A0A077YZP3_TRITR Loading...

Actin maturation protease

AlphaFold DB , UniProt , Accession A0A077YZP3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 260 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M30.6Very low56.4Low238 Ų238122.7 Ų122.7100%1.17266%0.658SS**  0108.60-72.5179.9-165.300107.1T3M1-T3 PolarHBondContact O-N 2.96Å; M1-T3 VanDerWaalsContact O-N 3.11Å
2A28.5Very low59.3Low106 Ų106112.8 Ų112.888%0.87661%0.606SS**  trans-74.897.5173.100000107L4A2-L4 PolarHBondContact O-N 3.13Å
3T28.1Very low61.9Low122 Ų122105.8 Ų105.875%0.74857%0.573SS**  trans-52.3128.2172.6-20.70000107.5M1 R5M1-T3 PolarHBondContact O-N 2.96Å; M1-T3 VanDerWaalsContact O-N 3.11Å; T3-R5 VanDerWaalsContact C-N 3.33Å; T3-R5 PolarHBondContact O-N 2.65Å
4L29.7Very low64.3Low152 Ų152107.9 Ų107.980%0.79658%0.577SS**  trans-51.6104.4167.3-92.5104.3000106.8A2 H6A2-L4 PolarHBondContact O-N 3.13Å; L4-H6 VanDerWaalsContact C-N 3.32Å; L4-H6 PolarHBondContact O-N 3.1Å
5R40.1Very low66.3Low180 Ų180102.2 Ų102.268%0.67955%0.548SS*.  trans-66.999.5172.5-76.7-175.7176.5-147.6-1.7105.5T3 E7 D179T3-R5 VanDerWaalsContact C-N 3.33Å; T3-R5 PolarHBondContact O-N 2.65Å; R5-E7 PolarHBondContact O-N 3.01Å; R5-D179 IonicContact NH1-OD2 3.33Å; R5-D179 PolarHBondContact NH1-OD2 3.44Å
6H51.9Low68.2Low136 Ų13695.8 Ų95.863%0.6351%0.513SS*.PPolyproline II helixtrans-57.8122.2175.3-85.4-78.9000108.4L4L4-H6 VanDerWaalsContact C-N 3.32Å; L4-H6 PolarHBondContact O-N 3.1Å
7E69.4Low69.8Low160 Ų16091.6 Ų91.675%0.74849%0.493SS*.PPolyproline II helixtrans-66.2150.2169.5-68-174.8151.800109.2R5 D9R5-E7 PolarHBondContact O-N 3.01Å; E7-D9 PolarHBondContact O-N 3.14Å
8I79Confident71.2Confident34 Ų3489.9 Ų89.917%0.17449%0.489CS..PPolyproline II helixtrans-49.1131.2173.5-63.5168000108.5A10 T12 A13 M37 W176I8-A10 PolarHBondContact O-N 2.73Å; I8-T12 HydrophobicContact CG2-CG2 3.91Å; I8-A13 HydrophobicContact CG2-CB 4.05Å; I8-M37 HydrophobicContact CB-CE 4.26Å; I8-M37 HydrophobicContact CD1-CB 3.85Å; I8-M37 HydrophobicContact CD1-CE 3.93Å; I8-M37 HydrophobicContact CG1-CE 3.84Å; I8-M37 HydrophobicContact CG2-CE 3.46Å; I8-M37 VanDerWaalsContact CG2-CE 3.46Å; I8-W176 HydrophobicContact CD1-CE3 3.78Å; I8-W176 HydrophobicContact CD1-CH2 4.1Å; I8-W176 HydrophobicContact CD1-CZ3 3.37Å
9D85.1Confident72.5Confident64 Ų6489 Ų8934%0.34248%0.478SS..PPolyproline II helixtrans-60.1143.3-17981.984.5000111.1E7 L11 T12 A13E7-D9 PolarHBondContact O-N 3.14Å; D9-L11 VanDerWaalsContact C-N 3.25Å; D9-L11 PolarHBondContact O-N 3.2Å; D9-L11 WeakPolarHBondContact OD1-CB 3.37Å; D9-L11 PolarHBondContact OD1-N 2.91Å; D9-L11 VanDerWaalsContact OD1-N 3.14Å; D9-T12 VanDerWaalsContact CG-OG1 3.23Å; D9-T12 PolarHBondContact O-N 3.09Å; D9-T12 VanDerWaalsContact O-N 3.16Å; D9-T12 PolarHBondContact OD1-N 3.24Å; D9-T12 PolarHBondContact OD1-OG1 2.9Å; D9-T12 WeakPolarHBondContact OD2-CB 3.28Å; D9-T12 PolarHBondContact OD2-OG1 2.85Å; D9-A13 PolarHBondContact O-N 2.87Å
10A87.6Confident73.6Confident82 Ų8284.6 Ų84.668%0.67845%0.454SS*.Hα-helixtrans-59.1-35.5-170.500000113.2I8 A13 E14I8-A10 PolarHBondContact O-N 2.73Å; A10-A13 PolarHBondContact O-N 3.27Å; A10-E14 WeakPolarHBondContact O-CB 3.22Å; A10-E14 PolarHBondContact O-N 2.94Å
11L89.9Confident74.6Confident76 Ų7684.4 Ų84.440%0.39845%0.453SS..Hα-helixtrans-70.5-41.2-179.2-179.365000111.2D9 T15 Y208D9-L11 VanDerWaalsContact C-N 3.25Å; D9-L11 PolarHBondContact O-N 3.2Å; D9-L11 WeakPolarHBondContact OD1-CB 3.37Å; D9-L11 PolarHBondContact OD1-N 2.91Å; D9-L11 VanDerWaalsContact OD1-N 3.14Å; L11-T15 WeakPolarHBondContact O-CB 3.15Å; L11-T15 PolarHBondContact O-N 2.93Å; L11-T15 PolarHBondContact O-OG1 3.21Å; L11-Y208 HydrophobicContact CD1-CE1 4.25Å; L11-Y208 HydrophobicContact CD2-CE1 4.16Å; L11-Y208 HydrophobicContact CG-CE1 4.22Å
12T92.1Very high77.5Confident4 Ų478.1 Ų78.13%0.02542%0.421CS..Hα-helixtrans-62.3-46.7172.9-67.60000110.7I8 D9 E14 T15 V16 M37 P43 P209I8-T12 HydrophobicContact CG2-CG2 3.91Å; D9-T12 VanDerWaalsContact CG-OG1 3.23Å; D9-T12 PolarHBondContact O-N 3.09Å; D9-T12 VanDerWaalsContact O-N 3.16Å; D9-T12 PolarHBondContact OD1-N 3.24Å; D9-T12 PolarHBondContact OD1-OG1 2.9Å; D9-T12 WeakPolarHBondContact OD2-CB 3.28Å; D9-T12 PolarHBondContact OD2-OG1 2.85Å; T12-E14 PolarHBondContact O-N 3.47Å; T12-T15 PolarHBondContact O-N 3.22Å; T12-V16 WeakPolarHBondContact O-CG2 3.33Å; T12-V16 PolarHBondContact O-N 3.01Å; T12-M37 HydrophobicContact CG2-CE 3.45Å; T12-M37 VanDerWaalsContact CG2-CE 3.45Å; T12-M37 HydrophobicContact CG2-SD 4.08Å; T12-P43 WeakPolarHBondContact OG1-CG 3.36Å; T12-P209 HydrophobicContact CG2-CG 3.74Å
13A93Very high80.6Confident22 Ų2274.7 Ų74.718%0.18239%0.388CS..Hα-helixtrans-60.9-43.6178.200000112.1I8 D9 A10 S17 W176I8-A13 HydrophobicContact CG2-CB 4.05Å; D9-A13 PolarHBondContact O-N 2.87Å; A10-A13 PolarHBondContact O-N 3.27Å; A13-S17 VanDerWaalsContact O-CB 3.26Å; A13-S17 WeakPolarHBondContact O-CB 3.2Å; A13-S17 PolarHBondContact O-N 3.41Å; A13-S17 PolarHBondContact O-OG 2.9Å; A13-W176 HydrophobicContact CB-CZ2 4.08Å
14E94.6Very high83.5Confident135 Ų13569 Ų6963%0.63135%0.353SS*.Hα-helixtrans-63-46.2176.9-176.4-180-170.600111.5A10 T12 S17 S18A10-E14 WeakPolarHBondContact O-CB 3.22Å; A10-E14 PolarHBondContact O-N 2.94Å; T12-E14 PolarHBondContact O-N 3.47Å; E14-S17 PolarHBondContact O-N 2.74Å; E14-S18 WeakPolarHBondContact O-CB 3.34Å; E14-S18 PolarHBondContact O-N 3.05Å
15T95.1Very high86.2Confident22 Ų2265.8 Ų65.814%0.13534%0.343CS..Hα-helixtrans-60-50179.8-61.80000111.6L11 T12 S17 S18 R19 Y208L11-T15 WeakPolarHBondContact O-CB 3.15Å; L11-T15 PolarHBondContact O-N 2.93Å; L11-T15 PolarHBondContact O-OG1 3.21Å; T12-T15 PolarHBondContact O-N 3.22Å; T15-S17 VanDerWaalsContact C-N 3.35Å; T15-S18 PolarHBondContact O-N 3.14Å; T15-R19 PolarHBondContact O-N 2.66Å; T15-R19 VanDerWaalsContact O-N 3.13Å; T15-Y208 HydrophobicContact CG2-CD1 3.93Å; T15-Y208 HydrophobicContact CG2-CG 4.24Å; T15-Y208 WeakPolarHBondContact OG1-CD1 3.24Å
16V96.2Very high88.4Confident0 Ų064.8 Ų64.80%035%0.348CS..Hα-helixtrans-62.9-44.6178.5172.20000110T12 S18 R19 A20 L35 W176 I200 P209 I211T12-V16 WeakPolarHBondContact O-CG2 3.33Å; T12-V16 PolarHBondContact O-N 3.01Å; V16-S18 VanDerWaalsContact C-N 3.34Å; V16-S18 PolarHBondContact O-N 3.14Å; V16-R19 PolarHBondContact O-N 2.67Å; V16-A20 WeakPolarHBondContact O-CB 3.48Å; V16-A20 PolarHBondContact O-N 3.31Å; V16-L35 HydrophobicContact CG1-CD1 3.94Å; V16-L35 HydrophobicContact CG1-CD2 3.55Å; V16-L35 HydrophobicContact CG1-CG 4.34Å; V16-W176 HydrophobicContact CB-CH2 3.91Å; V16-W176 HydrophobicContact CB-CZ2 3.84Å; V16-W176 HydrophobicContact CG1-CH2 3.67Å; V16-W176 HydrophobicContact CG1-CZ2 3.77Å; V16-W176 HydrophobicContact CG2-CH2 4.4Å; V16-I200 HydrophobicContact CG1-CD1 3.78Å; V16-I200 HydrophobicContact CG2-CG2 4.17Å; V16-P209 HydrophobicContact CG2-CB 3.81Å; V16-P209 HydrophobicContact CG2-CG 3.8Å; V16-I211 HydrophobicContact CG1-CD1 3.98Å; V16-I211 WeakPolarHBondContact O-CD1 3.3Å
17S96Very high89.7Confident24 Ų2459.5 Ų59.517%0.16833%0.328CS..Hα-helixtrans-62.3-40.7179.4-56.60000112.3A13 E14 T15 A20 N21 L174 W176A13-S17 VanDerWaalsContact O-CB 3.26Å; A13-S17 WeakPolarHBondContact O-CB 3.2Å; A13-S17 PolarHBondContact O-N 3.41Å; A13-S17 PolarHBondContact O-OG 2.9Å; E14-S17 PolarHBondContact O-N 2.74Å; T15-S17 VanDerWaalsContact C-N 3.35Å; S17-A20 PolarHBondContact O-N 3.3Å; S17-N21 WeakPolarHBondContact O-CB 3.46Å; S17-N21 PolarHBondContact O-N 3.3Å; S17-N21 PolarHBondContact O-ND2 2.92Å; S17-L174 WeakPolarHBondContact O-CD2 3.36Å; S17-W176 PolarHBondContact OG-NE1 2.93Å
18S95.5Very high89.6Confident61 Ų6158 Ų5843%0.42733%0.325SS..Hα-helixtrans-61.5-47.6176.7-177.60000111.7E14 T15 V16 A20 N21 Q22E14-S18 WeakPolarHBondContact O-CB 3.34Å; E14-S18 PolarHBondContact O-N 3.05Å; T15-S18 PolarHBondContact O-N 3.14Å; V16-S18 VanDerWaalsContact C-N 3.34Å; V16-S18 PolarHBondContact O-N 3.14Å; S18-A20 PolarHBondContact O-N 2.94Å; S18-N21 PolarHBondContact O-N 3.34Å; S18-Q22 WeakPolarHBondContact O-CG 3.26Å; S18-Q22 PolarHBondContact O-N 3.37Å; S18-Q22 VanDerWaalsContact O-N 3.08Å
19R95.4Very high88.9Confident73 Ų7359 Ų5928%0.27534%0.343SS..Hα-helixtrans-63.4-41.8176.1-70.6-177.8178.3-82.11.7112.4T15 V16 N21 Q22 I23 P209 I211T15-R19 PolarHBondContact O-N 2.66Å; T15-R19 VanDerWaalsContact O-N 3.13Å; V16-R19 PolarHBondContact O-N 2.67Å; R19-N21 PolarHBondContact O-N 2.87Å; R19-Q22 WeakPolarHBondContact O-CB 3.26Å; R19-Q22 PolarHBondContact O-N 3.16Å; R19-I23 WeakPolarHBondContact O-CG1 3.39Å; R19-I23 PolarHBondContact O-N 2.85Å; R19-I23 VanDerWaalsContact O-N 3.08Å; R19-P209 VanDerWaalsContact CD-O 3.3Å; R19-P209 WeakPolarHBondContact CD-O 3.07Å; R19-P209 PolarHBondContact NE-O 2.93Å; R19-I211 HydrophobicContact CB-CD1 3.9Å; R19-I211 HydrophobicContact CB-CG1 4.12Å
20A95.2Very high88.3Confident0 Ų058.3 Ų58.30%034%0.343CS..Hα-helixtrans-62-44177.800000111.3V16 S17 S18 Q22 I23 L24 L35 F161 L174 I211V16-A20 WeakPolarHBondContact O-CB 3.48Å; V16-A20 PolarHBondContact O-N 3.31Å; S17-A20 PolarHBondContact O-N 3.3Å; S18-A20 PolarHBondContact O-N 2.94Å; A20-Q22 VanDerWaalsContact C-N 3.32Å; A20-Q22 PolarHBondContact O-N 3.27Å; A20-I23 PolarHBondContact O-N 3.26Å; A20-I23 VanDerWaalsContact O-N 3.17Å; A20-L24 WeakPolarHBondContact O-CG 3.2Å; A20-L24 PolarHBondContact O-N 3.43Å; A20-L35 HydrophobicContact CB-CD1 4.02Å; A20-L35 HydrophobicContact CB-CD2 4.14Å; A20-L35 HydrophobicContact CB-CG 4.38Å; A20-F161 HydrophobicContact CB-CD1 4.39Å; A20-F161 HydrophobicContact CB-CD2 4.15Å; A20-F161 HydrophobicContact CB-CE1 4.03Å; A20-F161 HydrophobicContact CB-CE2 3.79Å; A20-F161 HydrophobicContact CB-CG 4.43Å; A20-F161 HydrophobicContact CB-CZ 3.71Å; A20-L174 HydrophobicContact CB-CD1 3.74Å; A20-L174 HydrophobicContact CB-CD2 3.83Å; A20-L174 HydrophobicContact CB-CG 4.46Å; A20-I211 HydrophobicContact CB-CD1 3.8Å
21N93.2Very high88.1Confident81 Ų8154.5 Ų54.543%0.43331%0.312SS..Hα-helixtrans-62-37.5175.4-77.8-48.8000112.7S17 S18 R19 I23 L24 S25S17-N21 WeakPolarHBondContact O-CB 3.46Å; S17-N21 PolarHBondContact O-N 3.3Å; S17-N21 PolarHBondContact O-ND2 2.92Å; S18-N21 PolarHBondContact O-N 3.34Å; R19-N21 PolarHBondContact O-N 2.87Å; N21-I23 VanDerWaalsContact C-N 3.35Å; N21-L24 PolarHBondContact O-N 3.48Å; N21-S25 WeakPolarHBondContact O-CB 3.4Å; N21-S25 PolarHBondContact O-N 2.71Å
22Q92.6Very high88.1Confident106 Ų10652.7 Ų52.750%0.49530%0.303SS..Hα-helixtrans-60.6-45.3173.3-70.9173.8-5.100111.1S18 R19 A20 S25 M26S18-Q22 WeakPolarHBondContact O-CG 3.26Å; S18-Q22 PolarHBondContact O-N 3.37Å; S18-Q22 VanDerWaalsContact O-N 3.08Å; R19-Q22 WeakPolarHBondContact O-CB 3.26Å; R19-Q22 PolarHBondContact O-N 3.16Å; A20-Q22 VanDerWaalsContact C-N 3.32Å; A20-Q22 PolarHBondContact O-N 3.27Å; Q22-S25 PolarHBondContact O-N 3.34Å; Q22-S25 PolarHBondContact O-OG 3.42Å; Q22-M26 WeakPolarHBondContact O-CG 3.3Å; Q22-M26 PolarHBondContact O-N 2.82Å
23I92Very high88.2Confident34 Ų3452.5 Ų52.517%0.17430%0.302CS..Hα-helixtrans-62.4-47.5176.5-64.9166.6000111R19 A20 N21 S25 M26 A27 F161 F198 I211R19-I23 WeakPolarHBondContact O-CG1 3.39Å; R19-I23 PolarHBondContact O-N 2.85Å; R19-I23 VanDerWaalsContact O-N 3.08Å; A20-I23 PolarHBondContact O-N 3.26Å; A20-I23 VanDerWaalsContact O-N 3.17Å; N21-I23 VanDerWaalsContact C-N 3.35Å; I23-S25 VanDerWaalsContact C-N 3.28Å; I23-S25 PolarHBondContact O-N 3.3Å; I23-M26 PolarHBondContact O-N 3.36Å; I23-M26 VanDerWaalsContact O-N 3.07Å; I23-A27 WeakPolarHBondContact O-CB 3.36Å; I23-A27 PolarHBondContact O-N 2.75Å; I23-F161 HydrophobicContact CB-CE1 4.01Å; I23-F161 HydrophobicContact CD1-CD1 4.24Å; I23-F161 HydrophobicContact CD1-CE1 4.17Å; I23-F161 HydrophobicContact CG2-CE1 3.9Å; I23-F198 HydrophobicContact CG2-CE1 4.4Å; I23-F198 HydrophobicContact CG2-CE2 3.9Å; I23-F198 HydrophobicContact CG2-CZ 3.77Å; I23-I211 HydrophobicContact CD1-CB 3.91Å; I23-I211 HydrophobicContact CD1-CG2 3.48Å; I23-I211 VanDerWaalsContact CD1-CG2 3.48Å
24L90Very high88.3Confident4 Ų453.9 Ų53.92%0.02131%0.306CS..Hα-helixtrans-59.3-38.7177.8-68.1178.2000112.3A20 N21 M26 A27 A31 F161 V163 L174A20-L24 WeakPolarHBondContact O-CG 3.2Å; A20-L24 PolarHBondContact O-N 3.43Å; N21-L24 PolarHBondContact O-N 3.48Å; L24-M26 PolarHBondContact O-N 2.81Å; L24-A27 PolarHBondContact O-N 2.84Å; L24-A27 VanDerWaalsContact O-N 3.14Å; L24-A31 HydrophobicContact CD2-CB 3.93Å; L24-F161 HydrophobicContact CD1-CZ 4.42Å; L24-F161 HydrophobicContact CD2-CZ 3.88Å; L24-F161 HydrophobicContact CG-CZ 3.89Å; L24-V163 HydrophobicContact CD2-CB 4.48Å; L24-V163 HydrophobicContact CD2-CG1 3.74Å; L24-V163 HydrophobicContact CD2-CG2 4.04Å; L24-L174 HydrophobicContact CD1-CB 4.23Å; L24-L174 HydrophobicContact CD1-CD1 4.11Å
25S87Confident88.4Confident84 Ų8447.4 Ų47.459%0.58728%0.276SS*.Hα-helixtrans-64.2-28.5178.475.50000113N21 Q22 I23N21-S25 WeakPolarHBondContact O-CB 3.4Å; N21-S25 PolarHBondContact O-N 2.71Å; Q22-S25 PolarHBondContact O-N 3.34Å; Q22-S25 PolarHBondContact O-OG 3.42Å; I23-S25 VanDerWaalsContact C-N 3.28Å; I23-S25 PolarHBondContact O-N 3.3Å
26M86.2Confident88.5Confident159 Ų15947 Ų4778%0.78327%0.272SS*.Hα-helixtrans-82.5-29.8174.4-62.4177-172.600112.1Q22 I23 L24 N28Q22-M26 WeakPolarHBondContact O-CG 3.3Å; Q22-M26 PolarHBondContact O-N 2.82Å; I23-M26 PolarHBondContact O-N 3.36Å; I23-M26 VanDerWaalsContact O-N 3.07Å; L24-M26 PolarHBondContact O-N 2.81Å; M26-N28 VanDerWaalsContact C-N 3.32Å; M26-N28 PolarHBondContact O-N 2.77Å
27A78.3Confident88.4Confident25 Ų2547.2 Ų47.221%0.20727%0.273CS..SBendtrans-89.940-171.100000114.3I23 L24 L165I23-A27 WeakPolarHBondContact O-CB 3.36Å; I23-A27 PolarHBondContact O-N 2.75Å; L24-A27 PolarHBondContact O-N 2.84Å; L24-A27 VanDerWaalsContact O-N 3.14Å; A27-L165 HydrophobicContact CB-CD2 4.14Å
28N68Low88.3Confident128 Ų12847.2 Ų47.268%0.68427%0.27SS*.  trans66.6114.2-166.7-101.3-4.9000111.6M26 S30 A31M26-N28 VanDerWaalsContact C-N 3.32Å; M26-N28 PolarHBondContact O-N 2.77Å; N28-S30 PolarHBondContact O-N 2.82Å; N28-A31 PolarHBondContact O-N 2.97Å
29G64.3Low87.9Confident55 Ų5546.3 Ų46.357%0.56726%0.26SS*.THydrogen-bonded Turntrans-59.511.7-170.400000118.7
30S73.1Confident87.5Confident49 Ų4944.8 Ų44.834%0.34326%0.257SS..THydrogen-bonded Turntrans-113.2-1.2172.9-66.60000114N28 N168N28-S30 PolarHBondContact O-N 2.82Å; S30-N168 WeakPolarHBondContact CB-O 3.33Å; S30-N168 PolarHBondContact OG-O 3.47Å
31A83.2Confident87.3Confident3 Ų345.4 Ų45.43%0.02526%0.261CS..  trans-66.1140.4-178.700000111.9L24 N28 V163 D164 A172L24-A31 HydrophobicContact CD2-CB 3.93Å; N28-A31 PolarHBondContact O-N 2.97Å; A31-V163 HydrophobicContact CB-CG1 3.99Å; A31-D164 WeakPolarHBondContact CA-O 3.37Å; A31-D164 WeakPolarHBondContact CB-O 3.38Å; A31-A172 WeakPolarHBondContact O-CA 3.21Å; A31-A172 WeakPolarHBondContact O-CB 3.26Å
32N89.9Confident87.2Confident37 Ų3745.5 Ų45.520%0.19826%0.258CS..EExtended strand (participates in β ladder)trans-95.8146.4174.9-71.1-41.1000110.7V163 D164 N168 N173N32-V163 CarbonylContact O-C 3.4Å; N32-V163 WeakPolarHBondContact O-CA 3.33Å; N32-D164 HydrophobicContact CB-CB 4.37Å; N32-D164 PolarHBondContact N-O 3.45Å; N32-D164 PolarHBondContact O-N 3.45Å; N32-N168 PolarHBondContact ND2-ND2 3.23Å; N32-N173 CarbonylContact C-O 3.57Å; N32-N173 WeakPolarHBondContact CA-O 3.26Å; N32-N173 WeakPolarHBondContact OD1-CB 2.89Å; N32-N173 PolarHBondContact OD1-N 3.14Å
33G93.6Very high87.2Confident0 Ų041.9 Ų41.90%024%0.243CC..EExtended strand (participates in β ladder)trans-126.6134.4-177.900000112.6I162 N173 L174 Q175G33-I162 CarbonylContact C-O 3.57Å; G33-I162 WeakPolarHBondContact CA-O 3.5Å; G33-N173 PolarHBondContact N-O 2.9Å; G33-L174 CarbonylContact O-C 3.59Å; G33-L174 WeakPolarHBondContact O-CA 3.44Å; G33-Q175 PolarHBondContact O-N 3.17Å
34L95.4Very high87.4Confident51 Ų5141.6 Ų41.627%0.26724%0.244SC..EExtended strand (participates in β ladder)trans-114.5125.1170.9-55.9177.8000109.6F161 I162 Q175 I177 A185L34-F161 WeakPolarHBondContact O-CA 3.27Å; L34-I162 HydrophobicContact CB-CB 4.31Å; L34-I162 PolarHBondContact N-O 2.88Å; L34-I162 PolarHBondContact O-N 3.49Å; L34-Q175 CarbonylContact C-O 3.05Å; L34-Q175 WeakPolarHBondContact CA-O 3.35Å; L34-Q175 HydrophobicContact CD2-CB 4.07Å; L34-I177 HydrophobicContact CB-CD1 4Å; L34-I177 HydrophobicContact CB-CG1 4.36Å; L34-I177 HydrophobicContact CB-CG2 4.4Å; L34-I177 HydrophobicContact CD1-CD1 4.44Å; L34-I177 HydrophobicContact CD2-CG2 3.96Å; L34-A185 HydrophobicContact CD1-CB 3.76Å
35L96.7Very high87.6Confident0 Ų046.1 Ų46.10%027%0.267CS..EExtended strand (participates in β ladder)trans-106126.3177.8-76.1170000110.9V16 A20 F161 L174 Q175 W176 I177 I200 I211V16-L35 HydrophobicContact CG1-CD1 3.94Å; V16-L35 HydrophobicContact CG1-CD2 3.55Å; V16-L35 HydrophobicContact CG1-CG 4.34Å; A20-L35 HydrophobicContact CB-CD1 4.02Å; A20-L35 HydrophobicContact CB-CD2 4.14Å; A20-L35 HydrophobicContact CB-CG 4.38Å; L35-F161 HydrophobicContact CD2-CB 3.71Å; L35-F161 HydrophobicContact CD2-CD2 3.45Å; L35-F161 VanDerWaalsContact CD2-CD2 3.45Å; L35-F161 HydrophobicContact CD2-CE2 4.32Å; L35-F161 HydrophobicContact CD2-CG 3.82Å; L35-F161 HydrophobicContact CG-CD2 3.89Å; L35-F161 HydrophobicContact CG-CE2 4.43Å; L35-L174 HydrophobicContact CD1-CD1 3.74Å; L35-L174 HydrophobicContact CD1-CD2 3.83Å; L35-L174 HydrophobicContact CD1-CG 3.91Å; L35-L174 HydrophobicContact CG-CD1 3.88Å; L35-Q175 PolarHBondContact N-O 3.1Å; L35-W176 HydrophobicContact CB-CD2 3.78Å; L35-W176 HydrophobicContact CB-CE3 3.77Å; L35-W176 HydrophobicContact CB-CG 4.28Å; L35-W176 HydrophobicContact CB-CH2 4.39Å; L35-W176 HydrophobicContact CB-CZ2 4.36Å; L35-W176 HydrophobicContact CB-CZ3 4.08Å; L35-W176 HydrophobicContact CD1-CD2 4.28Å; L35-W176 HydrophobicContact CD1-CH2 4.49Å; L35-W176 HydrophobicContact CD1-CZ2 3.84Å; L35-W176 WeakPolarHBondContact O-CA 3.33Å; L35-I177 VanDerWaalsContact O-CG1 3.23Å; L35-I177 WeakPolarHBondContact O-CG1 3.46Å; L35-I177 PolarHBondContact O-N 3.3Å; L35-I200 HydrophobicContact CD2-CD1 3.96Å; L35-I211 HydrophobicContact CD2-CD1 4.33Å
36Y96.3Very high87.8Confident13 Ų1343.7 Ų43.75%0.05125%0.246CC..EExtended strand (participates in β ladder)trans-125.9134.1172.3175.5-102.5000109.6L127 G159 L160 D179 I182 I200Y36-L127 HydrophobicContact CD1-CD2 3.63Å; Y36-L127 HydrophobicContact CE1-CD2 3.42Å; Y36-L127 VanDerWaalsContact CE1-CD2 3.42Å; Y36-G159 CarbonylContact O-C 3.42Å; Y36-G159 WeakPolarHBondContact O-CA 3.16Å; Y36-L160 PolarHBondContact N-O 2.93Å; Y36-L160 PolarHBondContact O-N 3.41Å; Y36-L160 VanDerWaalsContact O-O 3.11Å; Y36-D179 VanDerWaalsContact CE2-OD1 3.28Å; Y36-D179 WeakPolarHBondContact CE2-OD1 3.37Å; Y36-D179 PolarHBondContact OH-OD1 3.07Å; Y36-I182 HydrophobicContact CD1-CD1 4.41Å; Y36-I182 HydrophobicContact CD1-CG1 3.93Å; Y36-I182 HydrophobicContact CD2-CB 3.72Å; Y36-I182 HydrophobicContact CD2-CG1 4.03Å; Y36-I182 HydrophobicContact CD2-CG2 3.75Å; Y36-I182 HydrophobicContact CE1-CG1 4.42Å; Y36-I182 HydrophobicContact CE1-CG2 4.46Å; Y36-I182 HydrophobicContact CE2-CB 4.11Å; Y36-I182 HydrophobicContact CE2-CG2 3.59Å; Y36-I182 HydrophobicContact CG-CB 3.94Å; Y36-I182 HydrophobicContact CG-CD1 4.05Å; Y36-I182 HydrophobicContact CG-CG1 3.71Å; Y36-I182 HydrophobicContact CG-CG2 4.26Å; Y36-I200 WeakPolarHBondContact O-CD1 3.13Å
37M95.4Very high87.9Confident4 Ų442.2 Ų42.22%0.0224%0.241CC..EExtended strand (participates in β ladder)trans-146.4151.2171.5-159.8179.271.700108.7I8 T12 V41 V158 W176 I200I8-M37 HydrophobicContact CB-CE 4.26Å; I8-M37 HydrophobicContact CD1-CB 3.85Å; I8-M37 HydrophobicContact CD1-CE 3.93Å; I8-M37 HydrophobicContact CG1-CE 3.84Å; I8-M37 HydrophobicContact CG2-CE 3.46Å; I8-M37 VanDerWaalsContact CG2-CE 3.46Å; T12-M37 HydrophobicContact CG2-CE 3.45Å; T12-M37 VanDerWaalsContact CG2-CE 3.45Å; T12-M37 HydrophobicContact CG2-SD 4.08Å; M37-V41 HydrophobicContact CE-CB 3.79Å; M37-V41 HydrophobicContact CE-CG1 3.94Å; M37-V41 HydrophobicContact CE-CG2 3.87Å; M37-V41 HydrophobicContact CG-CG2 4.13Å; M37-V41 HydrophobicContact SD-CG1 4.4Å; M37-V41 HydrophobicContact SD-CG2 4.35Å; M37-V158 WeakPolarHBondContact CA-O 3.41Å; M37-V158 HydrophobicContact CG-CB 4.3Å; M37-V158 HydrophobicContact CG-CG2 3.99Å; M37-V158 WeakPolarHBondContact CG-O 3.36Å; M37-V158 HydrophobicContact SD-CG2 4.01Å; M37-W176 HydrophobicContact CB-CZ3 3.9Å; M37-I200 HydrophobicContact CB-CD1 4.44Å; M37-I200 HydrophobicContact SD-CG2 4.11Å
38F93.5Very high88.3Confident24 Ų2443.3 Ų43.311%0.10526%0.255CS..  trans-56.1145.1172.7-62.3-62000110.6V41 C62 L126 P131 V158F38-V41 HydrophobicContact CB-CG2 3.83Å; F38-V41 WeakPolarHBondContact O-CG2 3.48Å; F38-C62 HydrophobicContact CB-CB 4.21Å; F38-C62 HydrophobicContact CD2-CB 3.68Å; F38-C62 HydrophobicContact CE2-CB 4.27Å; F38-C62 HydrophobicContact CG-CB 4.07Å; F38-L126 HydrophobicContact CE2-CD1 3.67Å; F38-L126 HydrophobicContact CE2-CG 4.41Å; F38-L126 HydrophobicContact CZ-CD1 3.83Å; F38-L126 HydrophobicContact CZ-CG 4.23Å; F38-L126 VanDerWaalsContact CZ-O 3.26Å; F38-L126 WeakPolarHBondContact CZ-O 3.37Å; F38-P131 HydrophobicContact CE2-CB 4.3Å; F38-V158 HydrophobicContact CD2-CB 4.26Å; F38-V158 WeakPolarHBondContact CD2-O 3.33Å; F38-V158 PolarHBondContact N-O 2.76Å
39N85.9Confident89Confident42 Ų4238.2 Ų38.223%0.22523%0.229CC..SBendtrans-67.9-44.3-177.1-63.5-47.1000111.4V41N39-V41 PolarHBondContact O-N 2.9Å
40N87.5Confident90.2Very high41 Ų4136.4 Ų36.422%0.21921%0.206CC..SBendtrans-95.564.9-173.8-164.518.4000112.5S61 C62 E64N40-S61 WeakPolarHBondContact CB-O 3.33Å; N40-S61 PolarHBondContact ND2-O 3.12Å; N40-S61 CarbonylContact O-C 3.49Å; N40-S61 VanDerWaalsContact O-CB 3.25Å; N40-S61 WeakPolarHBondContact O-CB 3.27Å; N40-S61 PolarHBondContact O-OG 3.31Å; N40-C62 PolarHBondContact O-N 2.97Å; N40-E64 HydrophobicContact CB-CG 3.91Å
41V91.1Very high91.1Very high14 Ų1434.1 Ų34.19%0.08519%0.19CC..  trans-99.2124.4179.61720000109.6M37 F38 N39 P43 V158 M202M37-V41 HydrophobicContact CE-CB 3.79Å; M37-V41 HydrophobicContact CE-CG1 3.94Å; M37-V41 HydrophobicContact CE-CG2 3.87Å; M37-V41 HydrophobicContact CG-CG2 4.13Å; M37-V41 HydrophobicContact SD-CG1 4.4Å; M37-V41 HydrophobicContact SD-CG2 4.35Å; F38-V41 HydrophobicContact CB-CG2 3.83Å; F38-V41 WeakPolarHBondContact O-CG2 3.48Å; N39-V41 PolarHBondContact O-N 2.9Å; V41-P43 WeakPolarHBondContact O-CD 3.49Å; V41-V158 HydrophobicContact CG2-CB 4.28Å; V41-M202 HydrophobicContact CB-CE 4.38Å; V41-M202 HydrophobicContact CG1-CE 2.98Å; V41-M202 HydrophobicContact CG1-SD 3.85Å
42K91.9Very high91.5Very high83 Ų8334 Ų3436%0.36119%0.188SC..  trans-116.685.1-178.6-67.2-176-177.9177.20112.4T44 Y57 I58 S61K42-T44 PolarHBondContact O-N 3.41Å; K42-T44 PolarHBondContact O-OG1 3.32Å; K42-Y57 HydrophobicContact CB-CE1 4.14Å; K42-I58 WeakPolarHBondContact O-CG1 3.17Å; K42-S61 PolarHBondContact N-OG 3.31Å; K42-S61 VanDerWaalsContact N-OG 3.16Å
43P93Very high91.6Very high29 Ų2932.2 Ų32.219%0.18818%0.179CC..  trans-55.8128.1177.7-19.629.2000111.5T12 V41 M202 R207T12-P43 WeakPolarHBondContact OG1-CG 3.36Å; V41-P43 WeakPolarHBondContact O-CD 3.49Å; P43-M202 HydrophobicContact CB-SD 3.97Å; P43-M202 HydrophobicContact CG-SD 3.84Å; P43-R207 HydrophobicContact CB-CB 4.03Å; P43-R207 HydrophobicContact CB-CG 4.43Å; P43-R207 VanDerWaalsContact CB-O 3.31Å; P43-R207 WeakPolarHBondContact CB-O 3.31Å
44T94.5Very high91.6Very high29 Ų2932.2 Ų32.218%0.17818%0.179CC..  trans-138.3134.2-172-61.70000110.4K42 V54 Y57 V71K42-T44 PolarHBondContact O-N 3.41Å; K42-T44 PolarHBondContact O-OG1 3.32Å; T44-V54 HydrophobicContact CG2-CG1 3.94Å; T44-V54 HydrophobicContact CG2-CG2 4.46Å; T44-V54 VanDerWaalsContact O-CG1 3.27Å; T44-V54 WeakPolarHBondContact O-CG1 3.45Å; T44-Y57 HydrophobicContact CG2-CD1 4.25Å; T44-Y57 HydrophobicContact CG2-CE1 4.4Å; T44-Y57 WeakPolarHBondContact OG1-CD1 3.44Å; T44-Y57 WeakPolarHBondContact OG1-CE1 3.4Å; T44-V71 HydrophobicContact CG2-CG2 4.1Å
45I94.5Very high91.6Very high99 Ų9929.8 Ų29.851%0.50817%0.166SC..  trans-89.7135.3174.1-57.2-178.3000108.2G204 R207I45-G204 CarbonylContact C-O 3.56Å; I45-G204 WeakPolarHBondContact CA-O 3.46Å; I45-R207 HydrophobicContact CD1-CG 3.85Å; I45-R207 HydrophobicContact CG1-CG 3.51Å
46Q91.9Very high91.5Very high33 Ų3329.8 Ų29.815%0.15417%0.166CC..  trans-75.3150.8175.975.5-170.477.300112.1G48 Q50 V54 H153 G204Q46-G48 PolarHBondContact NE2-O 3.17Å; Q46-Q50 HydrophobicContact CB-CB 4.15Å; Q46-V54 HydrophobicContact CB-CB 4.3Å; Q46-V54 HydrophobicContact CB-CG2 3.62Å; Q46-H153 PolarHBondContact OE1-CE1 2.98Å; Q46-G204 VanDerWaalsContact CG-O 3.28Å; Q46-G204 WeakPolarHBondContact CG-O 3.32Å; Q46-G204 PolarHBondContact N-O 2.91Å; Q46-G204 PolarHBondContact OE1-O 3.08Å
47D88.6Confident91.4Very high127 Ų12731 Ų3168%0.67917%0.171SC*.  trans-104.3128.5163-170.29.5000109.6Q50D47-Q50 VanDerWaalsContact O-CB 3.28Å; D47-Q50 WeakPolarHBondContact O-CB 3.43Å; D47-Q50 WeakPolarHBondContact O-CG 3.43Å; D47-Q50 PolarHBondContact O-N 3.34Å; D47-Q50 PolarHBondContact O-OE1 2.94Å; D47-Q50 VanDerWaalsContact O-OE1 3.13Å
48G85.2Confident91.4Very high48 Ų4830.9 Ų30.950%0.49517%0.17SC..THydrogen-bonded Turntrans55.6-139.8-176.800000114.3Q46 Q50Q46-G48 PolarHBondContact NE2-O 3.17Å; G48-Q50 PolarHBondContact O-N 2.94Å; G48-Q50 VanDerWaalsContact O-N 3.12Å
49P84.5Confident91.5Very high22 Ų2229.7 Ų29.714%0.14317%0.165CC..THydrogen-bonded Turntrans-82.326.7-174.635.7-36.3000114.3C51 F86 G87 E88 L90 F240P49-C51 VanDerWaalsContact C-N 3.31Å; P49-C51 PolarHBondContact O-N 2.69Å; P49-F86 HydrophobicContact CG-CB 4.1Å; P49-F86 WeakPolarHBondContact CG-O 3.33Å; P49-G87 CarbonylContact O-C 3.39Å; P49-E88 HydrophobicContact CB-CB 3.96Å; P49-E88 HydrophobicContact CG-CB 4.13Å; P49-E88 WeakPolarHBondContact O-CA 3.37Å; P49-L90 HydrophobicContact CB-CD1 4.16Å; P49-L90 WeakPolarHBondContact O-CD1 3.45Å; P49-F240 HydrophobicContact CB-CE1 4.5Å; P49-F240 HydrophobicContact CB-CZ 4.43Å; P49-F240 HydrophobicContact CG-CE1 3.98Å; P49-F240 HydrophobicContact CG-CZ 4.22Å
50Q89.4Confident91.9Very high17 Ų1727.7 Ų27.78%0.07916%0.155CC..  trans-81.215.2-172.2-72.6174-8.300116.2Q46 D47 G48 G52 I53 V54 M75 G87Q46-Q50 HydrophobicContact CB-CB 4.15Å; D47-Q50 VanDerWaalsContact O-CB 3.28Å; D47-Q50 WeakPolarHBondContact O-CB 3.43Å; D47-Q50 WeakPolarHBondContact O-CG 3.43Å; D47-Q50 PolarHBondContact O-N 3.34Å; D47-Q50 PolarHBondContact O-OE1 2.94Å; D47-Q50 VanDerWaalsContact O-OE1 3.13Å; G48-Q50 PolarHBondContact O-N 2.94Å; G48-Q50 VanDerWaalsContact O-N 3.12Å; Q50-G52 VanDerWaalsContact C-N 3.25Å; Q50-G52 PolarHBondContact O-N 3.03Å; Q50-G52 VanDerWaalsContact O-N 3.11Å; Q50-I53 HydrophobicContact CB-CB 4.31Å; Q50-I53 WeakPolarHBondContact O-CB 3.35Å; Q50-I53 PolarHBondContact O-N 2.86Å; Q50-V54 HydrophobicContact CB-CG2 4.29Å; Q50-V54 PolarHBondContact O-N 2.66Å; Q50-M75 PolarHBondContact NE2-SD 2.93Å; Q50-G87 WeakPolarHBondContact CA-O 3.49Å
51C91Very high92.1Very high0 Ų025.8 Ų25.80%014%0.144CC..Hα-helixtrans-61.7-33.4-167.491.20000114.2P49 A55 L90 H153 W154P49-C51 VanDerWaalsContact C-N 3.31Å; P49-C51 PolarHBondContact O-N 2.69Å; C51-A55 VanDerWaalsContact O-CB 3.28Å; C51-A55 WeakPolarHBondContact O-CB 3.43Å; C51-A55 PolarHBondContact O-N 3.22Å; C51-L90 HydrophobicContact CB-CD1 4.28Å; C51-L90 HydrophobicContact CB-CD2 4.37Å; C51-L90 HydrophobicContact CB-CG 4.2Å; C51-L90 WeakPolarHBondContact SG-CD2 3.46Å; C51-L90 WeakPolarHBondContact SG-CG 3.45Å; C51-H153 WeakPolarHBondContact CB-CE1 3.45Å; C51-H153 WeakPolarHBondContact CB-NE2 3.07Å; C51-H153 VanDerWaalsContact SG-CE1 3.59Å; C51-W154 PolarHBondContact SG-N 2.9Å
52G91.3Very high92.2Very high0 Ų025.7 Ų25.70%014%0.144CC..Hα-helixtrans-68.2-41.6175.400000111.9Q50 A55 L56 M97Q50-G52 VanDerWaalsContact C-N 3.25Å; Q50-G52 PolarHBondContact O-N 3.03Å; Q50-G52 VanDerWaalsContact O-N 3.11Å; G52-A55 PolarHBondContact O-N 3.29Å; G52-L56 WeakPolarHBondContact O-CB 3.47Å; G52-L56 PolarHBondContact O-N 3.31Å; G52-M97 WeakPolarHBondContact O-CE 3.35Å
53I92.6Very high92.2Very high0 Ų022.5 Ų22.50%013%0.131CC..Hα-helixtrans-60.2-47.2174.9-59.9-73.2000110.3Q50 L56 Y57 V71 I74 A78 I89 L100Q50-I53 HydrophobicContact CB-CB 4.31Å; Q50-I53 WeakPolarHBondContact O-CB 3.35Å; Q50-I53 PolarHBondContact O-N 2.86Å; I53-L56 PolarHBondContact O-N 3.46Å; I53-Y57 PolarHBondContact O-N 3.5Å; I53-V71 HydrophobicContact CG2-CG1 3.87Å; I53-I74 HydrophobicContact CD1-CG2 3.73Å; I53-I74 HydrophobicContact CG2-CB 3.97Å; I53-I74 HydrophobicContact CG2-CG2 3.86Å; I53-A78 HydrophobicContact CD1-CB 3.95Å; I53-I89 HydrophobicContact CD1-CD1 3.28Å; I53-I89 HydrophobicContact CD1-CG1 3.85Å; I53-I89 HydrophobicContact CG1-CD1 4.06Å; I53-I89 HydrophobicContact CG1-CG1 4.15Å; I53-L100 HydrophobicContact CD1-CD2 4.1Å
54V94.2Very high91.9Very high1 Ų126.4 Ų26.41%0.00615%0.147CC..Hα-helixtrans-67-41179.9173.20000111.7T44 Q46 Q50 L56 Y57 I58 V71T44-V54 HydrophobicContact CG2-CG1 3.94Å; T44-V54 HydrophobicContact CG2-CG2 4.46Å; T44-V54 VanDerWaalsContact O-CG1 3.27Å; T44-V54 WeakPolarHBondContact O-CG1 3.45Å; Q46-V54 HydrophobicContact CB-CB 4.3Å; Q46-V54 HydrophobicContact CB-CG2 3.62Å; Q50-V54 HydrophobicContact CB-CG2 4.29Å; Q50-V54 PolarHBondContact O-N 2.66Å; V54-L56 VanDerWaalsContact C-N 3.3Å; V54-L56 PolarHBondContact O-N 2.8Å; V54-Y57 WeakPolarHBondContact O-CB 3.43Å; V54-Y57 PolarHBondContact O-N 3.49Å; V54-I58 HydrophobicContact CG1-CD1 3.91Å; V54-I58 HydrophobicContact CG1-CG1 4.43Å; V54-I58 VanDerWaalsContact O-CG1 3.27Å; V54-I58 WeakPolarHBondContact O-CG1 3.29Å; V54-I58 PolarHBondContact O-N 3.21Å; V54-V71 HydrophobicContact CG2-CG1 4.37Å
55A95Very high91.3Very high0 Ų025.8 Ų25.80%014%0.143CC..Hα-helixtrans-60.4-42.3174.300000111.2C51 G52 I58 A59 L133 W154C51-A55 VanDerWaalsContact O-CB 3.28Å; C51-A55 WeakPolarHBondContact O-CB 3.43Å; C51-A55 PolarHBondContact O-N 3.22Å; G52-A55 PolarHBondContact O-N 3.29Å; A55-I58 PolarHBondContact O-N 2.83Å; A55-A59 WeakPolarHBondContact O-CB 3.35Å; A55-A59 PolarHBondContact O-N 2.85Å; A55-L133 HydrophobicContact CB-CD2 3.56Å; A55-W154 HydrophobicContact CB-CB 3.89Å
56L94.8Very high90.7Very high0 Ų027.2 Ų27.20%016%0.158CC..Hα-helixtrans-65.7-39175.9-175.460.8000112.6G52 I53 V54 A59 A60 I74 M97 L100 A101 L105 L133G52-L56 WeakPolarHBondContact O-CB 3.47Å; G52-L56 PolarHBondContact O-N 3.31Å; I53-L56 PolarHBondContact O-N 3.46Å; V54-L56 VanDerWaalsContact C-N 3.3Å; V54-L56 PolarHBondContact O-N 2.8Å; L56-A59 WeakPolarHBondContact O-CB 3.31Å; L56-A59 PolarHBondContact O-N 3.4Å; L56-A60 WeakPolarHBondContact O-CB 3.31Å; L56-A60 PolarHBondContact O-N 3.27Å; L56-I74 HydrophobicContact CD2-CG2 3.9Å; L56-M97 HydrophobicContact CB-SD 4.03Å; L56-M97 HydrophobicContact CD1-SD 4.41Å; L56-M97 HydrophobicContact CD2-SD 4.15Å; L56-M97 HydrophobicContact CG-SD 4.43Å; L56-L100 HydrophobicContact CD2-CB 4.31Å; L56-L100 HydrophobicContact CD2-CD2 3.8Å; L56-L100 HydrophobicContact CD2-CG 3.74Å; L56-A101 HydrophobicContact CD1-CB 3.62Å; L56-A101 HydrophobicContact CD2-CB 4.42Å; L56-L105 HydrophobicContact CD1-CD1 3.52Å; L56-L105 HydrophobicContact CD1-CG 4.48Å; L56-L105 HydrophobicContact CG-CD1 4.15Å; L56-L133 HydrophobicContact CD1-CD1 3.99Å
57Y94.8Very high90.4Very high38 Ų3830.7 Ų30.715%0.14919%0.186CC..Hα-helixtrans-61.3-46.2174.1171-99.7000112K42 T44 I53 V54 A59 A60 S61 P69 V71 I74K42-Y57 HydrophobicContact CB-CE1 4.14Å; T44-Y57 HydrophobicContact CG2-CD1 4.25Å; T44-Y57 HydrophobicContact CG2-CE1 4.4Å; T44-Y57 WeakPolarHBondContact OG1-CD1 3.44Å; T44-Y57 WeakPolarHBondContact OG1-CE1 3.4Å; I53-Y57 PolarHBondContact O-N 3.5Å; V54-Y57 WeakPolarHBondContact O-CB 3.43Å; V54-Y57 PolarHBondContact O-N 3.49Å; Y57-A59 VanDerWaalsContact C-N 3.31Å; Y57-A59 PolarHBondContact O-N 3.03Å; Y57-A60 WeakPolarHBondContact O-CB 3.36Å; Y57-A60 PolarHBondContact O-N 3.01Å; Y57-S61 PolarHBondContact O-N 2.75Å; Y57-P69 WeakPolarHBondContact CD2-O 3.28Å; Y57-P69 VanDerWaalsContact CE2-O 3.25Å; Y57-P69 WeakPolarHBondContact CE2-O 3.49Å; Y57-V71 HydrophobicContact CD1-CG2 3.94Å; Y57-V71 HydrophobicContact CD2-CG2 4.01Å; Y57-V71 HydrophobicContact CG-CG2 3.66Å; Y57-I74 HydrophobicContact CD2-CD1 4.38Å
58I94.8Very high90.2Very high1 Ų126.9 Ų26.91%0.00517%0.169CC..Hα-helixtrans-62.1-42.5175.9-67166.2000110.1K42 V54 A55 A60 S61 C62 V156 V158 M202K42-I58 WeakPolarHBondContact O-CG1 3.17Å; V54-I58 HydrophobicContact CG1-CD1 3.91Å; V54-I58 HydrophobicContact CG1-CG1 4.43Å; V54-I58 VanDerWaalsContact O-CG1 3.27Å; V54-I58 WeakPolarHBondContact O-CG1 3.29Å; V54-I58 PolarHBondContact O-N 3.21Å; A55-I58 PolarHBondContact O-N 2.83Å; I58-A60 VanDerWaalsContact C-N 3.32Å; I58-A60 PolarHBondContact O-N 3.33Å; I58-S61 PolarHBondContact O-N 3.41Å; I58-S61 PolarHBondContact O-OG 3.22Å; I58-C62 PolarHBondContact O-N 3.49Å; I58-C62 PolarHBondContact O-SG 3.28Å; I58-V156 HydrophobicContact CB-CG1 3.87Å; I58-V156 HydrophobicContact CD1-CG1 4.4Å; I58-V156 HydrophobicContact CG2-CG1 3.45Å; I58-V156 VanDerWaalsContact CG2-CG1 3.45Å; I58-V158 HydrophobicContact CG2-CG1 4.2Å; I58-M202 HydrophobicContact CD1-CB 4.33Å; I58-M202 HydrophobicContact CG2-CE 3.28Å
59A95Very high90.6Very high0 Ų024.9 Ų24.90%015%0.147CC..Hα-helixtrans-61-41.6175.600000111.9A55 L56 Y57 S61 C62 L63 P131 L133 V156 L257A55-A59 WeakPolarHBondContact O-CB 3.35Å; A55-A59 PolarHBondContact O-N 2.85Å; L56-A59 WeakPolarHBondContact O-CB 3.31Å; L56-A59 PolarHBondContact O-N 3.4Å; Y57-A59 VanDerWaalsContact C-N 3.31Å; Y57-A59 PolarHBondContact O-N 3.03Å; A59-S61 VanDerWaalsContact C-N 3.28Å; A59-S61 PolarHBondContact O-N 3.36Å; A59-C62 WeakPolarHBondContact O-CB 3.48Å; A59-C62 PolarHBondContact O-N 3.17Å; A59-C62 VanDerWaalsContact O-N 3.14Å; A59-L63 PolarHBondContact O-N 3.45Å; A59-P131 HydrophobicContact CB-CB 4.1Å; A59-P131 HydrophobicContact CB-CG 3.74Å; A59-P131 WeakPolarHBondContact O-CG 3.36Å; A59-L133 HydrophobicContact CB-CD2 4.37Å; A59-L133 HydrophobicContact CB-CG 4.47Å; A59-V156 HydrophobicContact CB-CG2 3.92Å; A59-L257 HydrophobicContact CB-CD1 3.54Å
60A94Very high91Very high0 Ų027.1 Ų27.10%016%0.16CC..Hα-helixtrans-60.2-36.6175.800000112.7L56 Y57 I58 C62 L63 L105L56-A60 WeakPolarHBondContact O-CB 3.31Å; L56-A60 PolarHBondContact O-N 3.27Å; Y57-A60 WeakPolarHBondContact O-CB 3.36Å; Y57-A60 PolarHBondContact O-N 3.01Å; I58-A60 VanDerWaalsContact C-N 3.32Å; I58-A60 PolarHBondContact O-N 3.33Å; A60-C62 VanDerWaalsContact C-N 3.35Å; A60-L63 PolarHBondContact O-N 2.86Å; A60-L105 HydrophobicContact CB-CD1 3.82Å; A60-L105 HydrophobicContact CB-CD2 3.39Å; A60-L105 HydrophobicContact CB-CG 4.25Å
61S92.8Very high91.2Very high0 Ų027.6 Ų27.60%016%0.164CC..Hα-helixtrans-65.7-41.717684.50000111N40 K42 Y57 I58 A59 L63 E64N40-S61 WeakPolarHBondContact CB-O 3.33Å; N40-S61 PolarHBondContact ND2-O 3.12Å; N40-S61 CarbonylContact O-C 3.49Å; N40-S61 VanDerWaalsContact O-CB 3.25Å; N40-S61 WeakPolarHBondContact O-CB 3.27Å; N40-S61 PolarHBondContact O-OG 3.31Å; K42-S61 PolarHBondContact N-OG 3.31Å; K42-S61 VanDerWaalsContact N-OG 3.16Å; Y57-S61 PolarHBondContact O-N 2.75Å; I58-S61 PolarHBondContact O-N 3.41Å; I58-S61 PolarHBondContact O-OG 3.22Å; A59-S61 VanDerWaalsContact C-N 3.28Å; A59-S61 PolarHBondContact O-N 3.36Å; S61-L63 VanDerWaalsContact C-N 3.32Å; S61-L63 PolarHBondContact O-N 2.9Å; S61-E64 PolarHBondContact O-N 3.23Å
62C93Very high91.3Very high12 Ų1232.5 Ų32.58%0.08119%0.187CC..Hα-helixtrans-66-32.8179.4-57.20000112.8F38 N40 I58 A59 A60 E64 P131F38-C62 HydrophobicContact CB-CB 4.21Å; F38-C62 HydrophobicContact CD2-CB 3.68Å; F38-C62 HydrophobicContact CE2-CB 4.27Å; F38-C62 HydrophobicContact CG-CB 4.07Å; N40-C62 PolarHBondContact O-N 2.97Å; I58-C62 PolarHBondContact O-N 3.49Å; I58-C62 PolarHBondContact O-SG 3.28Å; A59-C62 WeakPolarHBondContact O-CB 3.48Å; A59-C62 PolarHBondContact O-N 3.17Å; A59-C62 VanDerWaalsContact O-N 3.14Å; A60-C62 VanDerWaalsContact C-N 3.35Å; C62-E64 PolarHBondContact O-N 3.44Å; C62-P131 HydrophobicContact CB-CB 4.29Å; C62-P131 HydrophobicContact CB-CG 3.9Å
63L91.8Very high91.5Very high16 Ų1636.8 Ų36.88%0.08421%0.207CC..THydrogen-bonded Turntrans-74.8-10.1177.4-73.5171.9000113.8A59 A60 S61 V65 L105 C107 P131 L257 T259A59-L63 PolarHBondContact O-N 3.45Å; A60-L63 PolarHBondContact O-N 2.86Å; S61-L63 VanDerWaalsContact C-N 3.32Å; S61-L63 PolarHBondContact O-N 2.9Å; L63-V65 HydrophobicContact CB-CG1 3.72Å; L63-V65 HydrophobicContact CD1-CG1 4.43Å; L63-V65 PolarHBondContact O-N 3.32Å; L63-L105 HydrophobicContact CD1-CD1 4.32Å; L63-C107 HydrophobicContact CD1-CB 4.22Å; L63-P131 HydrophobicContact CD2-CG 4.4Å; L63-P131 HydrophobicContact CG-CG 4.04Å; L63-L257 HydrophobicContact CD1-CB 4.13Å; L63-L257 HydrophobicContact CD1-CD1 4.2Å; L63-T259 HydrophobicContact CD2-CG2 4.28Å
64E85.9Confident91.6Very high112 Ų11236.8 Ų36.852%0.52321%0.207SC..THydrogen-bonded Turntrans50.939.8-176.8-60.6-171.3171.100113.5N40 S61 C62N40-E64 HydrophobicContact CB-CG 3.91Å; S61-E64 PolarHBondContact O-N 3.23Å; C62-E64 PolarHBondContact O-N 3.44Å
65V83.4Confident91.4Very high16 Ų1637.5 Ų37.510%0.09721%0.211CC..  trans-59.8143.5-176.9-59.10000111.7L63 C67 L105L63-V65 HydrophobicContact CB-CG1 3.72Å; L63-V65 HydrophobicContact CD1-CG1 4.43Å; L63-V65 PolarHBondContact O-N 3.32Å; V65-C67 PolarHBondContact O-N 3.26Å; V65-C67 VanDerWaalsContact O-N 3.12Å; V65-L105 HydrophobicContact CG1-CB 4.27Å; V65-L105 WeakPolarHBondContact CG1-O 3.4Å
66P80.9Confident91.3Very high128 Ų12842.7 Ų42.783%0.83124%0.235SC*.SBendtrans-56.4-33.9-173.1-27.434.1000114.8
67C84.9Confident91.2Very high107 Ų10743.9 Ų43.972%0.72324%0.242SC*.SBendtrans-126.284.9175.6-167.70000109V65 P69V65-C67 PolarHBondContact O-N 3.26Å; V65-C67 VanDerWaalsContact O-N 3.12Å; C67-P69 VanDerWaalsContact O-CD 3.31Å; C67-P69 WeakPolarHBondContact O-CD 3.31Å
68S85.9Confident91Very high47 Ų4742.1 Ų42.133%0.32924%0.235SC..PPolyproline II helixtrans-67.3116.6-178.7-169.70000110.5
69P92.6Very high90.8Very high6 Ų646.5 Ų46.54%0.03925%0.254CS..PPolyproline II helixtrans-74.5153.9-177.631.4-35.7000111.6Y57 C67 Q73 I74 M104 L105Y57-P69 WeakPolarHBondContact CD2-O 3.28Å; Y57-P69 VanDerWaalsContact CE2-O 3.25Å; Y57-P69 WeakPolarHBondContact CE2-O 3.49Å; C67-P69 VanDerWaalsContact O-CD 3.31Å; C67-P69 WeakPolarHBondContact O-CD 3.31Å; P69-Q73 HydrophobicContact CB-CB 4.31Å; P69-I74 HydrophobicContact CB-CG1 3.96Å; P69-I74 HydrophobicContact CG-CD1 4Å; P69-I74 HydrophobicContact CG-CG1 3.82Å; P69-M104 HydrophobicContact CB-CE 3.46Å; P69-M104 VanDerWaalsContact CB-CE 3.46Å; P69-M104 HydrophobicContact CG-CE 3.99Å; P69-L105 HydrophobicContact CG-CD2 3.6Å
70T94Very high90.6Very high68 Ų6850.7 Ų50.742%0.41728%0.284SS..PPolyproline II helixtrans-78.6159.5169.970.80000111.3E72 Q73 I74T70-E72 PolarHBondContact O-N 3.49Å; T70-Q73 PolarHBondContact O-N 2.88Å; T70-Q73 VanDerWaalsContact O-N 3.1Å; T70-Q73 WeakPolarHBondContact OG1-CG 3.39Å; T70-Q73 PolarHBondContact OG1-N 2.78Å; T70-Q73 VanDerWaalsContact OG1-N 3.15Å; T70-Q73 PolarHBondContact OG1-OE1 3.08Å; T70-I74 WeakPolarHBondContact O-CG1 3.33Å; T70-I74 PolarHBondContact O-N 2.92Å
71V93.2Very high90.4Very high28 Ų2852.8 Ų52.817%0.1729%0.294CS..Hα-helixtrans-51.4-41.8171.7173.30000111.1T44 I53 V54 Y57 I74 M75T44-V71 HydrophobicContact CG2-CG2 4.1Å; I53-V71 HydrophobicContact CG2-CG1 3.87Å; V54-V71 HydrophobicContact CG2-CG1 4.37Å; Y57-V71 HydrophobicContact CD1-CG2 3.94Å; Y57-V71 HydrophobicContact CD2-CG2 4.01Å; Y57-V71 HydrophobicContact CG-CG2 3.66Å; V71-I74 PolarHBondContact O-N 2.94Å; V71-M75 WeakPolarHBondContact O-CB 3.25Å; V71-M75 PolarHBondContact O-N 2.79Å
72E93.3Very high90.1Very high102 Ų10254.2 Ų54.248%0.47731%0.309SS..Hα-helixtrans-63.4-44.2178.7-161.966.4-15300112T70 M75 Q76T70-E72 PolarHBondContact O-N 3.49Å; E72-M75 PolarHBondContact O-N 2.86Å; E72-Q76 WeakPolarHBondContact O-CB 3.5Å; E72-Q76 VanDerWaalsContact O-CG 3.27Å; E72-Q76 WeakPolarHBondContact O-CG 3.45Å; E72-Q76 PolarHBondContact O-N 2.82Å
73Q94.8Very high89.7Confident91 Ų9154.2 Ų54.243%0.42531%0.308SS..Hα-helixtrans-65.2-40.5178.2-74170.2-35.300112.2P69 T70 M75 Q76 T77 M104P69-Q73 HydrophobicContact CB-CB 4.31Å; T70-Q73 PolarHBondContact O-N 2.88Å; T70-Q73 VanDerWaalsContact O-N 3.1Å; T70-Q73 WeakPolarHBondContact OG1-CG 3.39Å; T70-Q73 PolarHBondContact OG1-N 2.78Å; T70-Q73 VanDerWaalsContact OG1-N 3.15Å; T70-Q73 PolarHBondContact OG1-OE1 3.08Å; Q73-M75 VanDerWaalsContact C-N 3.35Å; Q73-Q76 PolarHBondContact O-N 2.92Å; Q73-T77 WeakPolarHBondContact O-CB 3.32Å; Q73-T77 PolarHBondContact O-N 3.01Å; Q73-T77 PolarHBondContact O-OG1 2.87Å; Q73-M104 HydrophobicContact CB-CE 4.25Å
74I94.2Very high89.3Confident0 Ų053.5 Ų53.50%030%0.304CS..Hα-helixtrans-63.5-44.2174.5-59.8169.5000109.6I53 L56 Y57 P69 T70 V71 T77 A78 L100 M104I53-I74 HydrophobicContact CD1-CG2 3.73Å; I53-I74 HydrophobicContact CG2-CB 3.97Å; I53-I74 HydrophobicContact CG2-CG2 3.86Å; L56-I74 HydrophobicContact CD2-CG2 3.9Å; Y57-I74 HydrophobicContact CD2-CD1 4.38Å; P69-I74 HydrophobicContact CB-CG1 3.96Å; P69-I74 HydrophobicContact CG-CD1 4Å; P69-I74 HydrophobicContact CG-CG1 3.82Å; T70-I74 WeakPolarHBondContact O-CG1 3.33Å; T70-I74 PolarHBondContact O-N 2.92Å; V71-I74 PolarHBondContact O-N 2.94Å; I74-T77 PolarHBondContact O-N 2.89Å; I74-A78 WeakPolarHBondContact O-CB 2.92Å; I74-A78 PolarHBondContact O-N 2.69Å; I74-L100 HydrophobicContact CG2-CD2 3.75Å; I74-L100 HydrophobicContact CG2-CG 4.23Å; I74-M104 HydrophobicContact CG1-CE 4Å
75M90.6Very high88.8Confident15 Ų1551.2 Ų51.27%0.07429%0.294CS..Hα-helixtrans-62.2-45.7177.5-172.9-173-170.100112.2Q50 V71 E72 Q73 T77 A78 K79 F86Q50-M75 PolarHBondContact NE2-SD 2.93Å; V71-M75 WeakPolarHBondContact O-CB 3.25Å; V71-M75 PolarHBondContact O-N 2.79Å; E72-M75 PolarHBondContact O-N 2.86Å; Q73-M75 VanDerWaalsContact C-N 3.35Å; M75-T77 VanDerWaalsContact C-N 3.3Å; M75-T77 PolarHBondContact O-N 2.81Å; M75-A78 PolarHBondContact O-N 2.8Å; M75-K79 VanDerWaalsContact CE-CE 3.45Å; M75-K79 WeakPolarHBondContact O-CG 3.14Å; M75-K79 PolarHBondContact O-N 2.89Å; M75-F86 VanDerWaalsContact CE-O 3.3Å; M75-F86 WeakPolarHBondContact CE-O 3.48Å
76Q92.6Very high88.3Confident110 Ų11053.2 Ų53.251%0.51430%0.301SS..Hα-helixtrans-61.4-39.5177.2-73.6173.31.700111.6E72 Q73 K79 S80E72-Q76 WeakPolarHBondContact O-CB 3.5Å; E72-Q76 VanDerWaalsContact O-CG 3.27Å; E72-Q76 WeakPolarHBondContact O-CG 3.45Å; E72-Q76 PolarHBondContact O-N 2.82Å; Q73-Q76 PolarHBondContact O-N 2.92Å; Q76-K79 PolarHBondContact O-N 3.23Å; Q76-S80 PolarHBondContact O-N 3.41Å
77T93Very high87.9Confident25 Ų2547.1 Ų47.115%0.15326%0.261CS..Hα-helixtrans-68.3-39.8176.1-56.40000111.8Q73 I74 M75 K79 S80 M81 L100 R103 M104Q73-T77 WeakPolarHBondContact O-CB 3.32Å; Q73-T77 PolarHBondContact O-N 3.01Å; Q73-T77 PolarHBondContact O-OG1 2.87Å; I74-T77 PolarHBondContact O-N 2.89Å; M75-T77 VanDerWaalsContact C-N 3.3Å; M75-T77 PolarHBondContact O-N 2.81Å; T77-K79 VanDerWaalsContact C-N 3.3Å; T77-K79 PolarHBondContact O-N 3.08Å; T77-S80 PolarHBondContact O-N 3.43Å; T77-S80 PolarHBondContact O-OG 2.91Å; T77-M81 HydrophobicContact CG2-CG 4.39Å; T77-M81 HydrophobicContact CG2-SD 3.98Å; T77-M81 WeakPolarHBondContact O-CB 3.39Å; T77-M81 VanDerWaalsContact O-CG 3.27Å; T77-M81 WeakPolarHBondContact O-CG 3.33Å; T77-M81 PolarHBondContact O-N 3.4Å; T77-L100 HydrophobicContact CG2-CD1 3.8Å; T77-R103 HydrophobicContact CG2-CG 4.48Å; T77-M104 VanDerWaalsContact CB-SD 3.57Å; T77-M104 HydrophobicContact CG2-CG 4.11Å; T77-M104 HydrophobicContact CG2-SD 3.62Å; T77-M104 PolarHBondContact OG1-SD 2.95Å
78A90.9Very high87.2Confident0 Ų042 Ų420%023%0.227CC..Hα-helixtrans-61.4-39.7173.900000112.2I53 I74 M75 G82 I83 S84 I89 L100I53-A78 HydrophobicContact CD1-CB 3.95Å; I74-A78 WeakPolarHBondContact O-CB 2.92Å; I74-A78 PolarHBondContact O-N 2.69Å; M75-A78 PolarHBondContact O-N 2.8Å; A78-G82 PolarHBondContact O-N 2.96Å; A78-I83 HydrophobicContact CB-CD1 4.25Å; A78-I83 HydrophobicContact CB-CG1 4.05Å; A78-I83 WeakPolarHBondContact O-CG1 3.45Å; A78-I83 PolarHBondContact O-N 3.01Å; A78-S84 PolarHBondContact O-N 2.99Å; A78-I89 HydrophobicContact CB-CD1 3.86Å; A78-L100 HydrophobicContact CB-CD1 4.39Å; A78-L100 HydrophobicContact CB-CD2 4Å
79K89.4Confident85.9Confident93 Ų9339.9 Ų39.940%0.40421%0.212SC..Hα-helixtrans-64.7-46.3174.2-71.3175.8179.9-175.70112M75 Q76 T77 M81 G82 S84 H85M75-K79 VanDerWaalsContact CE-CE 3.45Å; M75-K79 WeakPolarHBondContact O-CG 3.14Å; M75-K79 PolarHBondContact O-N 2.89Å; Q76-K79 PolarHBondContact O-N 3.23Å; T77-K79 VanDerWaalsContact C-N 3.3Å; T77-K79 PolarHBondContact O-N 3.08Å; K79-M81 VanDerWaalsContact C-N 3.31Å; K79-M81 PolarHBondContact O-N 3.49Å; K79-G82 WeakPolarHBondContact O-CA 3.37Å; K79-G82 PolarHBondContact O-N 2.95Å; K79-S84 WeakPolarHBondContact CA-O 3.28Å; K79-H85 WeakPolarHBondContact CE-O 3.17Å
80S91.1Very high83.9Confident89 Ų8940.3 Ų40.362%0.62221%0.214SC*.Hα-helixtrans-68.2-30.1-179.573.60000113.1Q76 T77 G82Q76-S80 PolarHBondContact O-N 3.41Å; T77-S80 PolarHBondContact O-N 3.43Å; T77-S80 PolarHBondContact O-OG 2.91Å; S80-G82 PolarHBondContact O-N 3.5Å
81M90.3Very high81.6Confident44 Ų4437.4 Ų37.422%0.21720%0.196CC..THydrogen-bonded Turntrans-71.5-9.4169.4-74.5175.265.900113.1T77 K79 I83 Q99 L100 R103T77-M81 HydrophobicContact CG2-CG 4.39Å; T77-M81 HydrophobicContact CG2-SD 3.98Å; T77-M81 WeakPolarHBondContact O-CB 3.39Å; T77-M81 VanDerWaalsContact O-CG 3.27Å; T77-M81 WeakPolarHBondContact O-CG 3.33Å; T77-M81 PolarHBondContact O-N 3.4Å; K79-M81 VanDerWaalsContact C-N 3.31Å; K79-M81 PolarHBondContact O-N 3.49Å; M81-I83 VanDerWaalsContact C-N 3.27Å; M81-I83 HydrophobicContact CB-CD1 4.35Å; M81-I83 HydrophobicContact CB-CG1 3.95Å; M81-I83 HydrophobicContact CB-CG2 4.35Å; M81-I83 HydrophobicContact CE-CD1 4.05Å; M81-I83 PolarHBondContact O-N 3.36Å; M81-I83 HydrophobicContact SD-CD1 4.37Å; M81-Q99 HydrophobicContact CE-CB 3.87Å; M81-L100 HydrophobicContact SD-CD1 3.85Å; M81-R103 VanDerWaalsContact CG-NH1 3.31Å
82G86.5Confident79.7Confident30 Ų3036.1 Ų36.131%0.30919%0.188SC..THydrogen-bonded Turntrans67.128.3-177.600000113.1A78 K79 S80 K241A78-G82 PolarHBondContact O-N 2.96Å; K79-G82 WeakPolarHBondContact O-CA 3.37Å; K79-G82 PolarHBondContact O-N 2.95Å; S80-G82 PolarHBondContact O-N 3.5Å; G82-K241 VanDerWaalsContact CA-NZ 3.26Å; G82-K241 WeakPolarHBondContact O-CD 3.48Å; G82-K241 WeakPolarHBondContact O-CE 3.36Å; G82-K241 PolarHBondContact O-NZ 3.35Å
83I84.5Confident78.7Confident11 Ų1132.7 Ų32.76%0.05617%0.173CC..SBendtrans-107.5-1.3178.360.9168.2000113A78 M81 I89 W96 L100A78-I83 HydrophobicContact CB-CD1 4.25Å; A78-I83 HydrophobicContact CB-CG1 4.05Å; A78-I83 WeakPolarHBondContact O-CG1 3.45Å; A78-I83 PolarHBondContact O-N 3.01Å; M81-I83 VanDerWaalsContact C-N 3.27Å; M81-I83 HydrophobicContact CB-CD1 4.35Å; M81-I83 HydrophobicContact CB-CG1 3.95Å; M81-I83 HydrophobicContact CB-CG2 4.35Å; M81-I83 HydrophobicContact CE-CD1 4.05Å; M81-I83 PolarHBondContact O-N 3.36Å; M81-I83 HydrophobicContact SD-CD1 4.37Å; I83-I89 HydrophobicContact CD1-CD1 4.4Å; I83-W96 HydrophobicContact CB-CB 4.21Å; I83-W96 HydrophobicContact CB-CD2 3.84Å; I83-W96 HydrophobicContact CB-CE3 3.65Å; I83-W96 HydrophobicContact CB-CG 4.1Å; I83-W96 HydrophobicContact CB-CZ3 4.35Å; I83-W96 HydrophobicContact CD1-CB 3.94Å; I83-W96 HydrophobicContact CG2-CB 4.09Å; I83-W96 HydrophobicContact CG2-CD2 3.61Å; I83-W96 HydrophobicContact CG2-CE3 3.94Å; I83-W96 HydrophobicContact CG2-CG 3.67Å; I83-L100 HydrophobicContact CD1-CB 4.19Å; I83-L100 HydrophobicContact CD1-CD2 4.44Å
84S82.6Confident78.3Confident1 Ų128.4 Ų28.41%0.00715%0.153CC..  trans-153.2145178.6-169.60000111.3A78 K79 G87 E88A78-S84 PolarHBondContact O-N 2.99Å; K79-S84 WeakPolarHBondContact CA-O 3.28Å; S84-G87 WeakPolarHBondContact OG-CA 3.36Å; S84-G87 PolarHBondContact OG-N 3.15Å; S84-E88 PolarHBondContact OG-N 3.44Å; S84-E88 PolarHBondContact OG-OE2 2.96Å
85H76.7Confident78Confident65 Ų6534.8 Ų34.830%0.30118%0.178SC..SBendtrans-105.9-38.5169.1-71.5133.5000112.5K79 E88 E239 K241K79-H85 WeakPolarHBondContact CE-O 3.17Å; H85-E88 PolarHBondContact N-OE1 3.44Å; H85-E88 PolarHBondContact N-OE2 3.24Å; H85-E239 PolarHBondContact ND1-O 2.83Å; H85-K241 WeakPolarHBondContact CE1-CE 3.27Å; H85-K241 WeakPolarHBondContact ND1-CG 3.16Å; H85-K241 WeakPolarHBondContact NE2-CE 3.36Å
86F73.1Confident78Confident57 Ų5736.5 Ų36.525%0.2518%0.184CC..SBendtrans-126.88.1-171.7-55.2-84.2000113.5P49 M75 E88 A234 Q238 F240P49-F86 HydrophobicContact CG-CB 4.1Å; P49-F86 WeakPolarHBondContact CG-O 3.33Å; M75-F86 VanDerWaalsContact CE-O 3.3Å; M75-F86 WeakPolarHBondContact CE-O 3.48Å; F86-E88 VanDerWaalsContact CA-OE2 3.24Å; F86-E88 WeakPolarHBondContact CA-OE2 3.4Å; F86-E88 WeakPolarHBondContact CB-OE2 3.36Å; F86-E88 PolarHBondContact N-OE2 2.87Å; F86-A234 HydrophobicContact CD1-CB 4.28Å; F86-A234 HydrophobicContact CD2-CB 3.41Å; F86-A234 VanDerWaalsContact CD2-CB 3.41Å; F86-A234 HydrophobicContact CE1-CB 3.98Å; F86-A234 HydrophobicContact CE2-CB 3.06Å; F86-A234 HydrophobicContact CG-CB 4.01Å; F86-A234 HydrophobicContact CZ-CB 3.37Å; F86-Q238 HydrophobicContact CE2-CB 3.94Å; F86-Q238 HydrophobicContact CZ-CB 3.65Å; F86-F240 HydrophobicContact CB-CD1 4.44Å; F86-F240 HydrophobicContact CB-CE1 3.92Å; F86-F240 AromaticContact CD2-CD1 3.7Å; F86-F240 HydrophobicContact CD2-CD1 3.7Å; F86-F240 AromaticContact CD2-CE1 3.75Å; F86-F240 HydrophobicContact CD2-CE1 3.75Å; F86-F240 HydrophobicContact CE2-CD1 4.48Å; F86-F240 HydrophobicContact CG-CD1 4.44Å; F86-F240 HydrophobicContact CG-CE1 4.08Å
87G71Confident77.9Confident0 Ų031.3 Ų31.30%016%0.16CC..SBendtrans99.41.2-176.500000114.1P49 Q50 S84 I89P49-G87 CarbonylContact O-C 3.39Å; Q50-G87 WeakPolarHBondContact CA-O 3.49Å; S84-G87 WeakPolarHBondContact OG-CA 3.36Å; S84-G87 PolarHBondContact OG-N 3.15Å; G87-I89 PolarHBondContact O-N 3.34Å
88E70.7Confident78Confident0 Ų030.3 Ų30.30%015%0.154CC..  trans-6754.8-179.476.4-71.4177.700114.2P49 S84 H85 F86 L90 S91 F240 K241P49-E88 HydrophobicContact CB-CB 3.96Å; P49-E88 HydrophobicContact CG-CB 4.13Å; P49-E88 WeakPolarHBondContact O-CA 3.37Å; S84-E88 PolarHBondContact OG-N 3.44Å; S84-E88 PolarHBondContact OG-OE2 2.96Å; H85-E88 PolarHBondContact N-OE1 3.44Å; H85-E88 PolarHBondContact N-OE2 3.24Å; F86-E88 VanDerWaalsContact CA-OE2 3.24Å; F86-E88 WeakPolarHBondContact CA-OE2 3.4Å; F86-E88 WeakPolarHBondContact CB-OE2 3.36Å; F86-E88 PolarHBondContact N-OE2 2.87Å; E88-L90 PolarHBondContact O-N 3.4Å; E88-S91 WeakPolarHBondContact CB-OG 3.34Å; E88-S91 WeakPolarHBondContact O-CB 3.31Å; E88-S91 PolarHBondContact O-N 2.96Å; E88-S91 PolarHBondContact O-OG 3.29Å; E88-F240 HydrophobicContact CB-CD1 3.78Å; E88-F240 HydrophobicContact CB-CE1 4.08Å; E88-F240 HydrophobicContact CB-CG 4.33Å; E88-F240 VanDerWaalsContact CD-CD1 3.42Å; E88-F240 HydrophobicContact CG-CB 3.83Å; E88-F240 HydrophobicContact CG-CD1 3.38Å; E88-F240 HydrophobicContact CG-CE1 4.16Å; E88-F240 HydrophobicContact CG-CG 3.81Å; E88-K241 PolarHBondContact OE1-N 3.39Å
89I58.7Low78.1Confident2 Ų233.6 Ų33.61%0.0117%0.169CC..THydrogen-bonded Turntrans-69-6.1161.7-56.3-166.3000110.7I53 A78 I83 G87 S91 M97 L100 W154I53-I89 HydrophobicContact CD1-CD1 3.28Å; I53-I89 HydrophobicContact CD1-CG1 3.85Å; I53-I89 HydrophobicContact CG1-CD1 4.06Å; I53-I89 HydrophobicContact CG1-CG1 4.15Å; A78-I89 HydrophobicContact CB-CD1 3.86Å; I83-I89 HydrophobicContact CD1-CD1 4.4Å; G87-I89 PolarHBondContact O-N 3.34Å; I89-S91 PolarHBondContact O-N 3.26Å; I89-S91 VanDerWaalsContact O-N 3.08Å; I89-M97 HydrophobicContact CG2-CB 4.46Å; I89-M97 HydrophobicContact CG2-CE 3.45Å; I89-M97 VanDerWaalsContact CG2-CE 3.45Å; I89-M97 HydrophobicContact CG2-SD 4.23Å; I89-L100 HydrophobicContact CD1-CD2 3.23Å; I89-W154 PolarHBondContact O-NE1 3.44Å; I89-W154 VanDerWaalsContact O-NE1 3.1Å
90L51Low78.3Confident15 Ų1529.1 Ų29.18%0.07915%0.15CC..THydrogen-bonded Turntrans-49.7-22.4156.2-89.3167.7000113.8P49 C51 E88 A152P49-L90 HydrophobicContact CB-CD1 4.16Å; P49-L90 WeakPolarHBondContact O-CD1 3.45Å; C51-L90 HydrophobicContact CB-CD1 4.28Å; C51-L90 HydrophobicContact CB-CD2 4.37Å; C51-L90 HydrophobicContact CB-CG 4.2Å; C51-L90 WeakPolarHBondContact SG-CD2 3.46Å; C51-L90 WeakPolarHBondContact SG-CG 3.45Å; E88-L90 PolarHBondContact O-N 3.4Å; L90-A152 WeakPolarHBondContact CD2-O 3.43Å
91S46.3Very low78.4Confident7 Ų724.9 Ų24.95%0.04912%0.12CC..SBendtrans-117.6-13.7-159.8-56.70000114.7E88 I89 K241 W242 P243E88-S91 WeakPolarHBondContact CB-OG 3.34Å; E88-S91 WeakPolarHBondContact O-CB 3.31Å; E88-S91 PolarHBondContact O-N 2.96Å; E88-S91 PolarHBondContact O-OG 3.29Å; I89-S91 PolarHBondContact O-N 3.26Å; I89-S91 VanDerWaalsContact O-N 3.08Å; S91-K241 VanDerWaalsContact CB-O 3.29Å; S91-K241 WeakPolarHBondContact CB-O 3.27Å; S91-W242 WeakPolarHBondContact OG-CH2 3.47Å; S91-W242 VanDerWaalsContact OG-CZ2 3.29Å; S91-W242 WeakPolarHBondContact OG-CZ2 3.25Å; S91-W242 WeakPolarHBondContact OG-CZ3 3.14Å; S91-P243 WeakPolarHBondContact O-CD 3.14Å
92G51.6Low78.6Confident1 Ų126 Ų261%0.0113%0.127CC..SBendtrans-137.690.8-163.100000114.9W96G92-W96 WeakPolarHBondContact O-CB 3.5Å
93I73.1Confident78.9Confident30 Ų3032.3 Ų32.315%0.15414%0.142CC..  trans49.8127.8164.1-31.3-176.9000117.1Y95 W96 M97 P243 E249I93-Y95 PolarHBondContact O-N 3.3Å; I93-W96 HydrophobicContact CB-CD2 4.2Å; I93-W96 HydrophobicContact CB-CG 4.07Å; I93-W96 HydrophobicContact CD1-CD2 4.05Å; I93-W96 VanDerWaalsContact CD1-CE2 3.42Å; I93-W96 HydrophobicContact CD1-CG 4.37Å; I93-W96 HydrophobicContact CD1-CH2 4.44Å; I93-W96 HydrophobicContact CD1-CZ2 3.64Å; I93-W96 HydrophobicContact CG1-CD2 3.88Å; I93-W96 HydrophobicContact CG1-CE3 4.32Å; I93-W96 HydrophobicContact CG1-CG 4.23Å; I93-W96 HydrophobicContact CG1-CH2 4.45Å; I93-W96 HydrophobicContact CG1-CZ2 4.06Å; I93-W96 PolarHBondContact O-N 2.87Å; I93-M97 PolarHBondContact O-N 2.93Å; I93-M97 VanDerWaalsContact O-N 3.15Å; I93-P243 HydrophobicContact CD1-CB 3.6Å; I93-P243 HydrophobicContact CG1-CB 3.31Å; I93-P243 HydrophobicContact CG1-CG 3.73Å; I93-E249 WeakPolarHBondContact CD1-OE2 3.31Å; I93-E249 WeakPolarHBondContact CG1-OE2 3.49Å; I93-E249 HydrophobicContact CG2-CB 4.26Å; I93-E249 WeakPolarHBondContact CG2-OE2 3.48Å
94A85.8Confident79.3Confident1 Ų133.7 Ų33.71%0.00815%0.148CC..Hα-helixtrans-51.1-29.6166.800000112.6M97 A98 V111 W154 L250 K253 V255A94-M97 WeakPolarHBondContact O-CB 3.27Å; A94-M97 PolarHBondContact O-N 3.46Å; A94-A98 PolarHBondContact O-N 3.06Å; A94-V111 HydrophobicContact CB-CG1 3.79Å; A94-V111 HydrophobicContact CB-CG2 4Å; A94-V111 VanDerWaalsContact O-CG2 3.3Å; A94-V111 WeakPolarHBondContact O-CG2 3.43Å; A94-W154 HydrophobicContact CB-CH2 4.35Å; A94-L250 HydrophobicContact CB-CD2 4.36Å; A94-K253 HydrophobicContact CB-CB 3.73Å; A94-K253 HydrophobicContact CB-CG 4.48Å; A94-V255 HydrophobicContact CB-CG2 4Å; A94-V255 VanDerWaalsContact O-CG2 3.32Å; A94-V255 WeakPolarHBondContact O-CG2 3.44Å
95Y89.3Confident79.7Confident135 Ų13533.8 Ų33.853%0.52915%0.149SC..Hα-helixtrans-69.1-36.9174.3-174.8-107.8000113.9I93 A98 Q99I93-Y95 PolarHBondContact O-N 3.3Å; Y95-A98 PolarHBondContact O-N 2.88Å; Y95-Q99 HydrophobicContact CD1-CG 4.32Å; Y95-Q99 HydrophobicContact CE1-CG 3.92Å; Y95-Q99 HydrophobicContact CE2-CG 4.44Å; Y95-Q99 WeakPolarHBondContact O-CB 3.05Å; Y95-Q99 WeakPolarHBondContact O-CG 3.12Å; Y95-Q99 PolarHBondContact O-N 3.5Å; Y95-Q99 PolarHBondContact O-NE2 3.1Å
96W89.9Confident80.3Confident51 Ų5136.3 Ų36.319%0.19317%0.165CC..Hα-helixtrans-69.9-38.1173.5-62.7-11.8000110.8I83 G92 I93 A98 Q99 L100 K241 P243I83-W96 HydrophobicContact CB-CB 4.21Å; I83-W96 HydrophobicContact CB-CD2 3.84Å; I83-W96 HydrophobicContact CB-CE3 3.65Å; I83-W96 HydrophobicContact CB-CG 4.1Å; I83-W96 HydrophobicContact CB-CZ3 4.35Å; I83-W96 HydrophobicContact CD1-CB 3.94Å; I83-W96 HydrophobicContact CG2-CB 4.09Å; I83-W96 HydrophobicContact CG2-CD2 3.61Å; I83-W96 HydrophobicContact CG2-CE3 3.94Å; I83-W96 HydrophobicContact CG2-CG 3.67Å; G92-W96 WeakPolarHBondContact O-CB 3.5Å; I93-W96 HydrophobicContact CB-CD2 4.2Å; I93-W96 HydrophobicContact CB-CG 4.07Å; I93-W96 HydrophobicContact CD1-CD2 4.05Å; I93-W96 VanDerWaalsContact CD1-CE2 3.42Å; I93-W96 HydrophobicContact CD1-CG 4.37Å; I93-W96 HydrophobicContact CD1-CH2 4.44Å; I93-W96 HydrophobicContact CD1-CZ2 3.64Å; I93-W96 HydrophobicContact CG1-CD2 3.88Å; I93-W96 HydrophobicContact CG1-CE3 4.32Å; I93-W96 HydrophobicContact CG1-CG 4.23Å; I93-W96 HydrophobicContact CG1-CH2 4.45Å; I93-W96 HydrophobicContact CG1-CZ2 4.06Å; I93-W96 PolarHBondContact O-N 2.87Å; W96-A98 VanDerWaalsContact C-N 3.34Å; W96-A98 PolarHBondContact O-N 2.98Å; W96-Q99 PolarHBondContact O-N 3.27Å; W96-L100 WeakPolarHBondContact O-CB 3.37Å; W96-L100 PolarHBondContact O-N 2.88Å; W96-K241 HydrophobicContact CZ3-CB 4.32Å; W96-P243 HydrophobicContact CH2-CB 4.44Å
97M91.5Very high81.3Confident0 Ų033.8 Ų33.80%015%0.154CC..Hα-helixtrans-56.9-48.3170.6179.465.682.100111G52 L56 I89 I93 A94 L100 A101 L133 W154 V255G52-M97 WeakPolarHBondContact O-CE 3.35Å; L56-M97 HydrophobicContact CB-SD 4.03Å; L56-M97 HydrophobicContact CD1-SD 4.41Å; L56-M97 HydrophobicContact CD2-SD 4.15Å; L56-M97 HydrophobicContact CG-SD 4.43Å; I89-M97 HydrophobicContact CG2-CB 4.46Å; I89-M97 HydrophobicContact CG2-CE 3.45Å; I89-M97 VanDerWaalsContact CG2-CE 3.45Å; I89-M97 HydrophobicContact CG2-SD 4.23Å; I93-M97 PolarHBondContact O-N 2.93Å; I93-M97 VanDerWaalsContact O-N 3.15Å; A94-M97 WeakPolarHBondContact O-CB 3.27Å; A94-M97 PolarHBondContact O-N 3.46Å; M97-L100 PolarHBondContact O-N 3.1Å; M97-A101 WeakPolarHBondContact O-CB 3.13Å; M97-A101 PolarHBondContact O-N 2.74Å; M97-L133 HydrophobicContact CG-CD1 4.06Å; M97-L133 HydrophobicContact SD-CD1 4.19Å; M97-W154 HydrophobicContact CB-CH2 4.15Å; M97-W154 HydrophobicContact CB-CZ2 4.27Å; M97-W154 HydrophobicContact CE-CD2 3.87Å; M97-W154 HydrophobicContact CE-CE3 4.16Å; M97-W154 HydrophobicContact CE-CG 4.31Å; M97-W154 HydrophobicContact CE-CH2 4.37Å; M97-W154 HydrophobicContact CE-CZ2 4.07Å; M97-W154 HydrophobicContact CE-CZ3 4.4Å; M97-W154 HydrophobicContact CG-CH2 4.1Å; M97-W154 HydrophobicContact CG-CZ2 4.46Å; M97-W154 HydrophobicContact CG-CZ3 4.33Å; M97-V255 HydrophobicContact CB-CG2 4.15Å; M97-V255 HydrophobicContact CG-CB 4.38Å; M97-V255 HydrophobicContact CG-CG1 4.4Å; M97-V255 HydrophobicContact CG-CG2 4.01Å
98A94.1Very high82.4Confident4 Ų436.1 Ų36.13%0.03317%0.169CC..Hα-helixtrans-62.4-44.4176.700000112.3A94 Y95 W96 L100 A101 N102 A109 V111 V255A94-A98 PolarHBondContact O-N 3.06Å; Y95-A98 PolarHBondContact O-N 2.88Å; W96-A98 VanDerWaalsContact C-N 3.34Å; W96-A98 PolarHBondContact O-N 2.98Å; A98-L100 VanDerWaalsContact C-N 3.35Å; A98-L100 PolarHBondContact O-N 3.19Å; A98-A101 PolarHBondContact O-N 2.78Å; A98-N102 PolarHBondContact O-N 2.84Å; A98-N102 PolarHBondContact O-ND2 3.16Å; A98-A109 HydrophobicContact CB-CB 4.2Å; A98-A109 WeakPolarHBondContact O-CB 3.29Å; A98-V111 HydrophobicContact CB-CG2 3.88Å; A98-V255 HydrophobicContact CB-CG1 4.03Å
99Q92.7Very high83.5Confident69 Ų6936.4 Ų36.432%0.32217%0.172SC..Hα-helixtrans-61.8-42.4176.7-76.3177.997.300112.4M81 Y95 W96 A101 N102 R103M81-Q99 HydrophobicContact CE-CB 3.87Å; Y95-Q99 HydrophobicContact CD1-CG 4.32Å; Y95-Q99 HydrophobicContact CE1-CG 3.92Å; Y95-Q99 HydrophobicContact CE2-CG 4.44Å; Y95-Q99 WeakPolarHBondContact O-CB 3.05Å; Y95-Q99 WeakPolarHBondContact O-CG 3.12Å; Y95-Q99 PolarHBondContact O-N 3.5Å; Y95-Q99 PolarHBondContact O-NE2 3.1Å; W96-Q99 PolarHBondContact O-N 3.27Å; Q99-A101 VanDerWaalsContact C-N 3.35Å; Q99-N102 PolarHBondContact O-N 3.03Å; Q99-R103 WeakPolarHBondContact O-CB 3.43Å; Q99-R103 PolarHBondContact O-N 3.44Å
100L93.4Very high85.3Confident0 Ų042.5 Ų42.50%020%0.198CC..Hα-helixtrans-63.2-43.6177.1-177.761.8000111I53 L56 I74 T77 A78 M81 I83 I89 W96 M97 A98 R103 M104I53-L100 HydrophobicContact CD1-CD2 4.1Å; L56-L100 HydrophobicContact CD2-CB 4.31Å; L56-L100 HydrophobicContact CD2-CD2 3.8Å; L56-L100 HydrophobicContact CD2-CG 3.74Å; I74-L100 HydrophobicContact CG2-CD2 3.75Å; I74-L100 HydrophobicContact CG2-CG 4.23Å; T77-L100 HydrophobicContact CG2-CD1 3.8Å; A78-L100 HydrophobicContact CB-CD1 4.39Å; A78-L100 HydrophobicContact CB-CD2 4Å; M81-L100 HydrophobicContact SD-CD1 3.85Å; I83-L100 HydrophobicContact CD1-CB 4.19Å; I83-L100 HydrophobicContact CD1-CD2 4.44Å; I89-L100 HydrophobicContact CD1-CD2 3.23Å; W96-L100 WeakPolarHBondContact O-CB 3.37Å; W96-L100 PolarHBondContact O-N 2.88Å; M97-L100 PolarHBondContact O-N 3.1Å; A98-L100 VanDerWaalsContact C-N 3.35Å; A98-L100 PolarHBondContact O-N 3.19Å; L100-R103 PolarHBondContact O-N 3.19Å; L100-M104 HydrophobicContact CD1-CG 3.84Å; L100-M104 HydrophobicContact CG-CG 4.39Å; L100-M104 VanDerWaalsContact O-CB 3.31Å; L100-M104 WeakPolarHBondContact O-CB 3.33Å; L100-M104 VanDerWaalsContact O-CG 3.31Å; L100-M104 WeakPolarHBondContact O-CG 3.31Å; L100-M104 PolarHBondContact O-N 3.02Å
101A94.3Very high87.4Confident0 Ų044.3 Ų44.30%021%0.21CC..Hα-helixtrans-61.4-48.9176.200000112.3L56 M97 A98 Q99 R103 M104 L105 A109 L257L56-A101 HydrophobicContact CD1-CB 3.62Å; L56-A101 HydrophobicContact CD2-CB 4.42Å; M97-A101 WeakPolarHBondContact O-CB 3.13Å; M97-A101 PolarHBondContact O-N 2.74Å; A98-A101 PolarHBondContact O-N 2.78Å; Q99-A101 VanDerWaalsContact C-N 3.35Å; A101-R103 VanDerWaalsContact C-N 3.25Å; A101-R103 PolarHBondContact O-N 3.4Å; A101-M104 PolarHBondContact O-N 2.87Å; A101-L105 HydrophobicContact CB-CD1 4.5Å; A101-L105 WeakPolarHBondContact O-CB 3.37Å; A101-L105 PolarHBondContact O-N 3.38Å; A101-A109 HydrophobicContact CB-CB 3.52Å; A101-L257 HydrophobicContact CB-CD2 3.73Å
102N94.2Very high89.7Confident68 Ų6845.8 Ų45.836%0.36422%0.218SC..Hα-helixtrans-57.8-39.1176.1-76.1-67.7000111.8A98 Q99 C107 C108 A109A98-N102 PolarHBondContact O-N 2.84Å; A98-N102 PolarHBondContact O-ND2 3.16Å; Q99-N102 PolarHBondContact O-N 3.03Å; N102-C107 PolarHBondContact OD1-O 2.85Å; N102-C108 WeakPolarHBondContact OD1-CA 3.42Å; N102-A109 PolarHBondContact ND2-O 3.2Å; N102-A109 PolarHBondContact OD1-N 2.9Å
103R92.5Very high91.7Very high162 Ų16247.7 Ų47.761%0.61123%0.228SC*.Hα-helixtrans-73.1-34.5-178.8-173.3170.6-174.2166.71.1113.4T77 M81 Q99 L100 A101T77-R103 HydrophobicContact CG2-CG 4.48Å; M81-R103 VanDerWaalsContact CG-NH1 3.31Å; Q99-R103 WeakPolarHBondContact O-CB 3.43Å; Q99-R103 PolarHBondContact O-N 3.44Å; L100-R103 PolarHBondContact O-N 3.19Å; A101-R103 VanDerWaalsContact C-N 3.25Å; A101-R103 PolarHBondContact O-N 3.4Å
104M92.9Very high92.7Very high39 Ų3946.2 Ų46.219%0.19222%0.221CC..Hα-helixtrans-98.8-30.1-169.3-71.9-64.7-64.400114.2P69 Q73 I74 T77 L100 A101P69-M104 HydrophobicContact CB-CE 3.46Å; P69-M104 VanDerWaalsContact CB-CE 3.46Å; P69-M104 HydrophobicContact CG-CE 3.99Å; Q73-M104 HydrophobicContact CB-CE 4.25Å; I74-M104 HydrophobicContact CG1-CE 4Å; T77-M104 VanDerWaalsContact CB-SD 3.57Å; T77-M104 HydrophobicContact CG2-CG 4.11Å; T77-M104 HydrophobicContact CG2-SD 3.62Å; T77-M104 PolarHBondContact OG1-SD 2.95Å; L100-M104 HydrophobicContact CD1-CG 3.84Å; L100-M104 HydrophobicContact CG-CG 4.39Å; L100-M104 VanDerWaalsContact O-CB 3.31Å; L100-M104 WeakPolarHBondContact O-CB 3.33Å; L100-M104 VanDerWaalsContact O-CG 3.31Å; L100-M104 WeakPolarHBondContact O-CG 3.31Å; L100-M104 PolarHBondContact O-N 3.02Å; A101-M104 PolarHBondContact O-N 2.87Å
105L92.2Very high92.9Very high3 Ų350.1 Ų50.12%0.01625%0.248CC..SBendtrans-111.97.3-162.3-55.7-170.3000114.2L56 A60 L63 V65 P69 A101 C107L56-L105 HydrophobicContact CD1-CD1 3.52Å; L56-L105 HydrophobicContact CD1-CG 4.48Å; L56-L105 HydrophobicContact CG-CD1 4.15Å; A60-L105 HydrophobicContact CB-CD1 3.82Å; A60-L105 HydrophobicContact CB-CD2 3.39Å; A60-L105 HydrophobicContact CB-CG 4.25Å; L63-L105 HydrophobicContact CD1-CD1 4.32Å; V65-L105 HydrophobicContact CG1-CB 4.27Å; V65-L105 WeakPolarHBondContact CG1-O 3.4Å; P69-L105 HydrophobicContact CG-CD2 3.6Å; A101-L105 HydrophobicContact CB-CD1 4.5Å; A101-L105 WeakPolarHBondContact O-CB 3.37Å; A101-L105 PolarHBondContact O-N 3.38Å; L105-C107 HydrophobicContact CB-CB 4.15Å; L105-C107 PolarHBondContact O-N 2.9Å; L105-C107 VanDerWaalsContact O-N 3.08Å
106D89.3Confident93.1Very high119 Ų11948.9 Ų48.964%0.63625%0.251SS*.SBendtrans4641.3-174-165.227.5000111.9S260D106-S260 VanDerWaalsContact C-OG 3.22Å; D106-S260 WeakPolarHBondContact O-CB 3.45Å; D106-S260 PolarHBondContact O-OG 3.49Å
107C92.4Very high93.1Very high4 Ų447.7 Ų47.73%0.02725%0.248CC..EExtended strand (participates in β ladder)trans-127.4159.5-173.681.10000110L63 N102 L105 K258 S260L63-C107 HydrophobicContact CD1-CB 4.22Å; N102-C107 PolarHBondContact OD1-O 2.85Å; L105-C107 HydrophobicContact CB-CB 4.15Å; L105-C107 PolarHBondContact O-N 2.9Å; L105-C107 VanDerWaalsContact O-N 3.08Å; C107-K258 CarbonylContact C-O 3.53Å; C107-K258 WeakPolarHBondContact CA-O 3.19Å; C107-K258 WeakPolarHBondContact CB-O 3.4Å; C107-S260 VanDerWaalsContact CA-OG 3.3Å; C107-S260 WeakPolarHBondContact CA-OG 3.36Å; C107-S260 PolarHBondContact N-OG 3.48Å
108C94.1Very high93Very high48 Ų4851.4 Ų51.432%0.32427%0.268SS..EExtended strand (participates in β ladder)trans-90.1104.5167.6-170.10000109.7N102 K110 K258N102-C108 WeakPolarHBondContact OD1-CA 3.42Å; C108-K110 VanDerWaalsContact SG-CE 3.53Å; C108-K258 HydrophobicContact CB-CB 4.5Å; C108-K258 PolarHBondContact N-O 2.84Å; C108-K258 PolarHBondContact O-N 3.15Å
109A95.4Very high92.8Very high6 Ų653.6 Ų53.65%0.0528%0.276CS..EExtended strand (participates in β ladder)trans-101.9130174.300000111.1A98 A101 N102 V255 T256 L257A98-A109 HydrophobicContact CB-CB 4.2Å; A98-A109 WeakPolarHBondContact O-CB 3.29Å; A101-A109 HydrophobicContact CB-CB 3.52Å; N102-A109 PolarHBondContact ND2-O 3.2Å; N102-A109 PolarHBondContact OD1-N 2.9Å; A109-V255 HydrophobicContact CB-CG1 4.3Å; A109-T256 WeakPolarHBondContact CA-O 3.44Å; A109-L257 HydrophobicContact CB-CD2 3.39Å
110K95.1Very high92.7Very high130 Ų13054.8 Ų54.857%0.56528%0.277SS*.EExtended strand (participates in β ladder)trans-131144-179.6-64.6-176.8-177.9178.90111.2C108 V255 T256C108-K110 VanDerWaalsContact SG-CE 3.53Å; K110-V255 WeakPolarHBondContact O-CA 3.44Å; K110-T256 PolarHBondContact N-O 2.92Å; K110-T256 PolarHBondContact O-N 3.01Å; K110-T256 PolarHBondContact O-OG1 3.49Å
111V95.1Very high92.8Very high54 Ų5458.9 Ų58.933%0.32730%0.296SS..EExtended strand (participates in β ladder)trans-86.9129.3167.7-174.30000108.1A94 A98 K253 V254 V255A94-V111 HydrophobicContact CB-CG1 3.79Å; A94-V111 HydrophobicContact CB-CG2 4Å; A94-V111 VanDerWaalsContact O-CG2 3.3Å; A94-V111 WeakPolarHBondContact O-CG2 3.43Å; A98-V111 HydrophobicContact CB-CG2 3.88Å; V111-K253 HydrophobicContact CG1-CB 4Å; V111-K253 HydrophobicContact CG1-CD 4.13Å; V111-K253 HydrophobicContact CG1-CG 4.28Å; V111-V254 WeakPolarHBondContact CA-O 3.48Å; V111-V255 HydrophobicContact CG2-CG2 4.36Å
112V94.7Very high92.7Very high37 Ų3759 Ų5922%0.22430%0.297CS..EExtended strand (participates in β ladder)trans-126.4146.9176.1-167.50000108.4L117 V254 T256V112-L117 HydrophobicContact CB-CD1 3.99Å; V112-L117 HydrophobicContact CB-CG 4.43Å; V112-L117 HydrophobicContact CG1-CD1 3.86Å; V112-L117 HydrophobicContact CG1-CD2 4.01Å; V112-L117 HydrophobicContact CG1-CG 3.74Å; V112-V254 HydrophobicContact CB-CG2 4.18Å; V112-V254 PolarHBondContact N-O 3.19Å; V112-V254 PolarHBondContact O-N 2.97Å; V112-T256 HydrophobicContact CG2-CG2 4.02Å
113D94Very high92.7Very high41 Ų4155.9 Ų55.922%0.21928%0.28CS..EExtended strand (participates in β ladder)trans-72.9132.1167.9-154.5-59.3000109.8S115 D116 G252 K253D113-S115 PolarHBondContact O-N 3.11Å; D113-S115 WeakPolarHBondContact OD1-CB 3.5Å; D113-S115 PolarHBondContact OD1-N 3.07Å; D113-S115 PolarHBondContact OD1-OG 3.24Å; D113-D116 HydrophobicContact CB-CB 4.47Å; D113-D116 WeakPolarHBondContact CB-OD2 3.39Å; D113-D116 WeakPolarHBondContact O-CB 3.5Å; D113-D116 PolarHBondContact O-N 2.93Å; D113-G252 CarbonylContact C-O 3.03Å; D113-G252 VanDerWaalsContact CA-O 3.31Å; D113-G252 WeakPolarHBondContact CA-O 3.09Å; D113-G252 VanDerWaalsContact OD1-O 3.13Å; D113-K253 IonicContact OD2-NZ 2.8Å; D113-K253 PolarHBondContact OD2-NZ 2.79Å
114I93.4Very high92.8Very high0 Ų050.2 Ų50.20%026%0.261CS..THydrogen-bonded Turntrans-69-19.1179.6-147.2174000111.6D116 I134 K218 N221 G252 V254I114-D116 VanDerWaalsContact C-N 3.25Å; I114-I134 HydrophobicContact CD1-CG2 4.49Å; I114-K218 HydrophobicContact CD1-CB 4.09Å; I114-K218 HydrophobicContact CD1-CG 3.67Å; I114-K218 HydrophobicContact CG1-CD 4.4Å; I114-K218 HydrophobicContact CG1-CG 4.01Å; I114-K218 VanDerWaalsContact O-CE 3.31Å; I114-K218 WeakPolarHBondContact O-CE 3.23Å; I114-K218 PolarHBondContact O-NZ 3.26Å; I114-N221 HydrophobicContact CD1-CB 3.93Å; I114-N221 WeakPolarHBondContact CG2-OD1 3.41Å; I114-G252 PolarHBondContact N-O 2.66Å; I114-V254 HydrophobicContact CB-CG1 4.04Å; I114-V254 HydrophobicContact CD1-CG1 3.51Å; I114-V254 HydrophobicContact CG1-CG1 3.65Å
115S91.3Very high92.9Very high83 Ų8350 Ų5058%0.5826%0.259SS*.THydrogen-bonded Turntrans-65.8-32.1169.665.30000112.1D113 L117D113-S115 PolarHBondContact O-N 3.11Å; D113-S115 WeakPolarHBondContact OD1-CB 3.5Å; D113-S115 PolarHBondContact OD1-N 3.07Å; D113-S115 PolarHBondContact OD1-OG 3.24Å; S115-L117 VanDerWaalsContact C-N 3.28Å
116D91.9Very high93Very high109 Ų10949.9 Ų49.958%0.58326%0.259SS*.SBendtrans-84.6-8-176.1-56.8-17000112.1D113 I114D113-D116 HydrophobicContact CB-CB 4.47Å; D113-D116 WeakPolarHBondContact CB-OD2 3.39Å; D113-D116 WeakPolarHBondContact O-CB 3.5Å; D113-D116 PolarHBondContact O-N 2.93Å; I114-D116 VanDerWaalsContact C-N 3.25Å
117L90.5Very high93.2Very high26 Ų2645.3 Ų45.314%0.13623%0.234CC..  trans-109.6106.5178.9-64.9175.8000110.4V112 S115 E121 I122 K218 V254 T256V112-L117 HydrophobicContact CB-CD1 3.99Å; V112-L117 HydrophobicContact CB-CG 4.43Å; V112-L117 HydrophobicContact CG1-CD1 3.86Å; V112-L117 HydrophobicContact CG1-CD2 4.01Å; V112-L117 HydrophobicContact CG1-CG 3.74Å; S115-L117 VanDerWaalsContact C-N 3.28Å; L117-E121 WeakPolarHBondContact CA-OE2 3.38Å; L117-E121 HydrophobicContact CD2-CB 4.15Å; L117-I122 HydrophobicContact CB-CD1 4.23Å; L117-I122 HydrophobicContact CB-CG1 3.91Å; L117-I122 HydrophobicContact CD1-CG1 4.38Å; L117-K218 PolarHBondContact O-NZ 3.16Å; L117-V254 HydrophobicContact CD1-CG2 3.56Å; L117-T256 HydrophobicContact CD1-CG2 4.41Å
118N90Very high93.1Very high78 Ų7849.3 Ų49.342%0.41726%0.255SS..  trans-72.2170.8169.472.548.8000111.4R120 E121 I122N118-R120 VanDerWaalsContact C-N 3.27Å; N118-R120 PolarHBondContact O-N 2.9Å; N118-R120 WeakPolarHBondContact OD1-CA 3.47Å; N118-R120 VanDerWaalsContact OD1-CB 3.26Å; N118-R120 WeakPolarHBondContact OD1-CB 3.32Å; N118-R120 PolarHBondContact OD1-N 3.41Å; N118-E121 PolarHBondContact N-OE2 2.94Å; N118-E121 VanDerWaalsContact ND2-CD 3.3Å; N118-E121 PolarHBondContact ND2-OE2 3.3Å; N118-E121 PolarHBondContact O-N 2.86Å; N118-E121 PolarHBondContact OD1-N 3.31Å; N118-I122 PolarHBondContact O-N 2.92Å
119Y88.6Confident93.1Very high49 Ų4949.2 Ų49.219%0.19225%0.251CS..Hα-helixtrans-51.6-47.7-179.4-175.3-81.6000112.2E121 I122 V123 L190 V197 L214Y119-E121 PolarHBondContact O-N 3.27Å; Y119-I122 PolarHBondContact O-N 3.12Å; Y119-V123 HydrophobicContact CD1-CG2 4.21Å; Y119-V123 HydrophobicContact CE1-CG2 3.55Å; Y119-V123 PolarHBondContact O-N 2.98Å; Y119-L190 HydrophobicContact CD1-CD2 4.06Å; Y119-L190 HydrophobicContact CE1-CD2 4.04Å; Y119-V197 HydrophobicContact CE1-CB 3.95Å; Y119-V197 HydrophobicContact CE1-CG1 4.32Å; Y119-V197 WeakPolarHBondContact OH-CB 3.33Å; Y119-V197 WeakPolarHBondContact OH-CG1 3.28Å; Y119-V197 PolarHBondContact OH-O 3.37Å; Y119-L214 HydrophobicContact CD2-CB 4.06Å; Y119-L214 HydrophobicContact CD2-CD2 3.64Å; Y119-L214 HydrophobicContact CD2-CG 4.29Å; Y119-L214 HydrophobicContact CE2-CB 3.65Å; Y119-L214 HydrophobicContact CE2-CD2 3.63Å; Y119-L214 HydrophobicContact CE2-CG 4.23Å; Y119-L214 HydrophobicContact CG-CD2 4.28Å
120R92.4Very high93Very high95 Ų9549.1 Ų49.136%0.35825%0.251SS..Hα-helixtrans-64.2-42-178.1-179.4178.5-174.8113.73.8111.7N118 I122 V123 E124 L190 N191N118-R120 VanDerWaalsContact C-N 3.27Å; N118-R120 PolarHBondContact O-N 2.9Å; N118-R120 WeakPolarHBondContact OD1-CA 3.47Å; N118-R120 VanDerWaalsContact OD1-CB 3.26Å; N118-R120 WeakPolarHBondContact OD1-CB 3.32Å; N118-R120 PolarHBondContact OD1-N 3.41Å; R120-I122 VanDerWaalsContact C-N 3.35Å; R120-I122 PolarHBondContact O-N 3.34Å; R120-V123 PolarHBondContact O-N 2.9Å; R120-E124 HydrophobicContact CG-CG 4.13Å; R120-E124 IonicContact NH2-OE1 3.98Å; R120-E124 WeakPolarHBondContact O-CB 3.44Å; R120-E124 VanDerWaalsContact O-CG 3.29Å; R120-E124 WeakPolarHBondContact O-CG 3.34Å; R120-E124 PolarHBondContact O-N 3.13Å; R120-L190 HydrophobicContact CB-CD2 4.18Å; R120-L190 HydrophobicContact CG-CD1 4.09Å; R120-L190 HydrophobicContact CG-CD2 4.15Å; R120-L190 PolarHBondContact NH1-O 3.4Å; R120-N191 PolarHBondContact NH1-OD1 3.16Å
121E93.7Very high93Very high85 Ų8543 Ų4340%0.39723%0.225SC..Hα-helixtrans-64.9-37.9-179.4-71.7166.4143.700112.2L117 N118 Y119 H125L117-E121 WeakPolarHBondContact CA-OE2 3.38Å; L117-E121 HydrophobicContact CD2-CB 4.15Å; N118-E121 PolarHBondContact N-OE2 2.94Å; N118-E121 VanDerWaalsContact ND2-CD 3.3Å; N118-E121 PolarHBondContact ND2-OE2 3.3Å; N118-E121 PolarHBondContact O-N 2.86Å; N118-E121 PolarHBondContact OD1-N 3.31Å; Y119-E121 PolarHBondContact O-N 3.27Å; E121-H125 WeakPolarHBondContact O-CB 3.43Å; E121-H125 PolarHBondContact O-N 2.98Å
122I93.6Very high93.1Very high4 Ų440.5 Ų40.52%0.02121%0.209CC..Hα-helixtrans-65.6-45.6175.5-65.2175.3000110.5L117 N118 Y119 R120 H125 L126 L157 L214 K218L117-I122 HydrophobicContact CB-CD1 4.23Å; L117-I122 HydrophobicContact CB-CG1 3.91Å; L117-I122 HydrophobicContact CD1-CG1 4.38Å; N118-I122 PolarHBondContact O-N 2.92Å; Y119-I122 PolarHBondContact O-N 3.12Å; R120-I122 VanDerWaalsContact C-N 3.35Å; R120-I122 PolarHBondContact O-N 3.34Å; I122-H125 PolarHBondContact O-N 3.1Å; I122-L126 WeakPolarHBondContact O-CB 3.45Å; I122-L126 PolarHBondContact O-N 3.46Å; I122-L157 HydrophobicContact CG2-CD1 3.85Å; I122-L214 HydrophobicContact CB-CD2 4.01Å; I122-L214 HydrophobicContact CD1-CD1 4.18Å; I122-L214 HydrophobicContact CD1-CD2 3.98Å; I122-L214 HydrophobicContact CD1-CG 4.38Å; I122-L214 HydrophobicContact CG2-CD1 4.31Å; I122-L214 HydrophobicContact CG2-CD2 3.95Å; I122-K218 HydrophobicContact CD1-CD 4.28Å
123V93.9Very high93.1Very high2 Ų238.7 Ų38.71%0.01220%0.199CC..Hα-helixtrans-64.3-47.5178.6170.20000111.4Y119 R120 H125 L126 L127 L160 L190Y119-V123 HydrophobicContact CD1-CG2 4.21Å; Y119-V123 HydrophobicContact CE1-CG2 3.55Å; Y119-V123 PolarHBondContact O-N 2.98Å; R120-V123 PolarHBondContact O-N 2.9Å; V123-H125 VanDerWaalsContact C-N 3.31Å; V123-H125 PolarHBondContact O-N 2.84Å; V123-L126 PolarHBondContact O-N 2.88Å; V123-L127 HydrophobicContact CG1-CD1 3.9Å; V123-L127 HydrophobicContact CG1-CG 4.47Å; V123-L127 VanDerWaalsContact O-CG 3.31Å; V123-L127 WeakPolarHBondContact O-CG 3.41Å; V123-L127 PolarHBondContact O-N 2.89Å; V123-L160 HydrophobicContact CG1-CD1 3.78Å; V123-L160 HydrophobicContact CG2-CD2 4.11Å; V123-L190 HydrophobicContact CB-CD2 4.17Å; V123-L190 HydrophobicContact CG1-CD1 4.01Å; V123-L190 HydrophobicContact CG1-CD2 4.12Å; V123-L190 HydrophobicContact CG1-CG 4.37Å; V123-L190 HydrophobicContact CG2-CD2 4.45Å
124E94Very high93.2Very high43 Ų4336.8 Ų36.820%0.20119%0.188CC..Hα-helixtrans-63.2-38.4177.4-72.8-71.6176.700111.4R120 N128 L190R120-E124 HydrophobicContact CG-CG 4.13Å; R120-E124 IonicContact NH2-OE1 3.98Å; R120-E124 WeakPolarHBondContact O-CB 3.44Å; R120-E124 VanDerWaalsContact O-CG 3.29Å; R120-E124 WeakPolarHBondContact O-CG 3.34Å; R120-E124 PolarHBondContact O-N 3.13Å; E124-N128 VanDerWaalsContact O-CB 3.25Å; E124-N128 WeakPolarHBondContact O-CB 3.08Å; E124-N128 VanDerWaalsContact O-CG 3.31Å; E124-N128 PolarHBondContact O-N 2.83Å; E124-N128 PolarHBondContact O-ND2 3.46Å; E124-N128 PolarHBondContact OE2-ND2 3.13Å; E124-L190 HydrophobicContact CG-CD1 4.21Å
125H94.6Very high93.3Very high34 Ų3436.9 Ų36.916%0.15719%0.189CC..Hα-helixtrans-64-47.9174.5-171.295.7000111.3E121 I122 V123 L127 N128 N129 G130 T256 L257E121-H125 WeakPolarHBondContact O-CB 3.43Å; E121-H125 PolarHBondContact O-N 2.98Å; I122-H125 PolarHBondContact O-N 3.1Å; V123-H125 VanDerWaalsContact C-N 3.31Å; V123-H125 PolarHBondContact O-N 2.84Å; H125-L127 VanDerWaalsContact C-N 3.28Å; H125-L127 PolarHBondContact O-N 3.24Å; H125-N128 PolarHBondContact O-N 3.33Å; H125-N129 PolarHBondContact CE1-ND2 3.24Å; H125-N129 PolarHBondContact ND1-ND2 2.89Å; H125-N129 VanDerWaalsContact ND1-ND2 3.15Å; H125-N129 WeakPolarHBondContact O-CA 3.37Å; H125-N129 WeakPolarHBondContact O-CB 3.45Å; H125-N129 PolarHBondContact O-N 3.09Å; H125-G130 PolarHBondContact O-N 3.23Å; H125-T256 VanDerWaalsContact CE1-CB 3.49Å; H125-T256 WeakPolarHBondContact CE1-CB 3.3Å; H125-T256 WeakPolarHBondContact NE2-CB 3.03Å; H125-L257 PolarHBondContact NE2-O 2.84Å; H125-L257 VanDerWaalsContact NE2-O 3.12Å
126L94.5Very high93.4Very high1 Ų132.9 Ų32.91%0.00516%0.161CC..Hα-helixtrans-55.9-45.7179.1-175.267.3000111.1F38 I122 V123 G130 L157 L160F38-L126 HydrophobicContact CE2-CD1 3.67Å; F38-L126 HydrophobicContact CE2-CG 4.41Å; F38-L126 HydrophobicContact CZ-CD1 3.83Å; F38-L126 HydrophobicContact CZ-CG 4.23Å; F38-L126 VanDerWaalsContact CZ-O 3.26Å; F38-L126 WeakPolarHBondContact CZ-O 3.37Å; I122-L126 WeakPolarHBondContact O-CB 3.45Å; I122-L126 PolarHBondContact O-N 3.46Å; V123-L126 PolarHBondContact O-N 2.88Å; L126-G130 WeakPolarHBondContact CA-O 3.49Å; L126-G130 PolarHBondContact O-N 2.91Å; L126-L157 HydrophobicContact CD1-CB 3.99Å; L126-L157 WeakPolarHBondContact CD1-O 3.5Å; L126-L157 HydrophobicContact CD2-CB 4.47Å; L126-L160 HydrophobicContact CD2-CD2 3.73Å; L126-L160 HydrophobicContact CD2-CG 3.97Å
127L93.5Very high93.5Very high23 Ų2327.7 Ų27.712%0.1213%0.134CC..Hα-helixtrans-80.1-29.9-174.8-64.3178.9000114.4Y36 V123 H125 L160 I182 R186Y36-L127 HydrophobicContact CD1-CD2 3.63Å; Y36-L127 HydrophobicContact CE1-CD2 3.42Å; Y36-L127 VanDerWaalsContact CE1-CD2 3.42Å; V123-L127 HydrophobicContact CG1-CD1 3.9Å; V123-L127 HydrophobicContact CG1-CG 4.47Å; V123-L127 VanDerWaalsContact O-CG 3.31Å; V123-L127 WeakPolarHBondContact O-CG 3.41Å; V123-L127 PolarHBondContact O-N 2.89Å; H125-L127 VanDerWaalsContact C-N 3.28Å; H125-L127 PolarHBondContact O-N 3.24Å; L127-L160 HydrophobicContact CD1-CD1 3.7Å; L127-L160 HydrophobicContact CD2-CD1 3.74Å; L127-L160 HydrophobicContact CG-CD1 3.86Å; L127-I182 HydrophobicContact CD1-CD1 4.36Å; L127-I182 HydrophobicContact CD1-CG1 3.89Å; L127-I182 HydrophobicContact CD2-CD1 4.43Å; L127-I182 HydrophobicContact CD2-CG1 3.61Å; L127-I182 HydrophobicContact CG-CG1 4.41Å; L127-R186 HydrophobicContact CD1-CB 3.53Å; L127-R186 HydrophobicContact CD1-CG 4.04Å
128N91.9Very high93.7Very high88 Ų8826.5 Ų26.547%0.47113%0.127SC..Hα-helixtrans-101-21.9-175.6-60.1-44.7000113.9E124 H125 R186E124-N128 VanDerWaalsContact O-CB 3.25Å; E124-N128 WeakPolarHBondContact O-CB 3.08Å; E124-N128 VanDerWaalsContact O-CG 3.31Å; E124-N128 PolarHBondContact O-N 2.83Å; E124-N128 PolarHBondContact O-ND2 3.46Å; E124-N128 PolarHBondContact OE2-ND2 3.13Å; H125-N128 PolarHBondContact O-N 3.33Å; N128-R186 PolarHBondContact OD1-NH1 3.11Å
129N93Very high93.9Very high45 Ų4524.6 Ų24.624%0.24112%0.117CC..THydrogen-bonded Turntrans-122.1-42.4-173.6-59.6-53.1000113.3H125 K258H125-N129 PolarHBondContact CE1-ND2 3.24Å; H125-N129 PolarHBondContact ND1-ND2 2.89Å; H125-N129 VanDerWaalsContact ND1-ND2 3.15Å; H125-N129 WeakPolarHBondContact O-CA 3.37Å; H125-N129 WeakPolarHBondContact O-CB 3.45Å; H125-N129 PolarHBondContact O-N 3.09Å; N129-K258 HydrophobicContact CB-CB 3.99Å; N129-K258 HydrophobicContact CB-CG 3.87Å; N129-K258 WeakPolarHBondContact OD1-CG 3.27Å
130G93.1Very high94.2Very high5 Ų531.1 Ų31.15%0.05215%0.147CC..  trans139.8-167.2179.500000114.7H125 L126H125-G130 PolarHBondContact O-N 3.23Å; L126-G130 WeakPolarHBondContact CA-O 3.49Å; L126-G130 PolarHBondContact O-N 2.91Å
131P95.8Very high94.2Very high0 Ų030.3 Ų30.30%015%0.149CC..  trans-62.3149-17327.3-37.7000113.4F38 A59 C62 L63 V156 L157 L257F38-P131 HydrophobicContact CE2-CB 4.3Å; A59-P131 HydrophobicContact CB-CB 4.1Å; A59-P131 HydrophobicContact CB-CG 3.74Å; A59-P131 WeakPolarHBondContact O-CG 3.36Å; C62-P131 HydrophobicContact CB-CB 4.29Å; C62-P131 HydrophobicContact CB-CG 3.9Å; L63-P131 HydrophobicContact CD2-CG 4.4Å; L63-P131 HydrophobicContact CG-CG 4.04Å; P131-V156 HydrophobicContact CB-CG2 3.65Å; P131-L157 WeakPolarHBondContact CA-O 3.36Å; P131-L157 WeakPolarHBondContact CB-O 3.3Å; P131-L257 HydrophobicContact CG-CD1 4.13Å
132V96.5Very high94.3Very high2 Ų229.3 Ų29.31%0.01214%0.144CC..EExtended strand (participates in β ladder)trans-114.5127.9176.4-174.70000109.2I134 V156 L157 V254 T256V132-I134 HydrophobicContact CG1-CD1 4.17Å; V132-I134 HydrophobicContact CG1-CG1 3.9Å; V132-V156 CarbonylContact O-C 2.97Å; V132-V156 WeakPolarHBondContact O-CA 3.42Å; V132-L157 HydrophobicContact CB-CB 4.35Å; V132-L157 HydrophobicContact CB-CD1 4.2Å; V132-L157 HydrophobicContact CB-CG 4.28Å; V132-L157 PolarHBondContact O-N 2.95Å; V132-V254 HydrophobicContact CG1-CB 4.34Å; V132-T256 HydrophobicContact CG1-CG2 4.37Å
133L96.1Very high94.4Very high0 Ų032.8 Ų32.80%016%0.16CC..EExtended strand (participates in β ladder)trans-92.6125.6176.5-69.1155.8000109.4A55 L56 A59 M97 W154 C155 V156 V255 L257A55-L133 HydrophobicContact CB-CD2 3.56Å; L56-L133 HydrophobicContact CD1-CD1 3.99Å; A59-L133 HydrophobicContact CB-CD2 4.37Å; A59-L133 HydrophobicContact CB-CG 4.47Å; M97-L133 HydrophobicContact CG-CD1 4.06Å; M97-L133 HydrophobicContact SD-CD1 4.19Å; L133-W154 HydrophobicContact CB-CE3 3.99Å; L133-W154 HydrophobicContact CB-CZ3 3.83Å; L133-C155 WeakPolarHBondContact CA-O 3.18Å; L133-V156 HydrophobicContact CD2-CB 4.06Å; L133-V156 HydrophobicContact CD2-CG2 4.36Å; L133-V255 HydrophobicContact CB-CB 4.07Å; L133-V255 HydrophobicContact CD1-CB 4.32Å; L133-V255 HydrophobicContact CD1-CG1 4.28Å; L133-V255 PolarHBondContact N-O 3.42Å; L133-V255 PolarHBondContact O-N 2.93Å; L133-L257 HydrophobicContact CD1-CD1 3.85Å; L133-L257 HydrophobicContact CD1-CD2 4.49Å; L133-L257 HydrophobicContact CD1-CG 4.35Å; L133-L257 HydrophobicContact CG-CD1 4.38Å
134I95.5Very high94.6Very high0 Ų033.8 Ų33.80%017%0.167CC..EExtended strand (participates in β ladder)trans-130.3119.9-176.5-56.1-173.5000109.4I114 V132 C155 L157 L217 N221 V254I114-I134 HydrophobicContact CD1-CG2 4.49Å; V132-I134 HydrophobicContact CG1-CD1 4.17Å; V132-I134 HydrophobicContact CG1-CG1 3.9Å; I134-C155 PolarHBondContact N-O 2.9Å; I134-C155 PolarHBondContact O-N 2.85Å; I134-C155 PolarHBondContact O-SG 2.94Å; I134-L157 HydrophobicContact CD1-CD1 3.81Å; I134-L157 HydrophobicContact CD1-CD2 4.44Å; I134-L157 HydrophobicContact CD1-CG 4.07Å; I134-L217 HydrophobicContact CB-CD2 4.48Å; I134-L217 HydrophobicContact CD1-CD2 3.87Å; I134-L217 HydrophobicContact CG2-CD1 4.23Å; I134-L217 HydrophobicContact CG2-CD2 4.36Å; I134-L217 HydrophobicContact CG2-CG 4.15Å; I134-N221 HydrophobicContact CG2-CB 4.09Å; I134-V254 HydrophobicContact CB-CG1 4.35Å; I134-V254 HydrophobicContact CD1-CG1 4.13Å; I134-V254 HydrophobicContact CG1-CB 4.22Å; I134-V254 HydrophobicContact CG1-CG1 3.76Å; I134-V254 HydrophobicContact CG2-CG1 4.12Å
135P94.2Very high94.8Very high2 Ų232.5 Ų32.51%0.01316%0.162CC..EExtended strand (participates in β ladder)trans-74.3140.3167.228.5-25.4000109.5H153 W154 N221 L224 L250 K253P135-H153 CarbonylContact C-O 3.6Å; P135-H153 WeakPolarHBondContact CA-O 3.44Å; P135-W154 HydrophobicContact CB-CD2 4.1Å; P135-W154 HydrophobicContact CB-CE3 4.24Å; P135-W154 HydrophobicContact CB-CH2 4.4Å; P135-W154 HydrophobicContact CB-CZ2 4.27Å; P135-W154 HydrophobicContact CB-CZ3 4.39Å; P135-W154 HydrophobicContact CG-CE3 4.42Å; P135-W154 HydrophobicContact CG-CH2 4.01Å; P135-W154 HydrophobicContact CG-CZ2 4.27Å; P135-W154 HydrophobicContact CG-CZ3 4.1Å; P135-N221 WeakPolarHBondContact CD-ND2 2.87Å; P135-N221 WeakPolarHBondContact CG-ND2 3.29Å; P135-N221 WeakPolarHBondContact O-CA 3.43Å; P135-N221 VanDerWaalsContact O-CB 3.29Å; P135-N221 WeakPolarHBondContact O-CB 3.29Å; P135-N221 PolarHBondContact O-ND2 3.5Å; P135-L224 HydrophobicContact CB-CD1 3.82Å; P135-L224 HydrophobicContact CG-CD1 4.25Å; P135-L250 HydrophobicContact CB-CB 4.32Å; P135-L250 HydrophobicContact CB-CD1 4.45Å; P135-L250 HydrophobicContact CG-CB 4.11Å; P135-L250 HydrophobicContact CG-CD2 4.34Å; P135-K253 WeakPolarHBondContact CD-O 3.21Å; P135-K253 WeakPolarHBondContact CG-O 3.25Å
136Y95Very high94.9Very high0 Ų036 Ų360%018%0.182CC..EExtended strand (participates in β ladder)trans-153.5164.3-175.979.2-70.5000111.1F142 P144 A152 H153 C155 W212 L217Y136-F142 WeakPolarHBondContact CE2-O 3.49Å; Y136-F142 PolarHBondContact OH-O 3.17Å; Y136-P144 HydrophobicContact CD2-CB 3.99Å; Y136-P144 HydrophobicContact CD2-CG 4.08Å; Y136-P144 HydrophobicContact CE2-CG 4.32Å; Y136-A152 CarbonylContact O-C 3.59Å; Y136-A152 WeakPolarHBondContact O-CA 3.47Å; Y136-H153 HydrophobicContact CD1-CB 4.27Å; Y136-H153 WeakPolarHBondContact CD1-O 3.35Å; Y136-H153 HydrophobicContact CE1-CB 3.85Å; Y136-H153 AromaticContact CE1-CD2 3.98Å; Y136-H153 PolarHBondContact N-O 2.77Å; Y136-H153 PolarHBondContact O-N 3.33Å; Y136-C155 HydrophobicContact CD1-CB 3.88Å; Y136-C155 HydrophobicContact CE1-CB 3.58Å; Y136-W212 HydrophobicContact CE1-CH2 4.39Å; Y136-W212 HydrophobicContact CE2-CH2 4.11Å; Y136-W212 HydrophobicContact CE2-CZ3 4.28Å; Y136-W212 AromaticContact CZ-CH2 3.77Å; Y136-L217 HydrophobicContact CD2-CD1 4.16Å; Y136-L217 HydrophobicContact CG-CD1 3.87Å
137D93.7Very high94.9Very high0 Ų040.5 Ų40.50%020%0.201CC..EExtended strand (participates in β ladder)trans-88.8107.1176-16813.2000109.5C145 K147 G148 G149 N151 S220 L224D137-C145 PolarHBondContact O-N 2.81Å; D137-C145 PolarHBondContact O-SG 2.96Å; D137-K147 WeakPolarHBondContact OD2-CA 3.28Å; D137-K147 WeakPolarHBondContact OD2-CB 3.18Å; D137-K147 PolarHBondContact OD2-N 2.86Å; D137-G148 PolarHBondContact OD2-N 2.97Å; D137-G149 VanDerWaalsContact CG-CA 3.49Å; D137-G149 VanDerWaalsContact CG-N 3.28Å; D137-G149 PolarHBondContact OD2-N 2.99Å; D137-N151 PolarHBondContact OD1-N 2.85Å; D137-S220 WeakPolarHBondContact CB-OG 3.34Å; D137-S220 PolarHBondContact N-OG 3.48Å; D137-S220 PolarHBondContact O-OG 3.21Å; D137-L224 HydrophobicContact CB-CD2 4.08Å
138S93.9Very high94.8Very high1 Ų140.3 Ų40.31%0.00720%0.204CC..BIsolated β-bridgetrans-84.4122.9-174161.70000111.3N151 K205S138-N151 WeakPolarHBondContact CB-O 3.18Å; S138-N151 PolarHBondContact N-O 3.01Å; S138-N151 VanDerWaalsContact N-O 3.11Å; S138-N151 WeakPolarHBondContact O-CB 3.38Å; S138-K205 PolarHBondContact OG-NZ 2.94Å
139D95Very high94.7Very high37 Ų3736.1 Ų36.120%0.19818%0.182CC..  trans-77.8178.8170.5-146.7-20.1000112.2N141 F142 E143 C145 K147D139-N141 WeakPolarHBondContact CB-OD1 3.5Å; D139-N141 PolarHBondContact O-N 2.89Å; D139-F142 VanDerWaalsContact O-CA 3.32Å; D139-F142 WeakPolarHBondContact O-CA 3.35Å; D139-F142 PolarHBondContact O-N 2.69Å; D139-E143 PolarHBondContact N-O 2.95Å; D139-C145 HydrophobicContact CB-CB 3.82Å; D139-K147 IonicContact OD1-NZ 2.66Å; D139-K147 PolarHBondContact OD1-NZ 3.03Å; D139-K147 WeakPolarHBondContact OD2-CE 3.45Å; D139-K147 IonicContact OD2-NZ 2.69Å; D139-K147 PolarHBondContact OD2-NZ 3.26Å
140K93.4Very high94.3Very high187 Ų18741.4 Ų41.481%0.81320%0.198SC*.THydrogen-bonded Turntrans-60.2-30.7176.5-65.8-176.2177.9-179.20113.1F142K140-F142 VanDerWaalsContact C-N 3.26Å
141N94.2Very high94.1Very high77 Ų7744.5 Ų44.541%0.41221%0.214SC..THydrogen-bonded Turntrans-886.2173.369.2-9.5000112.7D139 E143D139-N141 WeakPolarHBondContact CB-OD1 3.5Å; D139-N141 PolarHBondContact O-N 2.89Å; N141-E143 PolarHBondContact ND2-OE2 3.34Å; N141-E143 PolarHBondContact O-N 3.21Å; N141-E143 WeakPolarHBondContact OD1-CB 3.38Å; N141-E143 PolarHBondContact OD1-N 3.11Å; N141-E143 VanDerWaalsContact OD1-N 3.07Å
142F95Very high93.8Very high65 Ų6545.1 Ų45.129%0.28522%0.219SC..SBendtrans68.10.2-176.5-43.5-52000116.6Y136 D139 K140 H203 K205 W212Y136-F142 WeakPolarHBondContact CE2-O 3.49Å; Y136-F142 PolarHBondContact OH-O 3.17Å; D139-F142 VanDerWaalsContact O-CA 3.32Å; D139-F142 WeakPolarHBondContact O-CA 3.35Å; D139-F142 PolarHBondContact O-N 2.69Å; K140-F142 VanDerWaalsContact C-N 3.26Å; F142-H203 WeakPolarHBondContact CB-CE1 3.27Å; F142-H203 VanDerWaalsContact CB-NE2 3.33Å; F142-H203 WeakPolarHBondContact CB-NE2 3.35Å; F142-H203 AromaticContact CD1-CE1 3.96Å; F142-H203 AromaticContact CD2-CE1 3.65Å; F142-H203 AromaticContact CD2-NE2 3.98Å; F142-H203 AromaticContact CG-CE1 3.38Å; F142-H203 WeakPolarHBondContact CG-CE1 3.5Å; F142-H203 AromaticContact CG-NE2 3.79Å; F142-K205 HydrophobicContact CD1-CB 4Å; F142-K205 HydrophobicContact CD1-CD 3.83Å; F142-K205 HydrophobicContact CE1-CB 3.71Å; F142-K205 HydrophobicContact CE1-CD 3.83Å; F142-K205 HydrophobicContact CE1-CG 4.37Å; F142-K205 HydrophobicContact CZ-CB 4.09Å; F142-W212 WeakPolarHBondContact O-CZ2 3.38Å
143E96.7Very high93.6Very high76 Ų7645.2 Ų45.236%0.35522%0.219SC..SBendtrans-71.1158.5174.6-65175.3-178.600111.2D139 N141 C145D139-E143 PolarHBondContact N-O 2.95Å; N141-E143 PolarHBondContact ND2-OE2 3.34Å; N141-E143 PolarHBondContact O-N 3.21Å; N141-E143 WeakPolarHBondContact OD1-CB 3.38Å; N141-E143 PolarHBondContact OD1-N 3.11Å; N141-E143 VanDerWaalsContact OD1-N 3.07Å; E143-C145 PolarHBondContact O-N 3.2Å
144P97.8Very high93.5Very high24 Ų2445.3 Ų45.316%0.15622%0.219CC..BIsolated β-bridgetrans-62.5131.3173.1-1932.4000111.5Y136 W212 L217Y136-P144 HydrophobicContact CD2-CB 3.99Å; Y136-P144 HydrophobicContact CD2-CG 4.08Å; Y136-P144 HydrophobicContact CE2-CG 4.32Å; P144-W212 HydrophobicContact CG-CB 4.28Å; P144-W212 HydrophobicContact CG-CD2 3.83Å; P144-W212 HydrophobicContact CG-CE3 3.64Å; P144-W212 HydrophobicContact CG-CG 4.1Å; P144-W212 HydrophobicContact CG-CZ3 4.22Å; P144-L217 HydrophobicContact CB-CD1 4.23Å; P144-L217 HydrophobicContact CG-CB 4.08Å; P144-L217 HydrophobicContact CG-CD1 3.75Å
145C97Very high93.5Very high16 Ų1645.3 Ų45.311%0.10822%0.219CC..  trans-132178.117670.50000112.1D137 D139 E143 K147 S220D137-C145 PolarHBondContact O-N 2.81Å; D137-C145 PolarHBondContact O-SG 2.96Å; D139-C145 HydrophobicContact CB-CB 3.82Å; E143-C145 PolarHBondContact O-N 3.2Å; C145-K147 HydrophobicContact CB-CG 4.45Å; C145-S220 PolarHBondContact N-OG 2.9Å; C145-S220 WeakPolarHBondContact O-CB 3.26Å; C145-S220 PolarHBondContact O-OG 2.78Å
146L96.7Very high93.6Very high108 Ų10845.2 Ų45.257%0.56522%0.219SC*.  trans-119.152.7-178.5-56.1178.1000111.6N219 N223L146-N219 HydrophobicContact CD2-CB 3.97Å; L146-N223 WeakPolarHBondContact CA-ND2 3.44Å; L146-N223 HydrophobicContact CD2-CB 3.76Å; L146-N223 PolarHBondContact O-ND2 2.68Å
147K94.6Very high93.7Very high95 Ų9545.2 Ų45.241%0.41322%0.219SC..SBendtrans-101.518.4-175.7-66.9-178.5-178.31730114.5D137 D139 C145 R150 N223D137-K147 WeakPolarHBondContact OD2-CA 3.28Å; D137-K147 WeakPolarHBondContact OD2-CB 3.18Å; D137-K147 PolarHBondContact OD2-N 2.86Å; D139-K147 IonicContact OD1-NZ 2.66Å; D139-K147 PolarHBondContact OD1-NZ 3.03Å; D139-K147 WeakPolarHBondContact OD2-CE 3.45Å; D139-K147 IonicContact OD2-NZ 2.69Å; D139-K147 PolarHBondContact OD2-NZ 3.26Å; C145-K147 HydrophobicContact CB-CG 4.45Å; K147-R150 WeakPolarHBondContact O-CG 3.1Å; K147-N223 PolarHBondContact N-ND2 3.4Å
148G91.8Very high93.9Very high18 Ų1845.2 Ų45.219%0.18622%0.219CC..  trans90.79.8170.200000114.3D137 N223 F225 D226D137-G148 PolarHBondContact OD2-N 2.97Å; G148-N223 CarbonylContact C-O 3.51Å; G148-N223 WeakPolarHBondContact CA-ND2 3.49Å; G148-N223 WeakPolarHBondContact CA-O 3.4Å; G148-N223 PolarHBondContact N-ND2 3.05Å; G148-F225 PolarHBondContact O-N 3.35Å; G148-D226 PolarHBondContact O-N 3.35Å
149G89.1Confident94Very high0 Ų045.1 Ų45.10%022%0.218CC..SBendtrans84.511.2-175.300000113.6D137 N151 A152 N223 D226D137-G149 VanDerWaalsContact CG-CA 3.49Å; D137-G149 VanDerWaalsContact CG-N 3.28Å; D137-G149 PolarHBondContact OD2-N 2.99Å; G149-N151 PolarHBondContact O-N 2.95Å; G149-N151 VanDerWaalsContact O-N 3.11Å; G149-A152 WeakPolarHBondContact O-CB 3.39Å; G149-A152 PolarHBondContact O-N 3.43Å; G149-N223 PolarHBondContact N-O 3.11Å; G149-N223 VanDerWaalsContact N-O 3.16Å; G149-D226 CarbonylContact C-O 3.48Å; G149-D226 VanDerWaalsContact O-O 3.1Å
150R86.3Confident94.1Very high157 Ų15743.4 Ų43.459%0.59221%0.209SC*.THydrogen-bonded Turntrans-58.7-29.9-178.2-71.1179.8-175.5160.23.7112.6K147 D226K147-R150 WeakPolarHBondContact O-CG 3.1Å; R150-D226 WeakPolarHBondContact CA-O 3.47Å; R150-D226 PolarHBondContact N-O 2.96Å
151N88Confident94.2Very high70 Ų7034.5 Ų34.537%0.37417%0.17SC..THydrogen-bonded Turntrans-117.842175.3-66.8-46000110.8D137 S138 G149 H153D137-N151 PolarHBondContact OD1-N 2.85Å; S138-N151 WeakPolarHBondContact CB-O 3.18Å; S138-N151 PolarHBondContact N-O 3.01Å; S138-N151 VanDerWaalsContact N-O 3.11Å; S138-N151 WeakPolarHBondContact O-CB 3.38Å; G149-N151 PolarHBondContact O-N 2.95Å; G149-N151 VanDerWaalsContact O-N 3.11Å; N151-H153 PolarHBondContact O-N 3.45Å
152A89.8Confident94.3Very high12 Ų1231 Ų3110%0.09915%0.152CC..EExtended strand (participates in β ladder)trans-46132.7174.300000111L90 Y136 G149 L224 L227 L247L90-A152 WeakPolarHBondContact CD2-O 3.43Å; Y136-A152 CarbonylContact O-C 3.59Å; Y136-A152 WeakPolarHBondContact O-CA 3.47Å; G149-A152 WeakPolarHBondContact O-CB 3.39Å; G149-A152 PolarHBondContact O-N 3.43Å; A152-L224 HydrophobicContact CB-CD2 3.96Å; A152-L227 HydrophobicContact CB-CD2 4.27Å; A152-L247 HydrophobicContact CB-CD1 4.21Å; A152-L247 HydrophobicContact CB-CD2 3.82Å
153H91.3Very high94.2Very high4 Ų428 Ų282%0.01914%0.138CC..EExtended strand (participates in β ladder)trans-150.4159.9-172.1-153.966.2000110.7Q46 C51 P135 Y136 N151 H203 K205Q46-H153 PolarHBondContact OE1-CE1 2.98Å; C51-H153 WeakPolarHBondContact CB-CE1 3.45Å; C51-H153 WeakPolarHBondContact CB-NE2 3.07Å; C51-H153 VanDerWaalsContact SG-CE1 3.59Å; P135-H153 CarbonylContact C-O 3.6Å; P135-H153 WeakPolarHBondContact CA-O 3.44Å; Y136-H153 HydrophobicContact CD1-CB 4.27Å; Y136-H153 WeakPolarHBondContact CD1-O 3.35Å; Y136-H153 HydrophobicContact CE1-CB 3.85Å; Y136-H153 AromaticContact CE1-CD2 3.98Å; Y136-H153 PolarHBondContact N-O 2.77Å; Y136-H153 PolarHBondContact O-N 3.33Å; N151-H153 PolarHBondContact O-N 3.45Å; H153-H203 AromaticContact NE2-ND1 3.95Å; H153-K205 VanDerWaalsContact CE1-CE 3.46Å; H153-K205 WeakPolarHBondContact CE1-CE 3.28Å; H153-K205 VanDerWaalsContact ND1-CE 3.32Å; H153-K205 WeakPolarHBondContact ND1-CE 3.44Å
154W93.9Very high93.9Very high2 Ų226.2 Ų26.21%0.00813%0.131CC..EExtended strand (participates in β ladder)trans-102.4132.5170.7-74.688.9000110.2C51 A55 I89 A94 M97 L133 P135 H203 L250 V255C51-W154 PolarHBondContact SG-N 2.9Å; A55-W154 HydrophobicContact CB-CB 3.89Å; I89-W154 PolarHBondContact O-NE1 3.44Å; I89-W154 VanDerWaalsContact O-NE1 3.1Å; A94-W154 HydrophobicContact CB-CH2 4.35Å; M97-W154 HydrophobicContact CB-CH2 4.15Å; M97-W154 HydrophobicContact CB-CZ2 4.27Å; M97-W154 HydrophobicContact CE-CD2 3.87Å; M97-W154 HydrophobicContact CE-CE3 4.16Å; M97-W154 HydrophobicContact CE-CG 4.31Å; M97-W154 HydrophobicContact CE-CH2 4.37Å; M97-W154 HydrophobicContact CE-CZ2 4.07Å; M97-W154 HydrophobicContact CE-CZ3 4.4Å; M97-W154 HydrophobicContact CG-CH2 4.1Å; M97-W154 HydrophobicContact CG-CZ2 4.46Å; M97-W154 HydrophobicContact CG-CZ3 4.33Å; L133-W154 HydrophobicContact CB-CE3 3.99Å; L133-W154 HydrophobicContact CB-CZ3 3.83Å; P135-W154 HydrophobicContact CB-CD2 4.1Å; P135-W154 HydrophobicContact CB-CE3 4.24Å; P135-W154 HydrophobicContact CB-CH2 4.4Å; P135-W154 HydrophobicContact CB-CZ2 4.27Å; P135-W154 HydrophobicContact CB-CZ3 4.39Å; P135-W154 HydrophobicContact CG-CE3 4.42Å; P135-W154 HydrophobicContact CG-CH2 4.01Å; P135-W154 HydrophobicContact CG-CZ2 4.27Å; P135-W154 HydrophobicContact CG-CZ3 4.1Å; W154-H203 WeakPolarHBondContact O-CB 3.01Å; W154-L250 HydrophobicContact CH2-CD2 4.3Å; W154-L250 HydrophobicContact CZ2-CD2 3.61Å; W154-V255 HydrophobicContact CH2-CG2 4.03Å; W154-V255 HydrophobicContact CZ3-CG2 4.25Å
155C96.1Very high93.4Very high0 Ų027.8 Ų27.80%014%0.138CC..EExtended strand (participates in β ladder)trans-112.9166.6161.669.40000110.8L133 I134 Y136 A201 M202 H203 W212L133-C155 WeakPolarHBondContact CA-O 3.18Å; I134-C155 PolarHBondContact N-O 2.9Å; I134-C155 PolarHBondContact O-N 2.85Å; I134-C155 PolarHBondContact O-SG 2.94Å; Y136-C155 HydrophobicContact CD1-CB 3.88Å; Y136-C155 HydrophobicContact CE1-CB 3.58Å; C155-A201 HydrophobicContact CB-CB 4.47Å; C155-M202 CarbonylContact C-O 3.56Å; C155-M202 WeakPolarHBondContact CA-O 3.25Å; C155-M202 WeakPolarHBondContact CB-O 3.5Å; C155-H203 HydrophobicContact CB-CB 4.32Å; C155-W212 HydrophobicContact CB-CH2 4.1Å; C155-W212 HydrophobicContact CB-CZ3 3.83Å
156V96.9Very high92.7Very high0 Ų031.1 Ų31.10%015%0.151CC..EExtended strand (participates in β ladder)trans-128.5130.7171.955.40000108.9I58 A59 P131 V132 L133 V158 A201 M202I58-V156 HydrophobicContact CB-CG1 3.87Å; I58-V156 HydrophobicContact CD1-CG1 4.4Å; I58-V156 HydrophobicContact CG2-CG1 3.45Å; I58-V156 VanDerWaalsContact CG2-CG1 3.45Å; A59-V156 HydrophobicContact CB-CG2 3.92Å; P131-V156 HydrophobicContact CB-CG2 3.65Å; V132-V156 CarbonylContact O-C 2.97Å; V132-V156 WeakPolarHBondContact O-CA 3.42Å; L133-V156 HydrophobicContact CD2-CB 4.06Å; L133-V156 HydrophobicContact CD2-CG2 4.36Å; V156-V158 HydrophobicContact CG1-CG1 4.08Å; V156-V158 HydrophobicContact CG2-CG1 4.06Å; V156-A201 VanDerWaalsContact O-CA 3.27Å; V156-A201 WeakPolarHBondContact O-CA 3.09Å; V156-M202 HydrophobicContact CG1-CB 4.21Å; V156-M202 PolarHBondContact N-O 2.88Å; V156-M202 PolarHBondContact O-N 3.31Å
157L97.7Very high91.5Very high0 Ų031.4 Ų31.40%016%0.159CC..EExtended strand (participates in β ladder)trans-79.3127.3172.6-55.4-167.9000109.2I122 L126 P131 V132 I134 I199 A201 L214 L217I122-L157 HydrophobicContact CG2-CD1 3.85Å; L126-L157 HydrophobicContact CD1-CB 3.99Å; L126-L157 WeakPolarHBondContact CD1-O 3.5Å; L126-L157 HydrophobicContact CD2-CB 4.47Å; P131-L157 WeakPolarHBondContact CA-O 3.36Å; P131-L157 WeakPolarHBondContact CB-O 3.3Å; V132-L157 HydrophobicContact CB-CB 4.35Å; V132-L157 HydrophobicContact CB-CD1 4.2Å; V132-L157 HydrophobicContact CB-CG 4.28Å; V132-L157 PolarHBondContact O-N 2.95Å; I134-L157 HydrophobicContact CD1-CD1 3.81Å; I134-L157 HydrophobicContact CD1-CD2 4.44Å; I134-L157 HydrophobicContact CD1-CG 4.07Å; L157-I199 HydrophobicContact CD1-CG2 4.24Å; L157-I199 HydrophobicContact CD2-CB 4.05Å; L157-I199 HydrophobicContact CD2-CD1 3.65Å; L157-I199 HydrophobicContact CD2-CG1 3.82Å; L157-A201 HydrophobicContact CD2-CB 3.95Å; L157-L214 HydrophobicContact CD1-CD1 4.47Å; L157-L217 HydrophobicContact CD2-CD2 3.75Å
158V96.6Very high90.3Very high0 Ų029.4 Ų29.40%015%0.153CC..EExtended strand (participates in β ladder)trans-129.3-4.3-173-63.10000113.9M37 F38 V41 I58 V156 I200 M202M37-V158 WeakPolarHBondContact CA-O 3.41Å; M37-V158 HydrophobicContact CG-CB 4.3Å; M37-V158 HydrophobicContact CG-CG2 3.99Å; M37-V158 WeakPolarHBondContact CG-O 3.36Å; M37-V158 HydrophobicContact SD-CG2 4.01Å; F38-V158 HydrophobicContact CD2-CB 4.26Å; F38-V158 WeakPolarHBondContact CD2-O 3.33Å; F38-V158 PolarHBondContact N-O 2.76Å; V41-V158 HydrophobicContact CG2-CB 4.28Å; I58-V158 HydrophobicContact CG2-CG1 4.2Å; V156-V158 HydrophobicContact CG1-CG1 4.08Å; V156-V158 HydrophobicContact CG2-CG1 4.06Å; V158-I200 HydrophobicContact CG2-CB 4.41Å; V158-I200 HydrophobicContact CG2-CG2 3.98Å; V158-I200 WeakPolarHBondContact CG2-O 3.25Å; V158-I200 PolarHBondContact N-O 2.8Å; V158-M202 HydrophobicContact CB-CE 4.32Å; V158-M202 HydrophobicContact CG1-CE 3.74Å; V158-M202 HydrophobicContact CG2-CE 4Å; V158-M202 HydrophobicContact CG2-CG 4.25Å
159G96.4Very high89.1Confident0 Ų036.9 Ų36.90%019%0.189CC..EExtended strand (participates in β ladder)trans-176.6-177.4-17700000113.3Y36 I200Y36-G159 CarbonylContact O-C 3.42Å; Y36-G159 WeakPolarHBondContact O-CA 3.16Å; G159-I200 PolarHBondContact N-O 2.88Å; G159-I200 PolarHBondContact O-N 2.99Å
160L97Very high88Confident1 Ų146.1 Ų46.11%0.00522%0.223CC..EExtended strand (participates in β ladder)trans-132.4147.9-178.4-60.6174.3000110.3Y36 V123 L126 L127 I182 V197 F198 I199Y36-L160 PolarHBondContact N-O 2.93Å; Y36-L160 PolarHBondContact O-N 3.41Å; Y36-L160 VanDerWaalsContact O-O 3.11Å; V123-L160 HydrophobicContact CG1-CD1 3.78Å; V123-L160 HydrophobicContact CG2-CD2 4.11Å; L126-L160 HydrophobicContact CD2-CD2 3.73Å; L126-L160 HydrophobicContact CD2-CG 3.97Å; L127-L160 HydrophobicContact CD1-CD1 3.7Å; L127-L160 HydrophobicContact CD2-CD1 3.74Å; L127-L160 HydrophobicContact CG-CD1 3.86Å; L160-I182 HydrophobicContact CD1-CD1 4.28Å; L160-V197 HydrophobicContact CD2-CG1 4.17Å; L160-F198 WeakPolarHBondContact CA-O 3.38Å; L160-I199 HydrophobicContact CD2-CG2 4.24Å
161F96.5Very high87.1Confident0 Ų047.8 Ų47.80%024%0.235CC..EExtended strand (participates in β ladder)trans-122.9110.8165.8172.8-131.2000108.6A20 I23 L24 L34 L35 V163 L174 V197 F198 I211A20-F161 HydrophobicContact CB-CD1 4.39Å; A20-F161 HydrophobicContact CB-CD2 4.15Å; A20-F161 HydrophobicContact CB-CE1 4.03Å; A20-F161 HydrophobicContact CB-CE2 3.79Å; A20-F161 HydrophobicContact CB-CG 4.43Å; A20-F161 HydrophobicContact CB-CZ 3.71Å; I23-F161 HydrophobicContact CB-CE1 4.01Å; I23-F161 HydrophobicContact CD1-CD1 4.24Å; I23-F161 HydrophobicContact CD1-CE1 4.17Å; I23-F161 HydrophobicContact CG2-CE1 3.9Å; L24-F161 HydrophobicContact CD1-CZ 4.42Å; L24-F161 HydrophobicContact CD2-CZ 3.88Å; L24-F161 HydrophobicContact CG-CZ 3.89Å; L34-F161 WeakPolarHBondContact O-CA 3.27Å; L35-F161 HydrophobicContact CD2-CB 3.71Å; L35-F161 HydrophobicContact CD2-CD2 3.45Å; L35-F161 VanDerWaalsContact CD2-CD2 3.45Å; L35-F161 HydrophobicContact CD2-CE2 4.32Å; L35-F161 HydrophobicContact CD2-CG 3.82Å; L35-F161 HydrophobicContact CG-CD2 3.89Å; L35-F161 HydrophobicContact CG-CE2 4.43Å; F161-V163 HydrophobicContact CD1-CG2 3.93Å; F161-V163 HydrophobicContact CD2-CG2 4.48Å; F161-V163 HydrophobicContact CE1-CG2 3.33Å; F161-V163 HydrophobicContact CE2-CG2 3.94Å; F161-V163 HydrophobicContact CG-CG2 4.49Å; F161-V163 HydrophobicContact CZ-CG2 3.33Å; F161-L174 HydrophobicContact CD2-CD1 4.38Å; F161-L174 HydrophobicContact CE2-CD1 3.6Å; F161-L174 HydrophobicContact CZ-CD1 4.31Å; F161-V197 WeakPolarHBondContact O-CA 3.16Å; F161-F198 HydrophobicContact CB-CB 4.15Å; F161-F198 HydrophobicContact CD1-CB 4.19Å; F161-F198 AromaticContact CD1-CD2 3.68Å; F161-F198 HydrophobicContact CD1-CD2 3.68Å; F161-F198 HydrophobicContact CD1-CE2 4.41Å; F161-F198 HydrophobicContact CD1-CG 4.15Å; F161-F198 HydrophobicContact CE1-CD2 4.18Å; F161-F198 HydrophobicContact CE1-CE2 4.49Å; F161-F198 PolarHBondContact N-O 3.01Å; F161-F198 PolarHBondContact O-N 3.46Å; F161-I211 HydrophobicContact CB-CD1 4.43Å; F161-I211 HydrophobicContact CB-CG2 4.04Å; F161-I211 HydrophobicContact CD1-CD1 4.34Å; F161-I211 HydrophobicContact CD1-CG2 3.8Å; F161-I211 HydrophobicContact CG-CD1 4.43Å; F161-I211 HydrophobicContact CG-CG2 4.34Å
162I94.9Very high86.4Confident4 Ų446.1 Ų46.12%0.02123%0.231CC..EExtended strand (participates in β ladder)trans-100128.4-178.5-59.5166.2000107.7G33 L34 I182 A185 A189 M195 Q196 V197G33-I162 CarbonylContact C-O 3.57Å; G33-I162 WeakPolarHBondContact CA-O 3.5Å; L34-I162 HydrophobicContact CB-CB 4.31Å; L34-I162 PolarHBondContact N-O 2.88Å; L34-I162 PolarHBondContact O-N 3.49Å; I162-I182 HydrophobicContact CD1-CD1 3.75Å; I162-A185 HydrophobicContact CD1-CB 3.98Å; I162-A189 HydrophobicContact CB-CB 4.48Å; I162-A189 HydrophobicContact CD1-CB 3.92Å; I162-A189 HydrophobicContact CG1-CB 4.06Å; I162-A189 HydrophobicContact CG2-CB 3.61Å; I162-M195 HydrophobicContact CG2-SD 4.16Å; I162-Q196 CarbonylContact C-O 3.57Å; I162-Q196 WeakPolarHBondContact CA-O 3.47Å; I162-V197 HydrophobicContact CB-CG2 4.47Å; I162-V197 HydrophobicContact CG1-CG1 4.07Å; I162-V197 HydrophobicContact CG1-CG2 4.02Å; I162-V197 HydrophobicContact CG2-CG2 4.27Å
163V93.1Very high86.1Confident0 Ų049.9 Ų49.90%025%0.249CC..EExtended strand (participates in β ladder)trans-115.5124.3179.1-179.30000108.9L24 A31 N32 F161 L165 M195 Q196 F198L24-V163 HydrophobicContact CD2-CB 4.48Å; L24-V163 HydrophobicContact CD2-CG1 3.74Å; L24-V163 HydrophobicContact CD2-CG2 4.04Å; A31-V163 HydrophobicContact CB-CG1 3.99Å; N32-V163 CarbonylContact O-C 3.4Å; N32-V163 WeakPolarHBondContact O-CA 3.33Å; F161-V163 HydrophobicContact CD1-CG2 3.93Å; F161-V163 HydrophobicContact CD2-CG2 4.48Å; F161-V163 HydrophobicContact CE1-CG2 3.33Å; F161-V163 HydrophobicContact CE2-CG2 3.94Å; F161-V163 HydrophobicContact CG-CG2 4.49Å; F161-V163 HydrophobicContact CZ-CG2 3.33Å; V163-L165 HydrophobicContact CG1-CD2 3.76Å; V163-L165 HydrophobicContact CG1-CG 4.42Å; V163-M195 CarbonylContact O-C 3.6Å; V163-M195 WeakPolarHBondContact O-CA 3.32Å; V163-Q196 HydrophobicContact CB-CB 4.4Å; V163-Q196 PolarHBondContact N-O 2.86Å; V163-Q196 PolarHBondContact O-N 2.73Å; V163-F198 HydrophobicContact CB-CE2 4.47Å; V163-F198 HydrophobicContact CG2-CD2 4.05Å; V163-F198 HydrophobicContact CG2-CE2 3.78Å
164D91.1Very high86.2Confident39 Ų3951.3 Ų51.321%0.20926%0.257CS..EExtended strand (participates in β ladder)trans-88.6109.5167.7-171.7-6000108.5A31 N32 K166 M195A31-D164 WeakPolarHBondContact CA-O 3.37Å; A31-D164 WeakPolarHBondContact CB-O 3.38Å; N32-D164 HydrophobicContact CB-CB 4.37Å; N32-D164 PolarHBondContact N-O 3.45Å; N32-D164 PolarHBondContact O-N 3.45Å; D164-K166 WeakPolarHBondContact OD1-CB 3.32Å; D164-K166 WeakPolarHBondContact OD1-CG 3.3Å; D164-K166 PolarHBondContact OD1-N 3.01Å; D164-M195 HydrophobicContact CB-CE 3.87Å; D164-M195 HydrophobicContact CB-SD 3.69Å
165L86.7Confident86.2Confident58 Ų5855.1 Ų55.130%0.30428%0.275SS..  trans-81.3-5-179.5-58.9173.7000112.4A27 V163 Q194 Q196A27-L165 HydrophobicContact CB-CD2 4.14Å; V163-L165 HydrophobicContact CG1-CD2 3.76Å; V163-L165 HydrophobicContact CG1-CG 4.42Å; L165-Q194 VanDerWaalsContact CB-O 3.26Å; L165-Q194 WeakPolarHBondContact CB-O 2.79Å; L165-Q194 PolarHBondContact N-O 2.99Å; L165-Q196 HydrophobicContact CD1-CB 4.15Å; L165-Q196 HydrophobicContact CG-CB 4.44Å
166K83.2Confident86.1Confident85 Ų8558.8 Ų58.837%0.3729%0.289SS..SBendtrans-60.2131.8177.9-67.9173.8-171.3171.20109.4D164 N168 D192 Q194D164-K166 WeakPolarHBondContact OD1-CB 3.32Å; D164-K166 WeakPolarHBondContact OD1-CG 3.3Å; D164-K166 PolarHBondContact OD1-N 3.01Å; K166-N168 PolarHBondContact O-N 3.05Å; K166-N168 VanDerWaalsContact O-N 3.1Å; K166-D192 VanDerWaalsContact CE-OD2 3.28Å; K166-D192 WeakPolarHBondContact CE-OD2 3.47Å; K166-D192 IonicContact NZ-OD2 2.65Å; K166-D192 PolarHBondContact NZ-OD2 3.15Å; K166-Q194 HydrophobicContact CD-CB 4.38Å; K166-Q194 HydrophobicContact CG-CB 3.7Å; K166-Q194 HydrophobicContact CG-CG 4.11Å
167P71Confident86Confident115 Ų11559.4 Ų59.475%0.74729%0.292SS*.  trans-55.4121.5174.5-21.330.5000109.7
168N70Confident85.7Confident53 Ų5366.2 Ų66.228%0.28332%0.322SS..  trans-113.2132.4173.4-157.3-33000109.1S30 N32 K166 R170S30-N168 WeakPolarHBondContact CB-O 3.33Å; S30-N168 PolarHBondContact OG-O 3.47Å; N32-N168 PolarHBondContact ND2-ND2 3.23Å; K166-N168 PolarHBondContact O-N 3.05Å; K166-N168 VanDerWaalsContact O-N 3.1Å; N168-R170 PolarHBondContact O-N 3.43Å; N168-R170 PolarHBondContact OD1-N 3.43Å; N168-R170 VanDerWaalsContact OD1-N 3.14Å
169D65.8Low85.3Confident174 Ų17468.6 Ų68.693%0.9334%0.335SS*.SBendtrans-70.1-9.5175.4-66.8-32000112.1
170R65.4Low85Confident194 Ų19472.2 Ų72.273%0.73236%0.364SS*.SBendtrans-92.9149.6175-61.6-176.7-179.9-176.30.5110.7N168 A172N168-R170 PolarHBondContact O-N 3.43Å; N168-R170 PolarHBondContact OD1-N 3.43Å; N168-R170 VanDerWaalsContact OD1-N 3.14Å; R170-A172 PolarHBondContact O-N 3.36Å
171K68.3Low84.8Confident192 Ų19276 Ų7684%0.83538%0.382SS*.  trans-52.4135.2172.6-166.9176.5-176.6-1790109.5N173K171-N173 PolarHBondContact O-N 3.08Å
172A72Confident84.6Confident35 Ų3576.2 Ų76.229%0.28938%0.383SS..  trans-40.9124.8174.400000111.1A31 R170A31-A172 WeakPolarHBondContact O-CA 3.21Å; A31-A172 WeakPolarHBondContact O-CB 3.26Å; R170-A172 PolarHBondContact O-N 3.36Å
173N85Confident84.3Confident91 Ų9180 Ų8049%0.48740%0.402SS..  trans-113128.2178.1-173.527.8000110N32 G33 K171N32-N173 CarbonylContact C-O 3.57Å; N32-N173 WeakPolarHBondContact CA-O 3.26Å; N32-N173 WeakPolarHBondContact OD1-CB 2.89Å; N32-N173 PolarHBondContact OD1-N 3.14Å; G33-N173 PolarHBondContact N-O 2.9Å; K171-N173 PolarHBondContact O-N 3.08Å
174L92.5Very high84.1Confident35 Ų3585.8 Ų85.818%0.18343%0.433CS..EExtended strand (participates in β ladder)trans-106.7123.1172.8-176.669.2000108.9S17 A20 L24 G33 L35 F161S17-L174 WeakPolarHBondContact O-CD2 3.36Å; A20-L174 HydrophobicContact CB-CD1 3.74Å; A20-L174 HydrophobicContact CB-CD2 3.83Å; A20-L174 HydrophobicContact CB-CG 4.46Å; L24-L174 HydrophobicContact CD1-CB 4.23Å; L24-L174 HydrophobicContact CD1-CD1 4.11Å; G33-L174 CarbonylContact O-C 3.59Å; G33-L174 WeakPolarHBondContact O-CA 3.44Å; L35-L174 HydrophobicContact CD1-CD1 3.74Å; L35-L174 HydrophobicContact CD1-CD2 3.83Å; L35-L174 HydrophobicContact CD1-CG 3.91Å; L35-L174 HydrophobicContact CG-CD1 3.88Å; F161-L174 HydrophobicContact CD2-CD1 4.38Å; F161-L174 HydrophobicContact CE2-CD1 3.6Å; F161-L174 HydrophobicContact CZ-CD1 4.31Å
175Q94Very high84.1Confident82 Ų8284.6 Ų84.638%0.38343%0.429SS..EExtended strand (participates in β ladder)trans-128.5131.1-176.8178.2177.14.500111.6G33 L34 L35 I177G33-Q175 PolarHBondContact O-N 3.17Å; L34-Q175 CarbonylContact C-O 3.05Å; L34-Q175 WeakPolarHBondContact CA-O 3.35Å; L34-Q175 HydrophobicContact CD2-CB 4.07Å; L35-Q175 PolarHBondContact N-O 3.1Å; Q175-I177 HydrophobicContact CG-CG2 4.19Å
176W95Very high84.3Confident76 Ų7684.1 Ų84.129%0.28842%0.423SS..EExtended strand (participates in β ladder)trans-76130.8164.1-74.889.2000110.6I8 A13 V16 S17 L35 M37I8-W176 HydrophobicContact CD1-CE3 3.78Å; I8-W176 HydrophobicContact CD1-CH2 4.1Å; I8-W176 HydrophobicContact CD1-CZ3 3.37Å; A13-W176 HydrophobicContact CB-CZ2 4.08Å; V16-W176 HydrophobicContact CB-CH2 3.91Å; V16-W176 HydrophobicContact CB-CZ2 3.84Å; V16-W176 HydrophobicContact CG1-CH2 3.67Å; V16-W176 HydrophobicContact CG1-CZ2 3.77Å; V16-W176 HydrophobicContact CG2-CH2 4.4Å; S17-W176 PolarHBondContact OG-NE1 2.93Å; L35-W176 HydrophobicContact CB-CD2 3.78Å; L35-W176 HydrophobicContact CB-CE3 3.77Å; L35-W176 HydrophobicContact CB-CG 4.28Å; L35-W176 HydrophobicContact CB-CH2 4.39Å; L35-W176 HydrophobicContact CB-CZ2 4.36Å; L35-W176 HydrophobicContact CB-CZ3 4.08Å; L35-W176 HydrophobicContact CD1-CD2 4.28Å; L35-W176 HydrophobicContact CD1-CH2 4.49Å; L35-W176 HydrophobicContact CD1-CZ2 3.84Å; L35-W176 WeakPolarHBondContact O-CA 3.33Å; M37-W176 HydrophobicContact CB-CZ3 3.9Å
177I94.4Very high84.7Confident13 Ų1386.5 Ų86.57%0.06743%0.434CS..  trans-118.1149.2179.956.9164.8000111L34 L35 Q175 Q181 I182 A185L34-I177 HydrophobicContact CB-CD1 4Å; L34-I177 HydrophobicContact CB-CG1 4.36Å; L34-I177 HydrophobicContact CB-CG2 4.4Å; L34-I177 HydrophobicContact CD1-CD1 4.44Å; L34-I177 HydrophobicContact CD2-CG2 3.96Å; L35-I177 VanDerWaalsContact O-CG1 3.23Å; L35-I177 WeakPolarHBondContact O-CG1 3.46Å; L35-I177 PolarHBondContact O-N 3.3Å; Q175-I177 HydrophobicContact CG-CG2 4.19Å; I177-Q181 HydrophobicContact CB-CB 3.89Å; I177-Q181 HydrophobicContact CG2-CB 4.28Å; I177-I182 HydrophobicContact CD1-CB 4.04Å; I177-I182 HydrophobicContact CD1-CD1 3.79Å; I177-I182 HydrophobicContact CD1-CG1 4.5Å; I177-A185 HydrophobicContact CD1-CB 3.83Å
178K91.6Very high85.5Confident143 Ų14382.9 Ų82.962%0.62241%0.413SS*.  trans-96.8172.5-179.3-60-174.5178.7-172.40111.9A180 Q181 I182K178-A180 PolarHBondContact O-N 2.92Å; K178-A180 VanDerWaalsContact O-N 3.1Å; K178-Q181 WeakPolarHBondContact O-CB 3.13Å; K178-Q181 PolarHBondContact O-N 3.46Å; K178-I182 PolarHBondContact O-N 3.3Å
179D88.6Confident86.5Confident51 Ų5180.8 Ų80.827%0.27340%0.404SS..Hα-helixtrans-47.9-41.1-179.9-59.3-30.5000113.8R5 Y36 Q181 I182R5-D179 IonicContact NH1-OD2 3.33Å; R5-D179 PolarHBondContact NH1-OD2 3.44Å; Y36-D179 VanDerWaalsContact CE2-OD1 3.28Å; Y36-D179 WeakPolarHBondContact CE2-OD1 3.37Å; Y36-D179 PolarHBondContact OH-OD1 3.07Å; D179-Q181 VanDerWaalsContact C-N 3.33Å; D179-Q181 PolarHBondContact O-N 2.95Å; D179-I182 WeakPolarHBondContact O-CG2 3.18Å
180A89.7Confident87.7Confident75 Ų7573.8 Ų73.862%0.6237%0.366SS*.Hα-helixtrans-68.8-32.1179.400000113K178K178-A180 PolarHBondContact O-N 2.92Å; K178-A180 VanDerWaalsContact O-N 3.1Å
181Q92.4Very high88.9Confident82 Ų8268.7 Ų68.738%0.38335%0.353SS..Hα-helixtrans-83.8-34-176.7-66.1169.6-70.300111.7I177 K178 D179 I183 N184 A185I177-Q181 HydrophobicContact CB-CB 3.89Å; I177-Q181 HydrophobicContact CG2-CB 4.28Å; K178-Q181 WeakPolarHBondContact O-CB 3.13Å; K178-Q181 PolarHBondContact O-N 3.46Å; D179-Q181 VanDerWaalsContact C-N 3.33Å; D179-Q181 PolarHBondContact O-N 2.95Å; Q181-I183 PolarHBondContact O-N 3.39Å; Q181-N184 PolarHBondContact O-N 3.18Å; Q181-N184 VanDerWaalsContact O-N 3.17Å; Q181-A185 PolarHBondContact O-N 2.91Å
182I93.2Very high89.9Confident4 Ų461.7 Ų61.72%0.02133%0.325CS..Hα-helixtrans-63.8-26.7178.6-173.259.8000112.3Y36 L127 L160 I162 I177 K178 D179 N184 A185 R186Y36-I182 HydrophobicContact CD1-CD1 4.41Å; Y36-I182 HydrophobicContact CD1-CG1 3.93Å; Y36-I182 HydrophobicContact CD2-CB 3.72Å; Y36-I182 HydrophobicContact CD2-CG1 4.03Å; Y36-I182 HydrophobicContact CD2-CG2 3.75Å; Y36-I182 HydrophobicContact CE1-CG1 4.42Å; Y36-I182 HydrophobicContact CE1-CG2 4.46Å; Y36-I182 HydrophobicContact CE2-CB 4.11Å; Y36-I182 HydrophobicContact CE2-CG2 3.59Å; Y36-I182 HydrophobicContact CG-CB 3.94Å; Y36-I182 HydrophobicContact CG-CD1 4.05Å; Y36-I182 HydrophobicContact CG-CG1 3.71Å; Y36-I182 HydrophobicContact CG-CG2 4.26Å; L127-I182 HydrophobicContact CD1-CD1 4.36Å; L127-I182 HydrophobicContact CD1-CG1 3.89Å; L127-I182 HydrophobicContact CD2-CD1 4.43Å; L127-I182 HydrophobicContact CD2-CG1 3.61Å; L127-I182 HydrophobicContact CG-CG1 4.41Å; L160-I182 HydrophobicContact CD1-CD1 4.28Å; I162-I182 HydrophobicContact CD1-CD1 3.75Å; I177-I182 HydrophobicContact CD1-CB 4.04Å; I177-I182 HydrophobicContact CD1-CD1 3.79Å; I177-I182 HydrophobicContact CD1-CG1 4.5Å; K178-I182 PolarHBondContact O-N 3.3Å; D179-I182 WeakPolarHBondContact O-CG2 3.18Å; I182-N184 VanDerWaalsContact C-N 3.29Å; I182-N184 PolarHBondContact O-N 3.21Å; I182-A185 HydrophobicContact CD1-CB 4.34Å; I182-A185 PolarHBondContact O-N 3.21Å; I182-R186 VanDerWaalsContact O-CB 3.28Å; I182-R186 WeakPolarHBondContact O-CB 3.46Å; I182-R186 WeakPolarHBondContact O-CG 3.34Å; I182-R186 PolarHBondContact O-N 2.73Å
183I88.2Confident90.6Very high82 Ų8267.6 Ų67.642%0.42135%0.352SS..Hα-helixtrans-58.4-41.3174.7-65.4168.3000111.6Q181 R186Q181-I183 PolarHBondContact O-N 3.39Å; I183-R186 WeakPolarHBondContact O-CG 3.49Å
184N88.7Confident90.8Very high122 Ų12267.6 Ų67.665%0.65235%0.349SS*.Hα-helixtrans-82.7-41.7178.1-68.2-23.1000111.2Q181 I182 R186 F187 A188Q181-N184 PolarHBondContact O-N 3.18Å; Q181-N184 VanDerWaalsContact O-N 3.17Å; I182-N184 VanDerWaalsContact C-N 3.29Å; I182-N184 PolarHBondContact O-N 3.21Å; N184-R186 VanDerWaalsContact C-N 3.35Å; N184-R186 PolarHBondContact O-N 3.27Å; N184-F187 PolarHBondContact O-N 2.89Å; N184-F187 VanDerWaalsContact O-N 3.16Å; N184-A188 PolarHBondContact O-N 3.3Å
185A90.7Very high90.7Very high15 Ų1567.7 Ų67.712%0.12435%0.349CS..Hα-helixtrans-61.6-41.4-179.200000112L34 I162 I177 Q181 I182 F187 A188 A189L34-A185 HydrophobicContact CD1-CB 3.76Å; I162-A185 HydrophobicContact CD1-CB 3.98Å; I177-A185 HydrophobicContact CD1-CB 3.83Å; Q181-A185 PolarHBondContact O-N 2.91Å; I182-A185 HydrophobicContact CD1-CB 4.34Å; I182-A185 PolarHBondContact O-N 3.21Å; A185-F187 VanDerWaalsContact C-N 3.28Å; A185-F187 PolarHBondContact O-N 3.19Å; A185-A188 PolarHBondContact O-N 2.97Å; A185-A189 VanDerWaalsContact O-CB 3.27Å; A185-A189 WeakPolarHBondContact O-CB 3.32Å; A185-A189 PolarHBondContact O-N 3.38Å
186R91.6Very high90.5Very high47 Ų4767 Ų6718%0.17735%0.346CS..Hα-helixtrans-62.1-36.1176.579.3-168179.5-163.16.3112.1L127 N128 I182 I183 N184 A189 L190L127-R186 HydrophobicContact CD1-CB 3.53Å; L127-R186 HydrophobicContact CD1-CG 4.04Å; N128-R186 PolarHBondContact OD1-NH1 3.11Å; I182-R186 VanDerWaalsContact O-CB 3.28Å; I182-R186 WeakPolarHBondContact O-CB 3.46Å; I182-R186 WeakPolarHBondContact O-CG 3.34Å; I182-R186 PolarHBondContact O-N 2.73Å; I183-R186 WeakPolarHBondContact O-CG 3.49Å; N184-R186 VanDerWaalsContact C-N 3.35Å; N184-R186 PolarHBondContact O-N 3.27Å; R186-A189 PolarHBondContact O-N 3.12Å; R186-L190 HydrophobicContact CB-CD1 4.47Å; R186-L190 VanDerWaalsContact O-CB 3.3Å; R186-L190 WeakPolarHBondContact O-CB 3.44Å; R186-L190 WeakPolarHBondContact O-CG 3.32Å; R186-L190 PolarHBondContact O-N 2.8Å
187F90.1Very high90.5Very high136 Ų13663.9 Ų63.960%0.59634%0.335SS*.Hα-helixtrans-66.4-43.7-179.4-175.3-89.2000110.6N184 A185 N191N184-F187 PolarHBondContact O-N 2.89Å; N184-F187 VanDerWaalsContact O-N 3.16Å; A185-F187 VanDerWaalsContact C-N 3.28Å; A185-F187 PolarHBondContact O-N 3.19Å; F187-N191 PolarHBondContact O-N 2.53Å; F187-N191 PolarHBondContact O-ND2 2.9Å
188A88.8Confident90.6Very high38 Ų3864.2 Ų64.231%0.31434%0.336SS..Hα-helixtrans-62.5-47.3172.400000110.7N184 A185 L190 N191 D192 M195N184-A188 PolarHBondContact O-N 3.3Å; A185-A188 PolarHBondContact O-N 2.97Å; A188-L190 VanDerWaalsContact C-N 3.27Å; A188-L190 PolarHBondContact O-N 3.09Å; A188-N191 PolarHBondContact O-N 3.28Å; A188-D192 VanDerWaalsContact O-CB 3.24Å; A188-D192 WeakPolarHBondContact O-CB 3.44Å; A188-D192 PolarHBondContact O-N 3.14Å; A188-D192 VanDerWaalsContact O-N 3.09Å; A188-M195 HydrophobicContact CB-CE 4.31Å
189A90.1Very high90.8Very high10 Ų1057.4 Ų57.48%0.08331%0.306CS..Hα-helixtrans-64.5-27.2-174.400000114.8I162 A185 R186 M195 V197I162-A189 HydrophobicContact CB-CB 4.48Å; I162-A189 HydrophobicContact CD1-CB 3.92Å; I162-A189 HydrophobicContact CG1-CB 4.06Å; I162-A189 HydrophobicContact CG2-CB 3.61Å; A185-A189 VanDerWaalsContact O-CB 3.27Å; A185-A189 WeakPolarHBondContact O-CB 3.32Å; A185-A189 PolarHBondContact O-N 3.38Å; R186-A189 PolarHBondContact O-N 3.12Å; A189-M195 HydrophobicContact CB-CB 4.36Å; A189-V197 HydrophobicContact CB-CG2 3.51Å
190L91.2Very high91.3Very high26 Ų2655 Ų5514%0.13629%0.293CS..THydrogen-bonded Turntrans-96.1-4-178.6-66.9171.3000114.1Y119 R120 V123 E124 R186 A188Y119-L190 HydrophobicContact CD1-CD2 4.06Å; Y119-L190 HydrophobicContact CE1-CD2 4.04Å; R120-L190 HydrophobicContact CB-CD2 4.18Å; R120-L190 HydrophobicContact CG-CD1 4.09Å; R120-L190 HydrophobicContact CG-CD2 4.15Å; R120-L190 PolarHBondContact NH1-O 3.4Å; V123-L190 HydrophobicContact CB-CD2 4.17Å; V123-L190 HydrophobicContact CG1-CD1 4.01Å; V123-L190 HydrophobicContact CG1-CD2 4.12Å; V123-L190 HydrophobicContact CG1-CG 4.37Å; V123-L190 HydrophobicContact CG2-CD2 4.45Å; E124-L190 HydrophobicContact CG-CD1 4.21Å; R186-L190 HydrophobicContact CB-CD1 4.47Å; R186-L190 VanDerWaalsContact O-CB 3.3Å; R186-L190 WeakPolarHBondContact O-CB 3.44Å; R186-L190 WeakPolarHBondContact O-CG 3.32Å; R186-L190 PolarHBondContact O-N 2.8Å; A188-L190 VanDerWaalsContact C-N 3.27Å; A188-L190 PolarHBondContact O-N 3.09Å
191N91.2Very high91.7Very high87 Ų8751.4 Ų51.447%0.46526%0.264SS..THydrogen-bonded Turntrans-130.63.9-177.1-58.3-64.8000113.5R120 F187 A188R120-N191 PolarHBondContact NH1-OD1 3.16Å; F187-N191 PolarHBondContact O-N 2.53Å; F187-N191 PolarHBondContact O-ND2 2.9Å; A188-N191 PolarHBondContact O-N 3.28Å
192D89.4Confident91.9Very high46 Ų4647.7 Ų47.725%0.24625%0.246CC..  trans-125.1115.5-179.1-170.9-22.5000109.8K166 A188 Q194 M195K166-D192 VanDerWaalsContact CE-OD2 3.28Å; K166-D192 WeakPolarHBondContact CE-OD2 3.47Å; K166-D192 IonicContact NZ-OD2 2.65Å; K166-D192 PolarHBondContact NZ-OD2 3.15Å; A188-D192 VanDerWaalsContact O-CB 3.24Å; A188-D192 WeakPolarHBondContact O-CB 3.44Å; A188-D192 PolarHBondContact O-N 3.14Å; A188-D192 VanDerWaalsContact O-N 3.09Å; D192-Q194 PolarHBondContact O-N 3.19Å; D192-Q194 VanDerWaalsContact O-N 3.13Å; D192-Q194 WeakPolarHBondContact OD1-CB 3.39Å; D192-Q194 PolarHBondContact OD1-N 3.49Å; D192-M195 HydrophobicContact CB-CB 4.46Å; D192-M195 HydrophobicContact CB-CG 3.86Å; D192-M195 WeakPolarHBondContact O-CB 3.45Å; D192-M195 PolarHBondContact O-N 3.43Å
193D87.3Confident92Very high158 Ų15847.6 Ų47.685%0.84525%0.246SC*.THydrogen-bonded Turntrans-66.6-12.1-178.6-64.8-28.3000113.3M195D193-M195 VanDerWaalsContact C-N 3.26Å
194Q88.2Confident92.2Very high92 Ų9243.7 Ų43.743%0.4323%0.226SC..THydrogen-bonded Turntrans-85.81171-57.9-61.2-69.600112.6L165 K166 D192L165-Q194 VanDerWaalsContact CB-O 3.26Å; L165-Q194 WeakPolarHBondContact CB-O 2.79Å; L165-Q194 PolarHBondContact N-O 2.99Å; K166-Q194 HydrophobicContact CD-CB 4.38Å; K166-Q194 HydrophobicContact CG-CB 3.7Å; K166-Q194 HydrophobicContact CG-CG 4.11Å; D192-Q194 PolarHBondContact O-N 3.19Å; D192-Q194 VanDerWaalsContact O-N 3.13Å; D192-Q194 WeakPolarHBondContact OD1-CB 3.39Å; D192-Q194 PolarHBondContact OD1-N 3.49Å
195M89.9Confident92.4Very high37 Ų3741.4 Ų41.418%0.18221%0.21CC..EExtended strand (participates in β ladder)trans-101132172.9-64.8-75.4-176.700109.9I162 V163 D164 A188 A189 D192 D193I162-M195 HydrophobicContact CG2-SD 4.16Å; V163-M195 CarbonylContact O-C 3.6Å; V163-M195 WeakPolarHBondContact O-CA 3.32Å; D164-M195 HydrophobicContact CB-CE 3.87Å; D164-M195 HydrophobicContact CB-SD 3.69Å; A188-M195 HydrophobicContact CB-CE 4.31Å; A189-M195 HydrophobicContact CB-CB 4.36Å; D192-M195 HydrophobicContact CB-CB 4.46Å; D192-M195 HydrophobicContact CB-CG 3.86Å; D192-M195 WeakPolarHBondContact O-CB 3.45Å; D192-M195 PolarHBondContact O-N 3.43Å; D193-M195 VanDerWaalsContact C-N 3.26Å
196Q91.6Very high92.6Very high67 Ų6741.5 Ų41.531%0.31321%0.21SC..EExtended strand (participates in β ladder)trans-111.9140170.3-171.3173.620.100109.5I162 V163 L165 F198I162-Q196 CarbonylContact C-O 3.57Å; I162-Q196 WeakPolarHBondContact CA-O 3.47Å; V163-Q196 HydrophobicContact CB-CB 4.4Å; V163-Q196 PolarHBondContact N-O 2.86Å; V163-Q196 PolarHBondContact O-N 2.73Å; L165-Q196 HydrophobicContact CD1-CB 4.15Å; L165-Q196 HydrophobicContact CG-CB 4.44Å; Q196-F198 HydrophobicContact CB-CE2 4.29Å; Q196-F198 HydrophobicContact CG-CD2 4.38Å; Q196-F198 HydrophobicContact CG-CE2 3.69Å; Q196-F198 HydrophobicContact CG-CZ 3.91Å
197V93.9Very high92.7Very high10 Ų1045.5 Ų45.56%0.06123%0.225CC..EExtended strand (participates in β ladder)trans-127124.1-178-1750000110.2Y119 L160 F161 I162 A189Y119-V197 HydrophobicContact CE1-CB 3.95Å; Y119-V197 HydrophobicContact CE1-CG1 4.32Å; Y119-V197 WeakPolarHBondContact OH-CB 3.33Å; Y119-V197 WeakPolarHBondContact OH-CG1 3.28Å; Y119-V197 PolarHBondContact OH-O 3.37Å; L160-V197 HydrophobicContact CD2-CG1 4.17Å; F161-V197 WeakPolarHBondContact O-CA 3.16Å; I162-V197 HydrophobicContact CB-CG2 4.47Å; I162-V197 HydrophobicContact CG1-CG1 4.07Å; I162-V197 HydrophobicContact CG1-CG2 4.02Å; I162-V197 HydrophobicContact CG2-CG2 4.27Å; A189-V197 HydrophobicContact CB-CG2 3.51Å
198F96.2Very high92.9Very high20 Ų2044.1 Ų44.19%0.08822%0.216CC..EExtended strand (participates in β ladder)trans-105.5156.9174.7-58.2-95.3000109.6I23 L160 F161 V163 Q196 I211 D213I23-F198 HydrophobicContact CG2-CE1 4.4Å; I23-F198 HydrophobicContact CG2-CE2 3.9Å; I23-F198 HydrophobicContact CG2-CZ 3.77Å; L160-F198 WeakPolarHBondContact CA-O 3.38Å; F161-F198 HydrophobicContact CB-CB 4.15Å; F161-F198 HydrophobicContact CD1-CB 4.19Å; F161-F198 AromaticContact CD1-CD2 3.68Å; F161-F198 HydrophobicContact CD1-CD2 3.68Å; F161-F198 HydrophobicContact CD1-CE2 4.41Å; F161-F198 HydrophobicContact CD1-CG 4.15Å; F161-F198 HydrophobicContact CE1-CD2 4.18Å; F161-F198 HydrophobicContact CE1-CE2 4.49Å; F161-F198 PolarHBondContact N-O 3.01Å; F161-F198 PolarHBondContact O-N 3.46Å; V163-F198 HydrophobicContact CB-CE2 4.47Å; V163-F198 HydrophobicContact CG2-CD2 4.05Å; V163-F198 HydrophobicContact CG2-CE2 3.78Å; Q196-F198 HydrophobicContact CB-CE2 4.29Å; Q196-F198 HydrophobicContact CG-CD2 4.38Å; Q196-F198 HydrophobicContact CG-CE2 3.69Å; Q196-F198 HydrophobicContact CG-CZ 3.91Å; F198-I211 HydrophobicContact CB-CG2 3.57Å; F198-I211 HydrophobicContact CG-CG2 4.15Å; F198-D213 HydrophobicContact CD1-CB 4.46Å
199I97.2Very high93.2Very high0 Ų042.3 Ų42.30%020%0.201CC..EExtended strand (participates in β ladder)trans-97.6144.5173.658.569.8000110.4L157 L160 A201 I211 W212 L214 L217L157-I199 HydrophobicContact CD1-CG2 4.24Å; L157-I199 HydrophobicContact CD2-CB 4.05Å; L157-I199 HydrophobicContact CD2-CD1 3.65Å; L157-I199 HydrophobicContact CD2-CG1 3.82Å; L160-I199 HydrophobicContact CD2-CG2 4.24Å; I199-A201 HydrophobicContact CD1-CB 3.7Å; I199-I211 CarbonylContact O-C 3.6Å; I199-I211 WeakPolarHBondContact O-CA 3.44Å; I199-W212 HydrophobicContact CD1-CB 3.76Å; I199-W212 HydrophobicContact CD1-CD2 4.23Å; I199-W212 HydrophobicContact CD1-CE3 3.85Å; I199-W212 HydrophobicContact CD1-CG 4.26Å; I199-W212 PolarHBondContact N-O 3.08Å; I199-W212 PolarHBondContact O-N 2.99Å; I199-L214 HydrophobicContact CG1-CD1 4.33Å; I199-L214 HydrophobicContact CG2-CB 4.27Å; I199-L214 HydrophobicContact CG2-CD1 4.08Å; I199-L214 HydrophobicContact CG2-CD2 4.39Å; I199-L214 HydrophobicContact CG2-CG 4.48Å; I199-L217 HydrophobicContact CD1-CD2 4.15Å; I199-L217 HydrophobicContact CG1-CD2 4.31Å
200I97.8Very high93.6Very high0 Ų042 Ų420%020%0.199CC..EExtended strand (participates in β ladder)trans-96122.2166.6-54176.3000106.6V16 L35 Y36 M37 V158 G159 P209 G210 I211V16-I200 HydrophobicContact CG1-CD1 3.78Å; V16-I200 HydrophobicContact CG2-CG2 4.17Å; L35-I200 HydrophobicContact CD2-CD1 3.96Å; Y36-I200 WeakPolarHBondContact O-CD1 3.13Å; M37-I200 HydrophobicContact CB-CD1 4.44Å; M37-I200 HydrophobicContact SD-CG2 4.11Å; V158-I200 HydrophobicContact CG2-CB 4.41Å; V158-I200 HydrophobicContact CG2-CG2 3.98Å; V158-I200 WeakPolarHBondContact CG2-O 3.25Å; V158-I200 PolarHBondContact N-O 2.8Å; G159-I200 PolarHBondContact N-O 2.88Å; G159-I200 PolarHBondContact O-N 2.99Å; I200-P209 HydrophobicContact CG2-CB 3.91Å; I200-G210 WeakPolarHBondContact CA-O 3.48Å; I200-I211 HydrophobicContact CG1-CG1 4.38Å
201A97.9Very high93.9Very high0 Ų041.3 Ų41.30%020%0.195CC..EExtended strand (participates in β ladder)trans-128.1152.6-177.200000112.3C155 V156 L157 I199 P209 G210 W212C155-A201 HydrophobicContact CB-CB 4.47Å; V156-A201 VanDerWaalsContact O-CA 3.27Å; V156-A201 WeakPolarHBondContact O-CA 3.09Å; L157-A201 HydrophobicContact CD2-CB 3.95Å; I199-A201 HydrophobicContact CD1-CB 3.7Å; A201-P209 WeakPolarHBondContact O-CA 3.44Å; A201-G210 PolarHBondContact N-O 3.47Å; A201-G210 PolarHBondContact O-N 3.31Å; A201-W212 HydrophobicContact CB-CD2 4.19Å; A201-W212 HydrophobicContact CB-CE3 3.55Å; A201-W212 HydrophobicContact CB-CH2 3.87Å; A201-W212 HydrophobicContact CB-CZ2 4.47Å; A201-W212 HydrophobicContact CB-CZ3 3.37Å
202M96.8Very high94.2Very high4 Ų437.6 Ų37.62%0.0218%0.175CC..EExtended strand (participates in β ladder)trans-130.6164.5171.2-67.5-165.7-70.400111.5V41 P43 I58 C155 V156 V158 P209V41-M202 HydrophobicContact CB-CE 4.38Å; V41-M202 HydrophobicContact CG1-CE 2.98Å; V41-M202 HydrophobicContact CG1-SD 3.85Å; P43-M202 HydrophobicContact CB-SD 3.97Å; P43-M202 HydrophobicContact CG-SD 3.84Å; I58-M202 HydrophobicContact CD1-CB 4.33Å; I58-M202 HydrophobicContact CG2-CE 3.28Å; C155-M202 CarbonylContact C-O 3.56Å; C155-M202 WeakPolarHBondContact CA-O 3.25Å; C155-M202 WeakPolarHBondContact CB-O 3.5Å; V156-M202 HydrophobicContact CG1-CB 4.21Å; V156-M202 PolarHBondContact N-O 2.88Å; V156-M202 PolarHBondContact O-N 3.31Å; V158-M202 HydrophobicContact CB-CE 4.32Å; V158-M202 HydrophobicContact CG1-CE 3.74Å; V158-M202 HydrophobicContact CG2-CE 4Å; V158-M202 HydrophobicContact CG2-CG 4.25Å; M202-P209 HydrophobicContact CG-CB 3.86Å; M202-P209 HydrophobicContact CG-CG 3.96Å; M202-P209 HydrophobicContact SD-CG 4.04Å
203H94.8Very high94.5Very high3 Ų337.9 Ų37.91%0.01418%0.177CC..EExtended strand (participates in β ladder)trans-159.5163.5-177.359.388.7000110.2F142 H153 W154 C155 K205F142-H203 WeakPolarHBondContact CB-CE1 3.27Å; F142-H203 VanDerWaalsContact CB-NE2 3.33Å; F142-H203 WeakPolarHBondContact CB-NE2 3.35Å; F142-H203 AromaticContact CD1-CE1 3.96Å; F142-H203 AromaticContact CD2-CE1 3.65Å; F142-H203 AromaticContact CD2-NE2 3.98Å; F142-H203 AromaticContact CG-CE1 3.38Å; F142-H203 WeakPolarHBondContact CG-CE1 3.5Å; F142-H203 AromaticContact CG-NE2 3.79Å; H153-H203 AromaticContact NE2-ND1 3.95Å; W154-H203 WeakPolarHBondContact O-CB 3.01Å; C155-H203 HydrophobicContact CB-CB 4.32Å; H203-K205 VanDerWaalsContact C-N 3.26Å; H203-K205 PolarHBondContact ND1-N 3.31Å; H203-K205 PolarHBondContact O-N 3.28Å; H203-K205 VanDerWaalsContact O-N 3.12Å
204G93.7Very high94.8Very high0 Ų030.4 Ų30.40%014%0.136CC..THydrogen-bonded Turntrans-70.5-4.4-174.100000117.5I45 Q46I45-G204 CarbonylContact C-O 3.56Å; I45-G204 WeakPolarHBondContact CA-O 3.46Å; Q46-G204 VanDerWaalsContact CG-O 3.28Å; Q46-G204 WeakPolarHBondContact CG-O 3.32Å; Q46-G204 PolarHBondContact N-O 2.91Å; Q46-G204 PolarHBondContact OE1-O 3.08Å
205K93.2Very high95.1Very high74 Ų7430.9 Ų30.932%0.32214%0.138SC..THydrogen-bonded Turntrans-88-11.9-178.3-67.3170178.8167.50113.5S138 F142 H153 H203S138-K205 PolarHBondContact OG-NZ 2.94Å; F142-K205 HydrophobicContact CD1-CB 4Å; F142-K205 HydrophobicContact CD1-CD 3.83Å; F142-K205 HydrophobicContact CE1-CB 3.71Å; F142-K205 HydrophobicContact CE1-CD 3.83Å; F142-K205 HydrophobicContact CE1-CG 4.37Å; F142-K205 HydrophobicContact CZ-CB 4.09Å; H153-K205 VanDerWaalsContact CE1-CE 3.46Å; H153-K205 WeakPolarHBondContact CE1-CE 3.28Å; H153-K205 VanDerWaalsContact ND1-CE 3.32Å; H153-K205 WeakPolarHBondContact ND1-CE 3.44Å; H203-K205 VanDerWaalsContact C-N 3.26Å; H203-K205 PolarHBondContact ND1-N 3.31Å; H203-K205 PolarHBondContact O-N 3.28Å; H203-K205 VanDerWaalsContact O-N 3.12Å
206S94.2Very high95.4Very high16 Ų1631 Ų3111%0.11215%0.146CC..  trans-152151.7-172.71790000110.2Y208S206-Y208 WeakPolarHBondContact OG-CB 3.46Å; S206-Y208 PolarHBondContact OG-N 3.32Å
207R93Very high95.7Very high132 Ų13227.9 Ų27.950%0.49813%0.131SC..SBendtrans-87.7-9.3167.7-65-174.6-67.1171.50.1113P43 I45 P209P43-R207 HydrophobicContact CB-CB 4.03Å; P43-R207 HydrophobicContact CB-CG 4.43Å; P43-R207 VanDerWaalsContact CB-O 3.31Å; P43-R207 WeakPolarHBondContact CB-O 3.31Å; I45-R207 HydrophobicContact CD1-CG 3.85Å; I45-R207 HydrophobicContact CG1-CG 3.51Å; R207-P209 WeakPolarHBondContact O-CD 3.45Å
208Y94.7Very high95.8Very high106 Ų10629 Ų2942%0.41614%0.135SC..SBendtrans-92.2116.9-175.3-59.9-59.9000109.8L11 T15 S206L11-Y208 HydrophobicContact CD1-CE1 4.25Å; L11-Y208 HydrophobicContact CD2-CE1 4.16Å; L11-Y208 HydrophobicContact CG-CE1 4.22Å; T15-Y208 HydrophobicContact CG2-CD1 3.93Å; T15-Y208 HydrophobicContact CG2-CG 4.24Å; T15-Y208 WeakPolarHBondContact OG1-CD1 3.24Å; S206-Y208 WeakPolarHBondContact OG-CB 3.46Å; S206-Y208 PolarHBondContact OG-N 3.32Å
209P96Very high95.8Very high0 Ų032.1 Ų32.10%015%0.153CC..PPolyproline II helixtrans-62148.6176.4-17.928.6000112.1T12 V16 R19 I200 A201 M202 R207T12-P209 HydrophobicContact CG2-CG 3.74Å; V16-P209 HydrophobicContact CG2-CB 3.81Å; V16-P209 HydrophobicContact CG2-CG 3.8Å; R19-P209 VanDerWaalsContact CD-O 3.3Å; R19-P209 WeakPolarHBondContact CD-O 3.07Å; R19-P209 PolarHBondContact NE-O 2.93Å; I200-P209 HydrophobicContact CG2-CB 3.91Å; A201-P209 WeakPolarHBondContact O-CA 3.44Å; M202-P209 HydrophobicContact CG-CB 3.86Å; M202-P209 HydrophobicContact CG-CG 3.96Å; M202-P209 HydrophobicContact SD-CG 4.04Å; R207-P209 WeakPolarHBondContact O-CD 3.45Å
210G96.9Very high95.8Very high3 Ų332.1 Ų32.13%0.03115%0.153CC..EExtended strand (participates in β ladder)trans-95.7154168.100000111.3I200 A201I200-G210 WeakPolarHBondContact CA-O 3.48Å; A201-G210 PolarHBondContact N-O 3.47Å; A201-G210 PolarHBondContact O-N 3.31Å
211I97.9Very high95.7Very high12 Ų1232.1 Ų32.16%0.06215%0.153CC..EExtended strand (participates in β ladder)trans-115.5115.4165.5-58.5-175.7000106.4V16 R19 A20 I23 L35 F161 F198 I199 I200V16-I211 HydrophobicContact CG1-CD1 3.98Å; V16-I211 WeakPolarHBondContact O-CD1 3.3Å; R19-I211 HydrophobicContact CB-CD1 3.9Å; R19-I211 HydrophobicContact CB-CG1 4.12Å; A20-I211 HydrophobicContact CB-CD1 3.8Å; I23-I211 HydrophobicContact CD1-CB 3.91Å; I23-I211 HydrophobicContact CD1-CG2 3.48Å; I23-I211 VanDerWaalsContact CD1-CG2 3.48Å; L35-I211 HydrophobicContact CD2-CD1 4.33Å; F161-I211 HydrophobicContact CB-CD1 4.43Å; F161-I211 HydrophobicContact CB-CG2 4.04Å; F161-I211 HydrophobicContact CD1-CD1 4.34Å; F161-I211 HydrophobicContact CD1-CG2 3.8Å; F161-I211 HydrophobicContact CG-CD1 4.43Å; F161-I211 HydrophobicContact CG-CG2 4.34Å; F198-I211 HydrophobicContact CB-CG2 3.57Å; F198-I211 HydrophobicContact CG-CG2 4.15Å; I199-I211 CarbonylContact O-C 3.6Å; I199-I211 WeakPolarHBondContact O-CA 3.44Å; I200-I211 HydrophobicContact CG1-CG1 4.38Å
212W97.2Very high95.6Very high10 Ų1035.3 Ų35.34%0.03817%0.17CC..EExtended strand (participates in β ladder)trans-127.5152.3-173-47.2-39000112Y136 F142 P144 C155 I199 A201 L217Y136-W212 HydrophobicContact CE1-CH2 4.39Å; Y136-W212 HydrophobicContact CE2-CH2 4.11Å; Y136-W212 HydrophobicContact CE2-CZ3 4.28Å; Y136-W212 AromaticContact CZ-CH2 3.77Å; F142-W212 WeakPolarHBondContact O-CZ2 3.38Å; P144-W212 HydrophobicContact CG-CB 4.28Å; P144-W212 HydrophobicContact CG-CD2 3.83Å; P144-W212 HydrophobicContact CG-CE3 3.64Å; P144-W212 HydrophobicContact CG-CG 4.1Å; P144-W212 HydrophobicContact CG-CZ3 4.22Å; C155-W212 HydrophobicContact CB-CH2 4.1Å; C155-W212 HydrophobicContact CB-CZ3 3.83Å; I199-W212 HydrophobicContact CD1-CB 3.76Å; I199-W212 HydrophobicContact CD1-CD2 4.23Å; I199-W212 HydrophobicContact CD1-CE3 3.85Å; I199-W212 HydrophobicContact CD1-CG 4.26Å; I199-W212 PolarHBondContact N-O 3.08Å; I199-W212 PolarHBondContact O-N 2.99Å; A201-W212 HydrophobicContact CB-CD2 4.19Å; A201-W212 HydrophobicContact CB-CE3 3.55Å; A201-W212 HydrophobicContact CB-CH2 3.87Å; A201-W212 HydrophobicContact CB-CZ2 4.47Å; A201-W212 HydrophobicContact CB-CZ3 3.37Å; W212-L217 HydrophobicContact CE3-CD1 4.23Å; W212-L217 HydrophobicContact CE3-CD2 4.41Å; W212-L217 HydrophobicContact CZ3-CD1 4.28Å
213D95.3Very high95.4Very high52 Ų5236.6 Ų36.628%0.27818%0.177SC..EExtended strand (participates in β ladder)trans-68131.1166.5178.9-85.1000109.9F198 H215 A216 L217F198-D213 HydrophobicContact CD1-CB 4.46Å; D213-H215 VanDerWaalsContact C-N 3.34Å; D213-H215 PolarHBondContact O-N 2.85Å; D213-H215 VanDerWaalsContact OD1-CA 3.26Å; D213-H215 WeakPolarHBondContact OD1-CA 3.37Å; D213-H215 WeakPolarHBondContact OD1-CB 3.33Å; D213-H215 PolarHBondContact OD1-N 3.44Å; D213-A216 HydrophobicContact CB-CB 4.01Å; D213-A216 PolarHBondContact O-N 2.98Å; D213-A216 PolarHBondContact OD1-N 3.49Å; D213-L217 PolarHBondContact O-N 2.74Å; D213-L217 VanDerWaalsContact O-N 3.08Å
214L94.3Very high95.3Very high0 Ų036.4 Ų36.40%018%0.176CC..Hα-helixtrans-68.4-34.1-176.8-175.355.5000111.8Y119 I122 L157 I199 L217 K218Y119-L214 HydrophobicContact CD2-CB 4.06Å; Y119-L214 HydrophobicContact CD2-CD2 3.64Å; Y119-L214 HydrophobicContact CD2-CG 4.29Å; Y119-L214 HydrophobicContact CE2-CB 3.65Å; Y119-L214 HydrophobicContact CE2-CD2 3.63Å; Y119-L214 HydrophobicContact CE2-CG 4.23Å; Y119-L214 HydrophobicContact CG-CD2 4.28Å; I122-L214 HydrophobicContact CB-CD2 4.01Å; I122-L214 HydrophobicContact CD1-CD1 4.18Å; I122-L214 HydrophobicContact CD1-CD2 3.98Å; I122-L214 HydrophobicContact CD1-CG 4.38Å; I122-L214 HydrophobicContact CG2-CD1 4.31Å; I122-L214 HydrophobicContact CG2-CD2 3.95Å; L157-L214 HydrophobicContact CD1-CD1 4.47Å; I199-L214 HydrophobicContact CG1-CD1 4.33Å; I199-L214 HydrophobicContact CG2-CB 4.27Å; I199-L214 HydrophobicContact CG2-CD1 4.08Å; I199-L214 HydrophobicContact CG2-CD2 4.39Å; I199-L214 HydrophobicContact CG2-CG 4.48Å; L214-L217 HydrophobicContact CD1-CD2 4.4Å; L214-L217 PolarHBondContact O-N 3.21Å; L214-K218 VanDerWaalsContact O-CG 3.32Å; L214-K218 WeakPolarHBondContact O-CG 3.31Å; L214-K218 PolarHBondContact O-N 3.4Å
215H94.3Very high95.1Very high102 Ų10242 Ų4247%0.47220%0.201SC..Hα-helixtrans-67-40.8175.9-63.3-50.9000111.3D213 L217 K218 N219D213-H215 VanDerWaalsContact C-N 3.34Å; D213-H215 PolarHBondContact O-N 2.85Å; D213-H215 VanDerWaalsContact OD1-CA 3.26Å; D213-H215 WeakPolarHBondContact OD1-CA 3.37Å; D213-H215 WeakPolarHBondContact OD1-CB 3.33Å; D213-H215 PolarHBondContact OD1-N 3.44Å; H215-L217 VanDerWaalsContact C-N 3.31Å; H215-L217 PolarHBondContact O-N 3.2Å; H215-K218 PolarHBondContact O-N 3.2Å; H215-N219 WeakPolarHBondContact O-CB 3.34Å; H215-N219 PolarHBondContact O-N 2.8Å; H215-N219 PolarHBondContact O-ND2 3.24Å
216A96.4Very high94.4Very high41 Ų4142.9 Ų42.934%0.33921%0.209SC..Hα-helixtrans-58.4-43.7172.600000111.5D213 N219 S220D213-A216 HydrophobicContact CB-CB 4.01Å; D213-A216 PolarHBondContact O-N 2.98Å; D213-A216 PolarHBondContact OD1-N 3.49Å; A216-N219 PolarHBondContact O-N 3.17Å; A216-S220 WeakPolarHBondContact O-CB 3.36Å; A216-S220 PolarHBondContact O-N 3.23Å
217L97.1Very high93.3Very high1 Ų143.5 Ų43.51%0.00521%0.21CC..Hα-helixtrans-64.4-44.1175.6-178.461.7000112.4I134 Y136 P144 L157 I199 W212 D213 L214 H215 N219 S220 N221I134-L217 HydrophobicContact CB-CD2 4.48Å; I134-L217 HydrophobicContact CD1-CD2 3.87Å; I134-L217 HydrophobicContact CG2-CD1 4.23Å; I134-L217 HydrophobicContact CG2-CD2 4.36Å; I134-L217 HydrophobicContact CG2-CG 4.15Å; Y136-L217 HydrophobicContact CD2-CD1 4.16Å; Y136-L217 HydrophobicContact CG-CD1 3.87Å; P144-L217 HydrophobicContact CB-CD1 4.23Å; P144-L217 HydrophobicContact CG-CB 4.08Å; P144-L217 HydrophobicContact CG-CD1 3.75Å; L157-L217 HydrophobicContact CD2-CD2 3.75Å; I199-L217 HydrophobicContact CD1-CD2 4.15Å; I199-L217 HydrophobicContact CG1-CD2 4.31Å; W212-L217 HydrophobicContact CE3-CD1 4.23Å; W212-L217 HydrophobicContact CE3-CD2 4.41Å; W212-L217 HydrophobicContact CZ3-CD1 4.28Å; D213-L217 PolarHBondContact O-N 2.74Å; D213-L217 VanDerWaalsContact O-N 3.08Å; L214-L217 HydrophobicContact CD1-CD2 4.4Å; L214-L217 PolarHBondContact O-N 3.21Å; H215-L217 VanDerWaalsContact C-N 3.31Å; H215-L217 PolarHBondContact O-N 3.2Å; L217-N219 PolarHBondContact O-N 2.93Å; L217-S220 WeakPolarHBondContact O-CB 3.37Å; L217-S220 PolarHBondContact O-N 3Å; L217-N221 PolarHBondContact O-N 2.88Å
218K96.3Very high91.9Very high32 Ų3239.2 Ų39.214%0.13921%0.207CC..Hα-helixtrans-60.5-44.8175.9-73.1-173.262.2158.60111.8I114 L117 I122 L214 H215 S220 N221 N222I114-K218 HydrophobicContact CD1-CB 4.09Å; I114-K218 HydrophobicContact CD1-CG 3.67Å; I114-K218 HydrophobicContact CG1-CD 4.4Å; I114-K218 HydrophobicContact CG1-CG 4.01Å; I114-K218 VanDerWaalsContact O-CE 3.31Å; I114-K218 WeakPolarHBondContact O-CE 3.23Å; I114-K218 PolarHBondContact O-NZ 3.26Å; L117-K218 PolarHBondContact O-NZ 3.16Å; I122-K218 HydrophobicContact CD1-CD 4.28Å; L214-K218 VanDerWaalsContact O-CG 3.32Å; L214-K218 WeakPolarHBondContact O-CG 3.31Å; L214-K218 PolarHBondContact O-N 3.4Å; H215-K218 PolarHBondContact O-N 3.2Å; K218-S220 VanDerWaalsContact C-N 3.3Å; K218-S220 PolarHBondContact O-N 2.94Å; K218-N221 WeakPolarHBondContact O-CB 3.31Å; K218-N221 PolarHBondContact O-N 3.06Å; K218-N222 PolarHBondContact O-N 3.12Å; K218-N222 PolarHBondContact O-ND2 3.28Å
219N96.5Very high90.2Very high87 Ų8740.3 Ų40.347%0.46521%0.211SC..Hα-helixtrans-62.8-40.5177.3-68.9-19000110.7L146 H215 A216 L217 N222 N223L146-N219 HydrophobicContact CD2-CB 3.97Å; H215-N219 WeakPolarHBondContact O-CB 3.34Å; H215-N219 PolarHBondContact O-N 2.8Å; H215-N219 PolarHBondContact O-ND2 3.24Å; A216-N219 PolarHBondContact O-N 3.17Å; L217-N219 PolarHBondContact O-N 2.93Å; N219-N222 PolarHBondContact O-N 2.97Å; N219-N223 VanDerWaalsContact O-CB 3.25Å; N219-N223 WeakPolarHBondContact O-CB 3.18Å; N219-N223 PolarHBondContact O-N 3.02Å
220S96.8Very high87.5Confident0 Ų046.7 Ų46.70%025%0.25CC..Hα-helixtrans-64-40.8175.3-168.50000113D137 C145 A216 L217 K218 N223D137-S220 WeakPolarHBondContact CB-OG 3.34Å; D137-S220 PolarHBondContact N-OG 3.48Å; D137-S220 PolarHBondContact O-OG 3.21Å; C145-S220 PolarHBondContact N-OG 2.9Å; C145-S220 WeakPolarHBondContact O-CB 3.26Å; C145-S220 PolarHBondContact O-OG 2.78Å; A216-S220 WeakPolarHBondContact O-CB 3.36Å; A216-S220 PolarHBondContact O-N 3.23Å; L217-S220 WeakPolarHBondContact O-CB 3.37Å; L217-S220 PolarHBondContact O-N 3Å; K218-S220 VanDerWaalsContact C-N 3.3Å; K218-S220 PolarHBondContact O-N 2.94Å; S220-N223 PolarHBondContact O-N 2.81Å; S220-N223 VanDerWaalsContact O-N 3.12Å
221N95.8Very high84.9Confident0 Ų049.8 Ų49.80%028%0.281CS..Hα-helixtrans-62.1-41.6172.9174.5-99.7000112.4I114 I134 P135 L217 K218 N223 L224 G252 K253I114-N221 HydrophobicContact CD1-CB 3.93Å; I114-N221 WeakPolarHBondContact CG2-OD1 3.41Å; I134-N221 HydrophobicContact CG2-CB 4.09Å; P135-N221 WeakPolarHBondContact CD-ND2 2.87Å; P135-N221 WeakPolarHBondContact CG-ND2 3.29Å; P135-N221 WeakPolarHBondContact O-CA 3.43Å; P135-N221 VanDerWaalsContact O-CB 3.29Å; P135-N221 WeakPolarHBondContact O-CB 3.29Å; P135-N221 PolarHBondContact O-ND2 3.5Å; L217-N221 PolarHBondContact O-N 2.88Å; K218-N221 WeakPolarHBondContact O-CB 3.31Å; K218-N221 PolarHBondContact O-N 3.06Å; N221-N223 PolarHBondContact O-N 3.41Å; N221-L224 WeakPolarHBondContact O-CG 3.42Å; N221-G252 PolarHBondContact O-N 3.17Å; N221-G252 VanDerWaalsContact OD1-C 3.31Å; N221-G252 WeakPolarHBondContact OD1-CA 3.42Å; N221-G252 PolarHBondContact OD1-N 3.13Å; N221-G252 VanDerWaalsContact OD1-N 3.1Å; N221-K253 PolarHBondContact ND2-O 3.35Å; N221-K253 PolarHBondContact OD1-N 3.3Å
222N95.3Very high82.6Confident66 Ų6652.9 Ų52.935%0.35330%0.298SS..Hα-helixtrans-70.4-15.6174.7-79.2-35.6000113.3K218 N219 L224 R251 G252K218-N222 PolarHBondContact O-N 3.12Å; K218-N222 PolarHBondContact O-ND2 3.28Å; N219-N222 PolarHBondContact O-N 2.97Å; N222-L224 VanDerWaalsContact C-N 3.35Å; N222-R251 VanDerWaalsContact O-CD 3.31Å; N222-R251 WeakPolarHBondContact O-CD 3.24Å; N222-R251 WeakPolarHBondContact O-CG 3.44Å; N222-G252 VanDerWaalsContact OD1-CA 3.31Å; N222-G252 WeakPolarHBondContact OD1-CA 3.19Å
223N94.3Very high80.3Confident31 Ų3156.9 Ų56.917%0.16632%0.324CS..THydrogen-bonded Turntrans-94.114.7-178-167.569.5000113.9L146 K147 G148 G149 N219 S220 N221 F225L146-N223 WeakPolarHBondContact CA-ND2 3.44Å; L146-N223 HydrophobicContact CD2-CB 3.76Å; L146-N223 PolarHBondContact O-ND2 2.68Å; K147-N223 PolarHBondContact N-ND2 3.4Å; G148-N223 CarbonylContact C-O 3.51Å; G148-N223 WeakPolarHBondContact CA-ND2 3.49Å; G148-N223 WeakPolarHBondContact CA-O 3.4Å; G148-N223 PolarHBondContact N-ND2 3.05Å; G149-N223 PolarHBondContact N-O 3.11Å; G149-N223 VanDerWaalsContact N-O 3.16Å; N219-N223 VanDerWaalsContact O-CB 3.25Å; N219-N223 WeakPolarHBondContact O-CB 3.18Å; N219-N223 PolarHBondContact O-N 3.02Å; S220-N223 PolarHBondContact O-N 2.81Å; S220-N223 VanDerWaalsContact O-N 3.12Å; N221-N223 PolarHBondContact O-N 3.41Å; N223-F225 HydrophobicContact CB-CE2 4.36Å; N223-F225 VanDerWaalsContact O-CD2 3.28Å; N223-F225 WeakPolarHBondContact O-CD2 3.34Å; N223-F225 PolarHBondContact O-N 2.92Å; N223-F225 WeakPolarHBondContact OD1-CE2 3.42Å
224L91.8Very high78.2Confident0 Ų055.9 Ų55.90%032%0.322CS..  trans-81.591.3176.3-63.5-178.3000110.7P135 D137 A152 N221 N222 L247 L250 R251P135-L224 HydrophobicContact CB-CD1 3.82Å; P135-L224 HydrophobicContact CG-CD1 4.25Å; D137-L224 HydrophobicContact CB-CD2 4.08Å; A152-L224 HydrophobicContact CB-CD2 3.96Å; N221-L224 WeakPolarHBondContact O-CG 3.42Å; N222-L224 VanDerWaalsContact C-N 3.35Å; L224-L247 HydrophobicContact CB-CB 4.42Å; L224-L247 HydrophobicContact CB-CD1 4.13Å; L224-L250 HydrophobicContact CD1-CB 4.14Å; L224-R251 HydrophobicContact CB-CB 4.23Å; L224-R251 WeakPolarHBondContact O-CB 3.39Å; L224-R251 WeakPolarHBondContact O-CD 3.16Å
225F88.9Confident76.3Confident118 Ų11859.3 Ų59.352%0.51834%0.343SS..  trans-109.9-49.4-176.7-66-78.6000113.2G148 N223G148-F225 PolarHBondContact O-N 3.35Å; N223-F225 HydrophobicContact CB-CE2 4.36Å; N223-F225 VanDerWaalsContact O-CD2 3.28Å; N223-F225 WeakPolarHBondContact O-CD2 3.34Å; N223-F225 PolarHBondContact O-N 2.92Å; N223-F225 WeakPolarHBondContact OD1-CE2 3.42Å
226D80.2Confident74.2Confident92 Ų9264.3 Ų64.349%0.49236%0.364SS..  trans-132.8122-172.6-171.24000110.6G148 G149 R150 G228G148-D226 PolarHBondContact O-N 3.35Å; G149-D226 CarbonylContact C-O 3.48Å; G149-D226 VanDerWaalsContact O-O 3.1Å; R150-D226 WeakPolarHBondContact CA-O 3.47Å; R150-D226 PolarHBondContact N-O 2.96Å; D226-G228 PolarHBondContact O-N 3.42Å
227L71.1Confident72.2Confident28 Ų2869.5 Ų69.515%0.14739%0.386CS..  trans-72.2110.6166.2-86.3137.5000107A152 R229 W242 L247A152-L227 HydrophobicContact CB-CD2 4.27Å; L227-R229 PolarHBondContact O-N 2.91Å; L227-W242 HydrophobicContact CD1-CE3 3.91Å; L227-W242 HydrophobicContact CD1-CH2 3.58Å; L227-W242 HydrophobicContact CD1-CZ3 3.11Å; L227-W242 HydrophobicContact CD2-CH2 3.77Å; L227-W242 HydrophobicContact CD2-CZ3 4.07Å; L227-W242 HydrophobicContact CG-CH2 4.23Å; L227-W242 HydrophobicContact CG-CZ3 4.18Å; L227-L247 HydrophobicContact CB-CD1 4.5Å; L227-L247 HydrophobicContact CB-CG 4.46Å; L227-L247 HydrophobicContact CD1-CD1 4.3Å; L227-L247 HydrophobicContact CD1-CD2 3.51Å; L227-L247 HydrophobicContact CD1-CG 3.47Å; L227-L247 VanDerWaalsContact CD1-CG 3.47Å; L227-L247 HydrophobicContact CD2-CD2 4.27Å; L227-L247 HydrophobicContact CG-CD1 3.85Å; L227-L247 HydrophobicContact CG-CD2 3.64Å; L227-L247 HydrophobicContact CG-CG 3.56Å
228G63.3Low70.4Confident42 Ų4274 Ų7443%0.43341%0.407SS..SBendtrans-65.623.5175.100000114.2D226D226-G228 PolarHBondContact O-N 3.42Å
229R58Low69Low130 Ų13079.2 Ų79.249%0.49143%0.431SS..  trans-119.744.5-178.3-72.9170160.3-144.10.3110.2L227 G231 L232L227-R229 PolarHBondContact O-N 2.91Å; R229-G231 VanDerWaalsContact C-N 3.32Å; R229-G231 PolarHBondContact O-N 3.25Å; R229-L232 HydrophobicContact CB-CD1 3.8Å; R229-L232 HydrophobicContact CB-CG 4.29Å; R229-L232 HydrophobicContact CG-CD1 3.63Å; R229-L232 HydrophobicContact CG-CG 4.39Å; R229-L232 VanDerWaalsContact NH1-CD1 3.35Å
230T40.8Very low67.8Low134 Ų13476.2 Ų76.282%0.82241%0.414SS*.THydrogen-bonded Turntrans-5997.8153.947.10000107.8
231G42.3Very low66.7Low67 Ų6778.8 Ų78.869%0.69143%0.426SS*.THydrogen-bonded Turntrans129.91.6173.200000117.6R229 T233R229-G231 VanDerWaalsContact C-N 3.32Å; R229-G231 PolarHBondContact O-N 3.25Å; G231-T233 VanDerWaalsContact C-N 3.27Å; G231-T233 PolarHBondContact O-N 3.3Å
232L48.9Very low65.4Low77 Ų7783.6 Ų83.640%0.40344%0.444SS..  trans-81.278.6168.3-69.7168.7000110.5R229 A234 F240R229-L232 HydrophobicContact CB-CD1 3.8Å; R229-L232 HydrophobicContact CB-CG 4.29Å; R229-L232 HydrophobicContact CG-CD1 3.63Å; R229-L232 HydrophobicContact CG-CG 4.39Å; R229-L232 VanDerWaalsContact NH1-CD1 3.35Å; L232-A234 PolarHBondContact O-N 3Å; L232-F240 HydrophobicContact CB-CD2 4.05Å; L232-F240 HydrophobicContact CB-CE2 3.47Å; L232-F240 VanDerWaalsContact CB-CE2 3.47Å; L232-F240 HydrophobicContact CB-CZ 4.46Å; L232-F240 HydrophobicContact CD1-CE2 3.99Å; L232-F240 HydrophobicContact CG-CE2 4.32Å; L232-F240 WeakPolarHBondContact O-CD2 3.38Å
233T47.9Very low64.1Low95 Ų9581.1 Ų81.158%0.58343%0.431SS*.  trans-72.3116.4155.951.70000106.9G231 T235G231-T233 VanDerWaalsContact C-N 3.27Å; G231-T233 PolarHBondContact O-N 3.3Å; T233-T235 PolarHBondContact O-N 3.32Å
234A52.6Low63.1Low30 Ų3090.2 Ų90.225%0.24847%0.469CS..SBendtrans-65.7-27.6-174.900000112.3F86 L232 Q238 F240F86-A234 HydrophobicContact CD1-CB 4.28Å; F86-A234 HydrophobicContact CD2-CB 3.41Å; F86-A234 VanDerWaalsContact CD2-CB 3.41Å; F86-A234 HydrophobicContact CE1-CB 3.98Å; F86-A234 HydrophobicContact CE2-CB 3.06Å; F86-A234 HydrophobicContact CG-CB 4.01Å; F86-A234 HydrophobicContact CZ-CB 3.37Å; L232-A234 PolarHBondContact O-N 3Å; A234-Q238 WeakPolarHBondContact CB-O 3.28Å; A234-F240 HydrophobicContact CB-CD1 4.03Å; A234-F240 HydrophobicContact CB-CE1 3.79Å; A234-F240 HydrophobicContact CB-CZ 4.15Å
235T53.2Low62.3Low72 Ų7291.9 Ų91.944%0.44249%0.487SS..SBendtrans-161.6179.7160.5540000108.6T233 D237 Q238T233-T235 PolarHBondContact O-N 3.32Å; T235-D237 PolarHBondContact O-N 3.18Å; T235-D237 VanDerWaalsContact O-N 3.17Å; T235-Q238 PolarHBondContact N-O 3.32Å; T235-Q238 PolarHBondContact OG1-N 3.12Å
236K50.7Low61.9Low208 Ų20887.3 Ų87.390%0.90447%0.473SS*.SBendtrans-59.1-20.2174.5-82.8-174.9175.6-1790114.3
237D55.1Low61.9Low150 Ų15083.3 Ų83.380%0.80245%0.451SS*.SBendtrans-120.1-8.5-167.4-51.9-45000114.2T235T235-D237 PolarHBondContact O-N 3.18Å; T235-D237 VanDerWaalsContact O-N 3.17Å
238Q59.4Low62.6Low94 Ų9484.4 Ų84.444%0.43946%0.464SS..  trans-140.6117.6-180-76.5-174.4-22.200111.2F86 A234 T235F86-Q238 HydrophobicContact CE2-CB 3.94Å; F86-Q238 HydrophobicContact CZ-CB 3.65Å; A234-Q238 WeakPolarHBondContact CB-O 3.28Å; T235-Q238 PolarHBondContact N-O 3.32Å; T235-Q238 PolarHBondContact OG1-N 3.12Å
239E66.4Low63.7Low142 Ų14285.1 Ų85.166%0.66446%0.457SS*.  trans-88.8152.3172.8-65.7-173.3164.100111.1H85H85-E239 PolarHBondContact ND1-O 2.83Å
240F71.8Confident65.1Low24 Ų2479.1 Ų79.111%0.10543%0.434CS..  trans-57.2143168.2-76.2-39000111.2P49 F86 E88 L232 A234 W242P49-F240 HydrophobicContact CB-CE1 4.5Å; P49-F240 HydrophobicContact CB-CZ 4.43Å; P49-F240 HydrophobicContact CG-CE1 3.98Å; P49-F240 HydrophobicContact CG-CZ 4.22Å; F86-F240 HydrophobicContact CB-CD1 4.44Å; F86-F240 HydrophobicContact CB-CE1 3.92Å; F86-F240 AromaticContact CD2-CD1 3.7Å; F86-F240 HydrophobicContact CD2-CD1 3.7Å; F86-F240 AromaticContact CD2-CE1 3.75Å; F86-F240 HydrophobicContact CD2-CE1 3.75Å; F86-F240 HydrophobicContact CE2-CD1 4.48Å; F86-F240 HydrophobicContact CG-CD1 4.44Å; F86-F240 HydrophobicContact CG-CE1 4.08Å; E88-F240 HydrophobicContact CB-CD1 3.78Å; E88-F240 HydrophobicContact CB-CE1 4.08Å; E88-F240 HydrophobicContact CB-CG 4.33Å; E88-F240 VanDerWaalsContact CD-CD1 3.42Å; E88-F240 HydrophobicContact CG-CB 3.83Å; E88-F240 HydrophobicContact CG-CD1 3.38Å; E88-F240 HydrophobicContact CG-CE1 4.16Å; E88-F240 HydrophobicContact CG-CG 3.81Å; L232-F240 HydrophobicContact CB-CD2 4.05Å; L232-F240 HydrophobicContact CB-CE2 3.47Å; L232-F240 VanDerWaalsContact CB-CE2 3.47Å; L232-F240 HydrophobicContact CB-CZ 4.46Å; L232-F240 HydrophobicContact CD1-CE2 3.99Å; L232-F240 HydrophobicContact CG-CE2 4.32Å; L232-F240 WeakPolarHBondContact O-CD2 3.38Å; A234-F240 HydrophobicContact CB-CD1 4.03Å; A234-F240 HydrophobicContact CB-CE1 3.79Å; A234-F240 HydrophobicContact CB-CZ 4.15Å; F240-W242 HydrophobicContact CB-CZ2 4.15Å; F240-W242 VanDerWaalsContact CB-NE1 3.32Å; F240-W242 HydrophobicContact CD2-CZ2 4.09Å; F240-W242 HydrophobicContact CG-CZ2 4.5Å; F240-W242 PolarHBondContact O-N 2.87Å
241K73.4Confident67.6Low55 Ų5577.4 Ų77.424%0.23941%0.413CS..  trans-75.5112.3173.6-68.1-156.7171.4179.20110.6G82 H85 E88 S91 W96G82-K241 VanDerWaalsContact CA-NZ 3.26Å; G82-K241 WeakPolarHBondContact O-CD 3.48Å; G82-K241 WeakPolarHBondContact O-CE 3.36Å; G82-K241 PolarHBondContact O-NZ 3.35Å; H85-K241 WeakPolarHBondContact CE1-CE 3.27Å; H85-K241 WeakPolarHBondContact ND1-CG 3.16Å; H85-K241 WeakPolarHBondContact NE2-CE 3.36Å; E88-K241 PolarHBondContact OE1-N 3.39Å; S91-K241 VanDerWaalsContact CB-O 3.29Å; S91-K241 WeakPolarHBondContact CB-O 3.27Å; W96-K241 HydrophobicContact CZ3-CB 4.32Å
242W68.5Low70Confident101 Ų10174.4 Ų74.438%0.38338%0.381SS..  trans-113.2141174.2-61.2102.8000110.7S91 L227 F240S91-W242 WeakPolarHBondContact OG-CH2 3.47Å; S91-W242 VanDerWaalsContact OG-CZ2 3.29Å; S91-W242 WeakPolarHBondContact OG-CZ2 3.25Å; S91-W242 WeakPolarHBondContact OG-CZ3 3.14Å; L227-W242 HydrophobicContact CD1-CE3 3.91Å; L227-W242 HydrophobicContact CD1-CH2 3.58Å; L227-W242 HydrophobicContact CD1-CZ3 3.11Å; L227-W242 HydrophobicContact CD2-CH2 3.77Å; L227-W242 HydrophobicContact CD2-CZ3 4.07Å; L227-W242 HydrophobicContact CG-CH2 4.23Å; L227-W242 HydrophobicContact CG-CZ3 4.18Å; F240-W242 HydrophobicContact CB-CZ2 4.15Å; F240-W242 VanDerWaalsContact CB-NE1 3.32Å; F240-W242 HydrophobicContact CD2-CZ2 4.09Å; F240-W242 HydrophobicContact CG-CZ2 4.5Å; F240-W242 PolarHBondContact O-N 2.87Å
243P68.5Low72.2Confident13 Ų1373.7 Ų73.78%0.08438%0.375CS..  trans-79.2156.1169.437.9-35.6000108.3S91 I93 W96 G245 G246 E249S91-P243 WeakPolarHBondContact O-CD 3.14Å; I93-P243 HydrophobicContact CD1-CB 3.6Å; I93-P243 HydrophobicContact CG1-CB 3.31Å; I93-P243 HydrophobicContact CG1-CG 3.73Å; W96-P243 HydrophobicContact CH2-CB 4.44Å; P243-G245 PolarHBondContact O-N 2.68Å; P243-G245 VanDerWaalsContact O-N 3.1Å; P243-G246 PolarHBondContact O-N 2.93Å; P243-E249 WeakPolarHBondContact CB-OE1 3.44Å; P243-E249 WeakPolarHBondContact CB-OE2 3.45Å; P243-E249 HydrophobicContact CG-CB 4.41Å; P243-E249 HydrophobicContact CG-CG 4.49Å
244K71.8Confident74.4Confident222 Ų22269.2 Ų69.297%0.96535%0.348SS*.THydrogen-bonded Turntrans-59.3-29.6-172.3-69.2-176.3177.7-1790112.6
245G76.5Confident76.5Confident36 Ų3667.8 Ų67.837%0.37134%0.336SS..THydrogen-bonded Turntrans-88.8-0.7177.600000116P243 L247 A248 E249P243-G245 PolarHBondContact O-N 2.68Å; P243-G245 VanDerWaalsContact O-N 3.1Å; G245-L247 PolarHBondContact O-N 3.27Å; G245-A248 VanDerWaalsContact O-CB 3.27Å; G245-A248 WeakPolarHBondContact O-CB 3.17Å; G245-A248 PolarHBondContact O-N 3.26Å; G245-A248 VanDerWaalsContact O-N 3.13Å; G245-E249 WeakPolarHBondContact CA-OE1 3.01Å; G245-E249 PolarHBondContact N-OE1 2.92Å
246G78.9Confident78.5Confident22 Ų2265 Ų6523%0.22732%0.319CS..G310 helixtrans55-135-179.400000113.3P243 A248 E249P243-G246 PolarHBondContact O-N 2.93Å; G246-A248 PolarHBondContact O-N 3.41Å; G246-E249 PolarHBondContact O-N 3.03Å
247L82Confident80.6Confident7 Ų755.1 Ų55.14%0.03728%0.276CS..G310 helixtrans-63.4-21178.1-76.2-169.1000114.2A152 L224 L227 G245 E249 L250 R251A152-L247 HydrophobicContact CB-CD1 4.21Å; A152-L247 HydrophobicContact CB-CD2 3.82Å; L224-L247 HydrophobicContact CB-CB 4.42Å; L224-L247 HydrophobicContact CB-CD1 4.13Å; L227-L247 HydrophobicContact CB-CD1 4.5Å; L227-L247 HydrophobicContact CB-CG 4.46Å; L227-L247 HydrophobicContact CD1-CD1 4.3Å; L227-L247 HydrophobicContact CD1-CD2 3.51Å; L227-L247 HydrophobicContact CD1-CG 3.47Å; L227-L247 VanDerWaalsContact CD1-CG 3.47Å; L227-L247 HydrophobicContact CD2-CD2 4.27Å; L227-L247 HydrophobicContact CG-CD1 3.85Å; L227-L247 HydrophobicContact CG-CD2 3.64Å; L227-L247 HydrophobicContact CG-CG 3.56Å; G245-L247 PolarHBondContact O-N 3.27Å; L247-E249 PolarHBondContact O-N 3.1Å; L247-E249 VanDerWaalsContact O-N 3.09Å; L247-L250 HydrophobicContact CD2-CD1 3.87Å; L247-L250 PolarHBondContact O-N 3.23Å; L247-R251 PolarHBondContact O-N 3.41Å
248A85.1Confident82.3Confident51 Ų5153 Ų5342%0.42126%0.259SS..G310 helixtrans-60.9-22.517800000112G245 G246 L250G245-A248 VanDerWaalsContact O-CB 3.27Å; G245-A248 WeakPolarHBondContact O-CB 3.17Å; G245-A248 PolarHBondContact O-N 3.26Å; G245-A248 VanDerWaalsContact O-N 3.13Å; G246-A248 PolarHBondContact O-N 3.41Å; A248-L250 VanDerWaalsContact C-N 3.34Å
249E85.9Confident83.6Confident57 Ų5752 Ų5227%0.26626%0.26SS..G310 helixtrans-84.8-5.6175.8-58.9-167.1-152.100114I93 P243 G245 G246 L247I93-E249 WeakPolarHBondContact CD1-OE2 3.31Å; I93-E249 WeakPolarHBondContact CG1-OE2 3.49Å; I93-E249 HydrophobicContact CG2-CB 4.26Å; I93-E249 WeakPolarHBondContact CG2-OE2 3.48Å; P243-E249 WeakPolarHBondContact CB-OE1 3.44Å; P243-E249 WeakPolarHBondContact CB-OE2 3.45Å; P243-E249 HydrophobicContact CG-CB 4.41Å; P243-E249 HydrophobicContact CG-CG 4.49Å; G245-E249 WeakPolarHBondContact CA-OE1 3.01Å; G245-E249 PolarHBondContact N-OE1 2.92Å; G246-E249 PolarHBondContact O-N 3.03Å; L247-E249 PolarHBondContact O-N 3.1Å; L247-E249 VanDerWaalsContact O-N 3.09Å
250L88.3Confident84.2Confident5 Ų551.5 Ų51.53%0.02627%0.272CS..THydrogen-bonded Turntrans-106.6-31.4170.6-65.6-179.4000112.2A94 P135 W154 L224 L247 A248 G252 K253A94-L250 HydrophobicContact CB-CD2 4.36Å; P135-L250 HydrophobicContact CB-CB 4.32Å; P135-L250 HydrophobicContact CB-CD1 4.45Å; P135-L250 HydrophobicContact CG-CB 4.11Å; P135-L250 HydrophobicContact CG-CD2 4.34Å; W154-L250 HydrophobicContact CH2-CD2 4.3Å; W154-L250 HydrophobicContact CZ2-CD2 3.61Å; L224-L250 HydrophobicContact CD1-CB 4.14Å; L247-L250 HydrophobicContact CD2-CD1 3.87Å; L247-L250 PolarHBondContact O-N 3.23Å; A248-L250 VanDerWaalsContact C-N 3.34Å; L250-G252 PolarHBondContact O-N 3.19Å; L250-K253 WeakPolarHBondContact O-CB 3.39Å; L250-K253 PolarHBondContact O-N 3.43Å
251R91.8Very high84.8Confident98 Ų9852.9 Ų52.937%0.3728%0.28SS..THydrogen-bonded Turntrans-58.7125.9-177.8-172.9179.962.6-168.4-1.4110.7N222 L224 L247 K253N222-R251 VanDerWaalsContact O-CD 3.31Å; N222-R251 WeakPolarHBondContact O-CD 3.24Å; N222-R251 WeakPolarHBondContact O-CG 3.44Å; L224-R251 HydrophobicContact CB-CB 4.23Å; L224-R251 WeakPolarHBondContact O-CB 3.39Å; L224-R251 WeakPolarHBondContact O-CD 3.16Å; L247-R251 PolarHBondContact O-N 3.41Å; R251-K253 PolarHBondContact O-N 2.91Å
252G94Very high85.4Confident3 Ų352.7 Ų52.73%0.03128%0.282CS..THydrogen-bonded Turntrans725.7-17800000113.5D113 I114 N221 N222 L250D113-G252 CarbonylContact C-O 3.03Å; D113-G252 VanDerWaalsContact CA-O 3.31Å; D113-G252 WeakPolarHBondContact CA-O 3.09Å; D113-G252 VanDerWaalsContact OD1-O 3.13Å; I114-G252 PolarHBondContact N-O 2.66Å; N221-G252 PolarHBondContact O-N 3.17Å; N221-G252 VanDerWaalsContact OD1-C 3.31Å; N221-G252 WeakPolarHBondContact OD1-CA 3.42Å; N221-G252 PolarHBondContact OD1-N 3.13Å; N221-G252 VanDerWaalsContact OD1-N 3.1Å; N222-G252 VanDerWaalsContact OD1-CA 3.31Å; N222-G252 WeakPolarHBondContact OD1-CA 3.19Å; L250-G252 PolarHBondContact O-N 3.19Å
253K94.2Very high86.3Confident63 Ų6350.1 Ų50.127%0.27428%0.277SS..EExtended strand (participates in β ladder)trans-106.4138.3-178.1-55.1-52.7177.2-165.80110.8A94 V111 D113 P135 N221 L250 R251A94-K253 HydrophobicContact CB-CB 3.73Å; A94-K253 HydrophobicContact CB-CG 4.48Å; V111-K253 HydrophobicContact CG1-CB 4Å; V111-K253 HydrophobicContact CG1-CD 4.13Å; V111-K253 HydrophobicContact CG1-CG 4.28Å; D113-K253 IonicContact OD2-NZ 2.8Å; D113-K253 PolarHBondContact OD2-NZ 2.79Å; P135-K253 WeakPolarHBondContact CD-O 3.21Å; P135-K253 WeakPolarHBondContact CG-O 3.25Å; N221-K253 PolarHBondContact ND2-O 3.35Å; N221-K253 PolarHBondContact OD1-N 3.3Å; L250-K253 WeakPolarHBondContact O-CB 3.39Å; L250-K253 PolarHBondContact O-N 3.43Å; R251-K253 PolarHBondContact O-N 2.91Å
254V95Very high87.4Confident1 Ų152.2 Ų52.21%0.00629%0.288CS..EExtended strand (participates in β ladder)trans-126.4155.6169.4-58.40000109.8V111 V112 I114 L117 V132 I134 T256V111-V254 WeakPolarHBondContact CA-O 3.48Å; V112-V254 HydrophobicContact CB-CG2 4.18Å; V112-V254 PolarHBondContact N-O 3.19Å; V112-V254 PolarHBondContact O-N 2.97Å; I114-V254 HydrophobicContact CB-CG1 4.04Å; I114-V254 HydrophobicContact CD1-CG1 3.51Å; I114-V254 HydrophobicContact CG1-CG1 3.65Å; L117-V254 HydrophobicContact CD1-CG2 3.56Å; V132-V254 HydrophobicContact CG1-CB 4.34Å; I134-V254 HydrophobicContact CB-CG1 4.35Å; I134-V254 HydrophobicContact CD1-CG1 4.13Å; I134-V254 HydrophobicContact CG1-CB 4.22Å; I134-V254 HydrophobicContact CG1-CG1 3.76Å; I134-V254 HydrophobicContact CG2-CG1 4.12Å; V254-T256 HydrophobicContact CG2-CG2 4.4Å
255V95.7Very high88.4Confident0 Ų041.6 Ų41.60%025%0.246CC..EExtended strand (participates in β ladder)trans-113111.8173.9-178.10000108.9A94 M97 A98 A109 K110 V111 L133 W154 L257A94-V255 HydrophobicContact CB-CG2 4Å; A94-V255 VanDerWaalsContact O-CG2 3.32Å; A94-V255 WeakPolarHBondContact O-CG2 3.44Å; M97-V255 HydrophobicContact CB-CG2 4.15Å; M97-V255 HydrophobicContact CG-CB 4.38Å; M97-V255 HydrophobicContact CG-CG1 4.4Å; M97-V255 HydrophobicContact CG-CG2 4.01Å; A98-V255 HydrophobicContact CB-CG1 4.03Å; A109-V255 HydrophobicContact CB-CG1 4.3Å; K110-V255 WeakPolarHBondContact O-CA 3.44Å; V111-V255 HydrophobicContact CG2-CG2 4.36Å; L133-V255 HydrophobicContact CB-CB 4.07Å; L133-V255 HydrophobicContact CD1-CB 4.32Å; L133-V255 HydrophobicContact CD1-CG1 4.28Å; L133-V255 PolarHBondContact N-O 3.42Å; L133-V255 PolarHBondContact O-N 2.93Å; W154-V255 HydrophobicContact CH2-CG2 4.03Å; W154-V255 HydrophobicContact CZ3-CG2 4.25Å; V255-L257 HydrophobicContact CG1-CD2 4.25Å
256T95.7Very high89.2Confident13 Ų1342 Ų428%0.0824%0.237CC..EExtended strand (participates in β ladder)trans-91.2138.6176.958.50000109.7A109 K110 V112 L117 H125 V132 V254A109-T256 WeakPolarHBondContact CA-O 3.44Å; K110-T256 PolarHBondContact N-O 2.92Å; K110-T256 PolarHBondContact O-N 3.01Å; K110-T256 PolarHBondContact O-OG1 3.49Å; V112-T256 HydrophobicContact CG2-CG2 4.02Å; L117-T256 HydrophobicContact CD1-CG2 4.41Å; H125-T256 VanDerWaalsContact CE1-CB 3.49Å; H125-T256 WeakPolarHBondContact CE1-CB 3.3Å; H125-T256 WeakPolarHBondContact NE2-CB 3.03Å; V132-T256 HydrophobicContact CG1-CG2 4.37Å; V254-T256 HydrophobicContact CG2-CG2 4.4Å
257L95.2Very high89.9Confident0 Ų043.4 Ų43.40%024%0.238CC..EExtended strand (participates in β ladder)trans-119.9136.8-178.8-57.4171.8000110.2A59 L63 A101 A109 H125 P131 L133 V255A59-L257 HydrophobicContact CB-CD1 3.54Å; L63-L257 HydrophobicContact CD1-CB 4.13Å; L63-L257 HydrophobicContact CD1-CD1 4.2Å; A101-L257 HydrophobicContact CB-CD2 3.73Å; A109-L257 HydrophobicContact CB-CD2 3.39Å; H125-L257 PolarHBondContact NE2-O 2.84Å; H125-L257 VanDerWaalsContact NE2-O 3.12Å; P131-L257 HydrophobicContact CG-CD1 4.13Å; L133-L257 HydrophobicContact CD1-CD1 3.85Å; L133-L257 HydrophobicContact CD1-CD2 4.49Å; L133-L257 HydrophobicContact CD1-CG 4.35Å; L133-L257 HydrophobicContact CG-CD1 4.38Å; V255-L257 HydrophobicContact CG1-CD2 4.25Å
258K91.5Very high90.5Very high106 Ų10646.2 Ų46.246%0.46125%0.254SS..EExtended strand (participates in β ladder)trans-136.5136175.2-175.8-171.2172.5-175.30109.2C107 C108 N129C107-K258 CarbonylContact C-O 3.53Å; C107-K258 WeakPolarHBondContact CA-O 3.19Å; C107-K258 WeakPolarHBondContact CB-O 3.4Å; C108-K258 HydrophobicContact CB-CB 4.5Å; C108-K258 PolarHBondContact N-O 2.84Å; C108-K258 PolarHBondContact O-N 3.15Å; N129-K258 HydrophobicContact CB-CB 3.99Å; N129-K258 HydrophobicContact CB-CG 3.87Å; N129-K258 WeakPolarHBondContact OD1-CG 3.27Å
259T86.1Confident91Very high74 Ų7445.8 Ų45.845%0.45424%0.24SC..EExtended strand (participates in β ladder)trans-56.1137.7168.129.30000111.1L63L63-T259 HydrophobicContact CD2-CG2 4.28Å
260S78.3Confident91.4Very high130 Ų13044.8 Ų44.891%0.90924%0.237SC*.  trans-68.30-177.6-57.70000113D106 C107D106-S260 VanDerWaalsContact C-OG 3.22Å; D106-S260 WeakPolarHBondContact O-CB 3.45Å; D106-S260 PolarHBondContact O-OG 3.49Å; C107-S260 VanDerWaalsContact CA-OG 3.3Å; C107-S260 WeakPolarHBondContact CA-OG 3.36Å; C107-S260 PolarHBondContact N-OG 3.48Å

Retrieved 260 of 260 residues in 138.9 ms (Link to these results)

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