-CD1 3.46Å; I131-I139 VanDerWaalsContact CD1-CD1 3.46Å; I131-I139 HydrophobicContact CG1-CD1 4.21Å; I131-I139 HydrophobicContact CG2-CD1 3.63Å; I131-I139 HydrophobicContact CG2-CG1 4.32Å; W137-I139 HydrophobicContact CB-CG2 4Å; W137-I139 PolarHBondContact O-N 3.37Å; W137-I139 VanDerWaalsContact O-N 3.16Å; I139-G141 VanDerWaalsContact C-N 3.28Å; I139-G141 PolarHBondContact O-N 2.87Å; I139-Y142 PolarHBondContact O-N 2.82Å; I139-I143 HydrophobicContact CD1-CD1 3.47Å; I139-I143 VanDerWaalsContact CD1-CD1 3.47Å; I139-I143 HydrophobicContact CD1-CG1 4.29Å; I139-I143 HydrophobicContact CG1-CD1 3.93Å; I139-I143 HydrophobicContact CG1-CG1 4.44Å; I139-I143 PolarHBondContact O-N 3.4Å
140D88.5Confident90.7Very high9 Ų973 Ų735%0.04834%0.34CS..Hα-helixtrans-54.9-41.7-174.9-175.471.6000113.3K65 V72 S128 Y142 G144K65-D140 WeakPolarHBondContact CD-OD2 3.08Å; K65-D140 WeakPolarHBondContact CE-OD2 3.31Å; K65-D140 IonicContact NZ-OD2 2.87Å; K65-D140 PolarHBondContact NZ-OD2 3.47Å; V72-D140 HydrophobicContact CG2-CB 3.77Å; S128-D140 WeakPolarHBondContact CB-OD1 3.48Å; S128-D140 WeakPolarHBondContact OG-CA 3.48Å; D140-Y142 VanDerWaalsContact C-N 3.33Å; D140-Y142 PolarHBondContact O-N 2.74Å; D140-G144 PolarHBondContact O-N 3.02Å
141G91Very high90.9Very high4 Ų470 Ų704%0.04133%0.325CS..Hα-helixtrans-59.5-42.2175.400000112.8S62 I66 I139 F145S62-G141 WeakPolarHBondContact O-CA 3.32Å; I66-G141 VanDerWaalsContact CG1-C 3.44Å; I139-G141 VanDerWaalsContact C-N 3.28Å; I139-G141 PolarHBondContact O-N 2.87Å; G141-F145 WeakPolarHBondContact O-CB 3.44Å; G141-F145 PolarHBondContact O-N 2.91Å
142Y93.3Very high91.3Very high140 Ų14068.7 Ų68.755%0.54932%0.318SS..Hα-helixtrans-72.9-45-178.8-62.8-80.2000112.4I66 I139 D140 F145 L146I66-Y142 HydrophobicContact CD1-CD1 4.08Å; I66-Y142 HydrophobicContact CD1-CE1 4.36Å; I66-Y142 HydrophobicContact CG1-CD1 4.28Å; I66-Y142 HydrophobicContact CG1-CE1 4.37Å; I66-Y142 HydrophobicContact CG1-CG 4.42Å; I66-Y142 HydrophobicContact CG2-CE1 4.04Å; I139-Y142 PolarHBondContact O-N 2.82Å; D140-Y142 VanDerWaalsContact C-N 3.33Å; D140-Y142 PolarHBondContact O-N 2.74Å; Y142-F145 PolarHBondContact O-N 2.99Å; Y142-L146 PolarHBondContact O-N 2.8Å; Y142-L146 VanDerWaalsContact O-N 3.16Å
143I92.6Very high91.7Very high38 Ų3875.1 Ų75.120%0.19534%0.343CS..Hα-helixtrans-64.7-46.9177.7-65.6-175.5000110A124 I127 I139 F145 L146 I147A124-I143 HydrophobicContact CB-CG2 3.87Å; I127-I143 HydrophobicContact CG2-CD1 3.96Å; I139-I143 HydrophobicContact CD1-CD1 3.47Å; I139-I143 VanDerWaalsContact CD1-CD1 3.47Å; I139-I143 HydrophobicContact CD1-CG1 4.29Å; I139-I143 HydrophobicContact CG1-CD1 3.93Å; I139-I143 HydrophobicContact CG1-CG1 4.44Å; I139-I143 PolarHBondContact O-N 3.4Å; I143-F145 VanDerWaalsContact C-N 3.3Å; I143-F145 PolarHBondContact O-N 3.25Å; I143-L146 PolarHBondContact O-N 2.96Å; I143-I147 HydrophobicContact CG2-CD1 3.85Å; I143-I147 PolarHBondContact O-N 3.28Å; I143-I147 VanDerWaalsContact O-N 3.07Å
144G93Very high92Very high1 Ų166.7 Ų66.71%0.0131%0.313CS..Hα-helixtrans-59.4-40.817700000112.3S62 D140 L146 I147 A148S62-G144 WeakPolarHBondContact OG-CA 3.47Å; D140-G144 PolarHBondContact O-N 3.02Å; G144-L146 PolarHBondContact O-N 3.28Å; G144-I147 PolarHBondContact O-N 2.98Å; G144-A148 VanDerWaalsContact O-CB 3.26Å; G144-A148 WeakPolarHBondContact O-CB 3.44Å; G144-A148 PolarHBondContact O-N 3.38Å
145F94.2Very high92.4Very high67 Ų6759.2 Ų59.229%0.29428%0.28SS..Hα-helixtrans-60.8-46.8177.3-176.7-89.5000112L59 S62 F63 I66 G141 Y142 I143 I147 A148 L149L59-F145 HydrophobicContact CD1-CD2 3.57Å; L59-F145 HydrophobicContact CD1-CE2 3.68Å; L59-F145 HydrophobicContact CD1-CG 4.09Å; L59-F145 HydrophobicContact CD1-CZ 4.28Å; L59-F145 HydrophobicContact CG-CD2 4.32Å; L59-F145 HydrophobicContact CG-CE2 4.26Å; S62-F145 VanDerWaalsContact CB-N 3.33Å; S62-F145 PolarHBondContact OG-N 3.31Å; F63-F145 HydrophobicContact CD2-CE2 4.27Å; I66-F145 HydrophobicContact CD1-CB 4.04Å; I66-F145 HydrophobicContact CD1-CD2 4.35Å; I66-F145 HydrophobicContact CD1-CG 4.29Å; G141-F145 WeakPolarHBondContact O-CB 3.44Å; G141-F145 PolarHBondContact O-N 2.91Å; Y142-F145 PolarHBondContact O-N 2.99Å; I143-F145 VanDerWaalsContact C-N 3.3Å; I143-F145 PolarHBondContact O-N 3.25Å; F145-I147 PolarHBondContact O-N 2.79Å; F145-A148 PolarHBondContact O-N 3.21Å; F145-L149 HydrophobicContact CD1-CD1 4.05Å; F145-L149 HydrophobicContact CD1-CG 4.47Å; F145-L149 HydrophobicContact CE1-CD1 3.58Å; F145-L149 HydrophobicContact CE1-CG 4.2Å; F145-L149 HydrophobicContact CZ-CD1 4.27Å; F145-L149 WeakPolarHBondContact O-CG 3.44Å; F145-L149 PolarHBondContact O-N 2.9Å; F145-L149 VanDerWaalsContact O-N 3.1Å
146L95.5Very high92.8Very high120 Ų12059.9 Ų59.963%0.62828%0.282SS*.Hα-helixtrans-62.4-42.5177.7-70.6176.3000112.3Y142 I143 G144 L149 Y150Y142-L146 PolarHBondContact O-N 2.8Å; Y142-L146 VanDerWaalsContact O-N 3.16Å; I143-L146 PolarHBondContact O-N 2.96Å; G144-L146 PolarHBondContact O-N 3.28Å; L146-L149 PolarHBondContact O-N 3.39Å; L146-Y150 PolarHBondContact O-N 3.44Å
147I94.2Very high93.5Very high33 Ų3364 Ų6417%0.16929%0.285CS..Hα-helixtrans-69.8-39.4179.6-72.3169.2000111.1F58 T121 A124 I143 G144 F145 L149 Y150 I151F58-I147 HydrophobicContact CE1-CB 4.42Å; F58-I147 HydrophobicContact CE1-CG2 4.1Å; T121-I147 HydrophobicContact CG2-CG2 4.32Å; A124-I147 HydrophobicContact CB-CD1 3.35Å; I143-I147 HydrophobicContact CG2-CD1 3.85Å; I143-I147 PolarHBondContact O-N 3.28Å; I143-I147 VanDerWaalsContact O-N 3.07Å; G144-I147 PolarHBondContact O-N 2.98Å; F145-I147 PolarHBondContact O-N 2.79Å; I147-L149 VanDerWaalsContact C-N 3.33Å; I147-L149 PolarHBondContact O-N 2.98Å; I147-Y150 WeakPolarHBondContact O-CB 3.31Å; I147-Y150 PolarHBondContact O-N 2.88Å; I147-Y150 VanDerWaalsContact O-N 3.15Å; I147-I151 HydrophobicContact CG2-CD1 3.78Å; I147-I151 HydrophobicContact CG2-CG1 4.32Å; I147-I151 VanDerWaalsContact O-CG1 3.31Å; I147-I151 WeakPolarHBondContact O-CG1 3.38Å; I147-I151 PolarHBondContact O-N 3.21Å
148A94.4Very high93.9Very high0 Ų056.5 Ų56.50%026%0.258CS..Hα-helixtrans-60.6-41.3175.800000112.2F58 L59 G144 F145 Y150 I151 I152F58-A148 HydrophobicContact CB-CB 4.37Å; F58-A148 HydrophobicContact CD1-CB 3.65Å; F58-A148 HydrophobicContact CE1-CB 4.34Å; F58-A148 HydrophobicContact CG-CB 4.33Å; L59-A148 HydrophobicContact CB-CB 3.7Å; L59-A148 HydrophobicContact CD1-CB 3.66Å; L59-A148 HydrophobicContact CG-CB 4.31Å; G144-A148 VanDerWaalsContact O-CB 3.26Å; G144-A148 WeakPolarHBondContact O-CB 3.44Å; G144-A148 PolarHBondContact O-N 3.38Å; F145-A148 PolarHBondContact O-N 3.21Å; A148-Y150 VanDerWaalsContact C-N 3.33Å; A148-Y150 PolarHBondContact O-N 3.48Å; A148-I151 PolarHBondContact O-N 3.29Å; A148-I152 WeakPolarHBondContact O-CD1 3.46Å; A148-I152 VanDerWaalsContact O-CG1 3.29Å; A148-I152 WeakPolarHBondContact O-CG1 3.4Å; A148-I152 PolarHBondContact O-N 3.41Å
149L96.7Very high94.3Very high81 Ų8152.2 Ų52.242%0.42424%0.244SC..Hα-helixtrans-59.6-42.6173.4-71.4179.4000112.3L59 F145 L146 I147 I152 Y153L59-L149 HydrophobicContact CD1-CD2 3.89Å; L59-L149 HydrophobicContact CD1-CG 3.97Å; L59-L149 HydrophobicContact CD2-CD2 4.36Å; F145-L149 HydrophobicContact CD1-CD1 4.05Å; F145-L149 HydrophobicContact CD1-CG 4.47Å; F145-L149 HydrophobicContact CE1-CD1 3.58Å; F145-L149 HydrophobicContact CE1-CG 4.2Å; F145-L149 HydrophobicContact CZ-CD1 4.27Å; F145-L149 WeakPolarHBondContact O-CG 3.44Å; F145-L149 PolarHBondContact O-N 2.9Å; F145-L149 VanDerWaalsContact O-N 3.1Å; L146-L149 PolarHBondContact O-N 3.39Å; I147-L149 VanDerWaalsContact C-N 3.33Å; I147-L149 PolarHBondContact O-N 2.98Å; L149-I152 PolarHBondContact O-N 3.43Å; L149-Y153 WeakPolarHBondContact O-CB 3.02Å; L149-Y153 PolarHBondContact O-N 3.34Å
150Y95.2Very high94.6Very high106 Ų10655.6 Ų55.642%0.41626%0.26SS..Hα-helixtrans-63.2-43.3176175.3-93000112.1Y120 L146 I147 A148 Y153 S154Y120-Y150 HydrophobicContact CD2-CD1 4.16Å; Y120-Y150 AromaticContact CD2-CE1 3.83Å; Y120-Y150 HydrophobicContact CD2-CE1 3.83Å; Y120-Y150 HydrophobicContact CE2-CD1 4.33Å; Y120-Y150 AromaticContact CE2-CE1 3.59Å; Y120-Y150 HydrophobicContact CE2-CE1 3.59Å; L146-Y150 PolarHBondContact O-N 3.44Å; I147-Y150 WeakPolarHBondContact O-CB 3.31Å; I147-Y150 PolarHBondContact O-N 2.88Å; I147-Y150 VanDerWaalsContact O-N 3.15Å; A148-Y150 VanDerWaalsContact C-N 3.33Å; A148-Y150 PolarHBondContact O-N 3.48Å; Y150-Y153 PolarHBondContact O-N 2.93Å; Y150-S154 WeakPolarHBondContact O-CB 3.19Å; Y150-S154 PolarHBondContact O-N 2.97Å
151I93.8Very high94.9Very high6 Ų657.8 Ų57.83%0.03128%0.275CS..Hα-helixtrans-63-45178.2-66.9170.2000110.7V51 F58 N117 T121 I147 A148 S154 G155V51-I151 HydrophobicContact CG1-CG2 4.3Å; F58-I151 HydrophobicContact CD1-CD1 4.38Å; N117-I151 HydrophobicContact CB-CD1 4.09Å; N117-I151 HydrophobicContact CB-CG1 3.86Å; N117-I151 HydrophobicContact CB-CG2 4.24Å; T121-I151 HydrophobicContact CG2-CD1 3.31Å; I147-I151 HydrophobicContact CG2-CD1 3.78Å; I147-I151 HydrophobicContact CG2-CG1 4.32Å; I147-I151 VanDerWaalsContact O-CG1 3.31Å; I147-I151 WeakPolarHBondContact O-CG1 3.38Å; I147-I151 PolarHBondContact O-N 3.21Å; A148-I151 PolarHBondContact O-N 3.29Å; I151-S154 PolarHBondContact O-N 3.17Å; I151-G155 PolarHBondContact O-N 3.42Å
152I96.4Very high95.1Very high31 Ų3157.8 Ų57.816%0.15927%0.274CS..Hα-helixtrans-60.3-47.7176.1-68.5159.6000110.4T52 I56 L59 A148 L149 S154 G155 V156T52-I152 HydrophobicContact CG2-CG2 4.46Å; I56-I152 HydrophobicContact CG1-CD1 4.08Å; I56-I152 HydrophobicContact CG1-CG1 4.1Å; L59-I152 HydrophobicContact CB-CD1 4.07Å; L59-I152 HydrophobicContact CD2-CD1 3.85Å; L59-I152 HydrophobicContact CG-CD1 4.4Å; A148-I152 WeakPolarHBondContact O-CD1 3.46Å; A148-I152 VanDerWaalsContact O-CG1 3.29Å; A148-I152 WeakPolarHBondContact O-CG1 3.4Å; A148-I152 PolarHBondContact O-N 3.41Å; L149-I152 PolarHBondContact O-N 3.43Å; I152-S154 VanDerWaalsContact C-N 3.32Å; I152-S154 PolarHBondContact O-N 3.04Å; I152-G155 PolarHBondContact O-N 3.17Å; I152-V156 HydrophobicContact CG2-CG2 4.31Å; I152-V156 WeakPolarHBondContact O-CG2 3.27Å; I152-V156 PolarHBondContact O-N 3.48Å
153Y97Very high95.2Very high154 Ų15453.9 Ų53.960%0.60426%0.262SS*.Hα-helixtrans-58.2-44.7176.8171.9-102.9000112L149 Y150 V156 K157L149-Y153 WeakPolarHBondContact O-CB 3.02Å; L149-Y153 PolarHBondContact O-N 3.34Å; Y150-Y153 PolarHBondContact O-N 2.93Å; Y153-V156 PolarHBondContact O-N 3.18Å; Y153-K157 WeakPolarHBondContact O-CB 3.19Å; Y153-K157 PolarHBondContact O-N 2.94Å
154S94.4Very high95.2Very high13 Ų1355.6 Ų55.69%0.09127%0.272CS..Hα-helixtrans-60.9-45.2175.8-174.70000111.7Q113 Y150 I151 I152 K157 M158Q113-S154 VanDerWaalsContact CG-OG 3.28Å; Q113-S154 WeakPolarHBondContact CG-OG 3.29Å; Y150-S154 WeakPolarHBondContact O-CB 3.19Å; Y150-S154 PolarHBondContact O-N 2.97Å; I151-S154 PolarHBondContact O-N 3.17Å; I152-S154 VanDerWaalsContact C-N 3.32Å; I152-S154 PolarHBondContact O-N 3.04Å; S154-K157 PolarHBondContact O-N 3.29Å; S154-M158 VanDerWaalsContact O-CG 3.27Å; S154-M158 WeakPolarHBondContact O-CG 3.42Å; S154-M158 PolarHBondContact O-N 3.04Å
155G95.3Very high95.1Very high0 Ų056.4 Ų56.40%028%0.276CS..Hα-helixtrans-62.6-46.5178.500000112.5T52 I151 I152 K157 M158 I159T52-G155 VanDerWaalsContact OG1-CA 3.27Å; T52-G155 WeakPolarHBondContact OG1-CA 3.44Å; I151-G155 PolarHBondContact O-N 3.42Å; I152-G155 PolarHBondContact O-N 3.17Å; G155-K157 VanDerWaalsContact C-N 3.34Å; G155-K157 PolarHBondContact O-N 3.4Å; G155-M158 WeakPolarHBondContact O-CB 3.42Å; G155-M158 PolarHBondContact O-N 2.92Å; G155-M158 VanDerWaalsContact O-N 3.17Å; G155-I159 WeakPolarHBondContact O-CG1 3.36Å; G155-I159 PolarHBondContact O-N 2.86Å
156V97.1Very high95.1Very high64 Ų6455.9 Ų55.939%0.38828%0.276SS..Hα-helixtrans-62.2-40.9176.4172.60000111.5T52 I152 Y153 M158 I159 M160T52-V156 HydrophobicContact CG2-CG2 4.17Å; I152-V156 HydrophobicContact CG2-CG2 4.31Å; I152-V156 WeakPolarHBondContact O-CG2 3.27Å; I152-V156 PolarHBondContact O-N 3.48Å; Y153-V156 PolarHBondContact O-N 3.18Å; V156-M158 VanDerWaalsContact C-N 3.31Å; V156-M158 PolarHBondContact O-N 2.73Å; V156-I159 PolarHBondContact O-N 3.25Å; V156-M160 WeakPolarHBondContact O-CG 3.4Å; V156-M160 PolarHBondContact O-N 3.3Å
157K96.2Very high94.9Very high139 Ų13956.6 Ų56.660%0.60428%0.278SS*.Hα-helixtrans-61.2-41175.3-174.7-179.3178-176.50111.8Y153 S154 G155 M160 S161Y153-K157 WeakPolarHBondContact O-CB 3.19Å; Y153-K157 PolarHBondContact O-N 2.94Å; S154-K157 PolarHBondContact O-N 3.29Å; G155-K157 VanDerWaalsContact C-N 3.34Å; G155-K157 PolarHBondContact O-N 3.4Å; K157-M160 PolarHBondContact O-N 3.22Å; K157-S161 PolarHBondContact O-N 2.71Å; K157-S161 VanDerWaalsContact O-N 3.08Å
158M94.9Very high94.6Very high22 Ų2256.9 Ų56.911%0.10829%0.289CS..Hα-helixtrans-66.6-43.5176.8-68.8165.646.300111.7S48 A110 Q113 S154 G155 V156 M160 S161 F162S48-M158 VanDerWaalsContact OG-CB 3.3Å; S48-M158 WeakPolarHBondContact OG-CB 3.14Å; S48-M158 WeakPolarHBondContact OG-CE 3.48Å; A110-M158 VanDerWaalsContact CA-CE 3.47Å; A110-M158 HydrophobicContact CB-CE 3.3Å; Q113-M158 HydrophobicContact CB-SD 3.93Å; Q113-M158 HydrophobicContact CG-SD 3.8Å; S154-M158 VanDerWaalsContact O-CG 3.27Å; S154-M158 WeakPolarHBondContact O-CG 3.42Å; S154-M158 PolarHBondContact O-N 3.04Å; G155-M158 WeakPolarHBondContact O-CB 3.42Å; G155-M158 PolarHBondContact O-N 2.92Å; G155-M158 VanDerWaalsContact O-N 3.17Å; V156-M158 VanDerWaalsContact C-N 3.31Å; V156-M158 PolarHBondContact O-N 2.73Å; M158-M160 VanDerWaalsContact C-N 3.32Å; M158-M160 PolarHBondContact O-N 3.04Å; M158-S161 WeakPolarHBondContact O-CB 3.35Å; M158-S161 PolarHBondContact O-N 2.86Å; M158-S161 VanDerWaalsContact O-N 3.12Å; M158-F162 VanDerWaalsContact O-CD2 3.23Å; M158-F162 WeakPolarHBondContact O-CD2 3.27Å; M158-F162 PolarHBondContact O-N 3.04Å
159I97.1Very high94.1Very high31 Ų3160.2 Ų60.216%0.15931%0.309CS..Hα-helixtrans-53.8-50.2173.7-70.2170.7000110.5F45 I49 T52 G155 V156 S161 F162 I163F45-I159 HydrophobicContact CD2-CG2 4.32Å; F45-I159 HydrophobicContact CE2-CG2 3.88Å; I49-I159 HydrophobicContact CG1-CD1 4.08Å; I49-I159 HydrophobicContact CG1-CG1 4.33Å; T52-I159 WeakPolarHBondContact OG1-CD1 3.36Å; G155-I159 WeakPolarHBondContact O-CG1 3.36Å; G155-I159 PolarHBondContact O-N 2.86Å; V156-I159 PolarHBondContact O-N 3.25Å; I159-S161 VanDerWaalsContact C-N 3.29Å; I159-S161 PolarHBondContact O-N 3.05Å; I159-F162 PolarHBondContact O-N 3.43Å; I159-I163 HydrophobicContact CG2-CD1 3.74Å; I159-I163 HydrophobicContact CG2-CG1 4.37Å; I159-I163 WeakPolarHBondContact O-CG1 3.47Å; I159-I163 PolarHBondContact O-N 2.91Å
160M96.2Very high93.6Very high109 Ų10962.3 Ų62.354%0.53731%0.311SS..Hα-helixtrans-61.9-36.8179.5-69.4-63.2-165.800112.4V156 K157 M158 N164V156-M160 WeakPolarHBondContact O-CG 3.4Å; V156-M160 PolarHBondContact O-N 3.3Å; K157-M160 PolarHBondContact O-N 3.22Å; M158-M160 VanDerWaalsContact C-N 3.32Å; M158-M160 PolarHBondContact O-N 3.04Å; M160-N164 PolarHBondContact O-N 3.44Å; M160-N164 PolarHBondContact O-ND2 2.69Å; M160-N164 VanDerWaalsContact O-ND2 3.08Å
161S94Very high93.2Very high54 Ų5458 Ų5838%0.37830%0.297SS..Hα-helixtrans-60.4-54174.9-161.20000111.2K157 M158 I159 I163 N164 D165K157-S161 PolarHBondContact O-N 2.71Å; K157-S161 VanDerWaalsContact O-N 3.08Å; M158-S161 WeakPolarHBondContact O-CB 3.35Å; M158-S161 PolarHBondContact O-N 2.86Å; M158-S161 VanDerWaalsContact O-N 3.12Å; I159-S161 VanDerWaalsContact C-N 3.29Å; I159-S161 PolarHBondContact O-N 3.05Å; S161-I163 VanDerWaalsContact C-N 3.32Å; S161-I163 PolarHBondContact O-N 2.92Å; S161-N164 WeakPolarHBondContact O-CB 3.4Å; S161-N164 PolarHBondContact O-N 2.64Å; S161-D165 PolarHBondContact O-N 3.22Å
162F95.1Very high92.9Very high4 Ų464.6 Ų64.62%0.01832%0.321CS..Hα-helixtrans-66.7-31.5-179.1-71-66.8000113.3Y41 G44 F45 S48 D106 A110 M158 I159 N164 D165 L166Y41-F162 HydrophobicContact CD1-CD1 4.34Å; Y41-F162 HydrophobicContact CD1-CE1 4.49Å; Y41-F162 WeakPolarHBondContact O-CD1 3.3Å; G44-F162 VanDerWaalsContact CA-CZ 3.42Å; G44-F162 WeakPolarHBondContact O-CD2 3.47Å; G44-F162 VanDerWaalsContact O-CE2 3.31Å; G44-F162 WeakPolarHBondContact O-CE2 3.41Å; F45-F162 HydrophobicContact CB-CB 3.85Å; F45-F162 HydrophobicContact CB-CG 4.35Å; F45-F162 HydrophobicContact CD2-CB 4.38Å; S48-F162 WeakPolarHBondContact OG-CD2 3.39Å; S48-F162 WeakPolarHBondContact OG-CE2 3.48Å; D106-F162 HydrophobicContact CB-CE1 3.91Å; D106-F162 HydrophobicContact CB-CZ 4.14Å; A110-F162 HydrophobicContact CB-CE2 3.82Å; A110-F162 HydrophobicContact CB-CZ 3.88Å; M158-F162 VanDerWaalsContact O-CD2 3.23Å; M158-F162 WeakPolarHBondContact O-CD2 3.27Å; M158-F162 PolarHBondContact O-N 3.04Å; I159-F162 PolarHBondContact O-N 3.43Å; F162-N164 VanDerWaalsContact C-N 3.33Å; F162-D165 PolarHBondContact O-N 2.82Å; F162-L166 WeakPolarHBondContact O-CB 3.38Å; F162-L166 WeakPolarHBondContact O-CG 3.4Å; F162-L166 PolarHBondContact O-N 2.51Å
163I95.6Very high92.5Very high58 Ų5867.6 Ų67.630%0.29733%0.334SS..Hα-helixtrans-61.4-44.5171.2-72.2172.5000110.2F45 I159 S161 L166 M167F45-I163 HydrophobicContact CD2-CG1 4.11Å; F45-I163 HydrophobicContact CE2-CD1 4.02Å; F45-I163 HydrophobicContact CE2-CG1 3.71Å; I159-I163 HydrophobicContact CG2-CD1 3.74Å; I159-I163 HydrophobicContact CG2-CG1 4.37Å; I159-I163 WeakPolarHBondContact O-CG1 3.47Å; I159-I163 PolarHBondContact O-N 2.91Å; S161-I163 VanDerWaalsContact C-N 3.32Å; S161-I163 PolarHBondContact O-N 2.92Å; I163-L166 PolarHBondContact O-N 2.84Å; I163-M167 HydrophobicContact CG2-CE 3.93Å; I163-M167 HydrophobicContact CG2-CG 4.37Å; I163-M167 HydrophobicContact CG2-SD 4.14Å; I163-M167 WeakPolarHBondContact O-CB 3.31Å; I163-M167 VanDerWaalsContact O-CG 3.3Å; I163-M167 WeakPolarHBondContact O-CG 3.23Å; I163-M167 PolarHBondContact O-N 3.36Å
164N92.8Very high92.2Very high74 Ų7466.9 Ų66.940%0.39634%0.337SS..Hα-helixtrans-62.3-43.7176.7-67.2-31.9000111.4M160 S161 F162 L166 M167 G168 V169M160-N164 PolarHBondContact O-N 3.44Å; M160-N164 PolarHBondContact O-ND2 2.69Å; M160-N164 VanDerWaalsContact O-ND2 3.08Å; S161-N164 WeakPolarHBondContact O-CB 3.4Å; S161-N164 PolarHBondContact O-N 2.64Å; F162-N164 VanDerWaalsContact C-N 3.33Å; N164-L166 VanDerWaalsContact C-N 3.31Å; N164-L166 PolarHBondContact O-N 2.85Å; N164-M167 PolarHBondContact O-N 3.47Å; N164-M167 VanDerWaalsContact OD1-CE 3.32Å; N164-M167 WeakPolarHBondContact OD1-CE 3.42Å; N164-G168 PolarHBondContact O-N 3.43Å; N164-G168 VanDerWaalsContact O-N 3.08Å; N164-V169 HydrophobicContact CB-CG1 3.79Å; N164-V169 WeakPolarHBondContact O-CG1 3.45Å
165D91.7Very high92Very high18 Ų1869 Ų6910%0.09635%0.345CS..Hα-helixtrans-61.5-40.2177.3-59-35.1000111.6Y41 S161 F162 G168Y41-D165 HydrophobicContact CD1-CB 4.08Å; Y41-D165 HydrophobicContact CD2-CB 3.99Å; Y41-D165 HydrophobicContact CE1-CB 4.2Å; Y41-D165 HydrophobicContact CE2-CB 4.12Å; Y41-D165 HydrophobicContact CG-CB 3.98Å; S161-D165 PolarHBondContact O-N 3.22Å; F162-D165 PolarHBondContact O-N 2.82Å; D165-G168 PolarHBondContact O-N 3.18Å
166L92.9Very high91.9Very high57 Ų5769 Ų6930%0.29835%0.345SS..Hα-helixtrans-68.5-34.3175.8-73.1169000113.3I42 F162 I163 N164 G168I42-L166 HydrophobicContact CG1-CD2 3.93Å; F162-L166 WeakPolarHBondContact O-CB 3.38Å; F162-L166 WeakPolarHBondContact O-CG 3.4Å; F162-L166 PolarHBondContact O-N 2.51Å; I163-L166 PolarHBondContact O-N 2.84Å; N164-L166 VanDerWaalsContact C-N 3.31Å; N164-L166 PolarHBondContact O-N 2.85Å; L166-G168 VanDerWaalsContact C-N 3.3Å
167M91.6Very high91.7Very high134 Ų13471.1 Ų71.166%0.6635%0.354SS*.Hα-helixtrans-74.4-20.8176.9-73-171.4-51.800113I163 N164I163-M167 HydrophobicContact CG2-CE 3.93Å; I163-M167 HydrophobicContact CG2-CG 4.37Å; I163-M167 HydrophobicContact CG2-SD 4.14Å; I163-M167 WeakPolarHBondContact O-CB 3.31Å; I163-M167 VanDerWaalsContact O-CG 3.3Å; I163-M167 WeakPolarHBondContact O-CG 3.23Å; I163-M167 PolarHBondContact O-N 3.36Å; N164-M167 PolarHBondContact O-N 3.47Å; N164-M167 VanDerWaalsContact OD1-CE 3.32Å; N164-M167 WeakPolarHBondContact OD1-CE 3.42Å
168G87.9Confident91.6Very high39 Ų3965.9 Ų65.940%0.40234%0.336SS..  trans92.9100-17200000110.8N164 D165 L166N164-G168 PolarHBondContact O-N 3.43Å; N164-G168 VanDerWaalsContact O-N 3.08Å; D165-G168 PolarHBondContact O-N 3.18Å; L166-G168 VanDerWaalsContact C-N 3.3Å
169V85.2Confident91.6Very high70 Ų7065 Ų6542%0.42433%0.332SS..PPolyproline II helixtrans-76.4152.3173.1-68.30000111N164N164-V169 HydrophobicContact CB-CG1 3.79Å; N164-V169 WeakPolarHBondContact O-CG1 3.45Å
170R84.6Confident91.5Very high125 Ų12566.5 Ų66.547%0.47234%0.336SS..PPolyproline II helixtrans-56.9134.6169.5-178.1-179.9168.2154.9-4.9109E173 L333R170-E173 IonicContact CZ-OE1 3.86Å; R170-E173 IonicContact NE-OE1 3.9Å; R170-E173 IonicContact NH2-OE1 3.66Å; R170-E173 PolarHBondContact NH2-OE1 2.97Å; R170-L333 HydrophobicContact CG-CD2 4.44Å
171P87.2Confident91.4Very high17 Ų1768 Ų6811%0.1134%0.339CS..PPolyproline II helixtrans-58.3153.6174.828.2-39.5000111.1V176 I197P171-V176 HydrophobicContact CB-CG2 4.08Å; P171-V176 HydrophobicContact CG-CG2 3.77Å; P171-I197 HydrophobicContact CB-CB 3.89Å; P171-I197 HydrophobicContact CB-CD1 4.04Å; P171-I197 HydrophobicContact CB-CG2 4.09Å; P171-I197 HydrophobicContact CG-CB 3.91Å; P171-I197 HydrophobicContact CG-CD1 4.16Å; P171-I197 HydrophobicContact CG-CG1 4.39Å
172R87Confident91.4Very high144 Ų14466.9 Ų66.954%0.54333%0.328SS..PPolyproline II helixtrans-68.2145.1174.5-62176.6-68.9154.4-5.5109E174 E175 V176R172-E174 IonicContact NH1-OE2 2.93Å; R172-E174 PolarHBondContact O-N 2.94Å; R172-E174 VanDerWaalsContact O-N 3.09Å; R172-E175 HydrophobicContact CB-CG 4.27Å; R172-E175 WeakPolarHBondContact CB-OE2 3.3Å; R172-E175 IonicContact CZ-OE1 3.12Å; R172-E175 PolarHBondContact N-OE2 2.98Å; R172-E175 IonicContact NE-OE1 3.94Å; R172-E175 PolarHBondContact NE-OE1 2.99Å; R172-E175 VanDerWaalsContact NE-OE1 3.12Å; R172-E175 IonicContact NE-OE2 2.71Å; R172-E175 IonicContact NH2-OE1 3.73Å; R172-E175 PolarHBondContact NH2-OE1 3.37Å; R172-E175 WeakPolarHBondContact O-CB 3.34Å; R172-E175 PolarHBondContact O-N 3.39Å; R172-V176 PolarHBondContact O-N 3.48Å
173E89.3Confident91.4Very high93 Ų9366.7 Ų66.744%0.43533%0.327SS..Hα-helixtrans-54.5-32.9176.5-68.4-62.814900112.2R170 E175 V176 L177R170-E173 IonicContact CZ-OE1 3.86Å; R170-E173 IonicContact NE-OE1 3.9Å; R170-E173 IonicContact NH2-OE1 3.66Å; R170-E173 PolarHBondContact NH2-OE1 2.97Å; E173-E175 PolarHBondContact O-N 2.96Å; E173-V176 PolarHBondContact O-N 3.39Å; E173-L177 WeakPolarHBondContact O-CB 3.47Å; E173-L177 WeakPolarHBondContact O-CG 3.41Å; E173-L177 PolarHBondContact O-N 2.91Å
174E91Very high91.3Very high140 Ų14069 Ų6965%0.65434%0.34SS*.Hα-helixtrans-61.5-41.3174.8-63.6174.3178.400113R172 A178R172-E174 IonicContact NH1-OE2 2.93Å; R172-E174 PolarHBondContact O-N 2.94Å; R172-E174 VanDerWaalsContact O-N 3.09Å; E174-A178 WeakPolarHBondContact O-CB 3.45Å; E174-A178 PolarHBondContact O-N 3.25Å
175E89.7Confident91.3Very high56 Ų5670.6 Ų70.626%0.26235%0.348SS..Hα-helixtrans-69.1-41.7179.6-67.2165.7155.900110.5R172 E173 A178 I179R172-E175 HydrophobicContact CB-CG 4.27Å; R172-E175 WeakPolarHBondContact CB-OE2 3.3Å; R172-E175 IonicContact CZ-OE1 3.12Å; R172-E175 PolarHBondContact N-OE2 2.98Å; R172-E175 IonicContact NE-OE1 3.94Å; R172-E175 PolarHBondContact NE-OE1 2.99Å; R172-E175 VanDerWaalsContact NE-OE1 3.12Å; R172-E175 IonicContact NE-OE2 2.71Å; R172-E175 IonicContact NH2-OE1 3.73Å; R172-E175 PolarHBondContact NH2-OE1 3.37Å; R172-E175 WeakPolarHBondContact O-CB 3.34Å; R172-E175 PolarHBondContact O-N 3.39Å; E173-E175 PolarHBondContact O-N 2.96Å; E175-A178 WeakPolarHBondContact O-CB 3.27Å; E175-A178 PolarHBondContact O-N 3.21Å; E175-I179 PolarHBondContact O-N 3.39Å
176V92.6Very high91.4Very high1 Ų172 Ų721%0.00635%0.353CS..Hα-helixtrans-61.6-51.4175.7174.20000111.3P171 R172 E173 A178 I179 R180 L195 I197 L334P171-V176 HydrophobicContact CB-CG2 4.08Å; P171-V176 HydrophobicContact CG-CG2 3.77Å; R172-V176 PolarHBondContact O-N 3.48Å; E173-V176 PolarHBondContact O-N 3.39Å; V176-A178 PolarHBondContact O-N 3.13Å; V176-I179 PolarHBondContact O-N 3.07Å; V176-R180 HydrophobicContact CG1-CG 4.38Å; V176-R180 WeakPolarHBondContact O-CG 3.5Å; V176-R180 PolarHBondContact O-N 3.44Å; V176-L195 HydrophobicContact CG1-CD2 4.26Å; V176-I197 HydrophobicContact CB-CD1 4.46Å; V176-I197 HydrophobicContact CG2-CD1 3.84Å; V176-L334 HydrophobicContact CB-CD1 4.05Å; V176-L334 HydrophobicContact CB-CD2 4.35Å; V176-L334 HydrophobicContact CG1-CD1 3.35Å; V176-L334 HydrophobicContact CG1-CD2 3.69Å; V176-L334 HydrophobicContact CG1-CG 4.05Å; V176-L334 HydrophobicContact CG2-CD1 3.5Å; V176-L334 VanDerWaalsContact CG2-CD1 3.5Å; V176-L334 HydrophobicContact CG2-CD2 4.08Å; V176-L334 HydrophobicContact CG2-CG 4.32Å
177L93.6Very high91.2Very high109 Ų10974.9 Ų74.957%0.57138%0.375SS*.Hα-helixtrans-63-33.7-179.8-72.8171.3000111.5E173 K181E173-L177 WeakPolarHBondContact O-CB 3.47Å; E173-L177 WeakPolarHBondContact O-CG 3.41Å; E173-L177 PolarHBondContact O-N 2.91Å; L177-K181 VanDerWaalsContact O-CB 3.26Å; L177-K181 WeakPolarHBondContact O-CB 3.4Å; L177-K181 PolarHBondContact O-N 2.86Å
178A94Very high91Very high29 Ų2973.2 Ų73.224%0.2437%0.368CS..Hα-helixtrans-61.5-50.217500000111.2E174 E175 V176 K181 H182 L237E174-A178 WeakPolarHBondContact O-CB 3.45Å; E174-A178 PolarHBondContact O-N 3.25Å; E175-A178 WeakPolarHBondContact O-CB 3.27Å; E175-A178 PolarHBondContact O-N 3.21Å; V176-A178 PolarHBondContact O-N 3.13Å; A178-K181 PolarHBondContact O-N 3.28Å; A178-H182 PolarHBondContact O-N 2.88Å; A178-H182 PolarHBondContact O-ND1 2.88Å; A178-L237 HydrophobicContact CB-CD1 3.9Å; A178-L237 HydrophobicContact CB-CD2 3.9Å
179I94.5Very high91.3Very high2 Ų272.2 Ų72.21%0.0135%0.354CS..Hα-helixtrans-63.1-48.8178.2-62.1178.5000110.6E175 V176 K181 H182 L183 L195 I197 A207 L237 V239E175-I179 PolarHBondContact O-N 3.39Å; V176-I179 PolarHBondContact O-N 3.07Å; I179-K181 VanDerWaalsContact C-N 3.28Å; I179-K181 PolarHBondContact O-N 3.36Å; I179-H182 PolarHBondContact O-N 2.92Å; I179-L183 HydrophobicContact CG2-CD1 4.12Å; I179-L183 HydrophobicContact CG2-CG 4.3Å; I179-L183 WeakPolarHBondContact O-CG 3.35Å; I179-L183 PolarHBondContact O-N 3.34Å; I179-L195 HydrophobicContact CB-CD2 4.24Å; I179-L195 HydrophobicContact CD1-CD1 4.32Å; I179-L195 HydrophobicContact CG2-CD1 3.93Å; I179-L195 HydrophobicContact CG2-CD2 4.12Å; I179-I197 HydrophobicContact CD1-CD1 3.59Å; I179-I197 HydrophobicContact CD1-CG1 3.93Å; I179-A207 HydrophobicContact CD1-CB 3.88Å; I179-L237 HydrophobicContact CG1-CD1 3.85Å; I179-V239 HydrophobicContact CD1-CG1 4.19Å
180R94.7Very high91.6Very high64 Ų6472.1 Ų72.124%0.24235%0.35CS..Hα-helixtrans-54.5-43.8178.5-71.4-176.9179.6-98.30.7112.4V176 H182 L183 D184 Y192 L195 L334V176-R180 HydrophobicContact CG1-CG 4.38Å; V176-R180 WeakPolarHBondContact O-CG 3.5Å; V176-R180 PolarHBondContact O-N 3.44Å; R180-H182 VanDerWaalsContact C-N 3.3Å; R180-H182 PolarHBondContact O-N 3.26Å; R180-L183 PolarHBondContact O-N 2.82Å; R180-D184 WeakPolarHBondContact O-CB 3.25Å; R180-D184 PolarHBondContact O-N 2.85Å; R180-Y192 HydrophobicContact CG-CE2 3.98Å; R180-L195 HydrophobicContact CG-CD2 4.09Å; R180-L334 VanDerWaalsContact NH2-CB 3.27Å; R180-L334 PolarHBondContact NH2-O 3.24Å
181K94.3Very high92Very high140 Ų14067 Ų6761%0.60934%0.336SS*.Hα-helixtrans-62.6-34.3177.4-175.1-176.8176.7-169.80113L177 A178 I179 N185L177-K181 VanDerWaalsContact O-CB 3.26Å; L177-K181 WeakPolarHBondContact O-CB 3.4Å; L177-K181 PolarHBondContact O-N 2.86Å; A178-K181 PolarHBondContact O-N 3.28Å; I179-K181 VanDerWaalsContact C-N 3.28Å; I179-K181 PolarHBondContact O-N 3.36Å; K181-N185 VanDerWaalsContact O-CG 3.27Å; K181-N185 PolarHBondContact O-ND2 2.92Å; K181-N185 VanDerWaalsContact O-ND2 3.12Å
182H94Very high92.3Very high30 Ų3068.5 Ų68.514%0.13934%0.34CS..Hα-helixtrans-71.1-44.5175.6-70.870.7000110.1A178 I179 R180 D184 N185 Y186 D232 V233 N236A178-H182 PolarHBondContact O-N 2.88Å; A178-H182 PolarHBondContact O-ND1 2.88Å; I179-H182 PolarHBondContact O-N 2.92Å; R180-H182 VanDerWaalsContact C-N 3.3Å; R180-H182 PolarHBondContact O-N 3.26Å; H182-D184 VanDerWaalsContact C-N 3.34Å; H182-D184 PolarHBondContact O-N 3.42Å; H182-N185 WeakPolarHBondContact O-CB 3.39Å; H182-N185 PolarHBondContact O-N 2.86Å; H182-N185 VanDerWaalsContact O-N 3.08Å; H182-Y186 VanDerWaalsContact O-CD2 3.23Å; H182-Y186 WeakPolarHBondContact O-CD2 3.45Å; H182-D232 IonicContact CD2-OD2 2.8Å; H182-D232 PolarHBondContact CD2-OD2 3.46Å; H182-D232 VanDerWaalsContact CD2-OD2 3.31Å; H182-V233 HydrophobicContact CB-CG2 3.94Å; H182-N236 WeakPolarHBondContact NE2-CB 3.5Å
183L95.1Very high92.4Very high0 Ų063 Ų630%032%0.32CS..Hα-helixtrans-58.5-43.4175-61.1178.5000112.1I179 R180 N185 Y186 I189 Y192 V209 I211 I229I179-L183 HydrophobicContact CG2-CD1 4.12Å; I179-L183 HydrophobicContact CG2-CG 4.3Å; I179-L183 WeakPolarHBondContact O-CG 3.35Å; I179-L183 PolarHBondContact O-N 3.34Å; R180-L183 PolarHBondContact O-N 2.82Å; L183-N185 PolarHBondContact O-N 3.39Å; L183-N185 VanDerWaalsContact O-N 3.11Å; L183-Y186 PolarHBondContact O-N 3.24Å; L183-Y186 VanDerWaalsContact O-N 3.08Å; L183-I189 HydrophobicContact CB-CD1 4.31Å; L183-I189 WeakPolarHBondContact O-CD1 3.44Å; L183-Y192 HydrophobicContact CB-CD1 3.82Å; L183-Y192 HydrophobicContact CB-CE1 3.64Å; L183-Y192 HydrophobicContact CB-CG 4.46Å; L183-Y192 HydrophobicContact CD1-CD1 4.03Å; L183-Y192 HydrophobicContact CD1-CD2 3.82Å; L183-Y192 HydrophobicContact CD1-CE1 4.28Å; L183-Y192 HydrophobicContact CD1-CE2 4.09Å; L183-Y192 HydrophobicContact CD1-CG 3.8Å; L183-V209 HydrophobicContact CD1-CG2 4.01Å; L183-I211 HydrophobicContact CD1-CD1 4.26Å; L183-I211 HydrophobicContact CD2-CD1 3.87Å; L183-I229 HydrophobicContact CD2-CG2 3.48Å; L183-I229 VanDerWaalsContact CD2-CG2 3.48Å
184D94.3Very high92.3Very high108 Ų10860.3 Ų60.358%0.57831%0.309SS*.THydrogen-bonded Turntrans-62.1-18177.9-66.8-18.5000113.6R180 H182 Y186 Y192R180-D184 WeakPolarHBondContact O-CB 3.25Å; R180-D184 PolarHBondContact O-N 2.85Å; H182-D184 VanDerWaalsContact C-N 3.34Å; H182-D184 PolarHBondContact O-N 3.42Å; D184-Y186 VanDerWaalsContact C-N 3.28Å; D184-Y192 VanDerWaalsContact OD1-CE1 3.27Å; D184-Y192 WeakPolarHBondContact OD1-CE1 3.39Å; D184-Y192 PolarHBondContact OD1-OH 3.33Å
185N93.2Very high92.3Very high106 Ų10653.9 Ų53.957%0.56728%0.279SS*.THydrogen-bonded Turntrans-80.1-7.3176.9-66.4-35.2000113.5K181 H182 L183 P187K181-N185 VanDerWaalsContact O-CG 3.27Å; K181-N185 PolarHBondContact O-ND2 2.92Å; K181-N185 VanDerWaalsContact O-ND2 3.12Å; H182-N185 WeakPolarHBondContact O-CB 3.39Å; H182-N185 PolarHBondContact O-N 2.86Å; H182-N185 VanDerWaalsContact O-N 3.08Å; L183-N185 PolarHBondContact O-N 3.39Å; L183-N185 VanDerWaalsContact O-N 3.11Å; N185-P187 WeakPolarHBondContact O-CD 3.43Å
186Y93.1Very high92.4Very high49 Ų4954.1 Ų54.119%0.19228%0.282CS..  trans-97.798.1177.8-71.2-98.8000109.2H182 L183 D184 D188 I189 A228 I229 D232H182-Y186 VanDerWaalsContact O-CD2 3.23Å; H182-Y186 WeakPolarHBondContact O-CD2 3.45Å; L183-Y186 PolarHBondContact O-N 3.24Å; L183-Y186 VanDerWaalsContact O-N 3.08Å; D184-Y186 VanDerWaalsContact C-N 3.28Å; Y186-D188 PolarHBondContact O-N 3.38Å; Y186-I189 VanDerWaalsContact O-CG1 3.24Å; Y186-I189 WeakPolarHBondContact O-CG1 3.23Å; Y186-I189 PolarHBondContact O-N 2.98Å; Y186-A228 HydrophobicContact CE1-CB 4.32Å; Y186-A228 PolarHBondContact OH-O 3.48Å; Y186-I229 HydrophobicContact CD1-CD1 4.14Å; Y186-I229 HydrophobicContact CD1-CG1 3.58Å; Y186-I229 HydrophobicContact CD2-CD1 4.44Å; Y186-I229 HydrophobicContact CD2-CG1 3.78Å; Y186-I229 HydrophobicContact CE1-CG1 3.53Å; Y186-I229 HydrophobicContact CE2-CB 4.49Å; Y186-I229 HydrophobicContact CE2-CG1 3.78Å; Y186-I229 HydrophobicContact CG-CD1 4.08Å; Y186-I229 HydrophobicContact CG-CG1 3.7Å; Y186-D232 WeakPolarHBondContact OH-CB 3.43Å
187P88.4Confident92.4Very high117 Ų11755 Ų5576%0.7629%0.286SS*.THydrogen-bonded Turntrans-69.3-15.4-176.329.6-37000113.6N185N185-P187 WeakPolarHBondContact O-CD 3.43Å
188D87.9Confident92.3Very high98 Ų9853.1 Ų53.152%0.52427%0.274SS..THydrogen-bonded Turntrans-82.4-19.8-176-61.1-40.6000112.7Y186 W217Y186-D188 PolarHBondContact O-N 3.38Å; D188-W217 HydrophobicContact CB-CH2 3.71Å; D188-W217 HydrophobicContact CB-CZ2 3.87Å; D188-W217 WeakPolarHBondContact O-CH2 3.21Å; D188-W217 VanDerWaalsContact O-CZ2 3.32Å; D188-W217 WeakPolarHBondContact O-CZ2 3.45Å
189I93.7Very high92Very high19 Ų1952.8 Ų52.810%0.09727%0.271CS..  trans-79.5140.5172.267.4166.4000109.6L183 Y186 Y192 I211 V225 I229L183-I189 HydrophobicContact CB-CD1 4.31Å; L183-I189 WeakPolarHBondContact O-CD1 3.44Å; Y186-I189 VanDerWaalsContact O-CG1 3.24Å; Y186-I189 WeakPolarHBondContact O-CG1 3.23Å; Y186-I189 PolarHBondContact O-N 2.98Å; I189-Y192 HydrophobicContact CD1-CD1 3.92Å; I189-I211 HydrophobicContact CB-CG2 3.93Å; I189-I211 HydrophobicContact CD1-CG2 4.32Å; I189-I211 HydrophobicContact CG2-CG2 3.51Å; I189-V225 HydrophobicContact CG2-CG1 4.27Å; I189-I229 HydrophobicContact CG2-CD1 3.9Å
190I92.7Very high91.9Very high68 Ų6855.3 Ų55.335%0.34928%0.28SS..  trans-79.6-35.4-178.6-64.8160.4000110.3E212 V213 N214 Y248 I250I190-E212 HydrophobicContact CB-CB 4.19Å; I190-E212 PolarHBondContact N-O 3.33Å; I190-V213 VanDerWaalsContact CD1-C 3.42Å; I190-N214 HydrophobicContact CD1-CB 4.18Å; I190-N214 VanDerWaalsContact CD1-N 3.34Å; I190-Y248 HydrophobicContact CD1-CD1 4Å; I190-Y248 HydrophobicContact CD1-CG 4.06Å; I190-Y248 HydrophobicContact CG2-CD1 4.02Å; I190-Y248 HydrophobicContact CG2-CD2 4.45Å; I190-Y248 HydrophobicContact CG2-CE1 4.2Å; I190-Y248 HydrophobicContact CG2-CG 4.12Å; I190-I250 HydrophobicContact CD1-CD1 3.53Å; I190-I250 HydrophobicContact CD1-CG1 3.78Å; I190-I250 HydrophobicContact CG1-CD1 4.09Å
191G92.1Very high91.6Very high17 Ų1752.3 Ų52.318%0.17527%0.269CS..EExtended strand (participates in β ladder)trans-178.8-177.8-174.600000111.4E212G191-E212 WeakPolarHBondContact CA-OE2 3.5Å; G191-E212 PolarHBondContact O-N 3.05Å
192Y92.8Very high91.1Very high49 Ų4947 Ų4719%0.19225%0.249CC..EExtended strand (participates in β ladder)trans-156149.6174.754.6-95.3000110.4R180 L183 D184 I189 H210R180-Y192 HydrophobicContact CG-CE2 3.98Å; L183-Y192 HydrophobicContact CB-CD1 3.82Å; L183-Y192 HydrophobicContact CB-CE1 3.64Å; L183-Y192 HydrophobicContact CB-CG 4.46Å; L183-Y192 HydrophobicContact CD1-CD1 4.03Å; L183-Y192 HydrophobicContact CD1-CD2 3.82Å; L183-Y192 HydrophobicContact CD1-CE1 4.28Å; L183-Y192 HydrophobicContact CD1-CE2 4.09Å; L183-Y192 HydrophobicContact CD1-CG 3.8Å; D184-Y192 VanDerWaalsContact OD1-CE1 3.27Å; D184-Y192 WeakPolarHBondContact OD1-CE1 3.39Å; D184-Y192 PolarHBondContact OD1-OH 3.33Å; I189-Y192 HydrophobicContact CD1-CD1 3.92Å; Y192-H210 CarbonylContact C-O 3.16Å; Y192-H210 WeakPolarHBondContact CA-O 3.37Å; Y192-H210 VanDerWaalsContact CB-O 3.23Å; Y192-H210 WeakPolarHBondContact CB-O 3.16Å
193H89.4Confident90.7Very high27 Ų2751 Ų5113%0.12527%0.271CS..EExtended strand (participates in β ladder)trans-142.8178.7175.553.385.9000111.1L195 V209 H210 E212 D246 H276H193-L195 VanDerWaalsContact C-N 3.3Å; H193-L195 PolarHBondContact O-N 3.46Å; H193-V209 WeakPolarHBondContact O-CG2 3.04Å; H193-H210 VanDerWaalsContact CE1-CB 3.4Å; H193-H210 WeakPolarHBondContact CE1-CB 3.33Å; H193-H210 AromaticContact CE1-CG 3.8Å; H193-H210 AromaticContact CE1-ND1 3.6Å; H193-H210 PolarHBondContact N-O 2.95Å; H193-H210 WeakPolarHBondContact ND1-CB 3.48Å; H193-H210 AromaticContact ND1-CG 3.89Å; H193-H210 PolarHBondContact O-N 3.47Å; H193-E212 IonicContact CD2-OE1 3.62Å; H193-E212 IonicContact NE2-OE1 3.52Å; H193-D246 IonicContact CE1-OD2 3.84Å; H193-D246 PolarHBondContact CE1-OD2 3.13Å; H193-D246 IonicContact NE2-OD2 2.59Å; H193-D246 PolarHBondContact NE2-OD2 3.47Å; H193-H276 AromaticContact CE1-CG 3.66Å; H193-H276 AromaticContact CE1-ND1 3.45Å; H193-H276 PolarHBondContact CE1-ND1 2.88Å; H193-H276 AromaticContact CG-CG 3.96Å; H193-H276 AromaticContact ND1-CE1 3.93Å; H193-H276 AromaticContact ND1-CG 3.71Å; H193-H276 AromaticContact ND1-ND1 3.65Å; H193-H276 AromaticContact NE2-CG 3.85Å
194D87.4Confident90.3Very high38 Ų3851.8 Ų51.820%0.20328%0.277CS..EExtended strand (participates in β ladder)trans52.542.4174.6-52.5-23.4000114.8L196 H210 H276D194-L196 PolarHBondContact O-N 2.97Å; D194-H210 HydrophobicContact CB-CB 4.48Å; D194-H276 IonicContact OD1-NE2 2.59Å; D194-H276 IonicContact OD2-CE1 3.73Å; D194-H276 PolarHBondContact OD2-CE1 3.4Å; D194-H276 IonicContact OD2-NE2 2.69Å
195L91.6Very high90.2Very high4 Ų447.9 Ų47.92%0.02126%0.257CS..EExtended strand (participates in β ladder)trans-70.1103.6173.8177.961.6000110V176 I179 R180 H193 I197 A207 S208 V209V176-L195 HydrophobicContact CG1-CD2 4.26Å; I179-L195 HydrophobicContact CB-CD2 4.24Å; I179-L195 HydrophobicContact CD1-CD1 4.32Å; I179-L195 HydrophobicContact CG2-CD1 3.93Å; I179-L195 HydrophobicContact CG2-CD2 4.12Å; R180-L195 HydrophobicContact CG-CD2 4.09Å; H193-L195 VanDerWaalsContact C-N 3.3Å; H193-L195 PolarHBondContact O-N 3.46Å; L195-I197 HydrophobicContact CD1-CG1 4.18Å; L195-I197 HydrophobicContact CD2-CD1 4.42Å; L195-I197 HydrophobicContact CG-CD1 4.45Å; L195-I197 HydrophobicContact CG-CG1 4.21Å; L195-A207 HydrophobicContact CD1-CB 4.42Å; L195-S208 CarbonylContact C-O 3.54Å; L195-S208 WeakPolarHBondContact CA-O 3.34Å; L195-V209 HydrophobicContact CB-CG2 4.19Å; L195-V209 HydrophobicContact CD1-CB 3.99Å; L195-V209 HydrophobicContact CD1-CG2 4.27Å
196L91.3Very high90.2Very high62 Ų6244.4 Ų44.433%0.32524%0.237SC..EExtended strand (participates in β ladder)trans-103.5132.1173.3-56.7174.7000108.8D194 A207 S208 T331 L333D194-L196 PolarHBondContact O-N 2.97Å; L196-A207 CarbonylContact O-C 3.55Å; L196-A207 WeakPolarHBondContact O-CA 3.23Å; L196-A207 WeakPolarHBondContact O-CB 3.38Å; L196-S208 PolarHBondContact N-O 3.32Å; L196-S208 PolarHBondContact O-N 3.06Å; L196-T331 HydrophobicContact CD2-CG2 4.04Å; L196-L333 HydrophobicContact CD2-CB 4.16Å; L196-L333 HydrophobicContact CD2-CD1 3.49Å; L196-L333 VanDerWaalsContact CD2-CD1 3.49Å; L196-L333 HydrophobicContact CD2-CG 4.44Å
197I92.7Very high90.3Very high19 Ų1942.2 Ų42.210%0.09723%0.229CC..EExtended strand (participates in β ladder)trans-127130.8175.3-50.1173000107.5P171 V176 I179 L195 V205 F206 A207P171-I197 HydrophobicContact CB-CB 3.89Å; P171-I197 HydrophobicContact CB-CD1 4.04Å; P171-I197 HydrophobicContact CB-CG2 4.09Å; P171-I197 HydrophobicContact CG-CB 3.91Å; P171-I197 HydrophobicContact CG-CD1 4.16Å; P171-I197 HydrophobicContact CG-CG1 4.39Å; V176-I197 HydrophobicContact CB-CD1 4.46Å; V176-I197 HydrophobicContact CG2-CD1 3.84Å; I179-I197 HydrophobicContact CD1-CD1 3.59Å; I179-I197 HydrophobicContact CD1-CG1 3.93Å; L195-I197 HydrophobicContact CD1-CG1 4.18Å; L195-I197 HydrophobicContact CD2-CD1 4.42Å; L195-I197 HydrophobicContact CG-CD1 4.45Å; L195-I197 HydrophobicContact CG-CG1 4.21Å; I197-V205 HydrophobicContact CG2-CG1 3.64Å; I197-F206 WeakPolarHBondContact CA-O 3.45Å; I197-A207 HydrophobicContact CG1-CB 4.1Å
198H90.8Very high90.7Very high69 Ų6938.4 Ų38.432%0.31921%0.205SC..EExtended strand (participates in β ladder)trans-142.4149.7177.857.575.5000111.3Y200 F206H198-Y200 AromaticContact CE1-CE2 3.49Å; H198-Y200 VanDerWaalsContact CE1-CE2 3.49Å; H198-Y200 WeakPolarHBondContact CE1-CE2 3.37Å; H198-Y200 AromaticContact ND1-CD2 3.78Å; H198-Y200 AromaticContact ND1-CE2 3.3Å; H198-Y200 VanDerWaalsContact ND1-CE2 3.3Å; H198-Y200 WeakPolarHBondContact ND1-CE2 3.45Å; H198-F206 WeakPolarHBondContact CE1-CB 3.42Å; H198-F206 PolarHBondContact N-O 2.83Å; H198-F206 PolarHBondContact O-N 3.22Å
199S89.3Confident91Very high23 Ų2333.8 Ų33.816%0.16118%0.18CC..EExtended strand (participates in β ladder)trans-109.3144.5179.266.70000112.6R38 S204R38-S199 PolarHBondContact NE-O 2.88Å; R38-S199 PolarHBondContact NH2-O 2.99Å; S199-S204 CarbonylContact C-O 3.46Å; S199-S204 WeakPolarHBondContact CA-O 3.46Å
200Y90.8Very high91Very high55 Ų5535.1 Ų35.122%0.21619%0.186CC..SBendtrans-111.625.6169.4-75-87.1000112Y34 E37 R38 H198 S204 F206Y34-Y200 AromaticContact CD1-CD2 3.97Å; Y34-Y200 HydrophobicContact CD1-CD2 3.97Å; Y34-Y200 AromaticContact CD1-CE2 3.8Å; Y34-Y200 HydrophobicContact CD1-CE2 3.8Å; Y34-Y200 HydrophobicContact CD2-CD1 4.49Å; Y34-Y200 AromaticContact CD2-CE1 3.98Å; Y34-Y200 HydrophobicContact CD2-CE1 3.98Å; Y34-Y200 HydrophobicContact CD2-CE2 4.08Å; Y34-Y200 AromaticContact CD2-CZ 3.75Å; Y34-Y200 HydrophobicContact CE1-CE2 4.13Å; Y34-Y200 HydrophobicContact CE2-CE2 4.38Å; Y34-Y200 HydrophobicContact CG-CD1 4.22Å; Y34-Y200 AromaticContact CG-CD2 3.94Å; Y34-Y200 HydrophobicContact CG-CD2 3.94Å; Y34-Y200 HydrophobicContact CG-CE1 4.12Å; Y34-Y200 AromaticContact CG-CE2 3.78Å; Y34-Y200 HydrophobicContact CG-CE2 3.78Å; Y34-Y200 HydrophobicContact CG-CG 4.15Å; Y34-Y200 AromaticContact CG-CZ 3.9Å; E37-Y200 CarbonylContact C-O 3.45Å; E37-Y200 WeakPolarHBondContact CB-O 3.33Å; R38-Y200 HydrophobicContact CG-CD1 4.4Å; R38-Y200 WeakPolarHBondContact CG-O 3.42Å; R38-Y200 PolarHBondContact N-O 2.87Å; H198-Y200 AromaticContact CE1-CE2 3.49Å; H198-Y200 VanDerWaalsContact CE1-CE2 3.49Å; H198-Y200 WeakPolarHBondContact CE1-CE2 3.37Å; H198-Y200 AromaticContact ND1-CD2 3.78Å; H198-Y200 AromaticContact ND1-CE2 3.3Å; H198-Y200 VanDerWaalsContact ND1-CE2 3.3Å; H198-Y200 WeakPolarHBondContact ND1-CE2 3.45Å; Y200-S204 PolarHBondContact N-O 3.02Å; Y200-F206 AromaticContact CD2-CD2 3.59Å; Y200-F206 HydrophobicContact CD2-CD2 3.59Å; Y200-F206 AromaticContact CD2-CE2 3.88Å; Y200-F206 HydrophobicContact CD2-CE2 3.88Å; Y200-F206 HydrophobicContact CD2-CG 4.36Å; Y200-F206 HydrophobicContact CE2-CD2 4.33Å; Y200-F206 HydrophobicContact CG-CE2 4.47Å
201G89.2Confident91.1Very high0 Ų031.9 Ų31.90%017%0.17CC..SBendtrans140.3176.7-178.700000110.7N203 S204G201-N203 PolarHBondContact O-N 3.16Å; G201-S204 PolarHBondContact O-N 3.32Å
202P83.9Confident91.2Very high28 Ų2832.5 Ų32.518%0.18217%0.168CC..SBendtrans-61-27.7-173.3-2636.1000115.1Y41Y41-P202 HydrophobicContact CE1-CG 4Å
203N85.2Confident91.3Very high114 Ų11430.3 Ų30.361%0.6116%0.159SC*.SBendtrans-118.5-0.5-178.5-50.3-72.1000113.5E37 G201E37-N203 WeakPolarHBondContact OE2-CA 3.41Å; E37-N203 WeakPolarHBondContact OE2-CB 3.17Å; E37-N203 PolarHBondContact OE2-N 3.25Å; G201-N203 PolarHBondContact O-N 3.16Å
204S87.6Confident91.5Very high17 Ų1730.6 Ų30.612%0.11916%0.162CC..  trans-104.280-179-82.90000109.8E37 S199 Y200 G201E37-S204 PolarHBondContact OE1-OG 3.48Å; E37-S204 PolarHBondContact OE2-N 2.92Å; S199-S204 CarbonylContact C-O 3.46Å; S199-S204 WeakPolarHBondContact CA-O 3.46Å; Y200-S204 PolarHBondContact N-O 3.02Å; G201-S204 PolarHBondContact O-N 3.32Å
205V91.9Very high91.7Very high26 Ų2632.4 Ų32.416%0.15817%0.169CC..EExtended strand (participates in β ladder)trans-102.4128.6179.2-175.60000109.8I197 V239 D240I197-V205 HydrophobicContact CG2-CG1 3.64Å; V205-V239 HydrophobicContact CB-CG2 4.19Å; V205-V239 HydrophobicContact CG1-CG1 4.23Å; V205-V239 HydrophobicContact CG1-CG2 3.95Å; V205-V239 WeakPolarHBondContact O-CA 3.44Å; V205-D240 PolarHBondContact O-N 3.45Å
206F93.5Very high91.7Very high33 Ų3337.3 Ų37.315%0.14520%0.195CC..EExtended strand (participates in β ladder)trans-121.1146.6179.4-67.8-98.8000108.7Y34 I197 H198 Y200 D240Y34-F206 HydrophobicContact CD1-CD1 4.01Å; Y34-F206 HydrophobicContact CD1-CD2 4.3Å; Y34-F206 AromaticContact CD1-CE1 3.61Å; Y34-F206 HydrophobicContact CD1-CE1 3.61Å; Y34-F206 AromaticContact CD1-CE2 3.91Å; Y34-F206 HydrophobicContact CD1-CE2 3.91Å; Y34-F206 HydrophobicContact CD1-CG 4.35Å; Y34-F206 AromaticContact CD1-CZ 3.57Å; Y34-F206 HydrophobicContact CD1-CZ 3.57Å; Y34-F206 AromaticContact CE1-CD1 3.99Å; Y34-F206 HydrophobicContact CE1-CD1 3.99Å; Y34-F206 AromaticContact CE1-CE1 3.93Å; Y34-F206 HydrophobicContact CE1-CE1 3.93Å; Y34-F206 HydrophobicContact CE1-CG 4.48Å; Y34-F206 HydrophobicContact CE1-CZ 4.35Å; I197-F206 WeakPolarHBondContact CA-O 3.45Å; H198-F206 WeakPolarHBondContact CE1-CB 3.42Å; H198-F206 PolarHBondContact N-O 2.83Å; H198-F206 PolarHBondContact O-N 3.22Å; Y200-F206 AromaticContact CD2-CD2 3.59Å; Y200-F206 HydrophobicContact CD2-CD2 3.59Å; Y200-F206 AromaticContact CD2-CE2 3.88Å; Y200-F206 HydrophobicContact CD2-CE2 3.88Å; Y200-F206 HydrophobicContact CD2-CG 4.36Å; Y200-F206 HydrophobicContact CE2-CD2 4.33Å; Y200-F206 HydrophobicContact CG-CE2 4.47Å; F206-D240 CarbonylContact C-O 3.59Å; F206-D240 WeakPolarHBondContact CA-O 3.44Å; F206-D240 HydrophobicContact CD1-CB 3.48Å; F206-D240 VanDerWaalsContact CD1-CB 3.48Å; F206-D240 HydrophobicContact CE1-CB 3.64Å; F206-D240 HydrophobicContact CG-CB 4.2Å; F206-D240 HydrophobicContact CZ-CB 4.48Å
207A95.1Very high91.8Very high3 Ų337.1 Ų37.13%0.02519%0.19CC..EExtended strand (participates in β ladder)trans-138.2150.8175.600000110.8I179 L195 L196 I197 V239 D240 L241 V242I179-A207 HydrophobicContact CD1-CB 3.88Å; L195-A207 HydrophobicContact CD1-CB 4.42Å; L196-A207 CarbonylContact O-C 3.55Å; L196-A207 WeakPolarHBondContact O-CA 3.23Å; L196-A207 WeakPolarHBondContact O-CB 3.38Å; I197-A207 HydrophobicContact CG1-CB 4.1Å; A207-V239 HydrophobicContact CB-CG1 3.68Å; A207-D240 PolarHBondContact N-O 2.93Å; A207-L241 HydrophobicContact CB-CD1 3.64Å; A207-L241 CarbonylContact O-C 3.51Å; A207-L241 WeakPolarHBondContact O-CA 3.29Å; A207-V242 PolarHBondContact O-N 2.93Å
208S95.5Very high91.9Very high38 Ų3839.4 Ų39.427%0.26621%0.208SC..EExtended strand (participates in β ladder)trans-126.4143.8166.3640000109.6L195 L196 V242L195-S208 CarbonylContact C-O 3.54Å; L195-S208 WeakPolarHBondContact CA-O 3.34Å; L196-S208 PolarHBondContact N-O 3.32Å; L196-S208 PolarHBondContact O-N 3.06Å; S208-V242 VanDerWaalsContact CA-O 3.23Å; S208-V242 WeakPolarHBondContact CA-O 3.28Å
209V94.9Very high92.1Very high1 Ų142.4 Ų42.41%0.00623%0.226CC..EExtended strand (participates in β ladder)trans-146.5147.2178.966.50000109.7L183 H193 L195 I211 L241 V242 C243 H244L183-V209 HydrophobicContact CD1-CG2 4.01Å; H193-V209 WeakPolarHBondContact O-CG2 3.04Å; L195-V209 HydrophobicContact CB-CG2 4.19Å; L195-V209 HydrophobicContact CD1-CB 3.99Å; L195-V209 HydrophobicContact CD1-CG2 4.27Å; V209-I211 HydrophobicContact CB-CD1 4.43Å; V209-I211 HydrophobicContact CG1-CD1 3.6Å; V209-I211 HydrophobicContact CG1-CG1 3.98Å; V209-I211 HydrophobicContact CG2-CD1 3.98Å; V209-L241 HydrophobicContact CB-CD1 4.34Å; V209-L241 HydrophobicContact CG1-CD1 3.77Å; V209-L241 HydrophobicContact CG1-CD2 4.27Å; V209-L241 HydrophobicContact CG1-CG 4.29Å; V209-V242 PolarHBondContact N-O 3.41Å; V209-V242 VanDerWaalsContact N-O 3.08Å; V209-C243 HydrophobicContact CG1-CB 4.44Å; V209-C243 CarbonylContact O-C 3.55Å; V209-C243 WeakPolarHBondContact O-CA 3.27Å; V209-H244 PolarHBondContact O-N 3.09Å
210H94.1Very high92.5Very high47 Ų4745.3 Ų45.322%0.21824%0.244CC..EExtended strand (participates in β ladder)trans-93.6124.2170.6-77.1-133000108.9Y192 H193 D194 H244 D246Y192-H210 CarbonylContact C-O 3.16Å; Y192-H210 WeakPolarHBondContact CA-O 3.37Å; Y192-H210 VanDerWaalsContact CB-O 3.23Å; Y192-H210 WeakPolarHBondContact CB-O 3.16Å; H193-H210 VanDerWaalsContact CE1-CB 3.4Å; H193-H210 WeakPolarHBondContact CE1-CB 3.33Å; H193-H210 AromaticContact CE1-CG 3.8Å; H193-H210 AromaticContact CE1-ND1 3.6Å; H193-H210 PolarHBondContact N-O 2.95Å; H193-H210 WeakPolarHBondContact ND1-CB 3.48Å; H193-H210 AromaticContact ND1-CG 3.89Å; H193-H210 PolarHBondContact O-N 3.47Å; D194-H210 HydrophobicContact CB-CB 4.48Å; H210-H244 AromaticContact CE1-CG 3.97Å; H210-D246 VanDerWaalsContact CB-OD2 3.27Å; H210-D246 WeakPolarHBondContact CB-OD2 3.26Å; H210-D246 IonicContact CE1-OD2 3.77Å; H210-D246 IonicContact CG-OD2 2.87Å; H210-D246 IonicContact ND1-OD1 3.39Å; H210-D246 IonicContact ND1-OD2 3.6Å; H210-D246 PolarHBondContact ND1-OD2 3.09Å
211I94.9Very high92.7Very high0 Ų046.2 Ų46.20%025%0.25CS..EExtended strand (participates in β ladder)trans-110.8118.3-177.8-56.4-59.8000109.1L183 I189 V209 V213 I226 C243 H244 D246L183-I211 HydrophobicContact CD1-CD1 4.26Å; L183-I211 HydrophobicContact CD2-CD1 3.87Å; I189-I211 HydrophobicContact CB-CG2 3.93Å; I189-I211 HydrophobicContact CD1-CG2 4.32Å; I189-I211 HydrophobicContact CG2-CG2 3.51Å; V209-I211 HydrophobicContact CB-CD1 4.43Å; V209-I211 HydrophobicContact CG1-CD1 3.6Å; V209-I211 HydrophobicContact CG1-CG1 3.98Å; V209-I211 HydrophobicContact CG2-CD1 3.98Å; I211-V213 HydrophobicContact CG2-CG1 4.1Å; I211-I226 HydrophobicContact CB-CD1 3.82Å; I211-I226 HydrophobicContact CG1-CD1 3.91Å; I211-I226 HydrophobicContact CG2-CD1 3.87Å; I211-C243 HydrophobicContact CG1-CB 3.96Å; I211-H244 PolarHBondContact N-O 3.46Å; I211-D246 PolarHBondContact O-N 2.89Å
212E93.6Very high93Very high30 Ų3046.3 Ų46.314%0.1425%0.251CS..EExtended strand (participates in β ladder)trans-80.7119.1177.3-64.1179.4147.400109.9I190 G191 H193 D246 Y248I190-E212 HydrophobicContact CB-CB 4.19Å; I190-E212 PolarHBondContact N-O 3.33Å; G191-E212 WeakPolarHBondContact CA-OE2 3.5Å; G191-E212 PolarHBondContact O-N 3.05Å; H193-E212 IonicContact CD2-OE1 3.62Å; H193-E212 IonicContact NE2-OE1 3.52Å; E212-D246 WeakPolarHBondContact CA-O 3.46Å; E212-Y248 HydrophobicContact CB-CD2 4.23Å; E212-Y248 HydrophobicContact CG-CD2 4.15Å
213V94.4Very high93.5Very high2 Ų250 Ų501%0.01227%0.266CS..EExtended strand (participates in β ladder)trans-123.7159.2177.1-610000110.8I190 I211 Q215 W217 L245 D246 Y248I190-V213 VanDerWaalsContact CD1-C 3.42Å; I211-V213 HydrophobicContact CG2-CG1 4.1Å; V213-Q215 PolarHBondContact O-N 3.26Å; V213-W217 HydrophobicContact CB-CD2 4.32Å; V213-W217 HydrophobicContact CB-CE3 3.72Å; V213-W217 HydrophobicContact CB-CZ3 3.83Å; V213-W217 HydrophobicContact CG1-CE3 4.01Å; V213-W217 HydrophobicContact CG1-CH2 4.35Å; V213-W217 HydrophobicContact CG1-CZ3 3.65Å; V213-W217 HydrophobicContact CG2-CE3 4.3Å; V213-L245 HydrophobicContact CG2-CD1 3.97Å; V213-L245 HydrophobicContact CG2-CD2 3.93Å; V213-L245 HydrophobicContact CG2-CG 3.8Å; V213-D246 PolarHBondContact N-O 2.96Å; V213-Y248 WeakPolarHBondContact O-CB 3.31Å; V213-Y248 PolarHBondContact O-N 3.29Å
214N93.2Very high94Very high34 Ų3450.8 Ų50.818%0.18227%0.265CS..EExtended strand (participates in β ladder)trans-62.8128.1179.6-176.4-16.2000110.2I190 D216 W217 I250I190-N214 HydrophobicContact CD1-CB 4.18Å; I190-N214 VanDerWaalsContact CD1-N 3.34Å; N214-D216 PolarHBondContact O-N 3.38Å; N214-D216 PolarHBondContact OD1-N 3.06Å; N214-W217 HydrophobicContact CB-CG 4.28Å; N214-W217 VanDerWaalsContact O-CB 3.29Å; N214-W217 WeakPolarHBondContact O-CB 3.4Å; N214-W217 PolarHBondContact O-N 3.39Å; N214-I250 HydrophobicContact CB-CD1 4.21Å
215Q91.7Very high94.3Very high76 Ų7650.7 Ų50.736%0.35526%0.264SS..THydrogen-bonded Turntrans-53.7-25.7177.370.9175.7-6.800114.4V213 W217 P247 Y248 P249V213-Q215 PolarHBondContact O-N 3.26Å; Q215-W217 VanDerWaalsContact C-N 3.28Å; Q215-P247 HydrophobicContact CB-CB 4.17Å; Q215-Y248 PolarHBondContact N-O 3.18Å; Q215-Y248 VanDerWaalsContact N-O 3.12Å; Q215-P249 HydrophobicContact CG-CB 4.49Å
216D92.4Very high94.5Very high106 Ų10650 Ų5057%0.56726%0.259SS*.THydrogen-bonded Turntrans-82.5-5.7-178.7-63.2-38.6000112.8N214N214-D216 PolarHBondContact O-N 3.38Å; N214-D216 PolarHBondContact OD1-N 3.06Å
217W93.6Very high94.5Very high59 Ų5951.8 Ų51.822%0.22327%0.271CS..SBendtrans-63.3139.5173.3-77.510.8000111.1D188 V213 N214 Q215 H221 A222 V225D188-W217 HydrophobicContact CB-CH2 3.71Å; D188-W217 HydrophobicContact CB-CZ2 3.87Å; D188-W217 WeakPolarHBondContact O-CH2 3.21Å; D188-W217 VanDerWaalsContact O-CZ2 3.32Å; D188-W217 WeakPolarHBondContact O-CZ2 3.45Å; V213-W217 HydrophobicContact CB-CD2 4.32Å; V213-W217 HydrophobicContact CB-CE3 3.72Å; V213-W217 HydrophobicContact CB-CZ3 3.83Å; V213-W217 HydrophobicContact CG1-CE3 4.01Å; V213-W217 HydrophobicContact CG1-CH2 4.35Å; V213-W217 HydrophobicContact CG1-CZ3 3.65Å; V213-W217 HydrophobicContact CG2-CE3 4.3Å; N214-W217 HydrophobicContact CB-CG 4.28Å; N214-W217 VanDerWaalsContact O-CB 3.29Å; N214-W217 WeakPolarHBondContact O-CB 3.4Å; N214-W217 PolarHBondContact O-N 3.39Å; Q215-W217 VanDerWaalsContact C-N 3.28Å; W217-H221 AromaticContact CD2-CD2 3.54Å; W217-H221 AromaticContact CD2-NE2 3.87Å; W217-H221 AromaticContact CE2-CD2 3.88Å; W217-H221 AromaticContact CE2-NE2 3.74Å; W217-H221 AromaticContact CE3-CD2 3.83Å; W217-H221 AromaticContact CG-CD2 3.76Å; W217-H221 AromaticContact CZ2-NE2 3.93Å; W217-A222 HydrophobicContact CB-CB 4.36Å; W217-A222 HydrophobicContact CE3-CB 3.86Å; W217-V225 HydrophobicContact CH2-CG1 4.37Å; W217-V225 HydrophobicContact CH2-CG2 4.05Å; W217-V225 HydrophobicContact CZ3-CB 4.07Å; W217-V225 HydrophobicContact CZ3-CG1 4.23Å; W217-V225 HydrophobicContact CZ3-CG2 3.85Å
218S95.3Very high94.5Very high67 Ų6753.8 Ų53.847%0.46929%0.287SS..  trans-66.5140.2166.775.80000109.8P220 H221 A222S218-P220 VanDerWaalsContact C-CD 3.45Å; S218-P220 VanDerWaalsContact C-N 3.31Å; S218-H221 WeakPolarHBondContact O-CB 3.41Å; S218-H221 PolarHBondContact O-N 3.19Å; S218-H221 WeakPolarHBondContact OG-CB 3.42Å; S218-H221 PolarHBondContact OG-N 2.78Å; S218-A222 PolarHBondContact O-N 2.92Å
219L95.1Very high94.6Very high131 Ų13152 Ų5269%0.68627%0.274SS*.Hα-helixtrans-52.4-40.8177.8-176.964.2000113.6A222 H223L219-A222 PolarHBondContact O-N 2.86Å; L219-H223 WeakPolarHBondContact O-CB 3.48Å; L219-H223 PolarHBondContact O-N 3.35Å
220P96.4Very high94.7Very high85 Ų8554.4 Ų54.455%0.55229%0.286SS*.Hα-helixtrans-60.9-44.1174.8-25.135.8000113.5S218 A222 H223 E224S218-P220 VanDerWaalsContact C-CD 3.45Å; S218-P220 VanDerWaalsContact C-N 3.31Å; P220-A222 VanDerWaalsContact C-N 3.33Å; P220-A222 PolarHBondContact O-N 2.96Å; P220-H223 PolarHBondContact O-N 3.42Å; P220-E224 WeakPolarHBondContact O-CG 3.45Å; P220-E224 PolarHBondContact O-N 3.13Å
221H95.2Very high94.8Very high74 Ų7459.4 Ų59.434%0.34330%0.304SS..Hα-helixtrans-62.9-43.3177.5176.550.9000111.4W217 S218 H223 E224 V225W217-H221 AromaticContact CD2-CD2 3.54Å; W217-H221 AromaticContact CD2-NE2 3.87Å; W217-H221 AromaticContact CE2-CD2 3.88Å; W217-H221 AromaticContact CE2-NE2 3.74Å; W217-H221 AromaticContact CE3-CD2 3.83Å; W217-H221 AromaticContact CG-CD2 3.76Å; W217-H221 AromaticContact CZ2-NE2 3.93Å; S218-H221 WeakPolarHBondContact O-CB 3.41Å; S218-H221 PolarHBondContact O-N 3.19Å; S218-H221 WeakPolarHBondContact OG-CB 3.42Å; S218-H221 PolarHBondContact OG-N 2.78Å; H221-H223 VanDerWaalsContact C-N 3.33Å; H221-H223 PolarHBondContact O-N 2.85Å; H221-E224 PolarHBondContact O-N 2.86Å; H221-V225 PolarHBondContact O-N 3.29Å
222A95.1Very high94.8Very high2 Ų261.5 Ų61.52%0.01732%0.315CS..Hα-helixtrans-63-42.2178.800000111.3W217 S218 L219 P220 V225 I226 L245W217-A222 HydrophobicContact CB-CB 4.36Å; W217-A222 HydrophobicContact CE3-CB 3.86Å; S218-A222 PolarHBondContact O-N 2.92Å; L219-A222 PolarHBondContact O-N 2.86Å; P220-A222 VanDerWaalsContact C-N 3.33Å; P220-A222 PolarHBondContact O-N 2.96Å; A222-V225 PolarHBondContact O-N 3.34Å; A222-I226 WeakPolarHBondContact O-CG1 3.45Å; A222-I226 PolarHBondContact O-N 3.15Å; A222-I226 VanDerWaalsContact O-N 3.08Å; A222-L245 HydrophobicContact CB-CD1 3.39Å; A222-L245 HydrophobicContact CB-CD2 4.48Å
223H94.5Very high94.9Very high105 Ų10560 Ų6049%0.48631%0.308SS..Hα-helixtrans-62.4-42.2174.2-166.2-73000112.7L219 P220 H221 V225 I226 D227L219-H223 WeakPolarHBondContact O-CB 3.48Å; L219-H223 PolarHBondContact O-N 3.35Å; P220-H223 PolarHBondContact O-N 3.42Å; H221-H223 VanDerWaalsContact C-N 3.33Å; H221-H223 PolarHBondContact O-N 2.85Å; H223-V225 VanDerWaalsContact C-N 3.31Å; H223-V225 PolarHBondContact O-N 2.95Å; H223-I226 PolarHBondContact O-N 3.21Å; H223-D227 VanDerWaalsContact CE1-CG 3.44Å; H223-D227 IonicContact CE1-OD1 2.76Å; H223-D227 PolarHBondContact CE1-OD1 3.29Å; H223-D227 IonicContact CE1-OD2 2.77Å; H223-D227 PolarHBondContact CE1-OD2 3.45Å; H223-D227 VanDerWaalsContact ND1-CG 3.33Å; H223-D227 IonicContact ND1-OD1 3.31Å; H223-D227 PolarHBondContact ND1-OD1 3.16Å; H223-D227 IonicContact ND1-OD2 2.8Å; H223-D227 PolarHBondContact ND1-OD2 2.71Å; H223-D227 WeakPolarHBondContact O-CB 3.41Å; H223-D227 PolarHBondContact O-N 3.03Å
224E95Very high94.9Very high130 Ų13063.4 Ų63.461%0.60732%0.323SS*.Hα-helixtrans-60.1-39.1176.9-75.7172.6-173.500112.5P220 H221 A228P220-E224 WeakPolarHBondContact O-CG 3.45Å; P220-E224 PolarHBondContact O-N 3.13Å; H221-E224 PolarHBondContact O-N 2.86Å; E224-A228 WeakPolarHBondContact O-CB 3.43Å; E224-A228 PolarHBondContact O-N 3.49Å
225V94.6Very high95Very high16 Ų1667.5 Ų67.510%0.09734%0.341CS..Hα-helixtrans-67.9-44176.2174.60000110.8I189 W217 H221 A222 H223 A228 I229I189-V225 HydrophobicContact CG2-CG1 4.27Å; W217-V225 HydrophobicContact CH2-CG1 4.37Å; W217-V225 HydrophobicContact CH2-CG2 4.05Å; W217-V225 HydrophobicContact CZ3-CB 4.07Å; W217-V225 HydrophobicContact CZ3-CG1 4.23Å; W217-V225 HydrophobicContact CZ3-CG2 3.85Å; H221-V225 PolarHBondContact O-N 3.29Å; A222-V225 PolarHBondContact O-N 3.34Å; H223-V225 VanDerWaalsContact C-N 3.31Å; H223-V225 PolarHBondContact O-N 2.95Å; V225-A228 WeakPolarHBondContact O-CB 3.28Å; V225-A228 PolarHBondContact O-N 2.99Å; V225-I229 HydrophobicContact CG1-CD1 4.08Å; V225-I229 WeakPolarHBondContact O-CG1 3.38Å; V225-I229 PolarHBondContact O-N 2.81Å; V225-I229 VanDerWaalsContact O-N 3.07Å
226I95.5Very high95.2Very high10 Ų1068.6 Ų68.65%0.05135%0.349CS..Hα-helixtrans-62.1-48.6177.1-68.9-50.4000111.8I211 A222 H223 A228 I229 E230 C243 L245I211-I226 HydrophobicContact CB-CD1 3.82Å; I211-I226 HydrophobicContact CG1-CD1 3.91Å; I211-I226 HydrophobicContact CG2-CD1 3.87Å; A222-I226 WeakPolarHBondContact O-CG1 3.45Å; A222-I226 PolarHBondContact O-N 3.15Å; A222-I226 VanDerWaalsContact O-N 3.08Å; H223-I226 PolarHBondContact O-N 3.21Å; I226-A228 PolarHBondContact O-N 3.13Å; I226-I229 HydrophobicContact CD1-CD1 4.38Å; I226-I229 WeakPolarHBondContact O-CB 3.49Å; I226-I229 PolarHBondContact O-N 3.4Å; I226-E230 HydrophobicContact CG2-CG 4.19Å; I226-E230 WeakPolarHBondContact O-CG 3.38Å; I226-E230 PolarHBondContact O-N 3.25Å; I226-C243 HydrophobicContact CD1-CB 3.88Å; I226-C243 HydrophobicContact CG1-CB 4.43Å; I226-C243 HydrophobicContact CG2-CB 3.5Å; I226-C243 VanDerWaalsContact CG2-CB 3.5Å; I226-L245 HydrophobicContact CG1-CD1 3.91Å
227D95.2Very high95.2Very high72 Ų7266.4 Ų66.439%0.38534%0.337SS..Hα-helixtrans-56.1-39.2177.3-75.6-22.3000111.2H223 Y231H223-D227 VanDerWaalsContact CE1-CG 3.44Å; H223-D227 IonicContact CE1-OD1 2.76Å; H223-D227 PolarHBondContact CE1-OD1 3.29Å; H223-D227 IonicContact CE1-OD2 2.77Å; H223-D227 PolarHBondContact CE1-OD2 3.45Å; H223-D227 VanDerWaalsContact ND1-CG 3.33Å; H223-D227 IonicContact ND1-OD1 3.31Å; H223-D227 PolarHBondContact ND1-OD1 3.16Å; H223-D227 IonicContact ND1-OD2 2.8Å; H223-D227 PolarHBondContact ND1-OD2 2.71Å; H223-D227 WeakPolarHBondContact O-CB 3.41Å; H223-D227 PolarHBondContact O-N 3.03Å; D227-Y231 WeakPolarHBondContact O-CB 3.41Å; D227-Y231 PolarHBondContact O-N 3.4Å
228A95.3Very high95.2Very high44 Ų4465.3 Ų65.336%0.36434%0.344SS..Hα-helixtrans-66.2-39.4177.300000112.3Y186 E224 V225 I226 D232Y186-A228 HydrophobicContact CE1-CB 4.32Å; Y186-A228 PolarHBondContact OH-O 3.48Å; E224-A228 WeakPolarHBondContact O-CB 3.43Å; E224-A228 PolarHBondContact O-N 3.49Å; V225-A228 WeakPolarHBondContact O-CB 3.28Å; V225-A228 PolarHBondContact O-N 2.99Å; I226-A228 PolarHBondContact O-N 3.13Å; A228-D232 VanDerWaalsContact O-CB 3.27Å; A228-D232 WeakPolarHBondContact O-CB 3.33Å; A228-D232 PolarHBondContact O-N 3.44Å
229I96.2Very high95.1Very high0 Ų062.8 Ų62.80%033%0.326CS..Hα-helixtrans-66.5-49.4175.7-68.8167.1000110.6L183 Y186 I189 V225 I226 Y231 D232 V233 L241L183-I229 HydrophobicContact CD2-CG2 3.48Å; L183-I229 VanDerWaalsContact CD2-CG2 3.48Å; Y186-I229 HydrophobicContact CD1-CD1 4.14Å; Y186-I229 HydrophobicContact CD1-CG1 3.58Å; Y186-I229 HydrophobicContact CD2-CD1 4.44Å; Y186-I229 HydrophobicContact CD2-CG1 3.78Å; Y186-I229 HydrophobicContact CE1-CG1 3.53Å; Y186-I229 HydrophobicContact CE2-CB 4.49Å; Y186-I229 HydrophobicContact CE2-CG1 3.78Å; Y186-I229 HydrophobicContact CG-CD1 4.08Å; Y186-I229 HydrophobicContact CG-CG1 3.7Å; I189-I229 HydrophobicContact CG2-CD1 3.9Å; V225-I229 HydrophobicContact CG1-CD1 4.08Å; V225-I229 WeakPolarHBondContact O-CG1 3.38Å; V225-I229 PolarHBondContact O-N 2.81Å; V225-I229 VanDerWaalsContact O-N 3.07Å; I226-I229 HydrophobicContact CD1-CD1 4.38Å; I226-I229 WeakPolarHBondContact O-CB 3.49Å; I226-I229 PolarHBondContact O-N 3.4Å; I229-Y231 VanDerWaalsContact C-N 3.33Å; I229-Y231 PolarHBondContact O-N 3.4Å; I229-D232 PolarHBondContact O-N 3.1Å; I229-V233 WeakPolarHBondContact O-CG2 3.49Å; I229-V233 PolarHBondContact O-N 3.48Å; I229-L241 HydrophobicContact CG2-CD2 3.96Å
230E97Very high95.1Very high52 Ų5259.3 Ų59.324%0.24331%0.308CS..Hα-helixtrans-60-44.4179.9-68.7-176.2171.600111.1I226 K234 L241 C243I226-E230 HydrophobicContact CG2-CG 4.19Å; I226-E230 WeakPolarHBondContact O-CG 3.38Å; I226-E230 PolarHBondContact O-N 3.25Å; E230-K234 VanDerWaalsContact O-CB 3.31Å; E230-K234 WeakPolarHBondContact O-CB 3.42Å; E230-K234 PolarHBondContact O-N 3.42Å; E230-L241 WeakPolarHBondContact CG-O 3.43Å; E230-C243 HydrophobicContact CG-CB 4.4Å; E230-C243 PolarHBondContact OE1-N 3.13Å
231Y95.9Very high95.1Very high152 Ų15255.7 Ų55.760%0.59628%0.284SS*.Hα-helixtrans-62.9-46.2176.3-178.4-95.8000112.4D227 I229 K234 Q235D227-Y231 WeakPolarHBondContact O-CB 3.41Å; D227-Y231 PolarHBondContact O-N 3.4Å; I229-Y231 VanDerWaalsContact C-N 3.33Å; I229-Y231 PolarHBondContact O-N 3.4Å; Y231-K234 PolarHBondContact O-N 3.07Å; Y231-Q235 HydrophobicContact CD1-CG 4.06Å; Y231-Q235 HydrophobicContact CD2-CG 4.31Å; Y231-Q235 HydrophobicContact CE1-CG 3.63Å; Y231-Q235 HydrophobicContact CE2-CG 3.9Å; Y231-Q235 HydrophobicContact CG-CG 4.38Å; Y231-Q235 WeakPolarHBondContact O-CG 3.45Å; Y231-Q235 PolarHBondContact O-N 3.15Å
232D95.1Very high95.2Very high44 Ų4456.5 Ų56.524%0.23529%0.294CS..Hα-helixtrans-62.2-45.2-179.9-174.857.7000111.8H182 Y186 A228 I229 K234 Q235 N236H182-D232 IonicContact CD2-OD2 2.8Å; H182-D232 PolarHBondContact CD2-OD2 3.46Å; H182-D232 VanDerWaalsContact CD2-OD2 3.31Å; Y186-D232 WeakPolarHBondContact OH-CB 3.43Å; A228-D232 VanDerWaalsContact O-CB 3.27Å; A228-D232 WeakPolarHBondContact O-CB 3.33Å; A228-D232 PolarHBondContact O-N 3.44Å; I229-D232 PolarHBondContact O-N 3.1Å; D232-K234 PolarHBondContact O-N 3.33Å; D232-Q235 PolarHBondContact O-N 3.17Å; D232-N236 WeakPolarHBondContact O-CB 3.33Å; D232-N236 PolarHBondContact O-N 3.45Å; D232-N236 PolarHBondContact O-ND2 3.11Å; D232-N236 PolarHBondContact OD1-ND2 3.48Å
233V95.9Very high95.3Very high0 Ų057.2 Ų57.20%030%0.298CS..Hα-helixtrans-63.9-41.8175.7169.20000111H182 I229 L237 G238 V239 L241H182-V233 HydrophobicContact CB-CG2 3.94Å; I229-V233 WeakPolarHBondContact O-CG2 3.49Å; I229-V233 PolarHBondContact O-N 3.48Å; V233-L237 HydrophobicContact CG1-CD1 4.32Å; V233-L237 WeakPolarHBondContact O-CA 3.43Å; V233-L237 VanDerWaalsContact O-CB 3.31Å; V233-L237 WeakPolarHBondContact O-CB 3.3Å; V233-L237 PolarHBondContact O-N 2.88Å; V233-G238 PolarHBondContact O-N 2.83Å; V233-V239 HydrophobicContact CG1-CB 3.96Å; V233-V239 HydrophobicContact CG1-CG1 4.4Å; V233-L241 HydrophobicContact CB-CB 4.3Å; V233-L241 HydrophobicContact CB-CD2 4.05Å; V233-L241 HydrophobicContact CG1-CB 3.89Å; V233-L241 HydrophobicContact CG1-CD2 4.13Å; V233-L241 HydrophobicContact CG2-CD2 3.88Å
234K95.4Very high95.3Very high73 Ų7357 Ų5732%0.31730%0.298SS..Hα-helixtrans-63.1-44.1177.3-175.962.6180-179.30112.5E230 Y231 D232 G238 V239 D240E230-K234 VanDerWaalsContact O-CB 3.31Å; E230-K234 WeakPolarHBondContact O-CB 3.42Å; E230-K234 PolarHBondContact O-N 3.42Å; Y231-K234 PolarHBondContact O-N 3.07Å; D232-K234 PolarHBondContact O-N 3.33Å; K234-G238 PolarHBondContact NZ-O 3.1Å; K234-G238 WeakPolarHBondContact O-CA 3.35Å; K234-G238 PolarHBondContact O-N 3.4Å; K234-V239 WeakPolarHBondContact CA-O 3.43Å; K234-V239 WeakPolarHBondContact CD-O 3.19Å; K234-D240 WeakPolarHBondContact CD-OD1 3.41Å; K234-D240 WeakPolarHBondContact CE-OD1 3.35Å; K234-D240 IonicContact NZ-OD1 3.34Å; K234-D240 PolarHBondContact NZ-OD1 3.39Å; K234-D240 IonicContact NZ-OD2 3.57Å; K234-D240 PolarHBondContact NZ-OD2 3.07Å
235Q95.3Very high95.2Very high120 Ų12053.3 Ų53.356%0.56128%0.282SS*.Hα-helixtrans-72.3-40.4-177.7-67.8-53.2-54.500113Y231 D232Y231-Q235 HydrophobicContact CD1-CG 4.06Å; Y231-Q235 HydrophobicContact CD2-CG 4.31Å; Y231-Q235 HydrophobicContact CE1-CG 3.63Å; Y231-Q235 HydrophobicContact CE2-CG 3.9Å; Y231-Q235 HydrophobicContact CG-CG 4.38Å; Y231-Q235 WeakPolarHBondContact O-CG 3.45Å; Y231-Q235 PolarHBondContact O-N 3.15Å; D232-Q235 PolarHBondContact O-N 3.17Å
236N94.7Very high95.1Very high98 Ų9853.1 Ų53.152%0.52428%0.28SS..Hα-helixtrans-88.5-32.5-174.5-66.6-70.4000113.4H182 D232H182-N236 WeakPolarHBondContact NE2-CB 3.5Å; D232-N236 WeakPolarHBondContact O-CB 3.33Å; D232-N236 PolarHBondContact O-N 3.45Å; D232-N236 PolarHBondContact O-ND2 3.11Å; D232-N236 PolarHBondContact OD1-ND2 3.48Å
237L93.3Very high94.9Very high60 Ų6056.7 Ų56.731%0.31430%0.304SS..Hα-helixtrans-112.5-12.5-175.1-56.5-176.9000113.7A178 I179 V233 V239A178-L237 HydrophobicContact CB-CD1 3.9Å; A178-L237 HydrophobicContact CB-CD2 3.9Å; I179-L237 HydrophobicContact CG1-CD1 3.85Å; V233-L237 HydrophobicContact CG1-CD1 4.32Å; V233-L237 WeakPolarHBondContact O-CA 3.43Å; V233-L237 VanDerWaalsContact O-CB 3.31Å; V233-L237 WeakPolarHBondContact O-CB 3.3Å; V233-L237 PolarHBondContact O-N 2.88Å; L237-V239 HydrophobicContact CB-CB 4.47Å; L237-V239 HydrophobicContact CB-CG2 3.99Å; L237-V239 PolarHBondContact O-N 2.71Å
238G92.9Very high94.6Very high37 Ų3756.4 Ų56.438%0.38130%0.298SS..  trans73.23.7-175.700000114.3V233 K234V233-G238 PolarHBondContact O-N 2.83Å; K234-G238 PolarHBondContact NZ-O 3.1Å; K234-G238 WeakPolarHBondContact O-CA 3.35Å; K234-G238 PolarHBondContact O-N 3.4Å
239V94.7Very high94.3Very high14 Ų1455.3 Ų55.39%0.08529%0.287CS..  trans-85.7130.2-175.7177.90000110.3I179 V205 A207 V233 K234 L237 L241I179-V239 HydrophobicContact CD1-CG1 4.19Å; V205-V239 HydrophobicContact CB-CG2 4.19Å; V205-V239 HydrophobicContact CG1-CG1 4.23Å; V205-V239 HydrophobicContact CG1-CG2 3.95Å; V205-V239 WeakPolarHBondContact O-CA 3.44Å; A207-V239 HydrophobicContact CB-CG1 3.68Å; V233-V239 HydrophobicContact CG1-CB 3.96Å; V233-V239 HydrophobicContact CG1-CG1 4.4Å; K234-V239 WeakPolarHBondContact CA-O 3.43Å; K234-V239 WeakPolarHBondContact CD-O 3.19Å; L237-V239 HydrophobicContact CB-CB 4.47Å; L237-V239 HydrophobicContact CB-CG2 3.99Å; L237-V239 PolarHBondContact O-N 2.71Å; V239-L241 PolarHBondContact O-N 2.89Å
240D94.6Very high93.8Very high57 Ų5758.4 Ų58.431%0.30530%0.303SS..EExtended strand (participates in β ladder)trans-78.794.2168.1-68.4-65000109.1V205 F206 A207 K234V205-D240 PolarHBondContact O-N 3.45Å; F206-D240 CarbonylContact C-O 3.59Å; F206-D240 WeakPolarHBondContact CA-O 3.44Å; F206-D240 HydrophobicContact CD1-CB 3.48Å; F206-D240 VanDerWaalsContact CD1-CB 3.48Å; F206-D240 HydrophobicContact CE1-CB 3.64Å; F206-D240 HydrophobicContact CG-CB 4.2Å; F206-D240 HydrophobicContact CZ-CB 4.48Å; A207-D240 PolarHBondContact N-O 2.93Å; K234-D240 WeakPolarHBondContact CD-OD1 3.41Å; K234-D240 WeakPolarHBondContact CE-OD1 3.35Å; K234-D240 IonicContact NZ-OD1 3.34Å; K234-D240 PolarHBondContact NZ-OD1 3.39Å; K234-D240 IonicContact NZ-OD2 3.57Å; K234-D240 PolarHBondContact NZ-OD2 3.07Å
241L96.5Very high93.3Very high9 Ų960.2 Ų60.25%0.04731%0.314CS..EExtended strand (participates in β ladder)trans-88.2134178.3-176.466.4000110.4A207 V209 I229 E230 V233 V239A207-L241 HydrophobicContact CB-CD1 3.64Å; A207-L241 CarbonylContact O-C 3.51Å; A207-L241 WeakPolarHBondContact O-CA 3.29Å; V209-L241 HydrophobicContact CB-CD1 4.34Å; V209-L241 HydrophobicContact CG1-CD1 3.77Å; V209-L241 HydrophobicContact CG1-CD2 4.27Å; V209-L241 HydrophobicContact CG1-CG 4.29Å; I229-L241 HydrophobicContact CG2-CD2 3.96Å; E230-L241 WeakPolarHBondContact CG-O 3.43Å; V233-L241 HydrophobicContact CB-CB 4.3Å; V233-L241 HydrophobicContact CB-CD2 4.05Å; V233-L241 HydrophobicContact CG1-CB 3.89Å; V233-L241 HydrophobicContact CG1-CD2 4.13Å; V233-L241 HydrophobicContact CG2-CD2 3.88Å; V239-L241 PolarHBondContact O-N 2.89Å
242V96.7Very high93Very high92 Ų9255.4 Ų55.456%0.55830%0.299SS*.EExtended strand (participates in β ladder)trans-116118.7168.51790000108.6A207 S208 V209A207-V242 PolarHBondContact O-N 2.93Å; S208-V242 VanDerWaalsContact CA-O 3.23Å; S208-V242 WeakPolarHBondContact CA-O 3.28Å; V209-V242 PolarHBondContact N-O 3.41Å; V209-V242 VanDerWaalsContact N-O 3.08Å
243C96.4Very high92.7Very high16 Ų1657.9 Ų57.911%0.10832%0.318CS..EExtended strand (participates in β ladder)trans-97.8121.8179.5-63.40000110.7V209 I211 I226 E230V209-C243 HydrophobicContact CG1-CB 4.44Å; V209-C243 CarbonylContact O-C 3.55Å; V209-C243 WeakPolarHBondContact O-CA 3.27Å; I211-C243 HydrophobicContact CG1-CB 3.96Å; I226-C243 HydrophobicContact CD1-CB 3.88Å; I226-C243 HydrophobicContact CG1-CB 4.43Å; I226-C243 HydrophobicContact CG2-CB 3.5Å; I226-C243 VanDerWaalsContact CG2-CB 3.5Å; E230-C243 HydrophobicContact CG-CB 4.4Å; E230-C243 PolarHBondContact OE1-N 3.13Å
244H95.1Very high92.4Very high102 Ų10259.2 Ų59.247%0.47233%0.325SS..EExtended strand (participates in β ladder)trans-78.6132.7162.8-166.9105.3000108.8V209 H210 I211 D246V209-H244 PolarHBondContact O-N 3.09Å; H210-H244 AromaticContact CE1-CG 3.97Å; I211-H244 PolarHBondContact N-O 3.46Å; H244-D246 IonicContact CD2-OD1 2.66Å; H244-D246 PolarHBondContact CD2-OD1 3.38Å; H244-D246 IonicContact NE2-OD1 3.32Å; H244-D246 PolarHBondContact NE2-OD1 2.97Å
245L93.7Very high92.1Very high52 Ų5256.7 Ų56.727%0.27231%0.314SS..EExtended strand (participates in β ladder)trans-90.9111.7178.7-172126000110.9V213 A222 I226V213-L245 HydrophobicContact CG2-CD1 3.97Å; V213-L245 HydrophobicContact CG2-CD2 3.93Å; V213-L245 HydrophobicContact CG2-CG 3.8Å; A222-L245 HydrophobicContact CB-CD1 3.39Å; A222-L245 HydrophobicContact CB-CD2 4.48Å; I226-L245 HydrophobicContact CG1-CD1 3.91Å
246D91.8Very high91.9Very high12 Ų1256.2 Ų56.26%0.06431%0.31CS..EExtended strand (participates in β ladder)trans-104.9116.2178.5-80.2-20.1000111.3H193 H210 I211 E212 V213 H244 Y248H193-D246 IonicContact CE1-OD2 3.84Å; H193-D246 PolarHBondContact CE1-OD2 3.13Å; H193-D246 IonicContact NE2-OD2 2.59Å; H193-D246 PolarHBondContact NE2-OD2 3.47Å; H210-D246 VanDerWaalsContact CB-OD2 3.27Å; H210-D246 WeakPolarHBondContact CB-OD2 3.26Å; H210-D246 IonicContact CE1-OD2 3.77Å; H210-D246 IonicContact CG-OD2 2.87Å; H210-D246 IonicContact ND1-OD1 3.39Å; H210-D246 IonicContact ND1-OD2 3.6Å; H210-D246 PolarHBondContact ND1-OD2 3.09Å; I211-D246 PolarHBondContact O-N 2.89Å; E212-D246 WeakPolarHBondContact CA-O 3.46Å; V213-D246 PolarHBondContact N-O 2.96Å; H244-D246 IonicContact CD2-OD1 2.66Å; H244-D246 PolarHBondContact CD2-OD1 3.38Å; H244-D246 IonicContact NE2-OD1 3.32Å; H244-D246 PolarHBondContact NE2-OD1 2.97Å; D246-Y248 PolarHBondContact O-N 2.92Å
247P91.1Very high91.8Very high84 Ų8456.5 Ų56.555%0.54530%0.304SS..EExtended strand (participates in β ladder)trans-73.5119.6176.829.7-32.5000110.1Q215Q215-P247 HydrophobicContact CB-CB 4.17Å
248Y89.7Confident91.7Very high66 Ų6653.8 Ų53.826%0.25929%0.289SS..EExtended strand (participates in β ladder)trans-99.6117.7177.9-165.9-86.2000110.4I190 E212 V213 Q215 D246 I250 F255I190-Y248 HydrophobicContact CD1-CD1 4Å; I190-Y248 HydrophobicContact CD1-CG 4.06Å; I190-Y248 HydrophobicContact CG2-CD1 4.02Å; I190-Y248 HydrophobicContact CG2-CD2 4.45Å; I190-Y248 HydrophobicContact CG2-CE1 4.2Å; I190-Y248 HydrophobicContact CG2-CG 4.12Å; E212-Y248 HydrophobicContact CB-CD2 4.23Å; E212-Y248 HydrophobicContact CG-CD2 4.15Å; V213-Y248 WeakPolarHBondContact O-CB 3.31Å; V213-Y248 PolarHBondContact O-N 3.29Å; Q215-Y248 PolarHBondContact N-O 3.18Å; Q215-Y248 VanDerWaalsContact N-O 3.12Å; D246-Y248 PolarHBondContact O-N 2.92Å; Y248-I250 VanDerWaalsContact C-N 3.3Å; Y248-I250 HydrophobicContact CD1-CG1 3.72Å; Y248-I250 HydrophobicContact CE1-CG1 4.26Å; Y248-I250 PolarHBondContact O-N 3.45Å; Y248-F255 AromaticContact CE1-CE1 3.78Å; Y248-F255 HydrophobicContact CE1-CE1 3.78Å; Y248-F255 AromaticContact CE1-CZ 3.89Å; Y248-F255 HydrophobicContact CE1-CZ 3.89Å; Y248-F255 HydrophobicContact CE2-CE1 4.46Å; Y248-F255 HydrophobicContact CE2-CE2 4.48Å; Y248-F255 AromaticContact CE2-CZ 3.76Å; Y248-F255 HydrophobicContact CE2-CZ 3.76Å; Y248-F255 AromaticContact CZ-CE1 3.64Å; Y248-F255 AromaticContact CZ-CZ 3.37Å; Y248-F255 WeakPolarHBondContact OH-CE1 3.44Å; Y248-F255 VanDerWaalsContact OH-CZ 3.27Å; Y248-F255 WeakPolarHBondContact OH-CZ 3.43Å
249P89.5Confident91.7Very high22 Ų2252.5 Ų52.514%0.14328%0.275CS..  trans-85.167.6-169.436.6-39.1000112.1Q215 D251 D252 F255Q215-P249 HydrophobicContact CG-CB 4.49Å; P249-D251 PolarHBondContact O-N 3.35Å; P249-D251 VanDerWaalsContact O-N 3.13Å; P249-D252 HydrophobicContact CB-CB 3.71Å; P249-D252 HydrophobicContact CG-CB 4.48Å; P249-D252 PolarHBondContact O-N 2.66Å; P249-F255 HydrophobicContact CG-CB 3.97Å; P249-F255 HydrophobicContact CG-CD1 4.49Å; P249-F255 HydrophobicContact CG-CD2 3.46Å; P249-F255 VanDerWaalsContact CG-CD2 3.46Å; P249-F255 HydrophobicContact CG-CE2 4.05Å; P249-F255 HydrophobicContact CG-CG 3.73Å
250I84.3Confident91.6Very high65 Ų6555.2 Ų55.233%0.33329%0.293SS..THydrogen-bonded Turntrans-51.9-41.6-175.6-59.3179.3000111.2I190 N214 Y248 K256I190-I250 HydrophobicContact CD1-CD1 3.53Å; I190-I250 HydrophobicContact CD1-CG1 3.78Å; I190-I250 HydrophobicContact CG1-CD1 4.09Å; N214-I250 HydrophobicContact CB-CD1 4.21Å; Y248-I250 VanDerWaalsContact C-N 3.3Å; Y248-I250 HydrophobicContact CD1-CG1 3.72Å; Y248-I250 HydrophobicContact CE1-CG1 4.26Å; Y248-I250 PolarHBondContact O-N 3.45Å; I250-K256 WeakPolarHBondContact O-CE 3.44Å
251D87.4Confident91.5Very high89 Ų8955 Ų5548%0.47629%0.29SS..THydrogen-bonded Turntrans-97.71-173.1-77.3-41.4000115.7P249 P253 K256P249-D251 PolarHBondContact O-N 3.35Å; P249-D251 VanDerWaalsContact O-N 3.13Å; D251-P253 WeakPolarHBondContact O-CD 3.35Å; D251-K256 IonicContact OD1-NZ 3.03Å; D251-K256 PolarHBondContact OD1-NZ 2.82Å
252D88.9Confident91.4Very high51 Ų5154.6 Ų54.627%0.27329%0.288SS..  trans-69.4124.4178.1-176.7-76.8000111.8P249 D254 F255 K256P249-D252 HydrophobicContact CB-CB 3.71Å; P249-D252 HydrophobicContact CG-CB 4.48Å; P249-D252 PolarHBondContact O-N 2.66Å; D252-D254 VanDerWaalsContact C-N 3.3Å; D252-D254 PolarHBondContact O-N 3.24Å; D252-D254 VanDerWaalsContact OD1-CA 3.31Å; D252-D254 WeakPolarHBondContact OD1-CA 3.48Å; D252-D254 VanDerWaalsContact OD1-CB 3.26Å; D252-D254 WeakPolarHBondContact OD1-CB 3.27Å; D252-D254 PolarHBondContact OD1-N 3.23Å; D252-F255 HydrophobicContact CB-CB 3.95Å; D252-F255 PolarHBondContact O-N 3.1Å; D252-F255 PolarHBondContact OD1-N 2.77Å; D252-K256 WeakPolarHBondContact O-CG 3.49Å; D252-K256 PolarHBondContact O-N 3.44Å
253P89.9Confident91.3Very high97 Ų9757.3 Ų57.363%0.6329%0.292SS*.Hα-helixtrans-62.2-32.6-178.9-24.634.5000114.5D251 R257D251-P253 WeakPolarHBondContact O-CD 3.35Å; P253-R257 WeakPolarHBondContact O-CB 3.49Å; P253-R257 PolarHBondContact O-N 3.11Å; P253-R257 VanDerWaalsContact O-N 3.12Å
254D89.5Confident91.2Very high28 Ų2861.5 Ų61.515%0.1531%0.306CS..Hα-helixtrans-75.3-41.4179.7-60.8-51.5000111.2D252 R257 I258 V280 K282D252-D254 VanDerWaalsContact C-N 3.3Å; D252-D254 PolarHBondContact O-N 3.24Å; D252-D254 VanDerWaalsContact OD1-CA 3.31Å; D252-D254 WeakPolarHBondContact OD1-CA 3.48Å; D252-D254 VanDerWaalsContact OD1-CB 3.26Å; D252-D254 WeakPolarHBondContact OD1-CB 3.27Å; D252-D254 PolarHBondContact OD1-N 3.23Å; D254-R257 WeakPolarHBondContact O-CB 3.46Å; D254-R257 PolarHBondContact O-N 2.83Å; D254-R257 IonicContact OD1-NH2 2.77Å; D254-I258 WeakPolarHBondContact O-CG1 3.44Å; D254-I258 PolarHBondContact O-N 3.48Å; D254-V280 HydrophobicContact CB-CB 4.27Å; D254-V280 HydrophobicContact CB-CG2 3.92Å; D254-K282 WeakPolarHBondContact OD1-CE 3.19Å; D254-K282 IonicContact OD1-NZ 3.29Å; D254-K282 PolarHBondContact OD1-NZ 2.74Å; D254-K282 WeakPolarHBondContact OD2-CE 3.3Å; D254-K282 IonicContact OD2-NZ 2.89Å; D254-K282 PolarHBondContact OD2-NZ 3.31Å
255F89.2Confident91.1Very high19 Ų1956.6 Ų56.68%0.08328%0.283CS..Hα-helixtrans-58.8-49.1172.3-171.5-86.8000110.7Y248 P249 D252 R257 I258 A259 L278Y248-F255 AromaticContact CE1-CE1 3.78Å; Y248-F255 HydrophobicContact CE1-CE1 3.78Å; Y248-F255 AromaticContact CE1-CZ 3.89Å; Y248-F255 HydrophobicContact CE1-CZ 3.89Å; Y248-F255 HydrophobicContact CE2-CE1 4.46Å; Y248-F255 HydrophobicContact CE2-CE2 4.48Å; Y248-F255 AromaticContact CE2-CZ 3.76Å; Y248-F255 HydrophobicContact CE2-CZ 3.76Å; Y248-F255 AromaticContact CZ-CE1 3.64Å; Y248-F255 AromaticContact CZ-CZ 3.37Å; Y248-F255 WeakPolarHBondContact OH-CE1 3.44Å; Y248-F255 VanDerWaalsContact OH-CZ 3.27Å; Y248-F255 WeakPolarHBondContact OH-CZ 3.43Å; P249-F255 HydrophobicContact CG-CB 3.97Å; P249-F255 HydrophobicContact CG-CD1 4.49Å; P249-F255 HydrophobicContact CG-CD2 3.46Å; P249-F255 VanDerWaalsContact CG-CD2 3.46Å; P249-F255 HydrophobicContact CG-CE2 4.05Å; P249-F255 HydrophobicContact CG-CG 3.73Å; D252-F255 HydrophobicContact CB-CB 3.95Å; D252-F255 PolarHBondContact O-N 3.1Å; D252-F255 PolarHBondContact OD1-N 2.77Å; F255-R257 PolarHBondContact O-N 2.8Å; F255-I258 PolarHBondContact O-N 3.01Å; F255-A259 HydrophobicContact CD1-CB 3.97Å; F255-A259 HydrophobicContact CE1-CB 3.66Å; F255-A259 HydrophobicContact CE2-CB 4.28Å; F255-A259 HydrophobicContact CG-CB 4.37Å; F255-A259 HydrophobicContact CZ-CB 3.83Å; F255-A259 WeakPolarHBondContact O-CB 3.46Å; F255-A259 PolarHBondContact O-N 3.15Å; F255-L278 HydrophobicContact CD2-CB 4.02Å; F255-L278 HydrophobicContact CD2-CD2 3.72Å; F255-L278 HydrophobicContact CD2-CG 4.17Å; F255-L278 HydrophobicContact CE2-CB 3.79Å; F255-L278 HydrophobicContact CE2-CD2 3.91Å; F255-L278 HydrophobicContact CE2-CG 4.35Å; F255-L278 HydrophobicContact CG-CD2 4.41Å
256K90.6Very high91.1Very high111 Ų11154.2 Ų54.248%0.48327%0.271SS..Hα-helixtrans-58.7-30.3176.4-74.5-177.8-173.4173.50113.2I250 D251 D252 P260I250-K256 WeakPolarHBondContact O-CE 3.44Å; D251-K256 IonicContact OD1-NZ 3.03Å; D251-K256 PolarHBondContact OD1-NZ 2.82Å; D252-K256 WeakPolarHBondContact O-CG 3.49Å; D252-K256 PolarHBondContact O-N 3.44Å; K256-P260 VanDerWaalsContact O-CD 3.26Å; K256-P260 WeakPolarHBondContact O-CD 3.3Å; K256-P260 WeakPolarHBondContact O-CG 3.32Å
257R91.3Very high91.2Very high104 Ų10460.7 Ų60.739%0.39230%0.298SS..Hα-helixtrans-77.2-46177.1177.5179.560.295.2-7112.3P253 D254 F255 E287P253-R257 WeakPolarHBondContact O-CB 3.49Å; P253-R257 PolarHBondContact O-N 3.11Å; P253-R257 VanDerWaalsContact O-N 3.12Å; D254-R257 WeakPolarHBondContact O-CB 3.46Å; D254-R257 PolarHBondContact O-N 2.83Å; D254-R257 IonicContact OD1-NH2 2.77Å; F255-R257 PolarHBondContact O-N 2.8Å; R257-E287 IonicContact CZ-OE1 2.81Å; R257-E287 VanDerWaalsContact CZ-OE1 3.29Å; R257-E287 IonicContact NH1-OE1 3.09Å; R257-E287 PolarHBondContact NH1-OE1 3.45Å; R257-E287 VanDerWaalsContact NH2-CD 3.3Å; R257-E287 IonicContact NH2-OE1 3.05Å; R257-E287 PolarHBondContact NH2-OE1 3.37Å; R257-E287 IonicContact NH2-OE2 3.8Å; R257-E287 PolarHBondContact NH2-OE2 2.89Å
258I92.4Very high91.3Very high2 Ų260.9 Ų60.91%0.0130%0.295CS..Hα-helixtrans-90.8-41.9-167.8-65169.6000112.2D254 F255 E261 L262 L278 V280 I289 F315D254-I258 WeakPolarHBondContact O-CG1 3.44Å; D254-I258 PolarHBondContact O-N 3.48Å; F255-I258 PolarHBondContact O-N 3.01Å; I258-E261 PolarHBondContact O-N 3.03Å; I258-L262 WeakPolarHBondContact O-CB 3.22Å; I258-L262 PolarHBondContact O-N 3.16Å; I258-L278 HydrophobicContact CB-CD2 4.16Å; I258-L278 HydrophobicContact CG2-CD1 4.02Å; I258-L278 HydrophobicContact CG2-CD2 3.93Å; I258-V280 HydrophobicContact CD1-CB 4.43Å; I258-V280 HydrophobicContact CD1-CG1 4.19Å; I258-V280 HydrophobicContact CD1-CG2 3.34Å; I258-I289 HydrophobicContact CD1-CD1 3.75Å; I258-I289 HydrophobicContact CD1-CG1 3.96Å; I258-I289 HydrophobicContact CG1-CD1 4.33Å; I258-I289 HydrophobicContact CG2-CD1 4.09Å; I258-I289 HydrophobicContact CG2-CG2 4.06Å; I258-F315 HydrophobicContact CG2-CE2 4.04Å; I258-F315 HydrophobicContact CG2-CZ 4.03Å
259A92.3Very high91.4Very high10 Ų1059.2 Ų59.28%0.08329%0.29CS..Hα-helixtrans-57.3-44.8-173.400000113.5F255 E261 K263 F275 L278F255-A259 HydrophobicContact CD1-CB 3.97Å; F255-A259 HydrophobicContact CE1-CB 3.66Å; F255-A259 HydrophobicContact CE2-CB 4.28Å; F255-A259 HydrophobicContact CG-CB 4.37Å; F255-A259 HydrophobicContact CZ-CB 3.83Å; F255-A259 WeakPolarHBondContact O-CB 3.46Å; F255-A259 PolarHBondContact O-N 3.15Å; A259-E261 PolarHBondContact O-N 3.17Å; A259-K263 VanDerWaalsContact O-CB 3.27Å; A259-K263 WeakPolarHBondContact O-CB 3.26Å; A259-K263 PolarHBondContact O-N 3.38Å; A259-F275 HydrophobicContact CB-CE2 4.45Å; A259-F275 HydrophobicContact CB-CZ 3.89Å; A259-L278 HydrophobicContact CB-CD2 3.77Å
260P93Very high91.5Very high72 Ų7260 Ų6047%0.46829%0.292SS..Hα-helixtrans-64.9-39.3178.7-2234.9000113.2K256 R264K256-P260 VanDerWaalsContact O-CD 3.26Å; K256-P260 WeakPolarHBondContact O-CD 3.3Å; K256-P260 WeakPolarHBondContact O-CG 3.32Å; P260-R264 PolarHBondContact O-N 2.71Å
261E93.1Very high91.8Very high53 Ų5363.9 Ų63.925%0.24831%0.308CS..Hα-helixtrans-67.9-47.2179.2-69.7-66.7121.200110.8I258 A259 K263 R264 I265 S319I258-E261 PolarHBondContact O-N 3.03Å; A259-E261 PolarHBondContact O-N 3.17Å; E261-K263 VanDerWaalsContact C-N 3.35Å; E261-K263 PolarHBondContact O-N 3.3Å; E261-R264 WeakPolarHBondContact O-CB 2.95Å; E261-R264 PolarHBondContact O-N 3.1Å; E261-R264 IonicContact OE1-CZ 3.13Å; E261-R264 IonicContact OE1-NH1 3.28Å; E261-R264 PolarHBondContact OE1-NH1 3.45Å; E261-R264 IonicContact OE1-NH2 3.54Å; E261-R264 IonicContact OE2-CZ 2.86Å; E261-R264 IonicContact OE2-NH1 3.56Å; E261-R264 PolarHBondContact OE2-NH1 2.99Å; E261-R264 IonicContact OE2-NH2 3.37Å; E261-R264 PolarHBondContact OE2-NH2 3.28Å; E261-I265 WeakPolarHBondContact O-CD1 3.4Å; E261-I265 WeakPolarHBondContact O-CG1 3.35Å; E261-I265 PolarHBondContact O-N 2.81Å; E261-S319 PolarHBondContact OE2-OG 3.05Å
262L93.9Very high91.9Very high0 Ų064 Ų640%031%0.306CS..Hα-helixtrans-59.7-45.7175.8-175.260000111I258 R264 I265 L266 F275 L278 F291 I311 F315I258-L262 WeakPolarHBondContact O-CB 3.22Å; I258-L262 PolarHBondContact O-N 3.16Å; L262-R264 VanDerWaalsContact C-N 3.3Å; L262-R264 PolarHBondContact O-N 2.98Å; L262-I265 PolarHBondContact O-N 2.86Å; L262-L266 HydrophobicContact CD1-CD1 4.38Å; L262-L266 HydrophobicContact CD1-CG 4.21Å; L262-L266 HydrophobicContact CG-CD1 4.12Å; L262-L266 HydrophobicContact CG-CG 4.36Å; L262-L266 WeakPolarHBondContact O-CB 3.13Å; L262-L266 VanDerWaalsContact O-CG 3.29Å; L262-L266 WeakPolarHBondContact O-CG 3.43Å; L262-L266 PolarHBondContact O-N 3.41Å; L262-F275 HydrophobicContact CB-CE1 4.24Å; L262-F275 HydrophobicContact CD2-CD1 3.89Å; L262-F275 HydrophobicContact CD2-CD2 4.02Å; L262-F275 HydrophobicContact CD2-CE1 4.03Å; L262-F275 HydrophobicContact CD2-CE2 4.19Å; L262-F275 HydrophobicContact CD2-CG 3.87Å; L262-F275 HydrophobicContact CD2-CZ 4.18Å; L262-F275 HydrophobicContact CG-CD1 4.05Å; L262-F275 HydrophobicContact CG-CE1 4.08Å; L262-L278 HydrophobicContact CD2-CD1 4.11Å; L262-F291 HydrophobicContact CD1-CE1 4.16Å; L262-F291 HydrophobicContact CD1-CE2 4.38Å; L262-F291 HydrophobicContact CD1-CZ 3.87Å; L262-F291 HydrophobicContact CD2-CD1 3.82Å; L262-F291 HydrophobicContact CD2-CD2 4.07Å; L262-F291 HydrophobicContact CD2-CE1 3.91Å; L262-F291 HydrophobicContact CD2-CE2 4.14Å; L262-F291 HydrophobicContact CD2-CG 3.89Å; L262-F291 HydrophobicContact CD2-CZ 4.05Å; L262-I311 HydrophobicContact CD1-CG2 4.25Å; L262-F315 HydrophobicContact CD1-CD2 4.33Å
263K94Very high92Very high148 Ų14862.1 Ų62.164%0.64330%0.296SS*.Hα-helixtrans-58.4-39.9176.7-169.3171.2-174167.90112.4A259 E261 K267 F275A259-K263 VanDerWaalsContact O-CB 3.27Å; A259-K263 WeakPolarHBondContact O-CB 3.26Å; A259-K263 PolarHBondContact O-N 3.38Å; E261-K263 VanDerWaalsContact C-N 3.35Å; E261-K263 PolarHBondContact O-N 3.3Å; K263-K267 VanDerWaalsContact O-CB 3.32Å; K263-K267 WeakPolarHBondContact O-CB 3.42Å; K263-K267 PolarHBondContact O-N 3.01Å; K263-K267 VanDerWaalsContact O-N 3.09Å; K263-F275 HydrophobicContact CB-CE1 4.17Å
264R94.2Very high92Very high104 Ų10465.6 Ų65.639%0.39230%0.296SS..Hα-helixtrans-64.3-50.6175.6-172.7179.673.3-138.7-3.5110.9P260 E261 L262 L266 K267 D268P260-R264 PolarHBondContact O-N 2.71Å; E261-R264 WeakPolarHBondContact O-CB 2.95Å; E261-R264 PolarHBondContact O-N 3.1Å; E261-R264 IonicContact OE1-CZ 3.13Å; E261-R264 IonicContact OE1-NH1 3.28Å; E261-R264 PolarHBondContact OE1-NH1 3.45Å; E261-R264 IonicContact OE1-NH2 3.54Å; E261-R264 IonicContact OE2-CZ 2.86Å; E261-R264 IonicContact OE2-NH1 3.56Å; E261-R264 PolarHBondContact OE2-NH1 2.99Å; E261-R264 IonicContact OE2-NH2 3.37Å; E261-R264 PolarHBondContact OE2-NH2 3.28Å; L262-R264 VanDerWaalsContact C-N 3.3Å; L262-R264 PolarHBondContact O-N 2.98Å; R264-L266 VanDerWaalsContact C-N 3.34Å; R264-L266 PolarHBondContact O-N 2.98Å; R264-K267 PolarHBondContact O-N 3.4Å; R264-D268 VanDerWaalsContact O-CG 3.24Å; R264-D268 PolarHBondContact O-N 2.99Å
265I93.9Very high92.1Very high0 Ų066.3 Ų66.30%030%0.298CS..Hα-helixtrans-58.2-46.5-179.7-69.5158.9000111.4E261 L262 D268 I269 R314 F315E261-I265 WeakPolarHBondContact O-CD1 3.4Å; E261-I265 WeakPolarHBondContact O-CG1 3.35Å; E261-I265 PolarHBondContact O-N 2.81Å; L262-I265 PolarHBondContact O-N 2.86Å; I265-D268 PolarHBondContact O-N 2.97Å; I265-I269 HydrophobicContact CG2-CD1 4.09Å; I265-I269 WeakPolarHBondContact O-CG1 3.36Å; I265-I269 PolarHBondContact O-N 2.97Å; I265-R314 HydrophobicContact CG2-CB 3.67Å; I265-F315 HydrophobicContact CD1-CB 3.99Å; I265-F315 HydrophobicContact CD1-CD2 3.66Å; I265-F315 HydrophobicContact CD1-CG 4.21Å
266L94.2Very high92Very high1 Ų165.8 Ų65.81%0.00530%0.296CS..Hα-helixtrans-62.9-44.9179.1-67.9-179.8000111.4L262 R264 D268 I269 H270 L273 F275 L293 I311L262-L266 HydrophobicContact CD1-CD1 4.38Å; L262-L266 HydrophobicContact CD1-CG 4.21Å; L262-L266 HydrophobicContact CG-CD1 4.12Å; L262-L266 HydrophobicContact CG-CG 4.36Å; L262-L266 WeakPolarHBondContact O-CB 3.13Å; L262-L266 VanDerWaalsContact O-CG 3.29Å; L262-L266 WeakPolarHBondContact O-CG 3.43Å; L262-L266 PolarHBondContact O-N 3.41Å; R264-L266 VanDerWaalsContact C-N 3.34Å; R264-L266 PolarHBondContact O-N 2.98Å; L266-D268 VanDerWaalsContact C-N 3.28Å; L266-D268 PolarHBondContact O-N 2.85Å; L266-I269 PolarHBondContact O-N 2.6Å; L266-H270 PolarHBondContact O-N 2.86Å; L266-L273 HydrophobicContact CB-CB 3.99Å; L266-L273 HydrophobicContact CD2-CB 4.44Å; L266-L273 HydrophobicContact CD2-CD1 4.46Å; L266-F275 HydrophobicContact CD1-CB 4.15Å; L266-F275 HydrophobicContact CD1-CD1 3.66Å; L266-F275 HydrophobicContact CD1-CG 4.34Å; L266-L293 HydrophobicContact CD1-CD1 3.76Å; L266-L293 HydrophobicContact CD2-CD1 3.56Å; L266-L293 HydrophobicContact CG-CD1 4.31Å; L266-I311 HydrophobicContact CD2-CD1 3.74Å; L266-I311 HydrophobicContact CD2-CG1 3.95Å; L266-I311 HydrophobicContact CD2-CG2 4.29Å
267K93Very high91.7Very high148 Ų14863.6 Ų63.664%0.64329%0.29SS*.Hα-helixtrans-62.2-35.1176.8-167.2179.1-178.9-179.20112.5K263 R264 I269 H270K263-K267 VanDerWaalsContact O-CB 3.32Å; K263-K267 WeakPolarHBondContact O-CB 3.42Å; K263-K267 PolarHBondContact O-N 3.01Å; K263-K267 VanDerWaalsContact O-N 3.09Å; R264-K267 PolarHBondContact O-N 3.4Å; K267-I269 VanDerWaalsContact C-N 3.31Å; K267-H270 CarbonylContact O-C 3.58Å
268D92.7Very high91.7Very high89 Ų8959.4 Ų59.448%0.47628%0.275SS..Hα-helixtrans-72.8-22.2175.6-68.5-16.5000113R264 I265 L266 R314R264-D268 VanDerWaalsContact O-CG 3.24Å; R264-D268 PolarHBondContact O-N 2.99Å; I265-D268 PolarHBondContact O-N 2.97Å; L266-D268 VanDerWaalsContact C-N 3.28Å; L266-D268 PolarHBondContact O-N 2.85Å; D268-R314 PolarHBondContact O-NH1 3.4Å
269I91.5Very high91.6Very high30 Ų3066.8 Ų66.815%0.15430%0.303CS..Hα-helixtrans-82.1-49.6172.3-67.6168.2000108.9I265 L266 K267 L273 Q310 I311I265-I269 HydrophobicContact CG2-CD1 4.09Å; I265-I269 WeakPolarHBondContact O-CG1 3.36Å; I265-I269 PolarHBondContact O-N 2.97Å; L266-I269 PolarHBondContact O-N 2.6Å; K267-I269 VanDerWaalsContact C-N 3.31Å; I269-L273 HydrophobicContact CB-CD1 3.94Å; I269-L273 HydrophobicContact CG2-CD1 3.59Å; I269-Q310 HydrophobicContact CD1-CG 4.09Å; I269-Q310 HydrophobicContact CG1-CG 4.32Å; I269-I311 HydrophobicContact CD1-CB 4.37Å; I269-I311 HydrophobicContact CD1-CG1 3.5Å
270H91.9Very high91.6Very high40 Ų4068.1 Ų68.119%0.18531%0.31CS..  trans-160.3137.2-179.2-167.2-95.4000112.1L266 K267 H272 L273 D298 L299L266-H270 PolarHBondContact O-N 2.86Å; K267-H270 CarbonylContact O-C 3.58Å; H270-H272 AromaticContact CE1-CD2 3.81Å; H270-H272 PolarHBondContact ND1-N 2.92Å; H270-H272 PolarHBondContact O-N 3.2Å; H270-H272 VanDerWaalsContact O-N 3.09Å; H270-L273 HydrophobicContact CB-CD1 3.67Å; H270-L273 HydrophobicContact CB-CG 3.87Å; H270-L273 PolarHBondContact O-N 3.48Å; H270-D298 IonicContact CE1-OD1 3.12Å; H270-D298 PolarHBondContact CE1-OD1 3.25Å; H270-D298 IonicContact CE1-OD2 3.46Å; H270-D298 PolarHBondContact CE1-OD2 3.45Å; H270-D298 IonicContact NE2-OD1 3.86Å; H270-D298 IonicContact NE2-OD2 3.89Å; H270-D298 PolarHBondContact NE2-OD2 3.42Å; H270-L299 HydrophobicContact CB-CD1 4.04Å
271Q90.4Very high91.5Very high146 Ų14666.8 Ų66.868%0.68230%0.298SS*.THydrogen-bonded Turntrans-63.3-22.6-172.572.7-176.8-16.600114.9
272H89.4Confident91.3Very high91 Ų9170.2 Ų70.242%0.42131%0.312SS..THydrogen-bonded Turntrans-104.31.2-178-66.6-79.3000114.3H270 R274 P296H270-H272 AromaticContact CE1-CD2 3.81Å; H270-H272 PolarHBondContact ND1-N 2.92Å; H270-H272 PolarHBondContact O-N 3.2Å; H270-H272 VanDerWaalsContact O-N 3.09Å; H272-R274 PolarHBondContact O-N 2.93Å; H272-P296 HydrophobicContact CB-CB 3.78Å; H272-P296 HydrophobicContact CB-CG 3.88Å
273L91Very high91.1Very high11 Ų1176.2 Ų76.26%0.05835%0.349CS..  trans-70131.9172.7-78.5168000109.9L266 I269 H270 L293 L299L266-L273 HydrophobicContact CB-CB 3.99Å; L266-L273 HydrophobicContact CD2-CB 4.44Å; L266-L273 HydrophobicContact CD2-CD1 4.46Å; I269-L273 HydrophobicContact CB-CD1 3.94Å; I269-L273 HydrophobicContact CG2-CD1 3.59Å; H270-L273 HydrophobicContact CB-CD1 3.67Å; H270-L273 HydrophobicContact CB-CG 3.87Å; H270-L273 PolarHBondContact O-N 3.48Å; L273-L293 HydrophobicContact CD2-CD1 4.21Å; L273-L293 HydrophobicContact CD2-CD2 4.18Å; L273-L293 HydrophobicContact CD2-CG 4.23Å; L273-L299 HydrophobicContact CD1-CD1 4.1Å; L273-L299 HydrophobicContact CD2-CD1 4.01Å; L273-L299 HydrophobicContact CG-CD1 4.05Å
274R90.5Very high90.8Very high171 Ų17171.3 Ų71.365%0.64533%0.332SS*.EExtended strand (participates in β ladder)trans-136.2165178.2-60.8-177.6-177.3-173.32.2109.5H272 L293 V294H272-R274 PolarHBondContact O-N 2.93Å; R274-L293 WeakPolarHBondContact O-CD1 3.34Å; R274-V294 HydrophobicContact CB-CB 4.32Å; R274-V294 PolarHBondContact O-N 2.93Å
275F91.5Very high90.4Very high42 Ų4273.3 Ų73.318%0.18436%0.356CS..EExtended strand (participates in β ladder)trans-138.3158.217472.6-85.5000110.5A259 L262 K263 L266 L278 F291 D292A259-F275 HydrophobicContact CB-CE2 4.45Å; A259-F275 HydrophobicContact CB-CZ 3.89Å; L262-F275 HydrophobicContact CB-CE1 4.24Å; L262-F275 HydrophobicContact CD2-CD1 3.89Å; L262-F275 HydrophobicContact CD2-CD2 4.02Å; L262-F275 HydrophobicContact CD2-CE1 4.03Å; L262-F275 HydrophobicContact CD2-CE2 4.19Å; L262-F275 HydrophobicContact CD2-CG 3.87Å; L262-F275 HydrophobicContact CD2-CZ 4.18Å; L262-F275 HydrophobicContact CG-CD1 4.05Å; L262-F275 HydrophobicContact CG-CE1 4.08Å; K263-F275 HydrophobicContact CB-CE1 4.17Å; L266-F275 HydrophobicContact CD1-CB 4.15Å; L266-F275 HydrophobicContact CD1-CD1 3.66Å; L266-F275 HydrophobicContact CD1-CG 4.34Å; F275-L278 HydrophobicContact CD2-CB 4.11Å; F275-L278 HydrophobicContact CE2-CB 3.79Å; F275-L278 HydrophobicContact CE2-CD2 4.02Å; F275-L278 HydrophobicContact CE2-CG 4.37Å; F275-F291 HydrophobicContact CB-CB 4.47Å; F275-F291 HydrophobicContact CB-CD2 3.8Å; F275-F291 HydrophobicContact CB-CG 4.48Å; F275-F291 HydrophobicContact CD2-CB 4.33Å; F275-D292 CarbonylContact C-O 3.56Å; F275-D292 WeakPolarHBondContact CA-O 3.41Å; F275-D292 VanDerWaalsContact CB-O 3.28Å; F275-D292 WeakPolarHBondContact CB-O 3.5Å
276H86.9Confident90.1Very high8 Ų876.2 Ų76.24%0.03738%0.375CS..EExtended strand (participates in β ladder)trans-138.7179.3167.451.792.3000109.3H193 D194 L278 D292H193-H276 AromaticContact CE1-CG 3.66Å; H193-H276 AromaticContact CE1-ND1 3.45Å; H193-H276 PolarHBondContact CE1-ND1 2.88Å; H193-H276 AromaticContact CG-CG 3.96Å; H193-H276 AromaticContact ND1-CE1 3.93Å; H193-H276 AromaticContact ND1-CG 3.71Å; H193-H276 AromaticContact ND1-ND1 3.65Å; H193-H276 AromaticContact NE2-CG 3.85Å; D194-H276 IonicContact OD1-NE2 2.59Å; D194-H276 IonicContact OD2-CE1 3.73Å; D194-H276 PolarHBondContact OD2-CE1 3.4Å; D194-H276 IonicContact OD2-NE2 2.69Å; H276-L278 VanDerWaalsContact C-N 3.31Å; H276-L278 PolarHBondContact O-N 2.97Å; H276-D292 WeakPolarHBondContact CE1-CB 3.34Å; H276-D292 PolarHBondContact N-O 3.16Å; H276-D292 PolarHBondContact O-N 3.24Å
277D85.8Confident90Very high66 Ų6678.1 Ų78.135%0.35338%0.383SS..EExtended strand (participates in β ladder)trans53.838.6176.9-65.1-49.7000115.9R279D277-R279 PolarHBondContact O-N 2.87Å
278L91.2Very high90.1Very high15 Ų1571.2 Ų71.28%0.07935%0.354CS..EExtended strand (participates in β ladder)trans-68.9118.6178-179.271.5000111.2F255 I258 A259 L262 F275 H276 I289 Y290 F291F255-L278 HydrophobicContact CD2-CB 4.02Å; F255-L278 HydrophobicContact CD2-CD2 3.72Å; F255-L278 HydrophobicContact CD2-CG 4.17Å; F255-L278 HydrophobicContact CE2-CB 3.79Å; F255-L278 HydrophobicContact CE2-CD2 3.91Å; F255-L278 HydrophobicContact CE2-CG 4.35Å; F255-L278 HydrophobicContact CG-CD2 4.41Å; I258-L278 HydrophobicContact CB-CD2 4.16Å; I258-L278 HydrophobicContact CG2-CD1 4.02Å; I258-L278 HydrophobicContact CG2-CD2 3.93Å; A259-L278 HydrophobicContact CB-CD2 3.77Å; L262-L278 HydrophobicContact CD2-CD1 4.11Å; F275-L278 HydrophobicContact CD2-CB 4.11Å; F275-L278 HydrophobicContact CE2-CB 3.79Å; F275-L278 HydrophobicContact CE2-CD2 4.02Å; F275-L278 HydrophobicContact CE2-CG 4.37Å; H276-L278 VanDerWaalsContact C-N 3.31Å; H276-L278 PolarHBondContact O-N 2.97Å; L278-I289 HydrophobicContact CD1-CG2 3.42Å; L278-I289 VanDerWaalsContact CD1-CG2 3.42Å; L278-Y290 CarbonylContact C-O 3.52Å; L278-Y290 WeakPolarHBondContact CA-O 3.46Å; L278-F291 HydrophobicContact CB-CB 4.45Å; L278-F291 HydrophobicContact CD1-CB 4Å; L278-F291 HydrophobicContact CD1-CD1 4.26Å; L278-F291 HydrophobicContact CD1-CG 4.48Å
279R89.8Confident90.2Very high158 Ų15867 Ų6760%0.59633%0.331SS*.EExtended strand (participates in β ladder)trans-134.2152.617463.5176.7-168-143.6-3111.9D277 Y290D277-R279 PolarHBondContact O-N 2.87Å; R279-Y290 HydrophobicContact CG-CD2 3.9Å; R279-Y290 HydrophobicContact CG-CG 4.07Å; R279-Y290 PolarHBondContact N-O 2.87Å; R279-Y290 VanDerWaalsContact NE-CG 3.3Å; R279-Y290 VanDerWaalsContact NH2-CD1 3.31Å; R279-Y290 PolarHBondContact O-N 2.96Å
280V91.4Very high90.3Very high38 Ų3868.2 Ų68.223%0.2333%0.334CS..EExtended strand (participates in β ladder)trans-124.2122-175.7-171.30000110.2D254 I258 K282D254-V280 HydrophobicContact CB-CB 4.27Å; D254-V280 HydrophobicContact CB-CG2 3.92Å; I258-V280 HydrophobicContact CD1-CB 4.43Å; I258-V280 HydrophobicContact CD1-CG1 4.19Å; I258-V280 HydrophobicContact CD1-CG2 3.34Å; V280-K282 HydrophobicContact CG1-CG 4.18Å
281D91.3Very high90.4Very high44 Ų4466.3 Ų66.324%0.23533%0.326CS..EExtended strand (participates in β ladder)trans-10399.4173.2179.86.9000110.6T283 T284 T288 Y290D281-T283 VanDerWaalsContact C-N 3.26Å; D281-T283 PolarHBondContact O-N 3.12Å; D281-T283 VanDerWaalsContact OD1-CB 3.27Å; D281-T283 WeakPolarHBondContact OD1-CB 3.39Å; D281-T283 WeakPolarHBondContact OD1-CG2 3.04Å; D281-T283 PolarHBondContact OD1-N 2.87Å; D281-T283 PolarHBondContact OD1-OG1 3.48Å; D281-T283 PolarHBondContact OD2-OG1 3Å; D281-T284 PolarHBondContact O-OG1 3.26Å; D281-T288 PolarHBondContact N-O 3.23Å; D281-T288 PolarHBondContact O-N 2.88Å; D281-Y290 HydrophobicContact CB-CE2 3.72Å
282K89.4Confident90.5Very high124 Ų12461.4 Ų61.454%0.53930%0.304SS..THydrogen-bonded Turntrans-77.7-4.4177.1-65.9-178.4171168.90114.2D254 V280 T284D254-K282 WeakPolarHBondContact OD1-CE 3.19Å; D254-K282 IonicContact OD1-NZ 3.29Å; D254-K282 PolarHBondContact OD1-NZ 2.74Å; D254-K282 WeakPolarHBondContact OD2-CE 3.3Å; D254-K282 IonicContact OD2-NZ 2.89Å; D254-K282 PolarHBondContact OD2-NZ 3.31Å; V280-K282 HydrophobicContact CG1-CG 4.18Å; K282-T284 PolarHBondContact O-N 3.41Å
283T89.4Confident90.7Very high127 Ų12757 Ų5778%0.77928%0.284SS*.THydrogen-bonded Turntrans-75.5-12.9177.9720000112.5D281D281-T283 VanDerWaalsContact C-N 3.26Å; D281-T283 PolarHBondContact O-N 3.12Å; D281-T283 VanDerWaalsContact OD1-CB 3.27Å; D281-T283 WeakPolarHBondContact OD1-CB 3.39Å; D281-T283 WeakPolarHBondContact OD1-CG2 3.04Å; D281-T283 PolarHBondContact OD1-N 2.87Å; D281-T283 PolarHBondContact OD1-OG1 3.48Å; D281-T283 PolarHBondContact OD2-OG1 3Å
284T86.7Confident90.6Very high45 Ų4558.5 Ų58.528%0.27629%0.293SS..SBendtrans-97.6154177.656.60000111.9D281 K282 P286 E287 T288D281-T284 PolarHBondContact O-OG1 3.26Å; K282-T284 PolarHBondContact O-N 3.41Å; T284-P286 CarbonylContact C-O 3.18Å; T284-P286 WeakPolarHBondContact CB-O 3.46Å; T284-P286 CarbonylContact O-C 3.6Å; T284-P286 PolarHBondContact OG1-O 3.49Å; T284-E287 PolarHBondContact O-N 3.41Å; T284-T288 WeakPolarHBondContact OG1-CB 3.49Å; T284-T288 PolarHBondContact OG1-N 3.42Å; T284-T288 PolarHBondContact OG1-OG1 2.88Å
285T86.1Confident90.6Very high146 Ų14650.5 Ų50.590%0.89626%0.263SS*.SBendtrans-130.2112.6174.5-52.40000109.7
286P89Confident90.5Very high61 Ų6149.5 Ų49.540%0.39626%0.261SS..SBendcis-64.2164.1-432-37.2000112.4T284 P321T284-P286 CarbonylContact C-O 3.18Å; T284-P286 WeakPolarHBondContact CB-O 3.46Å; T284-P286 CarbonylContact O-C 3.6Å; T284-P286 PolarHBondContact OG1-O 3.49Å; P286-P321 HydrophobicContact CB-CB 4.3Å; P286-P321 WeakPolarHBondContact CB-O 3.29Å
287E92.2Very high90.4Very high40 Ų4054.2 Ų54.219%0.18728%0.283CS..PPolyproline II helixtrans-56.9145.1177.865.4-178.6-176.500111R257 T284 A322 K323R257-E287 IonicContact CZ-OE1 2.81Å; R257-E287 VanDerWaalsContact CZ-OE1 3.29Å; R257-E287 IonicContact NH1-OE1 3.09Å; R257-E287 PolarHBondContact NH1-OE1 3.45Å; R257-E287 VanDerWaalsContact NH2-CD 3.3Å; R257-E287 IonicContact NH2-OE1 3.05Å; R257-E287 PolarHBondContact NH2-OE1 3.37Å; R257-E287 IonicContact NH2-OE2 3.8Å; R257-E287 PolarHBondContact NH2-OE2 2.89Å; T284-E287 PolarHBondContact O-N 3.41Å; E287-A322 HydrophobicContact CG-CB 4.26Å; E287-A322 WeakPolarHBondContact O-CA 3.48Å; E287-K323 PolarHBondContact O-N 3.28Å
288T94.1Very high90.4Very high3 Ų355.5 Ų55.52%0.01829%0.29CS..EExtended strand (participates in β ladder)trans-102.4122.9179-55.20000109.6D281 T284 Y290 K323D281-T288 PolarHBondContact N-O 3.23Å; D281-T288 PolarHBondContact O-N 2.88Å; T284-T288 WeakPolarHBondContact OG1-CB 3.49Å; T284-T288 PolarHBondContact OG1-N 3.42Å; T284-T288 PolarHBondContact OG1-OG1 2.88Å; T288-Y290 HydrophobicContact CG2-CD2 4.12Å; T288-Y290 HydrophobicContact CG2-CE1 3.99Å; T288-Y290 HydrophobicContact CG2-CE2 3.51Å; T288-Y290 VanDerWaalsContact CG2-CZ 3.42Å; T288-K323 CarbonylContact C-O 3.37Å; T288-K323 VanDerWaalsContact CA-O 3.27Å; T288-K323 WeakPolarHBondContact CA-O 3.39Å; T288-K323 HydrophobicContact CG2-CB 4.33Å; T288-K323 HydrophobicContact CG2-CD 4.26Å; T288-K323 HydrophobicContact CG2-CG 4.31Å
289I94.7Very high90.2Very high0 Ų056 Ų560%029%0.293CS..EExtended strand (participates in β ladder)trans-104.4120.5178.7-55.2171.6000107I258 L278 F291 F315 A322 K323 L324 S325I258-I289 HydrophobicContact CD1-CD1 3.75Å; I258-I289 HydrophobicContact CD1-CG1 3.96Å; I258-I289 HydrophobicContact CG1-CD1 4.33Å; I258-I289 HydrophobicContact CG2-CD1 4.09Å; I258-I289 HydrophobicContact CG2-CG2 4.06Å; L278-I289 HydrophobicContact CD1-CG2 3.42Å; L278-I289 VanDerWaalsContact CD1-CG2 3.42Å; I289-F291 HydrophobicContact CG2-CD1 4.16Å; I289-F315 HydrophobicContact CD1-CD1 4.42Å; I289-F315 HydrophobicContact CD1-CE1 3.43Å; I289-F315 VanDerWaalsContact CD1-CE1 3.43Å; I289-F315 HydrophobicContact CD1-CE2 4.28Å; I289-F315 HydrophobicContact CD1-CZ 3.34Å; I289-A322 HydrophobicContact CD1-CB 3.63Å; I289-A322 HydrophobicContact CG1-CB 4.22Å; I289-K323 PolarHBondContact N-O 3.48Å; I289-L324 HydrophobicContact CB-CD2 3.81Å; I289-L324 HydrophobicContact CD1-CD2 3.86Å; I289-L324 HydrophobicContact CG1-CD2 4.29Å; I289-L324 HydrophobicContact CG2-CD2 4.36Å; I289-L324 WeakPolarHBondContact O-CA 3.46Å; I289-S325 PolarHBondContact O-N 3.37Å
290Y94.5Very high90Very high57 Ų5754 Ų5422%0.22429%0.288CS..EExtended strand (participates in β ladder)trans-107.6141.5174.6-48.5-106.7000109.2L278 R279 D281 T288 S325L278-Y290 CarbonylContact C-O 3.52Å; L278-Y290 WeakPolarHBondContact CA-O 3.46Å; R279-Y290 HydrophobicContact CG-CD2 3.9Å; R279-Y290 HydrophobicContact CG-CG 4.07Å; R279-Y290 PolarHBondContact N-O 2.87Å; R279-Y290 VanDerWaalsContact NE-CG 3.3Å; R279-Y290 VanDerWaalsContact NH2-CD1 3.31Å; R279-Y290 PolarHBondContact O-N 2.96Å; D281-Y290 HydrophobicContact CB-CE2 3.72Å; T288-Y290 HydrophobicContact CG2-CD2 4.12Å; T288-Y290 HydrophobicContact CG2-CE1 3.99Å; T288-Y290 HydrophobicContact CG2-CE2 3.51Å; T288-Y290 VanDerWaalsContact CG2-CZ 3.42Å; Y290-S325 WeakPolarHBondContact CA-O 3.29Å; Y290-S325 WeakPolarHBondContact CD1-OG 3.37Å
291F93.4Very high89.9Confident0 Ų061.2 Ų61.20%032%0.316CS..EExtended strand (participates in β ladder)trans-162.5158.1171.459.1-85.3000108.6L262 F275 L278 I289 L293 I311 L324 S325 I326 T327L262-F291 HydrophobicContact CD1-CE1 4.16Å; L262-F291 HydrophobicContact CD1-CE2 4.38Å; L262-F291 HydrophobicContact CD1-CZ 3.87Å; L262-F291 HydrophobicContact CD2-CD1 3.82Å; L262-F291 HydrophobicContact CD2-CD2 4.07Å; L262-F291 HydrophobicContact CD2-CE1 3.91Å; L262-F291 HydrophobicContact CD2-CE2 4.14Å; L262-F291 HydrophobicContact CD2-CG 3.89Å; L262-F291 HydrophobicContact CD2-CZ 4.05Å; F275-F291 HydrophobicContact CB-CB 4.47Å; F275-F291 HydrophobicContact CB-CD2 3.8Å; F275-F291 HydrophobicContact CB-CG 4.48Å; F275-F291 HydrophobicContact CD2-CB 4.33Å; L278-F291 HydrophobicContact CB-CB 4.45Å; L278-F291 HydrophobicContact CD1-CB 4Å; L278-F291 HydrophobicContact CD1-CD1 4.26Å; L278-F291 HydrophobicContact CD1-CG 4.48Å; I289-F291 HydrophobicContact CG2-CD1 4.16Å; F291-L293 HydrophobicContact CD2-CB 4.38Å; F291-L293 HydrophobicContact CE2-CB 4.14Å; F291-L293 HydrophobicContact CE2-CD1 4.09Å; F291-I311 HydrophobicContact CZ-CG2 4.26Å; F291-L324 HydrophobicContact CE1-CB 4.4Å; F291-L324 HydrophobicContact CE1-CD1 4.32Å; F291-L324 HydrophobicContact CE1-CD2 4.36Å; F291-L324 HydrophobicContact CZ-CD1 4.48Å; F291-S325 PolarHBondContact N-O 3.02Å; F291-I326 HydrophobicContact CD2-CG2 4.35Å; F291-I326 HydrophobicContact CE1-CD1 4.31Å; F291-I326 HydrophobicContact CE1-CG1 3.89Å; F291-I326 HydrophobicContact CE2-CB 4.46Å; F291-I326 HydrophobicContact CE2-CD1 4.08Å; F291-I326 HydrophobicContact CE2-CG1 3.99Å; F291-I326 HydrophobicContact CE2-CG2 3.86Å; F291-I326 HydrophobicContact CZ-CB 4.42Å; F291-I326 HydrophobicContact CZ-CD1 3.53Å; F291-I326 HydrophobicContact CZ-CG1 3.49Å; F291-I326 VanDerWaalsContact CZ-CG1 3.49Å; F291-I326 HydrophobicContact CZ-CG2 4.27Å; F291-I326 WeakPolarHBondContact O-CA 3.37Å; F291-T327 PolarHBondContact O-N 3.49Å; F291-T327 VanDerWaalsContact O-N 3.11Å
292D92.2Very high89.8Confident42 Ų4261.1 Ų61.123%0.22532%0.317CS..EExtended strand (participates in β ladder)trans-98.4130.4174.7-74.618.4000108F275 H276 T327F275-D292 CarbonylContact C-O 3.56Å; F275-D292 WeakPolarHBondContact CA-O 3.41Å; F275-D292 VanDerWaalsContact CB-O 3.28Å; F275-D292 WeakPolarHBondContact CB-O 3.5Å; H276-D292 WeakPolarHBondContact CE1-CB 3.34Å; H276-D292 PolarHBondContact N-O 3.16Å; H276-D292 PolarHBondContact O-N 3.24Å; D292-T327 CarbonylContact C-O 3.59Å; D292-T327 WeakPolarHBondContact CA-O 3.5Å; D292-T327 VanDerWaalsContact CG-CB 3.48Å; D292-T327 WeakPolarHBondContact OD1-CB 3.33Å; D292-T327 PolarHBondContact OD1-OG1 3.44Å
293L92.9Very high89.9Confident0 Ų058.6 Ų58.60%031%0.312CS..EExtended strand (participates in β ladder)trans-107.8115.8-174.3-176.878.6000110L266 L273 R274 F291 V295 I311 I326 T327 F328 D329L266-L293 HydrophobicContact CD1-CD1 3.76Å; L266-L293 HydrophobicContact CD2-CD1 3.56Å; L266-L293 HydrophobicContact CG-CD1 4.31Å; L273-L293 HydrophobicContact CD2-CD1 4.21Å; L273-L293 HydrophobicContact CD2-CD2 4.18Å; L273-L293 HydrophobicContact CD2-CG 4.23Å; R274-L293 WeakPolarHBondContact O-CD1 3.34Å; F291-L293 HydrophobicContact CD2-CB 4.38Å; F291-L293 HydrophobicContact CE2-CB 4.14Å; F291-L293 HydrophobicContact CE2-CD1 4.09Å; L293-V295 HydrophobicContact CD2-CG2 3.95Å; L293-V295 HydrophobicContact CG-CG2 4.22Å; L293-V295 PolarHBondContact O-N 2.8Å; L293-I311 HydrophobicContact CD1-CD1 4.25Å; L293-I311 HydrophobicContact CD2-CD1 3.53Å; L293-I326 HydrophobicContact CB-CG2 3.49Å; L293-I326 VanDerWaalsContact CB-CG2 3.49Å; L293-I326 HydrophobicContact CD2-CG2 4.25Å; L293-I326 HydrophobicContact CG-CG2 4.47Å; L293-T327 PolarHBondContact N-O 3.46Å; L293-F328 HydrophobicContact CD2-CD1 3.91Å; L293-F328 HydrophobicContact CD2-CE1 3.61Å; L293-D329 PolarHBondContact O-N 3.37Å
294V89.8Confident90.1Very high41 Ų4155.6 Ų55.625%0.24829%0.291CS..EExtended strand (participates in β ladder)trans-79.7112.2173.7-175.90000108.8R274R274-V294 HydrophobicContact CB-CB 4.32Å; R274-V294 PolarHBondContact O-N 2.93Å
295V90.9Very high90.4Very high4 Ų456.8 Ų56.82%0.02430%0.301CS..  trans-99.1116.3-177.1-175.80000110.6L293 L299 L307 F328 D329 R330L293-V295 HydrophobicContact CD2-CG2 3.95Å; L293-V295 HydrophobicContact CG-CG2 4.22Å; L293-V295 PolarHBondContact O-N 2.8Å; V295-L299 HydrophobicContact CG1-CB 3.8Å; V295-L299 HydrophobicContact CG1-CD1 4.43Å; V295-L307 HydrophobicContact CG1-CD1 3.85Å; V295-L307 HydrophobicContact CG2-CD1 3.98Å; V295-F328 HydrophobicContact CG2-CD1 3.89Å; V295-D329 PolarHBondContact N-O 3.42Å; V295-R330 HydrophobicContact CB-CG 4.17Å; V295-R330 HydrophobicContact CG2-CG 4.44Å
296P88.3Confident90.7Very high21 Ų2154.8 Ų54.814%0.13628%0.282CS..  trans-66.5156.4179.628.5-36.2000112.8H272 D298 L299H272-P296 HydrophobicContact CB-CB 3.78Å; H272-P296 HydrophobicContact CB-CG 3.88Å; P296-D298 WeakPolarHBondContact CB-OD1 3.4Å; P296-D298 WeakPolarHBondContact CG-OD1 3.35Å; P296-D298 PolarHBondContact O-N 2.67Å; P296-L299 HydrophobicContact CG-CD1 4.02Å; P296-L299 HydrophobicContact CG-CG 4.22Å; P296-L299 PolarHBondContact O-N 2.98Å
297E85Confident90.9Very high107 Ų10752 Ų5250%0.526%0.264SS..G310 helixtrans-61.7-30-173.9-157.7-151.8137.300113.6L299 K300 Y332E297-L299 PolarHBondContact O-N 2.86Å; E297-K300 HydrophobicContact CG-CD 4.49Å; E297-K300 VanDerWaalsContact O-CB 3.24Å; E297-K300 WeakPolarHBondContact O-CB 3.26Å; E297-K300 VanDerWaalsContact O-CG 3.27Å; E297-K300 WeakPolarHBondContact O-CG 3.32Å; E297-K300 PolarHBondContact O-N 3.49Å; E297-K300 IonicContact OE1-NZ 3.03Å; E297-K300 PolarHBondContact OE1-NZ 3.41Å; E297-Y332 HydrophobicContact CB-CD1 3.83Å; E297-Y332 HydrophobicContact CB-CE1 4.19Å; E297-Y332 HydrophobicContact CG-CD1 3.75Å; E297-Y332 HydrophobicContact CG-CE1 4Å; E297-Y332 HydrophobicContact CG-CG 4.24Å
298D86.8Confident91.1Very high93 Ų9353.4 Ų53.450%0.49727%0.27SS..G310 helixtrans-62.3-23.4176.448.713.1000113.3H270 P296H270-D298 IonicContact CE1-OD1 3.12Å; H270-D298 PolarHBondContact CE1-OD1 3.25Å; H270-D298 IonicContact CE1-OD2 3.46Å; H270-D298 PolarHBondContact CE1-OD2 3.45Å; H270-D298 IonicContact NE2-OD1 3.86Å; H270-D298 IonicContact NE2-OD2 3.89Å; H270-D298 PolarHBondContact NE2-OD2 3.42Å; P296-D298 WeakPolarHBondContact CB-OD1 3.4Å; P296-D298 WeakPolarHBondContact CG-OD1 3.35Å; P296-D298 PolarHBondContact O-N 2.67Å
299L87.2Confident91.1Very high26 Ų2657.8 Ų57.814%0.13629%0.294CS..G310 helixtrans-91.613174.5-62.4-179.8000113.9H270 L273 V295 P296 E297 K301 V302 L307H270-L299 HydrophobicContact CB-CD1 4.04Å; L273-L299 HydrophobicContact CD1-CD1 4.1Å; L273-L299 HydrophobicContact CD2-CD1 4.01Å; L273-L299 HydrophobicContact CG-CD1 4.05Å; V295-L299 HydrophobicContact CG1-CB 3.8Å; V295-L299 HydrophobicContact CG1-CD1 4.43Å; P296-L299 HydrophobicContact CG-CD1 4.02Å; P296-L299 HydrophobicContact CG-CG 4.22Å; P296-L299 PolarHBondContact O-N 2.98Å; E297-L299 PolarHBondContact O-N 2.86Å; L299-K301 PolarHBondContact O-N 3.33Å; L299-V302 HydrophobicContact CB-CG2 4.43Å; L299-V302 HydrophobicContact CD2-CG2 4.03Å; L299-V302 PolarHBondContact O-N 3.28Å; L299-L307 HydrophobicContact CD1-CD2 4.26Å
300K84.7Confident91Very high115 Ų11561 Ų6150%0.531%0.309SS..THydrogen-bonded Turntrans-54-29.7-179.265.4-173166-160.20115.3E297 R330 Y332E297-K300 HydrophobicContact CG-CD 4.49Å; E297-K300 VanDerWaalsContact O-CB 3.24Å; E297-K300 WeakPolarHBondContact O-CB 3.26Å; E297-K300 VanDerWaalsContact O-CG 3.27Å; E297-K300 WeakPolarHBondContact O-CG 3.32Å; E297-K300 PolarHBondContact O-N 3.49Å; E297-K300 IonicContact OE1-NZ 3.03Å; E297-K300 PolarHBondContact OE1-NZ 3.41Å; K300-R330 PolarHBondContact O-NH1 3.37Å; K300-Y332 WeakPolarHBondContact CB-OH 3.38Å
301K88.9Confident91Very high190 Ų19058.3 Ų58.383%0.82630%0.298SS*.THydrogen-bonded Turntrans-81.7-19.4179.4-67.2-175.3178.8178.60113.8L299L299-K301 PolarHBondContact O-N 3.33Å
302V89.6Confident91.1Very high41 Ų4159.3 Ų59.325%0.24831%0.305CS..SBendtrans-79.6134.2177.4-169.80000107.6L299 Q306 L307 R330L299-V302 HydrophobicContact CB-CG2 4.43Å; L299-V302 HydrophobicContact CD2-CG2 4.03Å; L299-V302 PolarHBondContact O-N 3.28Å; V302-Q306 HydrophobicContact CG1-CB 3.72Å; V302-L307 HydrophobicContact CB-CG 4.35Å; V302-L307 HydrophobicContact CG1-CD1 4.48Å; V302-L307 HydrophobicContact CG1-CD2 4.04Å; V302-L307 HydrophobicContact CG1-CG 3.72Å; V302-R330 VanDerWaalsContact O-CZ 3.31Å; V302-R330 PolarHBondContact O-NH1 2.97Å; V302-R330 VanDerWaalsContact O-NH1 3.13Å; V302-R330 PolarHBondContact O-NH2 3.25Å
303T92.6Very high91.2Very high71 Ų7164.3 Ų64.344%0.43633%0.327SS..  trans-78.7157.217863.20000111.2S305 Q306 L307T303-S305 VanDerWaalsContact C-N 3.26Å; T303-S305 PolarHBondContact O-N 3.36Å; T303-Q306 PolarHBondContact O-N 3.33Å; T303-Q306 WeakPolarHBondContact OG1-CB 3.36Å; T303-Q306 VanDerWaalsContact OG1-CD 3.3Å; T303-Q306 VanDerWaalsContact OG1-CG 3.22Å; T303-Q306 WeakPolarHBondContact OG1-CG 3.47Å; T303-Q306 PolarHBondContact OG1-N 3.29Å; T303-Q306 PolarHBondContact OG1-OE1 3.34Å; T303-L307 PolarHBondContact O-N 3.05Å; T303-L307 VanDerWaalsContact O-N 3.13Å
304N92.8Very high91.2Very high64 Ų6468 Ų6834%0.34234%0.341SS..Hα-helixtrans-57.5-40.4175.1-71.9-3.6000111.8Q306 L307 Q308 F328 R330N304-Q306 PolarHBondContact O-N 3.44Å; N304-L307 PolarHBondContact O-N 3.42Å; N304-Q308 VanDerWaalsContact O-CB 3.3Å; N304-Q308 WeakPolarHBondContact O-CB 3.48Å; N304-Q308 PolarHBondContact O-N 3Å; N304-F328 HydrophobicContact CB-CD1 4.18Å; N304-F328 HydrophobicContact CB-CD2 3.64Å; N304-F328 HydrophobicContact CB-CE1 4.3Å; N304-F328 HydrophobicContact CB-CE2 3.77Å; N304-F328 HydrophobicContact CB-CG 3.85Å; N304-F328 HydrophobicContact CB-CZ 4.11Å; N304-F328 WeakPolarHBondContact ND2-CB 3.38Å; N304-F328 WeakPolarHBondContact O-CZ 3.41Å; N304-R330 PolarHBondContact OD1-NE 3.44Å; N304-R330 PolarHBondContact OD1-NH2 3.42Å
305S93.1Very high91.4Very high70 Ų7066.1 Ų66.149%0.4933%0.329SS..Hα-helixtrans-59.3-46.3176.1-167.90000111.9T303 L307 Q308 D309T303-S305 VanDerWaalsContact C-N 3.26Å; T303-S305 PolarHBondContact O-N 3.36Å; S305-L307 PolarHBondContact O-N 3.46Å; S305-Q308 PolarHBondContact O-N 2.91Å; S305-D309 WeakPolarHBondContact O-CB 3.38Å; S305-D309 PolarHBondContact O-N 3.28Å
306Q93.2Very high91.5Very high105 Ų10569.8 Ų69.849%0.49135%0.348SS..Hα-helixtrans-62.5-43.2179.9-75.8167.3-41.100112.4V302 T303 N304 Q310V302-Q306 HydrophobicContact CG1-CB 3.72Å; T303-Q306 PolarHBondContact O-N 3.33Å; T303-Q306 WeakPolarHBondContact OG1-CB 3.36Å; T303-Q306 VanDerWaalsContact OG1-CD 3.3Å; T303-Q306 VanDerWaalsContact OG1-CG 3.22Å; T303-Q306 WeakPolarHBondContact OG1-CG 3.47Å; T303-Q306 PolarHBondContact OG1-N 3.29Å; T303-Q306 PolarHBondContact OG1-OE1 3.34Å; N304-Q306 PolarHBondContact O-N 3.44Å; Q306-Q310 WeakPolarHBondContact O-CB 3.35Å; Q306-Q310 PolarHBondContact O-N 2.86Å; Q306-Q310 VanDerWaalsContact O-N 3.08Å
307L93.1Very high91.6Very high1 Ų173.1 Ų73.11%0.00537%0.372CS..Hα-helixtrans-65.5-42.9175.1-75.3173.3000111.3V295 L299 V302 T303 N304 S305 D309 Q310 I311 F328V295-L307 HydrophobicContact CG1-CD1 3.85Å; V295-L307 HydrophobicContact CG2-CD1 3.98Å; L299-L307 HydrophobicContact CD1-CD2 4.26Å; V302-L307 HydrophobicContact CB-CG 4.35Å; V302-L307 HydrophobicContact CG1-CD1 4.48Å; V302-L307 HydrophobicContact CG1-CD2 4.04Å; V302-L307 HydrophobicContact CG1-CG 3.72Å; T303-L307 PolarHBondContact O-N 3.05Å; T303-L307 VanDerWaalsContact O-N 3.13Å; N304-L307 PolarHBondContact O-N 3.42Å; S305-L307 PolarHBondContact O-N 3.46Å; L307-D309 PolarHBondContact O-N 2.88Å; L307-Q310 PolarHBondContact O-N 3.4Å; L307-I311 HydrophobicContact CB-CD1 4.49Å; L307-I311 WeakPolarHBondContact O-CB 3.17Å; L307-I311 WeakPolarHBondContact O-CD1 3.33Å; L307-I311 WeakPolarHBondContact O-CG1 3.33Å; L307-I311 PolarHBondContact O-N 3.43Å; L307-F328 HydrophobicContact CB-CE1 3.74Å; L307-F328 HydrophobicContact CB-CZ 4.26Å; L307-F328 HydrophobicContact CD1-CE1 4.24Å
308Q94.8Very high91.8Very high70 Ų7071.8 Ų71.833%0.32737%0.366SS..Hα-helixtrans-59.1-47.6178.3-172.4168.5-26.700111.6N304 S305 I311 S312 I326 F328N304-Q308 VanDerWaalsContact O-CB 3.3Å; N304-Q308 WeakPolarHBondContact O-CB 3.48Å; N304-Q308 PolarHBondContact O-N 3Å; S305-Q308 PolarHBondContact O-N 2.91Å; Q308-I311 PolarHBondContact O-N 3.26Å; Q308-S312 WeakPolarHBondContact O-CB 3.32Å; Q308-S312 PolarHBondContact O-N 3.33Å; Q308-S312 PolarHBondContact O-OG 3.04Å; Q308-I326 HydrophobicContact CG-CD1 4.22Å; Q308-F328 HydrophobicContact CB-CE2 4.2Å; Q308-F328 HydrophobicContact CB-CZ 3.82Å
309D94.2Very high91.9Very high95 Ų9569.3 Ų69.351%0.50836%0.356SS..Hα-helixtrans-62.6-46.3179.5-66-26.6000110.5S305 L307 I311 S312 E313S305-D309 WeakPolarHBondContact O-CB 3.38Å; S305-D309 PolarHBondContact O-N 3.28Å; L307-D309 PolarHBondContact O-N 2.88Å; D309-I311 PolarHBondContact O-N 2.97Å; D309-S312 PolarHBondContact O-N 3.09Å; D309-E313 WeakPolarHBondContact O-CB 3.19Å; D309-E313 PolarHBondContact O-N 3.48Å
310Q93.8Very high91.9Very high69 Ų6969.3 Ų69.332%0.32236%0.362SS..Hα-helixtrans-63.5-43.4-180-172.5179.216.900112.8I269 Q306 L307 R314I269-Q310 HydrophobicContact CD1-CG 4.09Å; I269-Q310 HydrophobicContact CG1-CG 4.32Å; Q306-Q310 WeakPolarHBondContact O-CB 3.35Å; Q306-Q310 PolarHBondContact O-N 2.86Å; Q306-Q310 VanDerWaalsContact O-N 3.08Å; L307-Q310 PolarHBondContact O-N 3.4Å; Q310-R314 WeakPolarHBondContact O-CG 3.39Å; Q310-R314 PolarHBondContact O-N 2.9Å
311I94.9Very high92.1Very high0 Ų068.7 Ų68.70%037%0.37CS..Hα-helixtrans-68.6-44.3178.7-64.2163.7000109.7L262 L266 I269 F291 L293 L307 Q308 D309 R314 F315 L324 I326L262-I311 HydrophobicContact CD1-CG2 4.25Å; L266-I311 HydrophobicContact CD2-CD1 3.74Å; L266-I311 HydrophobicContact CD2-CG1 3.95Å; L266-I311 HydrophobicContact CD2-CG2 4.29Å; I269-I311 HydrophobicContact CD1-CB 4.37Å; I269-I311 HydrophobicContact CD1-CG1 3.5Å; F291-I311 HydrophobicContact CZ-CG2 4.26Å; L293-I311 HydrophobicContact CD1-CD1 4.25Å; L293-I311 HydrophobicContact CD2-CD1 3.53Å; L307-I311 HydrophobicContact CB-CD1 4.49Å; L307-I311 WeakPolarHBondContact O-CB 3.17Å; L307-I311 WeakPolarHBondContact O-CD1 3.33Å; L307-I311 WeakPolarHBondContact O-CG1 3.33Å; L307-I311 PolarHBondContact O-N 3.43Å; Q308-I311 PolarHBondContact O-N 3.26Å; D309-I311 PolarHBondContact O-N 2.97Å; I311-R314 PolarHBondContact O-N 3.33Å; I311-F315 VanDerWaalsContact O-CB 3.28Å; I311-F315 WeakPolarHBondContact O-CB 3.37Å; I311-F315 PolarHBondContact O-N 3.43Å; I311-L324 HydrophobicContact CG2-CD1 3.74Å; I311-I326 HydrophobicContact CB-CD1 4.2Å; I311-I326 HydrophobicContact CD1-CD1 4.03Å; I311-I326 HydrophobicContact CG2-CD1 4.15Å
312S94Very high92.3Very high21 Ų2160 Ų6015%0.14733%0.333CS..Hα-helixtrans-63.2-45.2-179.8-580000112Q308 D309 F315 I316Q308-S312 WeakPolarHBondContact O-CB 3.32Å; Q308-S312 PolarHBondContact O-N 3.33Å; Q308-S312 PolarHBondContact O-OG 3.04Å; D309-S312 PolarHBondContact O-N 3.09Å; S312-F315 PolarHBondContact O-N 2.63Å; S312-I316 WeakPolarHBondContact O-CB 3.25Å; S312-I316 WeakPolarHBondContact O-CD1 3.45Å; S312-I316 WeakPolarHBondContact O-CG1 3.34Å; S312-I316 PolarHBondContact O-N 2.93Å
313E94Very high92.5Very high146 Ų14664.1 Ų64.168%0.68235%0.348SS*.Hα-helixtrans-60.8-47.9177.6-174.6-179.6-167.400111.4D309 S317D309-E313 WeakPolarHBondContact O-CB 3.19Å; D309-E313 PolarHBondContact O-N 3.48Å; E313-S317 WeakPolarHBondContact O-CB 3.34Å; E313-S317 PolarHBondContact O-N 3.36Å; E313-S317 PolarHBondContact O-OG 3.49Å
314R94Very high92.6Very high77 Ų7761.2 Ų61.229%0.29133%0.33SS..Hα-helixtrans-63.9-43.4178.2-74-170.7-180-167.12.4112I265 D268 Q310 I311 S317 Q318I265-R314 HydrophobicContact CG2-CB 3.67Å; D268-R314 PolarHBondContact O-NH1 3.4Å; Q310-R314 WeakPolarHBondContact O-CG 3.39Å; Q310-R314 PolarHBondContact O-N 2.9Å; I311-R314 PolarHBondContact O-N 3.33Å; R314-S317 PolarHBondContact O-N 2.99Å; R314-S317 PolarHBondContact O-OG 2.91Å; R314-Q318 WeakPolarHBondContact O-CG 3.45Å; R314-Q318 PolarHBondContact O-N 3.5Å; R314-Q318 VanDerWaalsContact O-N 3.1Å
315F93.5Very high92.6Very high2 Ų260.2 Ų60.21%0.00933%0.328CS..Hα-helixtrans-62.6-48.9178.7-168.7-84.5000111.9I258 L262 I265 I289 I311 S312 S317 Q318 S319 A322 L324I258-F315 HydrophobicContact CG2-CE2 4.04Å; I258-F315 HydrophobicContact CG2-CZ 4.03Å; L262-F315 HydrophobicContact CD1-CD2 4.33Å; I265-F315 HydrophobicContact CD1-CB 3.99Å; I265-F315 HydrophobicContact CD1-CD2 3.66Å; I265-F315 HydrophobicContact CD1-CG 4.21Å; I289-F315 HydrophobicContact CD1-CD1 4.42Å; I289-F315 HydrophobicContact CD1-CE1 3.43Å; I289-F315 VanDerWaalsContact CD1-CE1 3.43Å; I289-F315 HydrophobicContact CD1-CE2 4.28Å; I289-F315 HydrophobicContact CD1-CZ 3.34Å; I311-F315 VanDerWaalsContact O-CB 3.28Å; I311-F315 WeakPolarHBondContact O-CB 3.37Å; I311-F315 PolarHBondContact O-N 3.43Å; S312-F315 PolarHBondContact O-N 2.63Å; F315-S317 VanDerWaalsContact C-N 3.26Å; F315-S317 PolarHBondContact O-N 3.41Å; F315-Q318 PolarHBondContact O-N 2.85Å; F315-S319 WeakPolarHBondContact O-CB 3.25Å; F315-S319 PolarHBondContact O-N 3.31Å; F315-A322 HydrophobicContact CD1-CB 4.13Å; F315-A322 HydrophobicContact CE1-CB 3.71Å; F315-L324 HydrophobicContact CB-CD1 3.85Å; F315-L324 HydrophobicContact CD1-CD2 3.96Å; F315-L324 HydrophobicContact CE1-CD2 4.26Å; F315-L324 HydrophobicContact CG-CD1 4.13Å; F315-L324 HydrophobicContact CG-CD2 4.11Å
316I92.7Very high92.7Very high81 Ų8157.6 Ų57.642%0.41531%0.308SS..Hα-helixtrans-61.1-39.4179.3-67.2165.7000110.8S312 G320S312-I316 WeakPolarHBondContact O-CB 3.25Å; S312-I316 WeakPolarHBondContact O-CD1 3.45Å; S312-I316 WeakPolarHBondContact O-CG1 3.34Å; S312-I316 PolarHBondContact O-N 2.93Å; I316-G320 WeakPolarHBondContact CA-O 3.08Å; I316-G320 PolarHBondContact O-N 3.01Å
317S91.3Very high92.7Very high91 Ų9156.3 Ų56.364%0.63631%0.307SS*.Hα-helixtrans-67.9-31.8179.374.60000114.4E313 R314 F315E313-S317 WeakPolarHBondContact O-CB 3.34Å; E313-S317 PolarHBondContact O-N 3.36Å; E313-S317 PolarHBondContact O-OG 3.49Å; R314-S317 PolarHBondContact O-N 2.99Å; R314-S317 PolarHBondContact O-OG 2.91Å; F315-S317 VanDerWaalsContact C-N 3.26Å; F315-S317 PolarHBondContact O-N 3.41Å
318Q89.5Confident92.7Very high79 Ų7957.9 Ų57.937%0.36931%0.314SS..Hα-helixtrans-100.9-33.5-173.3-66-177.528.600113.4R314 F315R314-Q318 WeakPolarHBondContact O-CG 3.45Å; R314-Q318 PolarHBondContact O-N 3.5Å; R314-Q318 VanDerWaalsContact O-N 3.1Å; F315-Q318 PolarHBondContact O-N 2.85Å
319S89Confident92.2Very high41 Ų4155.9 Ų55.929%0.28731%0.306SS..Hα-helixtrans-119.4-6.1-168.3-50.30000113.8E261 F315E261-S319 PolarHBondContact OE2-OG 3.05Å; F315-S319 WeakPolarHBondContact O-CB 3.25Å; F315-S319 PolarHBondContact O-N 3.31Å
320G87Confident91.5Very high27 Ų2754 Ų5428%0.27829%0.291SS..  trans99.1177.3178.900000114I316 A322I316-G320 WeakPolarHBondContact CA-O 3.08Å; I316-G320 PolarHBondContact O-N 3.01Å; G320-A322 PolarHBondContact O-N 2.83Å
321P89.2Confident90Very high102 Ų10253.8 Ų53.866%0.66230%0.295SS*.SBendtrans-67.8116.7-17327.7-34.3000111.7P286P286-P321 HydrophobicContact CB-CB 4.3Å; P286-P321 WeakPolarHBondContact CB-O 3.29Å
322A92.1Very high88.2Confident6 Ų658.2 Ų58.25%0.0531%0.313CS..  trans-144.5152.1172.800000109.6E287 I289 F315 G320E287-A322 HydrophobicContact CG-CB 4.26Å; E287-A322 WeakPolarHBondContact O-CA 3.48Å; I289-A322 HydrophobicContact CD1-CB 3.63Å; I289-A322 HydrophobicContact CG1-CB 4.22Å; F315-A322 HydrophobicContact CD1-CB 4.13Å; F315-A322 HydrophobicContact CE1-CB 3.71Å; G320-A322 PolarHBondContact O-N 2.83Å
323K93.2Very high86.1Confident129 Ų12960.6 Ų60.656%0.56132%0.323SS*.EExtended strand (participates in β ladder)trans-94.6117.8169.9-177.2-176.6177.6-171.30108.6E287 T288 I289E287-K323 PolarHBondContact O-N 3.28Å; T288-K323 CarbonylContact C-O 3.37Å; T288-K323 VanDerWaalsContact CA-O 3.27Å; T288-K323 WeakPolarHBondContact CA-O 3.39Å; T288-K323 HydrophobicContact CG2-CB 4.33Å; T288-K323 HydrophobicContact CG2-CD 4.26Å; T288-K323 HydrophobicContact CG2-CG 4.31Å; I289-K323 PolarHBondContact N-O 3.48Å
324L94.7Very high83.7Confident9 Ų958.3 Ų58.35%0.04732%0.315CS..EExtended strand (participates in β ladder)trans-88.7128.3173.8-54.3-169.8000110.3I289 F291 I311 F315 I326I289-L324 HydrophobicContact CB-CD2 3.81Å; I289-L324 HydrophobicContact CD1-CD2 3.86Å; I289-L324 HydrophobicContact CG1-CD2 4.29Å; I289-L324 HydrophobicContact CG2-CD2 4.36Å; I289-L324 WeakPolarHBondContact O-CA 3.46Å; F291-L324 HydrophobicContact CE1-CB 4.4Å; F291-L324 HydrophobicContact CE1-CD1 4.32Å; F291-L324 HydrophobicContact CE1-CD2 4.36Å; F291-L324 HydrophobicContact CZ-CD1 4.48Å; I311-L324 HydrophobicContact CG2-CD1 3.74Å; F315-L324 HydrophobicContact CB-CD1 3.85Å; F315-L324 HydrophobicContact CD1-CD2 3.96Å; F315-L324 HydrophobicContact CE1-CD2 4.26Å; F315-L324 HydrophobicContact CG-CD1 4.13Å; F315-L324 HydrophobicContact CG-CD2 4.11Å; L324-I326 HydrophobicContact CB-CD1 4.47Å; L324-I326 HydrophobicContact CB-CG1 4.2Å
325S94.3Very high83.2Confident43 Ų4357.4 Ų57.430%0.30132%0.316SS..EExtended strand (participates in β ladder)trans-115.996.9172.6-177.90000108.5I289 Y290 F291I289-S325 PolarHBondContact O-N 3.37Å; Y290-S325 WeakPolarHBondContact CA-O 3.29Å; Y290-S325 WeakPolarHBondContact CD1-OG 3.37Å; F291-S325 PolarHBondContact N-O 3.02Å
326I95.2Very high82.6Confident15 Ų1560.3 Ų60.38%0.07733%0.333CS..EExtended strand (participates in β ladder)trans-99.9121.7-171.3-48.7-176.7000109.7F291 L293 Q308 I311 L324 F328F291-I326 HydrophobicContact CD2-CG2 4.35Å; F291-I326 HydrophobicContact CE1-CD1 4.31Å; F291-I326 HydrophobicContact CE1-CG1 3.89Å; F291-I326 HydrophobicContact CE2-CB 4.46Å; F291-I326 HydrophobicContact CE2-CD1 4.08Å; F291-I326 HydrophobicContact CE2-CG1 3.99Å; F291-I326 HydrophobicContact CE2-CG2 3.86Å; F291-I326 HydrophobicContact CZ-CB 4.42Å; F291-I326 HydrophobicContact CZ-CD1 3.53Å; F291-I326 HydrophobicContact CZ-CG1 3.49Å; F291-I326 VanDerWaalsContact CZ-CG1 3.49Å; F291-I326 HydrophobicContact CZ-CG2 4.27Å; F291-I326 WeakPolarHBondContact O-CA 3.37Å; L293-I326 HydrophobicContact CB-CG2 3.49Å; L293-I326 VanDerWaalsContact CB-CG2 3.49Å; L293-I326 HydrophobicContact CD2-CG2 4.25Å; L293-I326 HydrophobicContact CG-CG2 4.47Å; Q308-I326 HydrophobicContact CG-CD1 4.22Å; I311-I326 HydrophobicContact CB-CD1 4.2Å; I311-I326 HydrophobicContact CD1-CD1 4.03Å; I311-I326 HydrophobicContact CG2-CD1 4.15Å; L324-I326 HydrophobicContact CB-CD1 4.47Å; L324-I326 HydrophobicContact CB-CG1 4.2Å; I326-F328 HydrophobicContact CB-CE2 3.9Å; I326-F328 HydrophobicContact CB-CZ 4.06Å; I326-F328 HydrophobicContact CD1-CZ 4.41Å; I326-F328 HydrophobicContact CG2-CD1 4.39Å; I326-F328 HydrophobicContact CG2-CD2 4.23Å; I326-F328 HydrophobicContact CG2-CE1 4.08Å; I326-F328 HydrophobicContact CG2-CE2 3.91Å; I326-F328 HydrophobicContact CG2-CG 4.46Å; I326-F328 HydrophobicContact CG2-CZ 3.82Å
327T93.1Very high82.1Confident78 Ų7859.1 Ų59.148%0.47933%0.328SS..EExtended strand (participates in β ladder)trans-85.6128.3162.1-40.30000107.4F291 D292 L293F291-T327 PolarHBondContact O-N 3.49Å; F291-T327 VanDerWaalsContact O-N 3.11Å; D292-T327 CarbonylContact C-O 3.59Å; D292-T327 WeakPolarHBondContact CA-O 3.5Å; D292-T327 VanDerWaalsContact CG-CB 3.48Å; D292-T327 WeakPolarHBondContact OD1-CB 3.33Å; D292-T327 PolarHBondContact OD1-OG1 3.44Å; L293-T327 PolarHBondContact N-O 3.46Å
328F91.6Very high81.5Confident34 Ų3457.2 Ų57.215%0.14931%0.31CS..EExtended strand (participates in β ladder)trans-95.2109.7-178-72.7-89000110L293 V295 N304 L307 Q308 I326 R330L293-F328 HydrophobicContact CD2-CD1 3.91Å; L293-F328 HydrophobicContact CD2-CE1 3.61Å; V295-F328 HydrophobicContact CG2-CD1 3.89Å; N304-F328 HydrophobicContact CB-CD1 4.18Å; N304-F328 HydrophobicContact CB-CD2 3.64Å; N304-F328 HydrophobicContact CB-CE1 4.3Å; N304-F328 HydrophobicContact CB-CE2 3.77Å; N304-F328 HydrophobicContact CB-CG 3.85Å; N304-F328 HydrophobicContact CB-CZ 4.11Å; N304-F328 WeakPolarHBondContact ND2-CB 3.38Å; N304-F328 WeakPolarHBondContact O-CZ 3.41Å; L307-F328 HydrophobicContact CB-CE1 3.74Å; L307-F328 HydrophobicContact CB-CZ 4.26Å; L307-F328 HydrophobicContact CD1-CE1 4.24Å; Q308-F328 HydrophobicContact CB-CE2 4.2Å; Q308-F328 HydrophobicContact CB-CZ 3.82Å; I326-F328 HydrophobicContact CB-CE2 3.9Å; I326-F328 HydrophobicContact CB-CZ 4.06Å; I326-F328 HydrophobicContact CD1-CZ 4.41Å; I326-F328 HydrophobicContact CG2-CD1 4.39Å; I326-F328 HydrophobicContact CG2-CD2 4.23Å; I326-F328 HydrophobicContact CG2-CE1 4.08Å; I326-F328 HydrophobicContact CG2-CE2 3.91Å; I326-F328 HydrophobicContact CG2-CG 4.46Å; I326-F328 HydrophobicContact CG2-CZ 3.82Å; F328-R330 PolarHBondContact O-N 3.15Å
329D85.3Confident81Confident28 Ų2855.9 Ų55.915%0.1531%0.306CS..EExtended strand (participates in β ladder)trans-87.7105.7168.3-171.818.4000110L293 V295 T331L293-D329 PolarHBondContact O-N 3.37Å; V295-D329 PolarHBondContact N-O 3.42Å; D329-T331 WeakPolarHBondContact OD1-CB 3.3Å; D329-T331 PolarHBondContact OD1-N 2.96Å; D329-T331 PolarHBondContact OD1-OG1 2.88Å
330R79.6Confident80.5Confident55 Ų5556.9 Ų56.921%0.20831%0.307CS..  trans-10518.1173.2-68.5-168.7178.4-123.9-10.5111.6V295 K300 V302 N304 F328 Y332V295-R330 HydrophobicContact CB-CG 4.17Å; V295-R330 HydrophobicContact CG2-CG 4.44Å; K300-R330 PolarHBondContact O-NH1 3.37Å; V302-R330 VanDerWaalsContact O-CZ 3.31Å; V302-R330 PolarHBondContact O-NH1 2.97Å; V302-R330 VanDerWaalsContact O-NH1 3.13Å; V302-R330 PolarHBondContact O-NH2 3.25Å; N304-R330 PolarHBondContact OD1-NE 3.44Å; N304-R330 PolarHBondContact OD1-NH2 3.42Å; F328-R330 PolarHBondContact O-N 3.15Å; R330-Y332 VanDerWaalsContact C-N 3.28Å; R330-Y332 WeakPolarHBondContact O-CD2 3.48Å; R330-Y332 PolarHBondContact O-N 3.04Å
331T61.9Low80Confident66 Ų6659 Ų5941%0.40531%0.309SS..  trans-65.798.8173.2-480000105.8L196 D329 L333L196-T331 HydrophobicContact CD2-CG2 4.04Å; D329-T331 WeakPolarHBondContact OD1-CB 3.3Å; D329-T331 PolarHBondContact OD1-N 2.96Å; D329-T331 PolarHBondContact OD1-OG1 2.88Å; T331-L333 HydrophobicContact CG2-CB 3.79Å; T331-L333 HydrophobicContact CG2-CD1 3.49Å; T331-L333 VanDerWaalsContact CG2-CD1 3.49Å; T331-L333 HydrophobicContact CG2-CG 3.67Å; T331-L333 PolarHBondContact O-N 2.87Å
332Y56.7Low79.3Confident93 Ų9355.7 Ų55.737%0.36528%0.282SS..  trans-67.121.7179.5-56.3-65.6000112.4E297 K300 R330 L334E297-Y332 HydrophobicContact CB-CD1 3.83Å; E297-Y332 HydrophobicContact CB-CE1 4.19Å; E297-Y332 HydrophobicContact CG-CD1 3.75Å; E297-Y332 HydrophobicContact CG-CE1 4Å; E297-Y332 HydrophobicContact CG-CG 4.24Å; K300-Y332 WeakPolarHBondContact CB-OH 3.38Å; R330-Y332 VanDerWaalsContact C-N 3.28Å; R330-Y332 WeakPolarHBondContact O-CD2 3.48Å; R330-Y332 PolarHBondContact O-N 3.04Å; Y332-L334 PolarHBondContact O-N 3.21Å
333L50.5Low78.2Confident71 Ų7159.8 Ų59.837%0.37230%0.302SS..  trans-9582.4179.5-58.6174.9000106.8R170 L196 T331R170-L333 HydrophobicContact CG-CD2 4.44Å; L196-L333 HydrophobicContact CD2-CB 4.16Å; L196-L333 HydrophobicContact CD2-CD1 3.49Å; L196-L333 VanDerWaalsContact CD2-CD1 3.49Å; L196-L333 HydrophobicContact CD2-CG 4.44Å; T331-L333 HydrophobicContact CG2-CB 3.79Å; T331-L333 HydrophobicContact CG2-CD1 3.49Å; T331-L333 VanDerWaalsContact CG2-CD1 3.49Å; T331-L333 HydrophobicContact CG2-CG 3.67Å; T331-L333 PolarHBondContact O-N 2.87Å
334L42.8Very low76.9Confident97 Ų9753.5 Ų53.551%0.50828%0.278SS..  trans78.20158.6-56.7156.9000119.8V176 R180 Y332V176-L334 HydrophobicContact CB-CD1 4.05Å; V176-L334 HydrophobicContact CB-CD2 4.35Å; V176-L334 HydrophobicContact CG1-CD1 3.35Å; V176-L334 HydrophobicContact CG1-CD2 3.69Å; V176-L334 HydrophobicContact CG1-CG 4.05Å; V176-L334 HydrophobicContact CG2-CD1 3.5Å; V176-L334 VanDerWaalsContact CG2-CD1 3.5Å; V176-L334 HydrophobicContact CG2-CD2 4.08Å; V176-L334 HydrophobicContact CG2-CG 4.32Å; R180-L334 VanDerWaalsContact NH2-CB 3.27Å; R180-L334 PolarHBondContact NH2-O 3.24Å; Y332-L334 PolarHBondContact O-N 3.21Å

Retrieved 334 of 334 residues in 231.8 ms (Link to these results)

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