A0A096NYM7_PAPAN Loading...

COMM domain containing 8

AlphaFold DB (H9ZAJ5), UniProt , Accession A0A096NYM7, Species PAPAN (Papio anubis, Olive baboon), Gene COMMD8, Length 183 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
1M33.2Very low57.1Low241 Ų241104.5 Ų104.5100%1.18755%0.55SS*.  0101.10-114.6174.2107.400105.3
2E34.7Very low59.6Low185 Ų18596.1 Ų96.186%0.86451%0.505SS*.PPolyproline II helixtrans-65.8131.7170.4-66.8-177.2158.800107.3E4E2-E4 PolarHBondContact O-N 2.93Å
3P42.8Very low61.8Low98 Ų9894.8 Ų94.864%0.63650%0.495SS*.PPolyproline II helixtrans-70.3125.1178.921.6-18.1000108.5E5P3-E5 PolarHBondContact O-N 3.38Å
4E42.1Very low63.7Low160 Ų16095 Ų9575%0.74849%0.49SS*.PPolyproline II helixtrans-47.2127.1178.7-63.9179.7164.700111.1E2 G6E2-E4 PolarHBondContact O-N 2.93Å; E4-G6 PolarHBondContact O-N 2.89Å
5E45.8Very low65.3Low167 Ų16789 Ų8978%0.7846%0.459SS*.THydrogen-bonded Turntrans-63.119.9177-66.3179.4134.900114.3P3P3-E5 PolarHBondContact O-N 3.38Å
6G48Very low66.7Low69 Ų6987.4 Ų87.471%0.71146%0.456SS*.THydrogen-bonded Turntrans-95.1-5.2-163.300000117.1E4E4-G6 PolarHBondContact O-N 2.89Å
7T57.9Low67.7Low43 Ų4385.2 Ų85.226%0.26445%0.453SS..SBendtrans-120.4135.1-17837.30000112.6L9 W10 Q81T7-L9 PolarHBondContact O-N 2.92Å; T7-W10 PolarHBondContact O-N 2.82Å; T7-Q81 VanDerWaalsContact CG2-NE2 3.32Å; T7-Q81 PolarHBondContact OG1-OE1 3.37Å
8L67.6Low68.6Low91 Ų9190.5 Ų90.548%0.47648%0.475SS..THydrogen-bonded Turntrans-52.8-31.6-176-64.1169000112.8D57L8-D57 HydrophobicContact CB-CB 3.97Å; L8-D57 HydrophobicContact CD2-CB 4.4Å; L8-D57 VanDerWaalsContact CD2-OD1 3.22Å; L8-D57 WeakPolarHBondContact CD2-OD1 3.43Å; L8-D57 WeakPolarHBondContact O-CB 3.38Å; L8-D57 VanDerWaalsContact O-OD2 3.09Å
9L84.3Confident69.6Low11 Ų1188.3 Ų88.36%0.05846%0.464CS..THydrogen-bonded Turntrans-105.3-2.8-168.7-61.4-179.7000116.3T7 R11 L12 I58 F61 L79 L82 I90T7-L9 PolarHBondContact O-N 2.92Å; L9-R11 PolarHBondContact O-N 3.23Å; L9-L12 HydrophobicContact CB-CD1 4.35Å; L9-L12 HydrophobicContact CD2-CD1 4.24Å; L9-L12 WeakPolarHBondContact O-CB 3.35Å; L9-L12 PolarHBondContact O-N 3.46Å; L9-I58 HydrophobicContact CD2-CB 4.4Å; L9-I58 HydrophobicContact CD2-CG1 3.81Å; L9-F61 HydrophobicContact CD1-CB 4.21Å; L9-F61 HydrophobicContact CD1-CD1 3.97Å; L9-F61 HydrophobicContact CD1-CD2 3.59Å; L9-F61 HydrophobicContact CD1-CE1 4.21Å; L9-F61 HydrophobicContact CD1-CE2 3.84Å; L9-F61 HydrophobicContact CD1-CG 3.65Å; L9-F61 HydrophobicContact CD1-CZ 4.13Å; L9-F61 HydrophobicContact CD2-CB 4.02Å; L9-F61 HydrophobicContact CD2-CG 4.32Å; L9-F61 HydrophobicContact CG-CB 4.4Å; L9-F61 HydrophobicContact CG-CD2 4.41Å; L9-F61 HydrophobicContact CG-CG 4.34Å; L9-L79 HydrophobicContact CD1-CD2 3.46Å; L9-L79 VanDerWaalsContact CD1-CD2 3.46Å; L9-L82 HydrophobicContact CB-CD1 4.23Å; L9-L82 HydrophobicContact CB-CD2 4.49Å; L9-L82 WeakPolarHBondContact O-CD2 3.44Å; L9-I90 HydrophobicContact CD1-CD1 4.44Å
10W83.4Confident70.5Confident44 Ų4484 Ų8417%0.16744%0.441CS..G310 helixtrans-57.2-31-17174.4-102.8000113.3T7 L12 Q13T7-W10 PolarHBondContact O-N 2.82Å; W10-L12 PolarHBondContact O-N 2.91Å; W10-L12 VanDerWaalsContact O-N 3.13Å; W10-Q13 VanDerWaalsContact O-CB 3.28Å; W10-Q13 WeakPolarHBondContact O-CB 3.32Å; W10-Q13 WeakPolarHBondContact O-CG 3.31Å; W10-Q13 PolarHBondContact O-N 2.8Å
11R88Confident71.4Confident41 Ų4182.2 Ų82.216%0.15543%0.434CS..G310 helixtrans-60.5-22.3179.1-63.9179.8-179.589.26.1113.5L9 Q13 K14 W46 E50 V54 D57L9-R11 PolarHBondContact O-N 3.23Å; R11-Q13 PolarHBondContact O-N 2.76Å; R11-K14 WeakPolarHBondContact O-CB 3.37Å; R11-K14 PolarHBondContact O-N 3.12Å; R11-K14 VanDerWaalsContact O-N 3.16Å; R11-W46 WeakPolarHBondContact O-CZ2 3.28Å; R11-W46 PolarHBondContact O-NE1 3.36Å; R11-E50 IonicContact NE-OE1 3.92Å; R11-V54 HydrophobicContact CB-CG2 3.72Å; R11-V54 HydrophobicContact CG-CG2 4.34Å; R11-D57 IonicContact NH1-OD2 2.96Å; R11-D57 PolarHBondContact NH1-OD2 3.34Å
12L87.9Confident74.3Confident3 Ų375.5 Ų75.52%0.01640%0.4CS..G310 helixtrans-61.7-22.8174-77.8176.2000113L9 W10 K14 L15 L23 L24 I58 L82 H86 I90L9-L12 HydrophobicContact CB-CD1 4.35Å; L9-L12 HydrophobicContact CD2-CD1 4.24Å; L9-L12 WeakPolarHBondContact O-CB 3.35Å; L9-L12 PolarHBondContact O-N 3.46Å; W10-L12 PolarHBondContact O-N 2.91Å; W10-L12 VanDerWaalsContact O-N 3.13Å; L12-K14 PolarHBondContact O-N 2.81Å; L12-L15 HydrophobicContact CD2-CD2 4.01Å; L12-L15 VanDerWaalsContact O-CB 3.23Å; L12-L15 WeakPolarHBondContact O-CB 3.46Å; L12-L15 PolarHBondContact O-N 3.45Å; L12-L23 HydrophobicContact CD2-CD2 4.41Å; L12-L24 HydrophobicContact CD1-CD2 4.41Å; L12-I58 HydrophobicContact CD1-CD1 4.27Å; L12-I58 HydrophobicContact CD1-CG1 4.24Å; L12-I58 HydrophobicContact CD2-CD1 3.58Å; L12-I58 HydrophobicContact CD2-CG1 4.41Å; L12-I58 HydrophobicContact CG-CD1 4.04Å; L12-I58 HydrophobicContact CG-CG1 4.37Å; L12-L82 HydrophobicContact CB-CD2 4.27Å; L12-L82 HydrophobicContact CD1-CD1 4.3Å; L12-H86 PolarHBondContact O-CE1 3.44Å; L12-H86 PolarHBondContact O-NE2 3.1Å; L12-I90 HydrophobicContact CD1-CD1 3.77Å
13Q87.1Confident77.1Confident80 Ų8066.7 Ų66.737%0.37436%0.359SS..G310 helixtrans-62-23.5175.9-69.5-8218.900113.2W10 R11 L15 Q81 L82 N83W10-Q13 VanDerWaalsContact O-CB 3.28Å; W10-Q13 WeakPolarHBondContact O-CB 3.32Å; W10-Q13 WeakPolarHBondContact O-CG 3.31Å; W10-Q13 PolarHBondContact O-N 2.8Å; R11-Q13 PolarHBondContact O-N 2.76Å; Q13-L15 VanDerWaalsContact C-N 3.27Å; Q13-Q81 PolarHBondContact NE2-O 2.85Å; Q13-L82 HydrophobicContact CG-CD2 4.02Å; Q13-L82 VanDerWaalsContact NE2-C 3.31Å; Q13-N83 PolarHBondContact OE1-ND2 2.96Å
14K88.7Confident79.6Confident97 Ų9762.2 Ų62.242%0.42233%0.33SS..G310 helixtrans-75.6-18175.9-63.6-178.9175.31780112.5R11 L12 P16 V45 E50R11-K14 WeakPolarHBondContact O-CB 3.37Å; R11-K14 PolarHBondContact O-N 3.12Å; R11-K14 VanDerWaalsContact O-N 3.16Å; L12-K14 PolarHBondContact O-N 2.81Å; K14-P16 WeakPolarHBondContact O-CD 3.19Å; K14-V45 HydrophobicContact CB-CG1 3.96Å; K14-V45 WeakPolarHBondContact O-CG1 3.48Å; K14-E50 IonicContact NZ-OE1 2.7Å; K14-E50 PolarHBondContact NZ-OE1 3.01Å; K14-E50 IonicContact NZ-OE2 2.91Å; K14-E50 PolarHBondContact NZ-OE2 2.86Å
15L88.1Confident82.1Confident5 Ų557.6 Ų57.63%0.02631%0.308CS..SBendtrans-79.8125.9-172-17262.4000111L12 Q13 L19 G20 L23 Y42 W46 H86L12-L15 HydrophobicContact CD2-CD2 4.01Å; L12-L15 VanDerWaalsContact O-CB 3.23Å; L12-L15 WeakPolarHBondContact O-CB 3.46Å; L12-L15 PolarHBondContact O-N 3.45Å; Q13-L15 VanDerWaalsContact C-N 3.27Å; L15-L19 HydrophobicContact CD1-CB 3.73Å; L15-L19 HydrophobicContact CD1-CD1 4.48Å; L15-L19 HydrophobicContact CG-CB 4.28Å; L15-G20 VanDerWaalsContact CD2-CA 3.5Å; L15-L23 HydrophobicContact CD1-CD2 4.33Å; L15-L23 HydrophobicContact CD2-CB 4.22Å; L15-L23 HydrophobicContact CD2-CD2 3.59Å; L15-Y42 HydrophobicContact CD1-CD1 4.26Å; L15-Y42 HydrophobicContact CD1-CE1 4.41Å; L15-W46 HydrophobicContact CB-CH2 3.84Å; L15-W46 HydrophobicContact CB-CZ2 4.07Å; L15-W46 HydrophobicContact CD1-CH2 3.61Å; L15-W46 HydrophobicContact CD1-CZ3 3.86Å; L15-W46 HydrophobicContact CD2-CH2 4.06Å; L15-W46 HydrophobicContact CG-CH2 4.04Å; L15-H86 PolarHBondContact O-CE1 3.43Å; L15-H86 VanDerWaalsContact O-CE1 3.25Å
16P87Confident84.4Confident64 Ų6452.3 Ų52.342%0.41628%0.282SS..  trans-57.5144.3171.2-25.935.3000111.9K14 E18 L19 G20K14-P16 WeakPolarHBondContact O-CD 3.19Å; P16-E18 PolarHBondContact O-N 2.83Å; P16-E18 VanDerWaalsContact O-N 3.12Å; P16-L19 HydrophobicContact CG-CD1 4.44Å; P16-L19 PolarHBondContact O-N 3.42Å; P16-G20 PolarHBondContact O-N 2.87Å
17A83.7Confident86.7Confident49 Ų4949 Ų4941%0.40525%0.249SC..THydrogen-bonded Turntrans-54.3-37.3-176.200000113.1L19 G20 P21 F85A17-L19 VanDerWaalsContact C-N 3.31Å; A17-L19 PolarHBondContact O-N 2.92Å; A17-G20 PolarHBondContact O-N 2.82Å; A17-P21 WeakPolarHBondContact O-CD 3.33Å; A17-F85 HydrophobicContact CB-CD1 3.88Å; A17-F85 HydrophobicContact CB-CD2 4.3Å; A17-F85 HydrophobicContact CB-CE1 3.53Å; A17-F85 HydrophobicContact CB-CE2 3.95Å; A17-F85 HydrophobicContact CB-CG 4.28Å; A17-F85 HydrophobicContact CB-CZ 3.56Å; A17-F85 WeakPolarHBondContact O-CE1 3.34Å; A17-F85 WeakPolarHBondContact O-CZ 3.34Å
18E85.1Confident88.5Confident181 Ų18147 Ų4785%0.84624%0.236SC*.THydrogen-bonded Turntrans-64.9-32.3-178.6-58.7-178.7179.300113.3P16P16-E18 PolarHBondContact O-N 2.83Å; P16-E18 VanDerWaalsContact O-N 3.12Å
19L86.6Confident89.8Confident49 Ų4944.4 Ų44.426%0.25722%0.223SC..THydrogen-bonded Turntrans-90.9-15.9-177.1-63.5179.7000113L15 P16 A17 Q22 L23 Y42L15-L19 HydrophobicContact CD1-CB 3.73Å; L15-L19 HydrophobicContact CD1-CD1 4.48Å; L15-L19 HydrophobicContact CG-CB 4.28Å; P16-L19 HydrophobicContact CG-CD1 4.44Å; P16-L19 PolarHBondContact O-N 3.42Å; A17-L19 VanDerWaalsContact C-N 3.31Å; A17-L19 PolarHBondContact O-N 2.92Å; L19-Q22 PolarHBondContact O-N 2.77Å; L19-L23 WeakPolarHBondContact O-CB 3.39Å; L19-L23 PolarHBondContact O-N 3.04Å; L19-Y42 HydrophobicContact CB-CE1 4.33Å
20G87.6Confident90.2Very high1 Ų144.1 Ų44.11%0.0122%0.223CC..Hα-helixtrans-50.4-62.6-179.500000114.3L15 P16 A17 Q22 L23 L24L15-G20 VanDerWaalsContact CD2-CA 3.5Å; P16-G20 PolarHBondContact O-N 2.87Å; A17-G20 PolarHBondContact O-N 2.82Å; G20-Q22 VanDerWaalsContact C-N 3.32Å; G20-Q22 PolarHBondContact O-N 2.76Å; G20-L23 PolarHBondContact O-N 3.01Å; G20-L24 VanDerWaalsContact O-CG 3.3Å; G20-L24 WeakPolarHBondContact O-CG 3.29Å; G20-L24 PolarHBondContact O-N 3.32Å; G20-L24 VanDerWaalsContact O-N 3.13Å
21P91Very high90.7Very high47 Ų4742.7 Ų42.731%0.30522%0.218SC..Hα-helixtrans-59-42.7-178.2-2331.7000112.6A17 L24 H25 T89A17-P21 WeakPolarHBondContact O-CD 3.33Å; P21-L24 PolarHBondContact O-N 2.78Å; P21-H25 WeakPolarHBondContact O-CB 3.46Å; P21-H25 PolarHBondContact O-CD2 3.4Å; P21-H25 PolarHBondContact O-N 2.84Å; P21-T89 HydrophobicContact CB-CG2 4.13Å; P21-T89 HydrophobicContact CG-CG2 3.79Å
22Q92.6Very high90.9Very high101 Ų10141.6 Ų41.647%0.47222%0.216SC..Hα-helixtrans-64.6-44.7-177.2-171.2-177.421.400111.8L19 G20 K26L19-Q22 PolarHBondContact O-N 2.77Å; G20-Q22 VanDerWaalsContact C-N 3.32Å; G20-Q22 PolarHBondContact O-N 2.76Å; Q22-K26 WeakPolarHBondContact O-CG 3.32Å; Q22-K26 PolarHBondContact O-N 3.3Å
23L94.1Very high90.8Very high0 Ų044.8 Ų44.80%025%0.25CC..Hα-helixtrans-61.3-50.6177.5178.265.4000110.9L12 L15 L19 G20 H25 K26 I27 P37 Y42 W46 W51 I58L12-L23 HydrophobicContact CD2-CD2 4.41Å; L15-L23 HydrophobicContact CD1-CD2 4.33Å; L15-L23 HydrophobicContact CD2-CB 4.22Å; L15-L23 HydrophobicContact CD2-CD2 3.59Å; L19-L23 WeakPolarHBondContact O-CB 3.39Å; L19-L23 PolarHBondContact O-N 3.04Å; G20-L23 PolarHBondContact O-N 3.01Å; L23-H25 VanDerWaalsContact C-N 3.33Å; L23-H25 PolarHBondContact O-N 3.37Å; L23-K26 PolarHBondContact O-N 2.76Å; L23-I27 HydrophobicContact CD1-CD1 3.92Å; L23-I27 HydrophobicContact CD1-CG1 4.25Å; L23-I27 HydrophobicContact CD2-CD1 4.46Å; L23-I27 HydrophobicContact CG-CD1 3.84Å; L23-I27 HydrophobicContact CG-CG1 4.49Å; L23-I27 WeakPolarHBondContact O-CG1 3.44Å; L23-I27 PolarHBondContact O-N 2.89Å; L23-P37 HydrophobicContact CD1-CB 4.06Å; L23-P37 HydrophobicContact CD1-CG 3.94Å; L23-Y42 WeakPolarHBondContact CA-OH 3.39Å; L23-Y42 HydrophobicContact CB-CE1 3.95Å; L23-Y42 HydrophobicContact CD1-CD1 4.45Å; L23-Y42 HydrophobicContact CD1-CD2 4.25Å; L23-Y42 HydrophobicContact CD1-CE1 3.98Å; L23-Y42 HydrophobicContact CD1-CE2 3.76Å; L23-Y42 HydrophobicContact CG-CE1 4.37Å; L23-W46 HydrophobicContact CD2-CH2 3.64Å; L23-W46 HydrophobicContact CD2-CZ3 3.77Å; L23-W51 HydrophobicContact CD1-CH2 3.42Å; L23-W51 VanDerWaalsContact CD1-CH2 3.42Å; L23-W51 HydrophobicContact CD1-CZ3 3.71Å; L23-W51 HydrophobicContact CD2-CZ3 4.48Å; L23-I58 HydrophobicContact CD2-CD1 4.44Å
24L94.9Very high91Very high4 Ų446.5 Ų46.52%0.02125%0.253CS..Hα-helixtrans-60.2-43.5-178.2-66.1169.2000111.3L12 G20 P21 I27 I28 I58 F62 T89 I90L12-L24 HydrophobicContact CD1-CD2 4.41Å; G20-L24 VanDerWaalsContact O-CG 3.3Å; G20-L24 WeakPolarHBondContact O-CG 3.29Å; G20-L24 PolarHBondContact O-N 3.32Å; G20-L24 VanDerWaalsContact O-N 3.13Å; P21-L24 PolarHBondContact O-N 2.78Å; L24-I27 PolarHBondContact O-N 2.83Å; L24-I28 VanDerWaalsContact O-CG1 3.25Å; L24-I28 WeakPolarHBondContact O-CG1 3.44Å; L24-I28 PolarHBondContact O-N 3.23Å; L24-I58 HydrophobicContact CD2-CD1 4.49Å; L24-I58 HydrophobicContact CD2-CG2 3.88Å; L24-F62 HydrophobicContact CD2-CE2 3.92Å; L24-F62 HydrophobicContact CD2-CZ 4.28Å; L24-T89 HydrophobicContact CD1-CG2 3.68Å; L24-I90 HydrophobicContact CD1-CG1 3.81Å; L24-I90 HydrophobicContact CD2-CG1 4.26Å
25H94.9Very high91.1Very high63 Ų6345.7 Ų45.729%0.29227%0.265SS..Hα-helixtrans-63.4-43.7175.3-75.8-55.5000112.8P21 L23 I27 I28 D29P21-H25 WeakPolarHBondContact O-CB 3.46Å; P21-H25 PolarHBondContact O-CD2 3.4Å; P21-H25 PolarHBondContact O-N 2.84Å; L23-H25 VanDerWaalsContact C-N 3.33Å; L23-H25 PolarHBondContact O-N 3.37Å; H25-I27 VanDerWaalsContact C-N 3.32Å; H25-I27 PolarHBondContact O-N 2.74Å; H25-I28 PolarHBondContact O-N 2.96Å; H25-D29 PolarHBondContact O-N 3.5Å
26K94.9Very high91.3Very high55 Ų5550.7 Ų50.724%0.23928%0.284CS..Hα-helixtrans-63.7-35.8176.3-76.7-171.5178.6-178.60112.4Q22 L23 D29 G30 P37 D41Q22-K26 WeakPolarHBondContact O-CG 3.32Å; Q22-K26 PolarHBondContact O-N 3.3Å; L23-K26 PolarHBondContact O-N 2.76Å; K26-D29 WeakPolarHBondContact O-CB 3.37Å; K26-D29 PolarHBondContact O-N 3.23Å; K26-G30 PolarHBondContact O-N 2.92Å; K26-P37 HydrophobicContact CB-CB 3.89Å; K26-P37 HydrophobicContact CB-CG 4.26Å; K26-P37 HydrophobicContact CD-CB 3.89Å; K26-D41 IonicContact NZ-OD2 2.7Å; K26-D41 PolarHBondContact NZ-OD2 2.88Å
27I95.4Very high91.6Very high0 Ų048 Ų480%027%0.267CS..Hα-helixtrans-67.4-43.6175.4-66.1170.4000110.3L23 L24 H25 D29 G30 I31 P37 L55 I58 A59L23-I27 HydrophobicContact CD1-CD1 3.92Å; L23-I27 HydrophobicContact CD1-CG1 4.25Å; L23-I27 HydrophobicContact CD2-CD1 4.46Å; L23-I27 HydrophobicContact CG-CD1 3.84Å; L23-I27 HydrophobicContact CG-CG1 4.49Å; L23-I27 WeakPolarHBondContact O-CG1 3.44Å; L23-I27 PolarHBondContact O-N 2.89Å; L24-I27 PolarHBondContact O-N 2.83Å; H25-I27 VanDerWaalsContact C-N 3.32Å; H25-I27 PolarHBondContact O-N 2.74Å; I27-D29 VanDerWaalsContact C-N 3.28Å; I27-D29 PolarHBondContact O-N 3.48Å; I27-G30 WeakPolarHBondContact O-CA 3.44Å; I27-G30 PolarHBondContact O-N 3.38Å; I27-G30 VanDerWaalsContact O-N 3.13Å; I27-I31 HydrophobicContact CG2-CD1 4.41Å; I27-I31 WeakPolarHBondContact O-CG1 3.4Å; I27-I31 PolarHBondContact O-N 3.47Å; I27-P37 HydrophobicContact CG1-CG 3.8Å; I27-L55 HydrophobicContact CD1-CD2 3.78Å; I27-L55 HydrophobicContact CG1-CD2 3.73Å; I27-I58 HydrophobicContact CB-CG2 4.32Å; I27-I58 HydrophobicContact CD1-CB 3.89Å; I27-I58 HydrophobicContact CD1-CD1 3.53Å; I27-I58 HydrophobicContact CD1-CG1 4.32Å; I27-I58 HydrophobicContact CD1-CG2 3.72Å; I27-I58 HydrophobicContact CG2-CB 4.36Å; I27-I58 HydrophobicContact CG2-CG2 3.87Å; I27-A59 HydrophobicContact CG2-CB 4.15Å
28I95.9Very high91.9Very high0 Ų049.3 Ų49.30%027%0.269CS..Hα-helixtrans-60.7-40.6174-65.8164.9000110.7L24 H25 G30 I31 C32 F62 C93 R97 I101L24-I28 VanDerWaalsContact O-CG1 3.25Å; L24-I28 WeakPolarHBondContact O-CG1 3.44Å; L24-I28 PolarHBondContact O-N 3.23Å; H25-I28 PolarHBondContact O-N 2.96Å; I28-G30 VanDerWaalsContact C-N 3.29Å; I28-G30 PolarHBondContact O-N 2.97Å; I28-I31 WeakPolarHBondContact O-CB 3.47Å; I28-I31 PolarHBondContact O-N 3.41Å; I28-I31 VanDerWaalsContact O-N 3.16Å; I28-C32 WeakPolarHBondContact O-CB 3.29Å; I28-C32 PolarHBondContact O-N 3.14Å; I28-C32 PolarHBondContact O-SG 3.03Å; I28-F62 HydrophobicContact CD1-CD1 4.19Å; I28-F62 HydrophobicContact CD1-CE1 3.76Å; I28-F62 HydrophobicContact CD1-CE2 4.21Å; I28-F62 HydrophobicContact CD1-CZ 3.79Å; I28-F62 HydrophobicContact CG1-CD1 4.25Å; I28-F62 HydrophobicContact CG1-CD2 4.14Å; I28-F62 HydrophobicContact CG1-CE1 4.25Å; I28-F62 HydrophobicContact CG1-CE2 4.14Å; I28-F62 HydrophobicContact CG1-CG 4.21Å; I28-F62 HydrophobicContact CG1-CZ 4.21Å; I28-C93 HydrophobicContact CD1-CB 3.83Å; I28-R97 HydrophobicContact CD1-CB 4.3Å; I28-R97 HydrophobicContact CD1-CG 4.27Å; I28-R97 HydrophobicContact CG2-CB 4Å; I28-R97 HydrophobicContact CG2-CG 4.32Å; I28-I101 HydrophobicContact CD1-CD1 4.45Å; I28-I101 HydrophobicContact CG1-CD1 4.23Å; I28-I101 HydrophobicContact CG2-CD1 3.94Å; I28-I101 HydrophobicContact CG2-CG1 3.78Å
29D94.7Very high92.2Very high38 Ų3844.4 Ų44.420%0.20324%0.244CC..Hα-helixtrans-56.6-45.7173.6-68.2-24.3000111.1H25 K26 I27 C32 G33 R34 R97H25-D29 PolarHBondContact O-N 3.5Å; K26-D29 WeakPolarHBondContact O-CB 3.37Å; K26-D29 PolarHBondContact O-N 3.23Å; I27-D29 VanDerWaalsContact C-N 3.28Å; I27-D29 PolarHBondContact O-N 3.48Å; D29-C32 CarbonylContact O-C 3.53Å; D29-C32 PolarHBondContact O-N 3.14Å; D29-C32 VanDerWaalsContact O-N 3.15Å; D29-G33 PolarHBondContact O-N 2.99Å; D29-R34 HydrophobicContact CB-CB 4.04Å; D29-R34 WeakPolarHBondContact O-CA 3.46Å; D29-R34 VanDerWaalsContact O-CB 3.31Å; D29-R34 WeakPolarHBondContact O-CB 3.37Å; D29-R34 PolarHBondContact O-N 2.9Å; D29-R34 IonicContact OD1-CZ 3.26Å; D29-R34 IonicContact OD1-NE 2.77Å; D29-R34 PolarHBondContact OD1-NE 2.79Å; D29-R34 IonicContact OD1-NH2 2.68Å; D29-R34 PolarHBondContact OD1-NH2 3.42Å; D29-R97 IonicContact OD1-CZ 2.85Å; D29-R97 IonicContact OD1-NH1 2.77Å; D29-R97 IonicContact OD1-NH2 3.23Å; D29-R97 PolarHBondContact OD1-NH2 3.29Å
30G92.9Very high92.4Very high5 Ų549.5 Ų49.55%0.05227%0.266CS..Hα-helixtrans-54.7-49.8171.500000113.6K26 I27 I28 C32 G33 R34 Y36K26-G30 PolarHBondContact O-N 2.92Å; I27-G30 WeakPolarHBondContact O-CA 3.44Å; I27-G30 PolarHBondContact O-N 3.38Å; I27-G30 VanDerWaalsContact O-N 3.13Å; I28-G30 VanDerWaalsContact C-N 3.29Å; I28-G30 PolarHBondContact O-N 2.97Å; G30-C32 PolarHBondContact O-N 3.42Å; G30-G33 PolarHBondContact O-N 2.78Å; G30-R34 WeakPolarHBondContact CA-O 3.39Å; G30-Y36 VanDerWaalsContact C-CE2 3.44Å; G30-Y36 VanDerWaalsContact C-CZ 3.48Å; G30-Y36 VanDerWaalsContact CA-CE2 3.4Å; G30-Y36 WeakPolarHBondContact O-CE2 3.38Å
31I93.4Very high92.5Very high13 Ų1353.3 Ų53.37%0.06729%0.286CS..Hα-helixtrans-57.9-37.7176.4-62.8167.2000111.1I27 I28 G33 A59 F62 K63 I101I27-I31 HydrophobicContact CG2-CD1 4.41Å; I27-I31 WeakPolarHBondContact O-CG1 3.4Å; I27-I31 PolarHBondContact O-N 3.47Å; I28-I31 WeakPolarHBondContact O-CB 3.47Å; I28-I31 PolarHBondContact O-N 3.41Å; I28-I31 VanDerWaalsContact O-N 3.16Å; I31-G33 PolarHBondContact O-N 2.97Å; I31-A59 HydrophobicContact CD1-CB 4.19Å; I31-A59 HydrophobicContact CG1-CB 4.15Å; I31-F62 HydrophobicContact CD1-CB 3.76Å; I31-K63 HydrophobicContact CD1-CG 4.47Å; I31-K63 HydrophobicContact CG2-CG 4.07Å; I31-I101 HydrophobicContact CG2-CG2 4.33Å
32C91.6Very high92.6Very high18 Ų1851.1 Ų51.112%0.12227%0.272CS..THydrogen-bonded Turntrans-80.57.8179.8-63.40000113.9I28 D29 G30 E100 A104I28-C32 WeakPolarHBondContact O-CB 3.29Å; I28-C32 PolarHBondContact O-N 3.14Å; I28-C32 PolarHBondContact O-SG 3.03Å; D29-C32 CarbonylContact O-C 3.53Å; D29-C32 PolarHBondContact O-N 3.14Å; D29-C32 VanDerWaalsContact O-N 3.15Å; G30-C32 PolarHBondContact O-N 3.42Å; C32-E100 HydrophobicContact CB-CG 4.27Å; C32-E100 VanDerWaalsContact SG-CG 3.58Å; C32-A104 HydrophobicContact CB-CB 4.42Å
33G86.9Confident92.4Very high70 Ų7051.4 Ų51.472%0.72227%0.273SS*.THydrogen-bonded Turntrans86.914.6176.600000114.8D29 G30 I31D29-G33 PolarHBondContact O-N 2.99Å; G30-G33 PolarHBondContact O-N 2.78Å; I31-G33 PolarHBondContact O-N 2.97Å
34R91.4Very high92.3Very high116 Ų11656.8 Ų56.844%0.43831%0.306SS..SBendtrans-97.1-172.7170.5-62.4-174.8-75.3-96.8-4.5110.5D29 G30 E100D29-R34 HydrophobicContact CB-CB 4.04Å; D29-R34 WeakPolarHBondContact O-CA 3.46Å; D29-R34 VanDerWaalsContact O-CB 3.31Å; D29-R34 WeakPolarHBondContact O-CB 3.37Å; D29-R34 PolarHBondContact O-N 2.9Å; D29-R34 IonicContact OD1-CZ 3.26Å; D29-R34 IonicContact OD1-NE 2.77Å; D29-R34 PolarHBondContact OD1-NE 2.79Å; D29-R34 IonicContact OD1-NH2 2.68Å; D29-R34 PolarHBondContact OD1-NH2 3.42Å; G30-R34 WeakPolarHBondContact CA-O 3.39Å; R34-E100 IonicContact CZ-OE1 3.59Å; R34-E100 IonicContact NH1-OE1 2.7Å; R34-E100 PolarHBondContact NH1-OE1 2.99Å; R34-E100 IonicContact NH2-OE1 3.01Å; R34-E100 PolarHBondContact NH2-OE1 3.48Å; R34-E100 IonicContact NH2-OE2 3.14Å; R34-E100 PolarHBondContact NH2-OE2 3.38Å
35A90.3Very high92.1Very high81 Ų8158 Ų5867%0.66931%0.313SS*.PPolyproline II helixtrans-69.2132.9-179.200000112
36Y92.4Very high92Very high109 Ų10955.1 Ų55.143%0.42730%0.3SS..PPolyproline II helixtrans-70.1157.7168.2-83.9-93.3000111.2G30G30-Y36 VanDerWaalsContact C-CE2 3.44Å; G30-Y36 VanDerWaalsContact C-CZ 3.48Å; G30-Y36 VanDerWaalsContact CA-CE2 3.4Å; G30-Y36 WeakPolarHBondContact O-CE2 3.38Å
37P92.7Very high91.8Very high8 Ų859.6 Ų59.65%0.05232%0.322CS..PPolyproline II helixtrans-60.8147.5172.129.1-37.8000111.6L23 K26 I27 Y42 W51 L55L23-P37 HydrophobicContact CD1-CB 4.06Å; L23-P37 HydrophobicContact CD1-CG 3.94Å; K26-P37 HydrophobicContact CB-CB 3.89Å; K26-P37 HydrophobicContact CB-CG 4.26Å; K26-P37 HydrophobicContact CD-CB 3.89Å; I27-P37 HydrophobicContact CG1-CG 3.8Å; P37-Y42 HydrophobicContact CB-CE2 3.92Å; P37-W51 HydrophobicContact CB-CH2 3.89Å; P37-W51 HydrophobicContact CB-CZ2 3.92Å; P37-W51 HydrophobicContact CG-CH2 3.81Å; P37-W51 HydrophobicContact CG-CZ2 3.78Å; P37-L55 HydrophobicContact CG-CD2 3.41Å; P37-L55 VanDerWaalsContact CG-CD2 3.41Å
38V91.6Very high91.5Very high77 Ų7762.4 Ų62.447%0.46734%0.341SS..PPolyproline II helixtrans-93.8138.3179.4-65.90000110.3Q40 D41V38-Q40 PolarHBondContact O-N 3.22Å; V38-D41 HydrophobicContact CG2-CB 4.39Å; V38-D41 WeakPolarHBondContact CG2-OD2 3.36Å; V38-D41 PolarHBondContact O-N 2.98Å
39Y90.8Very high91.1Very high77 Ų7769.8 Ų69.830%0.30238%0.376SS..G310 helixtrans-56.2-34.4-179.3172.8-116.5000113.2D41 Y42 H43 W46 S48 W51Y39-D41 PolarHBondContact O-N 3.49Å; Y39-D41 VanDerWaalsContact O-N 3.14Å; Y39-Y42 CarbonylContact O-C 3.55Å; Y39-Y42 PolarHBondContact O-N 2.61Å; Y39-H43 HydrophobicContact CE1-CB 3.97Å; Y39-H43 HydrophobicContact CE2-CB 4.23Å; Y39-H43 PolarHBondContact O-N 2.76Å; Y39-W46 WeakPolarHBondContact CE2-O 3.38Å; Y39-W46 PolarHBondContact OH-O 3.39Å; Y39-S48 PolarHBondContact OH-N 3.27Å; Y39-W51 HydrophobicContact CD2-CB 3.68Å; Y39-W51 AromaticContact CD2-CD1 3.68Å; Y39-W51 HydrophobicContact CD2-CD2 4.14Å; Y39-W51 AromaticContact CD2-CG 3.54Å; Y39-W51 HydrophobicContact CD2-CG 3.54Å; Y39-W51 HydrophobicContact CE2-CB 3.98Å; Y39-W51 HydrophobicContact CE2-CG 4.32Å; Y39-W51 HydrophobicContact CG-CG 4.37Å
40Q90.7Very high90.8Very high157 Ų15769.6 Ų69.673%0.73437%0.374SS*.G310 helixtrans-57.1-30.6-178.8-67.9176.2-5.100113.2V38 Y42 H43V38-Q40 PolarHBondContact O-N 3.22Å; Q40-Y42 PolarHBondContact O-N 3.24Å; Q40-H43 PolarHBondContact O-ND1 3.47Å
41D90.1Very high90.8Very high80 Ų8070 Ų7043%0.42837%0.374SS..G310 helixtrans-73-17.2178.3-66.1-12.6000112.3K26 V38 Y39K26-D41 IonicContact NZ-OD2 2.7Å; K26-D41 PolarHBondContact NZ-OD2 2.88Å; V38-D41 HydrophobicContact CG2-CB 4.39Å; V38-D41 WeakPolarHBondContact CG2-OD2 3.36Å; V38-D41 PolarHBondContact O-N 2.98Å; Y39-D41 PolarHBondContact O-N 3.49Å; Y39-D41 VanDerWaalsContact O-N 3.14Å
42Y91.7Very high90.6Very high1 Ų174.8 Ų74.80%0.00440%0.397CS..THydrogen-bonded Turntrans-129.25.6-169.4-56.9-81.9000114.4L15 L19 L23 P37 Y39 Q40 T44 V45 W46 W51L15-Y42 HydrophobicContact CD1-CD1 4.26Å; L15-Y42 HydrophobicContact CD1-CE1 4.41Å; L19-Y42 HydrophobicContact CB-CE1 4.33Å; L23-Y42 WeakPolarHBondContact CA-OH 3.39Å; L23-Y42 HydrophobicContact CB-CE1 3.95Å; L23-Y42 HydrophobicContact CD1-CD1 4.45Å; L23-Y42 HydrophobicContact CD1-CD2 4.25Å; L23-Y42 HydrophobicContact CD1-CE1 3.98Å; L23-Y42 HydrophobicContact CD1-CE2 3.76Å; L23-Y42 HydrophobicContact CG-CE1 4.37Å; P37-Y42 HydrophobicContact CB-CE2 3.92Å; Y39-Y42 CarbonylContact O-C 3.55Å; Y39-Y42 PolarHBondContact O-N 2.61Å; Q40-Y42 PolarHBondContact O-N 3.24Å; Y42-T44 PolarHBondContact O-N 3.4Å; Y42-V45 PolarHBondContact O-N 3.18Å; Y42-W46 HydrophobicContact CD1-CZ3 4.21Å; Y42-W46 HydrophobicContact CG-CZ3 4.45Å; Y42-W46 PolarHBondContact O-N 2.89Å; Y42-W51 HydrophobicContact CD1-CZ3 4.49Å; Y42-W51 AromaticContact CD2-CH2 3.26Å; Y42-W51 HydrophobicContact CD2-CH2 3.26Å; Y42-W51 HydrophobicContact CD2-CZ2 4Å; Y42-W51 AromaticContact CD2-CZ3 3.7Å; Y42-W51 HydrophobicContact CD2-CZ3 3.7Å; Y42-W51 AromaticContact CE2-CH2 3.78Å; Y42-W51 HydrophobicContact CE2-CH2 3.78Å; Y42-W51 HydrophobicContact CE2-CZ3 4.45Å; Y42-W51 AromaticContact CG-CH2 3.82Å; Y42-W51 HydrophobicContact CG-CH2 3.82Å; Y42-W51 AromaticContact CG-CZ3 3.73Å; Y42-W51 HydrophobicContact CG-CZ3 3.73Å
43H89.9Confident90.5Very high108 Ų10878.1 Ų78.150%0.541%0.411SS..THydrogen-bonded Turntrans-60.1-17.6-177.874.4-79.8000114.6Y39 Q40 V45Y39-H43 HydrophobicContact CE1-CB 3.97Å; Y39-H43 HydrophobicContact CE2-CB 4.23Å; Y39-H43 PolarHBondContact O-N 2.76Å; Q40-H43 PolarHBondContact O-ND1 3.47Å; H43-V45 VanDerWaalsContact C-N 3.34Å
44T90.9Very high90.8Very high112 Ų11275 Ų7569%0.68738%0.377SS*.THydrogen-bonded Turntrans-81.9-14.3175.859.60000113Y42Y42-T44 PolarHBondContact O-N 3.4Å
45V90.6Very high90.8Very high29 Ų2970.8 Ų70.818%0.17636%0.364CS..THydrogen-bonded Turntrans-105.2-41.8-175.7-175.70000111.2K14 Y42 H43K14-V45 HydrophobicContact CB-CG1 3.96Å; K14-V45 WeakPolarHBondContact O-CG1 3.48Å; Y42-V45 PolarHBondContact O-N 3.18Å; H43-V45 VanDerWaalsContact C-N 3.34Å
46W92.2Very high90.8Very high4 Ų471.3 Ų71.32%0.01535%0.352CS..SBendtrans-131.8149.9-178-62-64.7000111.2R11 L15 L23 Y39 Y42 E50 W51 V54R11-W46 WeakPolarHBondContact O-CZ2 3.28Å; R11-W46 PolarHBondContact O-NE1 3.36Å; L15-W46 HydrophobicContact CB-CH2 3.84Å; L15-W46 HydrophobicContact CB-CZ2 4.07Å; L15-W46 HydrophobicContact CD1-CH2 3.61Å; L15-W46 HydrophobicContact CD1-CZ3 3.86Å; L15-W46 HydrophobicContact CD2-CH2 4.06Å; L15-W46 HydrophobicContact CG-CH2 4.04Å; L23-W46 HydrophobicContact CD2-CH2 3.64Å; L23-W46 HydrophobicContact CD2-CZ3 3.77Å; Y39-W46 WeakPolarHBondContact CE2-O 3.38Å; Y39-W46 PolarHBondContact OH-O 3.39Å; Y42-W46 HydrophobicContact CD1-CZ3 4.21Å; Y42-W46 HydrophobicContact CG-CZ3 4.45Å; Y42-W46 PolarHBondContact O-N 2.89Å; W46-E50 HydrophobicContact CB-CB 4.35Å; W46-E50 HydrophobicContact CB-CG 4.41Å; W46-E50 HydrophobicContact CG-CG 4.34Å; W46-W51 AromaticContact CE3-CE3 3.74Å; W46-W51 HydrophobicContact CE3-CE3 3.74Å; W46-W51 AromaticContact CE3-CZ3 3.89Å; W46-W51 HydrophobicContact CE3-CZ3 3.89Å; W46-W51 HydrophobicContact CZ3-CE3 4.14Å; W46-W51 AromaticContact CZ3-CZ3 3.83Å; W46-W51 HydrophobicContact CZ3-CZ3 3.83Å; W46-V54 HydrophobicContact CD2-CG2 4.06Å; W46-V54 HydrophobicContact CG-CG2 4.26Å; W46-V54 HydrophobicContact CH2-CG1 4.05Å; W46-V54 HydrophobicContact CZ2-CG1 4.18Å; W46-V54 HydrophobicContact CZ2-CG2 4.2Å; W46-V54 HydrophobicContact CZ3-CG1 4.3Å
47E91.8Very high90.8Very high149 Ų14966.8 Ų66.870%0.69634%0.335SS*.  trans-77.9164167.7-62-173.917800111E49 E50 W51E47-E49 VanDerWaalsContact C-N 3.31Å; E47-E49 PolarHBondContact O-N 2.98Å; E47-E50 PolarHBondContact O-N 2.97Å; E47-W51 WeakPolarHBondContact O-CB 3.38Å; E47-W51 PolarHBondContact O-N 3.31Å
48S88.3Confident90.8Very high58 Ų5866.5 Ų66.541%0.40633%0.334SS..Hα-helixtrans-60.5-36.4-172-174.90000113.9Y39Y39-S48 PolarHBondContact OH-N 3.27Å
49E87.9Confident90.9Very high155 Ų15563.3 Ų63.372%0.72432%0.315SS*.Hα-helixtrans-71.5-45177.7-67.5-176.9177.700110.7E47 W51 M52 H53E47-E49 VanDerWaalsContact C-N 3.31Å; E47-E49 PolarHBondContact O-N 2.98Å; E49-W51 VanDerWaalsContact C-N 3.29Å; E49-W51 PolarHBondContact O-N 2.99Å; E49-M52 PolarHBondContact O-N 3.46Å; E49-H53 PolarHBondContact O-CD2 2.77Å; E49-H53 VanDerWaalsContact O-CD2 3.26Å
50E89.7Confident91Very high35 Ų3564.2 Ų64.216%0.16432%0.321CS..Hα-helixtrans-62.3-37.8177.3-171.2174.3-168.900111.9R11 K14 W46 E47 M52 H53 V54R11-E50 IonicContact NE-OE1 3.92Å; K14-E50 IonicContact NZ-OE1 2.7Å; K14-E50 PolarHBondContact NZ-OE1 3.01Å; K14-E50 IonicContact NZ-OE2 2.91Å; K14-E50 PolarHBondContact NZ-OE2 2.86Å; W46-E50 HydrophobicContact CB-CB 4.35Å; W46-E50 HydrophobicContact CB-CG 4.41Å; W46-E50 HydrophobicContact CG-CG 4.34Å; E47-E50 PolarHBondContact O-N 2.97Å; E50-M52 VanDerWaalsContact C-N 3.35Å; E50-M52 PolarHBondContact O-N 3.23Å; E50-H53 PolarHBondContact O-N 3.26Å; E50-V54 HydrophobicContact CG-CG2 4.49Å; E50-V54 WeakPolarHBondContact O-CG2 3.48Å; E50-V54 PolarHBondContact O-N 2.71Å
51W91.5Very high91.2Very high13 Ų1357 Ų575%0.04929%0.287CS..Hα-helixtrans-58.9-41.5177.7172-111.6000113.3L23 P37 Y39 Y42 W46 E47 E49 H53 V54 L55L23-W51 HydrophobicContact CD1-CH2 3.42Å; L23-W51 VanDerWaalsContact CD1-CH2 3.42Å; L23-W51 HydrophobicContact CD1-CZ3 3.71Å; L23-W51 HydrophobicContact CD2-CZ3 4.48Å; P37-W51 HydrophobicContact CB-CH2 3.89Å; P37-W51 HydrophobicContact CB-CZ2 3.92Å; P37-W51 HydrophobicContact CG-CH2 3.81Å; P37-W51 HydrophobicContact CG-CZ2 3.78Å; Y39-W51 HydrophobicContact CD2-CB 3.68Å; Y39-W51 AromaticContact CD2-CD1 3.68Å; Y39-W51 HydrophobicContact CD2-CD2 4.14Å; Y39-W51 AromaticContact CD2-CG 3.54Å; Y39-W51 HydrophobicContact CD2-CG 3.54Å; Y39-W51 HydrophobicContact CE2-CB 3.98Å; Y39-W51 HydrophobicContact CE2-CG 4.32Å; Y39-W51 HydrophobicContact CG-CG 4.37Å; Y42-W51 HydrophobicContact CD1-CZ3 4.49Å; Y42-W51 AromaticContact CD2-CH2 3.26Å; Y42-W51 HydrophobicContact CD2-CH2 3.26Å; Y42-W51 HydrophobicContact CD2-CZ2 4Å; Y42-W51 AromaticContact CD2-CZ3 3.7Å; Y42-W51 HydrophobicContact CD2-CZ3 3.7Å; Y42-W51 AromaticContact CE2-CH2 3.78Å; Y42-W51 HydrophobicContact CE2-CH2 3.78Å; Y42-W51 HydrophobicContact CE2-CZ3 4.45Å; Y42-W51 AromaticContact CG-CH2 3.82Å; Y42-W51 HydrophobicContact CG-CH2 3.82Å; Y42-W51 AromaticContact CG-CZ3 3.73Å; Y42-W51 HydrophobicContact CG-CZ3 3.73Å; W46-W51 AromaticContact CE3-CE3 3.74Å; W46-W51 HydrophobicContact CE3-CE3 3.74Å; W46-W51 AromaticContact CE3-CZ3 3.89Å; W46-W51 HydrophobicContact CE3-CZ3 3.89Å; W46-W51 HydrophobicContact CZ3-CE3 4.14Å; W46-W51 AromaticContact CZ3-CZ3 3.83Å; W46-W51 HydrophobicContact CZ3-CZ3 3.83Å; E47-W51 WeakPolarHBondContact O-CB 3.38Å; E47-W51 PolarHBondContact O-N 3.31Å; E49-W51 VanDerWaalsContact C-N 3.29Å; E49-W51 PolarHBondContact O-N 2.99Å; W51-H53 VanDerWaalsContact C-N 3.3Å; W51-H53 PolarHBondContact O-N 2.69Å; W51-V54 PolarHBondContact O-N 3.36Å; W51-L55 HydrophobicContact CD2-CD1 4.34Å; W51-L55 HydrophobicContact CD2-CG 4.17Å; W51-L55 HydrophobicContact CH2-CD2 3.76Å; W51-L55 HydrophobicContact CH2-CG 4.37Å; W51-L55 HydrophobicContact CZ2-CD1 3.84Å; W51-L55 HydrophobicContact CZ2-CD2 3.62Å; W51-L55 HydrophobicContact CZ2-CG 3.92Å; W51-L55 HydrophobicContact CZ3-CD2 4.27Å; W51-L55 WeakPolarHBondContact O-CG 3.48Å; W51-L55 PolarHBondContact O-N 2.94Å
52M89.5Confident91.4Very high114 Ų11453.3 Ų53.356%0.56227%0.267SS*.Hα-helixtrans-61.7-42.5177.7-69.2-170.3-126.900111.1E49 E50 L55 E56E49-M52 PolarHBondContact O-N 3.46Å; E50-M52 VanDerWaalsContact C-N 3.35Å; E50-M52 PolarHBondContact O-N 3.23Å; M52-L55 PolarHBondContact O-N 3.36Å; M52-E56 WeakPolarHBondContact O-CB 3.15Å; M52-E56 PolarHBondContact O-N 3.4Å
53H90.4Very high91.5Very high88 Ų8856 Ų5641%0.40728%0.279SS..Hα-helixtrans-64.5-41.8175.8-65.6-56000112E49 E50 W51 L55 E56 D57E49-H53 PolarHBondContact O-CD2 2.77Å; E49-H53 VanDerWaalsContact O-CD2 3.26Å; E50-H53 PolarHBondContact O-N 3.26Å; W51-H53 VanDerWaalsContact C-N 3.3Å; W51-H53 PolarHBondContact O-N 2.69Å; H53-L55 VanDerWaalsContact C-N 3.34Å; H53-L55 PolarHBondContact O-N 2.91Å; H53-E56 PolarHBondContact O-N 3.08Å; H53-D57 WeakPolarHBondContact O-CB 3.37Å; H53-D57 PolarHBondContact O-N 2.68Å
54V91.7Very high91.6Very high3 Ų352.6 Ų52.62%0.01827%0.269CS..Hα-helixtrans-56.6-47.8175.4171.30000111.3R11 W46 E50 W51 I58R11-V54 HydrophobicContact CB-CG2 3.72Å; R11-V54 HydrophobicContact CG-CG2 4.34Å; W46-V54 HydrophobicContact CD2-CG2 4.06Å; W46-V54 HydrophobicContact CG-CG2 4.26Å; W46-V54 HydrophobicContact CH2-CG1 4.05Å; W46-V54 HydrophobicContact CZ2-CG1 4.18Å; W46-V54 HydrophobicContact CZ2-CG2 4.2Å; W46-V54 HydrophobicContact CZ3-CG1 4.3Å; E50-V54 HydrophobicContact CG-CG2 4.49Å; E50-V54 WeakPolarHBondContact O-CG2 3.48Å; E50-V54 PolarHBondContact O-N 2.71Å; W51-V54 PolarHBondContact O-N 3.36Å; V54-I58 HydrophobicContact CG1-CD1 3.58Å; V54-I58 WeakPolarHBondContact O-CB 3.31Å; V54-I58 WeakPolarHBondContact O-CD1 3.28Å; V54-I58 WeakPolarHBondContact O-CG1 3.44Å; V54-I58 PolarHBondContact O-N 2.7Å; V54-I58 VanDerWaalsContact O-N 3.11Å
55L92Very high91.7Very high28 Ų2847.4 Ų47.415%0.14724%0.237CC..Hα-helixtrans-63-47.2178.7-67.8-177.7000112.3I27 P37 W51 M52 H53 A59I27-L55 HydrophobicContact CD1-CD2 3.78Å; I27-L55 HydrophobicContact CG1-CD2 3.73Å; P37-L55 HydrophobicContact CG-CD2 3.41Å; P37-L55 VanDerWaalsContact CG-CD2 3.41Å; W51-L55 HydrophobicContact CD2-CD1 4.34Å; W51-L55 HydrophobicContact CD2-CG 4.17Å; W51-L55 HydrophobicContact CH2-CD2 3.76Å; W51-L55 HydrophobicContact CH2-CG 4.37Å; W51-L55 HydrophobicContact CZ2-CD1 3.84Å; W51-L55 HydrophobicContact CZ2-CD2 3.62Å; W51-L55 HydrophobicContact CZ2-CG 3.92Å; W51-L55 HydrophobicContact CZ3-CD2 4.27Å; W51-L55 WeakPolarHBondContact O-CG 3.48Å; W51-L55 PolarHBondContact O-N 2.94Å; M52-L55 PolarHBondContact O-N 3.36Å; H53-L55 VanDerWaalsContact C-N 3.34Å; H53-L55 PolarHBondContact O-N 2.91Å; L55-A59 WeakPolarHBondContact O-CB 3.07Å; L55-A59 PolarHBondContact O-N 3.44Å
56E90.9Very high91.8Very high93 Ų9346.4 Ų46.444%0.43523%0.231SC..Hα-helixtrans-63.6-46.4-177.8-171.8179.8-172.200111.2M52 H53 A59 K60M52-E56 WeakPolarHBondContact O-CB 3.15Å; M52-E56 PolarHBondContact O-N 3.4Å; H53-E56 PolarHBondContact O-N 3.08Å; E56-A59 PolarHBondContact O-N 3.37Å; E56-K60 HydrophobicContact CG-CD 4.02Å; E56-K60 VanDerWaalsContact CG-CE 3.46Å; E56-K60 HydrophobicContact CG-CG 4.47Å; E56-K60 VanDerWaalsContact O-CB 3.29Å; E56-K60 WeakPolarHBondContact O-CB 3.31Å; E56-K60 VanDerWaalsContact O-CG 3.22Å; E56-K60 WeakPolarHBondContact O-CG 3.31Å; E56-K60 PolarHBondContact O-N 3.35Å; E56-K60 WeakPolarHBondContact OE1-CE 3.49Å; E56-K60 IonicContact OE1-NZ 2.64Å; E56-K60 PolarHBondContact OE1-NZ 3.37Å; E56-K60 IonicContact OE2-NZ 3.81Å
57D92.1Very high91.6Very high13 Ų1348.8 Ų48.87%0.0726%0.257CS..Hα-helixtrans-66.8-44.7-176.8-71.7-21.7000112.2L8 R11 H53 K60 F61L8-D57 HydrophobicContact CB-CB 3.97Å; L8-D57 HydrophobicContact CD2-CB 4.4Å; L8-D57 VanDerWaalsContact CD2-OD1 3.22Å; L8-D57 WeakPolarHBondContact CD2-OD1 3.43Å; L8-D57 WeakPolarHBondContact O-CB 3.38Å; L8-D57 VanDerWaalsContact O-OD2 3.09Å; R11-D57 IonicContact NH1-OD2 2.96Å; R11-D57 PolarHBondContact NH1-OD2 3.34Å; H53-D57 WeakPolarHBondContact O-CB 3.37Å; H53-D57 PolarHBondContact O-N 2.68Å; D57-K60 PolarHBondContact O-N 3.42Å; D57-F61 WeakPolarHBondContact O-CB 3.39Å; D57-F61 PolarHBondContact O-N 3.16Å
58I93.3Very high91.5Very high3 Ų349.4 Ų49.42%0.01526%0.258CS..Hα-helixtrans-65.3-43.7176.8-64.9167.7000110.3L9 L12 L23 L24 I27 V54 F61 F62L9-I58 HydrophobicContact CD2-CB 4.4Å; L9-I58 HydrophobicContact CD2-CG1 3.81Å; L12-I58 HydrophobicContact CD1-CD1 4.27Å; L12-I58 HydrophobicContact CD1-CG1 4.24Å; L12-I58 HydrophobicContact CD2-CD1 3.58Å; L12-I58 HydrophobicContact CD2-CG1 4.41Å; L12-I58 HydrophobicContact CG-CD1 4.04Å; L12-I58 HydrophobicContact CG-CG1 4.37Å; L23-I58 HydrophobicContact CD2-CD1 4.44Å; L24-I58 HydrophobicContact CD2-CD1 4.49Å; L24-I58 HydrophobicContact CD2-CG2 3.88Å; I27-I58 HydrophobicContact CB-CG2 4.32Å; I27-I58 HydrophobicContact CD1-CB 3.89Å; I27-I58 HydrophobicContact CD1-CD1 3.53Å; I27-I58 HydrophobicContact CD1-CG1 4.32Å; I27-I58 HydrophobicContact CD1-CG2 3.72Å; I27-I58 HydrophobicContact CG2-CB 4.36Å; I27-I58 HydrophobicContact CG2-CG2 3.87Å; V54-I58 HydrophobicContact CG1-CD1 3.58Å; V54-I58 WeakPolarHBondContact O-CB 3.31Å; V54-I58 WeakPolarHBondContact O-CD1 3.28Å; V54-I58 WeakPolarHBondContact O-CG1 3.44Å; V54-I58 PolarHBondContact O-N 2.7Å; V54-I58 VanDerWaalsContact O-N 3.11Å; I58-F61 PolarHBondContact O-N 3.01Å; I58-F62 HydrophobicContact CG2-CD2 3.69Å; I58-F62 HydrophobicContact CG2-CE2 3.61Å; I58-F62 WeakPolarHBondContact O-CD2 3.46Å; I58-F62 PolarHBondContact O-N 2.86Å
59A93.7Very high91.6Very high10 Ų1051.6 Ų51.68%0.08327%0.265CS..Hα-helixtrans-62.9-46.1178.200000111.5I27 I31 L55 E56 F61 F62 K63I27-A59 HydrophobicContact CG2-CB 4.15Å; I31-A59 HydrophobicContact CD1-CB 4.19Å; I31-A59 HydrophobicContact CG1-CB 4.15Å; L55-A59 WeakPolarHBondContact O-CB 3.07Å; L55-A59 PolarHBondContact O-N 3.44Å; E56-A59 PolarHBondContact O-N 3.37Å; A59-F61 VanDerWaalsContact C-N 3.3Å; A59-F61 PolarHBondContact O-N 2.96Å; A59-F62 PolarHBondContact O-N 3.36Å; A59-K63 WeakPolarHBondContact O-CB 3.42Å; A59-K63 VanDerWaalsContact O-CG 3.3Å; A59-K63 WeakPolarHBondContact O-CG 3.37Å; A59-K63 PolarHBondContact O-N 3.18Å
60K92.6Very high91.7Very high96 Ų9645.5 Ų45.542%0.41724%0.237SC..Hα-helixtrans-56.8-44.1174.6-79.5173.4-178.8166.10111.4E56 D57 K63 A64E56-K60 HydrophobicContact CG-CD 4.02Å; E56-K60 VanDerWaalsContact CG-CE 3.46Å; E56-K60 HydrophobicContact CG-CG 4.47Å; E56-K60 VanDerWaalsContact O-CB 3.29Å; E56-K60 WeakPolarHBondContact O-CB 3.31Å; E56-K60 VanDerWaalsContact O-CG 3.22Å; E56-K60 WeakPolarHBondContact O-CG 3.31Å; E56-K60 PolarHBondContact O-N 3.35Å; E56-K60 WeakPolarHBondContact OE1-CE 3.49Å; E56-K60 IonicContact OE1-NZ 2.64Å; E56-K60 PolarHBondContact OE1-NZ 3.37Å; E56-K60 IonicContact OE2-NZ 3.81Å; D57-K60 PolarHBondContact O-N 3.42Å; K60-K63 PolarHBondContact O-N 3Å; K60-A64 VanDerWaalsContact O-CB 3.24Å; K60-A64 WeakPolarHBondContact O-CB 3.43Å; K60-A64 PolarHBondContact O-N 3.27Å
61F93.9Very high91.8Very high6 Ų646.2 Ų46.23%0.02625%0.246CC..Hα-helixtrans-59.8-54.3177.8173.5-96.3000112.2L9 D57 I58 A59 K63 A64 V65 I75 Q78 L79 I90L9-F61 HydrophobicContact CD1-CB 4.21Å; L9-F61 HydrophobicContact CD1-CD1 3.97Å; L9-F61 HydrophobicContact CD1-CD2 3.59Å; L9-F61 HydrophobicContact CD1-CE1 4.21Å; L9-F61 HydrophobicContact CD1-CE2 3.84Å; L9-F61 HydrophobicContact CD1-CG 3.65Å; L9-F61 HydrophobicContact CD1-CZ 4.13Å; L9-F61 HydrophobicContact CD2-CB 4.02Å; L9-F61 HydrophobicContact CD2-CG 4.32Å; L9-F61 HydrophobicContact CG-CB 4.4Å; L9-F61 HydrophobicContact CG-CD2 4.41Å; L9-F61 HydrophobicContact CG-CG 4.34Å; D57-F61 WeakPolarHBondContact O-CB 3.39Å; D57-F61 PolarHBondContact O-N 3.16Å; I58-F61 PolarHBondContact O-N 3.01Å; A59-F61 VanDerWaalsContact C-N 3.3Å; A59-F61 PolarHBondContact O-N 2.96Å; F61-K63 VanDerWaalsContact C-N 3.32Å; F61-K63 PolarHBondContact O-N 3.3Å; F61-A64 PolarHBondContact O-N 3.11Å; F61-A64 VanDerWaalsContact O-N 3.13Å; F61-V65 HydrophobicContact CD1-CG2 4.25Å; F61-V65 HydrophobicContact CD2-CG2 4.02Å; F61-V65 HydrophobicContact CE1-CG2 3.86Å; F61-V65 HydrophobicContact CE2-CG2 3.63Å; F61-V65 HydrophobicContact CG-CG2 4.33Å; F61-V65 HydrophobicContact CZ-CG2 3.56Å; F61-V65 WeakPolarHBondContact O-CG2 3.48Å; F61-V65 PolarHBondContact O-N 3.34Å; F61-I75 HydrophobicContact CZ-CG2 4.11Å; F61-Q78 HydrophobicContact CE2-CB 4.12Å; F61-L79 HydrophobicContact CE1-CD2 4.32Å; F61-L79 HydrophobicContact CE2-CD2 3.98Å; F61-L79 HydrophobicContact CZ-CD1 4.42Å; F61-L79 HydrophobicContact CZ-CD2 3.64Å; F61-L79 HydrophobicContact CZ-CG 4.16Å; F61-I90 HydrophobicContact CD1-CG2 4.46Å; F61-I90 HydrophobicContact CE1-CG2 3.51Å; F61-I90 HydrophobicContact CZ-CG2 4.08Å
62F94.8Very high91.8Very high1 Ų149 Ų490%0.00426%0.262CS..Hα-helixtrans-60.8-41.9-179.9-83.4-72.1000112.2L24 I28 I31 I58 A59 A64 V66 I90 C93 V94 I101L24-F62 HydrophobicContact CD2-CE2 3.92Å; L24-F62 HydrophobicContact CD2-CZ 4.28Å; I28-F62 HydrophobicContact CD1-CD1 4.19Å; I28-F62 HydrophobicContact CD1-CE1 3.76Å; I28-F62 HydrophobicContact CD1-CE2 4.21Å; I28-F62 HydrophobicContact CD1-CZ 3.79Å; I28-F62 HydrophobicContact CG1-CD1 4.25Å; I28-F62 HydrophobicContact CG1-CD2 4.14Å; I28-F62 HydrophobicContact CG1-CE1 4.25Å; I28-F62 HydrophobicContact CG1-CE2 4.14Å; I28-F62 HydrophobicContact CG1-CG 4.21Å; I28-F62 HydrophobicContact CG1-CZ 4.21Å; I31-F62 HydrophobicContact CD1-CB 3.76Å; I58-F62 HydrophobicContact CG2-CD2 3.69Å; I58-F62 HydrophobicContact CG2-CE2 3.61Å; I58-F62 WeakPolarHBondContact O-CD2 3.46Å; I58-F62 PolarHBondContact O-N 2.86Å; A59-F62 PolarHBondContact O-N 3.36Å; F62-A64 VanDerWaalsContact C-N 3.35Å; F62-A64 PolarHBondContact O-N 3.13Å; F62-V66 WeakPolarHBondContact O-CB 3.28Å; F62-V66 WeakPolarHBondContact O-CG2 3.42Å; F62-V66 PolarHBondContact O-N 3.41Å; F62-V66 VanDerWaalsContact O-N 3.1Å; F62-I90 HydrophobicContact CZ-CG2 4.39Å; F62-C93 HydrophobicContact CE1-CB 3.98Å; F62-C93 HydrophobicContact CZ-CB 3.9Å; F62-V94 HydrophobicContact CD1-CG2 3.79Å; F62-V94 HydrophobicContact CE1-CB 4.46Å; F62-V94 HydrophobicContact CE1-CG2 3.48Å; F62-V94 VanDerWaalsContact CE1-CG2 3.48Å; F62-I101 HydrophobicContact CB-CD1 4.35Å; F62-I101 HydrophobicContact CD1-CD1 3.98Å; F62-I101 HydrophobicContact CG-CD1 4.46Å
63K93.4Very high91.8Very high58 Ų5850.2 Ų50.225%0.25227%0.266SS..Hα-helixtrans-60.8-43.5175.2-72.4-170.5165.4-162.40111.5I31 A59 K60 F61 G67 L105 E108I31-K63 HydrophobicContact CD1-CG 4.47Å; I31-K63 HydrophobicContact CG2-CG 4.07Å; A59-K63 WeakPolarHBondContact O-CB 3.42Å; A59-K63 VanDerWaalsContact O-CG 3.3Å; A59-K63 WeakPolarHBondContact O-CG 3.37Å; A59-K63 PolarHBondContact O-N 3.18Å; K60-K63 PolarHBondContact O-N 3Å; F61-K63 VanDerWaalsContact C-N 3.32Å; F61-K63 PolarHBondContact O-N 3.3Å; K63-G67 WeakPolarHBondContact O-CA 3.47Å; K63-G67 PolarHBondContact O-N 3.02Å; K63-L105 HydrophobicContact CB-CD2 4.13Å; K63-L105 HydrophobicContact CD-CD2 3.97Å; K63-L105 HydrophobicContact CG-CD2 3.79Å; K63-E108 IonicContact NZ-OE1 3.99Å; K63-E108 PolarHBondContact NZ-OE1 3.4Å; K63-E108 IonicContact NZ-OE2 3.36Å; K63-E108 PolarHBondContact NZ-OE2 3.29Å
64A92.3Very high91.8Very high36 Ų3650.6 Ų50.630%0.29827%0.268SS..Hα-helixtrans-68.2-46.5-179.700000112.6K60 F61 F62 K68K60-A64 VanDerWaalsContact O-CB 3.24Å; K60-A64 WeakPolarHBondContact O-CB 3.43Å; K60-A64 PolarHBondContact O-N 3.27Å; F61-A64 PolarHBondContact O-N 3.11Å; F61-A64 VanDerWaalsContact O-N 3.13Å; F62-A64 VanDerWaalsContact C-N 3.35Å; F62-A64 PolarHBondContact O-N 3.13Å; A64-K68 VanDerWaalsContact O-CB 3.28Å; A64-K68 WeakPolarHBondContact O-CB 3.41Å; A64-K68 WeakPolarHBondContact O-CG 3.35Å; A64-K68 PolarHBondContact O-N 2.79Å
65V93Very high91.8Very high3 Ų350.6 Ų50.62%0.01827%0.268CS..Hα-helixtrans-59.8-48.8179.7167.50000111.1F61 N69 L70 I75 V94F61-V65 HydrophobicContact CD1-CG2 4.25Å; F61-V65 HydrophobicContact CD2-CG2 4.02Å; F61-V65 HydrophobicContact CE1-CG2 3.86Å; F61-V65 HydrophobicContact CE2-CG2 3.63Å; F61-V65 HydrophobicContact CG-CG2 4.33Å; F61-V65 HydrophobicContact CZ-CG2 3.56Å; F61-V65 WeakPolarHBondContact O-CG2 3.48Å; F61-V65 PolarHBondContact O-N 3.34Å; V65-N69 PolarHBondContact O-N 2.89Å; V65-L70 HydrophobicContact CG2-CD1 4.19Å; V65-L70 PolarHBondContact O-N 3.2Å; V65-L70 VanDerWaalsContact O-N 3.1Å; V65-I75 HydrophobicContact CG1-CD1 3.41Å; V65-I75 VanDerWaalsContact CG1-CD1 3.41Å; V65-I75 HydrophobicContact CG1-CG1 3.61Å; V65-I75 HydrophobicContact CG2-CG1 4.21Å; V65-V94 HydrophobicContact CG1-CG1 3.84Å; V65-V94 HydrophobicContact CG1-CG2 4.26Å
66V93.1Very high91.6Very high8 Ų854 Ų545%0.04828%0.281CS..Hα-helixtrans-76-41.8-178.2177.70000111.4F62 K68 N69 K98 I101 K102 L105F62-V66 WeakPolarHBondContact O-CB 3.28Å; F62-V66 WeakPolarHBondContact O-CG2 3.42Å; F62-V66 PolarHBondContact O-N 3.41Å; F62-V66 VanDerWaalsContact O-N 3.1Å; V66-K68 PolarHBondContact O-N 3.3Å; V66-N69 PolarHBondContact O-N 3.48Å; V66-K98 HydrophobicContact CG1-CG 4.18Å; V66-K98 HydrophobicContact CG2-CG 4.33Å; V66-I101 HydrophobicContact CB-CB 4.3Å; V66-I101 HydrophobicContact CB-CG2 3.72Å; V66-I101 HydrophobicContact CG1-CB 4.07Å; V66-I101 HydrophobicContact CG1-CG2 3.85Å; V66-I101 HydrophobicContact CG2-CB 4.06Å; V66-I101 HydrophobicContact CG2-CD1 4.04Å; V66-I101 HydrophobicContact CG2-CG2 3.82Å; V66-K102 HydrophobicContact CG1-CB 3.88Å; V66-L105 HydrophobicContact CB-CD1 4.5Å; V66-L105 HydrophobicContact CG1-CD1 4.48Å
67G88.4Confident91.4Very high55 Ų5555.6 Ų55.657%0.56729%0.289SS*.Hα-helixtrans-65.7-36.8-178.600000113.5K63K63-G67 WeakPolarHBondContact O-CA 3.47Å; K63-G67 PolarHBondContact O-N 3.02Å
68K89.9Confident91.2Very high161 Ų16159.7 Ų59.770%0.731%0.308SS*.THydrogen-bonded Turntrans-88-3.6175.2-61.9-178.4179.7-1790113.6A64 V66 L70A64-K68 VanDerWaalsContact O-CB 3.28Å; A64-K68 WeakPolarHBondContact O-CB 3.41Å; A64-K68 WeakPolarHBondContact O-CG 3.35Å; A64-K68 PolarHBondContact O-N 2.79Å; V66-K68 PolarHBondContact O-N 3.3Å; K68-L70 VanDerWaalsContact C-N 3.32Å; K68-L70 HydrophobicContact CB-CD2 3.78Å; K68-L70 HydrophobicContact CB-CG 4.1Å; K68-L70 HydrophobicContact CD-CD2 4.5Å; K68-L70 PolarHBondContact O-N 3.25Å
69N88.6Confident91Very high105 Ų10559.7 Ų59.756%0.56131%0.308SS*.THydrogen-bonded Turntrans51.347.7-175.9-166.642.3000113.1V65 V66 K98V65-N69 PolarHBondContact O-N 2.89Å; V66-N69 PolarHBondContact O-N 3.48Å; N69-K98 WeakPolarHBondContact OD1-CE 3.39Å; N69-K98 PolarHBondContact OD1-NZ 3.45Å
70L91Very high90.7Very high27 Ų2763 Ų6314%0.14132%0.324CS..  trans-61.6148.5-178.7-59.5-174.2000111.8V65 K68 E74 I75V65-L70 HydrophobicContact CG2-CD1 4.19Å; V65-L70 PolarHBondContact O-N 3.2Å; V65-L70 VanDerWaalsContact O-N 3.1Å; K68-L70 VanDerWaalsContact C-N 3.32Å; K68-L70 HydrophobicContact CB-CD2 3.78Å; K68-L70 HydrophobicContact CB-CG 4.1Å; K68-L70 HydrophobicContact CD-CD2 4.5Å; K68-L70 PolarHBondContact O-N 3.25Å; L70-E74 HydrophobicContact CB-CB 4.28Å; L70-I75 HydrophobicContact CB-CD1 4.46Å; L70-I75 HydrophobicContact CB-CG1 3.95Å
71S92.1Very high90.4Very high49 Ų4963.5 Ų63.534%0.34333%0.328SS..  trans-72.7159.8173.3600000112.2E73 E74 I75S71-E73 VanDerWaalsContact C-N 3.25Å; S71-E73 PolarHBondContact O-N 2.72Å; S71-E74 WeakPolarHBondContact CB-OE2 3.43Å; S71-E74 PolarHBondContact N-OE2 3.18Å; S71-E74 PolarHBondContact O-N 3.25Å; S71-E74 VanDerWaalsContact OG-CD 3.28Å; S71-E74 VanDerWaalsContact OG-CG 3.23Å; S71-E74 WeakPolarHBondContact OG-CG 3.35Å; S71-E74 PolarHBondContact OG-N 2.92Å; S71-E74 PolarHBondContact OG-OE2 3.43Å; S71-I75 WeakPolarHBondContact O-CD1 3.43Å; S71-I75 WeakPolarHBondContact O-CG1 3.32Å; S71-I75 PolarHBondContact O-N 3.15Å
72D90.8Very high90.1Very high71 Ų7163.7 Ų63.738%0.3833%0.329SS..Hα-helixtrans-57.7-39.8178.3-81.52.5000111.2I75 F76 K95D72-I75 PolarHBondContact O-N 3.37Å; D72-F76 WeakPolarHBondContact O-CB 3.34Å; D72-F76 PolarHBondContact O-N 3.16Å; D72-K95 WeakPolarHBondContact OD1-CE 3.33Å; D72-K95 IonicContact OD1-NZ 3.61Å; D72-K95 WeakPolarHBondContact OD2-CE 3.05Å; D72-K95 IonicContact OD2-NZ 2.7Å; D72-K95 PolarHBondContact OD2-NZ 3.25Å
73E90.4Very high89.8Confident140 Ų14066.4 Ų66.465%0.65434%0.344SS*.Hα-helixtrans-62.9-46.4176.2-74.869.1-15700112.5S71 I75 F76 Q77S71-E73 VanDerWaalsContact C-N 3.25Å; S71-E73 PolarHBondContact O-N 2.72Å; E73-I75 VanDerWaalsContact C-N 3.32Å; E73-I75 PolarHBondContact O-N 2.82Å; E73-F76 PolarHBondContact O-N 3.26Å; E73-Q77 WeakPolarHBondContact O-CG 3.27Å; E73-Q77 PolarHBondContact O-N 3.49Å
74E89.9Confident89.6Confident97 Ų9767.4 Ų67.445%0.45336%0.358SS..Hα-helixtrans-63.6-38.9178.2-73.1167.713100111.9L70 S71 Q77 Q78L70-E74 HydrophobicContact CB-CB 4.28Å; S71-E74 WeakPolarHBondContact CB-OE2 3.43Å; S71-E74 PolarHBondContact N-OE2 3.18Å; S71-E74 PolarHBondContact O-N 3.25Å; S71-E74 VanDerWaalsContact OG-CD 3.28Å; S71-E74 VanDerWaalsContact OG-CG 3.23Å; S71-E74 WeakPolarHBondContact OG-CG 3.35Å; S71-E74 PolarHBondContact OG-N 2.92Å; S71-E74 PolarHBondContact OG-OE2 3.43Å; E74-Q77 PolarHBondContact O-N 3.17Å; E74-Q78 PolarHBondContact O-N 3.42Å
75I90.9Very high89.5Confident3 Ų369.3 Ų69.32%0.01536%0.36CS..Hα-helixtrans-62.8-47.8175.2-64.3164.2000109.2F61 V65 L70 S71 D72 E73 Q77 Q78 L79 M91 V94F61-I75 HydrophobicContact CZ-CG2 4.11Å; V65-I75 HydrophobicContact CG1-CD1 3.41Å; V65-I75 VanDerWaalsContact CG1-CD1 3.41Å; V65-I75 HydrophobicContact CG1-CG1 3.61Å; V65-I75 HydrophobicContact CG2-CG1 4.21Å; L70-I75 HydrophobicContact CB-CD1 4.46Å; L70-I75 HydrophobicContact CB-CG1 3.95Å; S71-I75 WeakPolarHBondContact O-CD1 3.43Å; S71-I75 WeakPolarHBondContact O-CG1 3.32Å; S71-I75 PolarHBondContact O-N 3.15Å; D72-I75 PolarHBondContact O-N 3.37Å; E73-I75 VanDerWaalsContact C-N 3.32Å; E73-I75 PolarHBondContact O-N 2.82Å; I75-Q77 VanDerWaalsContact C-N 3.3Å; I75-Q77 PolarHBondContact O-N 3.01Å; I75-Q78 PolarHBondContact O-N 2.9Å; I75-Q78 VanDerWaalsContact O-N 3.09Å; I75-L79 HydrophobicContact CG2-CD1 3.99Å; I75-L79 WeakPolarHBondContact O-CG 3.45Å; I75-L79 PolarHBondContact O-N 3.39Å; I75-M91 HydrophobicContact CB-SD 4.21Å; I75-M91 HydrophobicContact CD1-CE 3.92Å; I75-M91 HydrophobicContact CD1-SD 4.27Å; I75-M91 HydrophobicContact CG2-CE 4.47Å; I75-M91 HydrophobicContact CG2-SD 3.7Å; I75-V94 HydrophobicContact CD1-CG1 4.25Å
76F88.1Confident89.3Confident98 Ų9869.5 Ų69.543%0.4336%0.36SS..Hα-helixtrans-59.8-41.3-180-158.6-91.2000112D72 E73 Q78 L79 N80 Q87D72-F76 WeakPolarHBondContact O-CB 3.34Å; D72-F76 PolarHBondContact O-N 3.16Å; E73-F76 PolarHBondContact O-N 3.26Å; F76-Q78 VanDerWaalsContact C-N 3.29Å; F76-Q78 PolarHBondContact O-N 3.46Å; F76-L79 CarbonylContact O-C 3.5Å; F76-L79 WeakPolarHBondContact O-CA 3.44Å; F76-L79 PolarHBondContact O-N 2.89Å; F76-N80 PolarHBondContact O-N 2.93Å; F76-N80 PolarHBondContact O-OD1 3.49Å; F76-Q87 HydrophobicContact CE2-CB 4.45Å
77Q88.3Confident89.2Confident127 Ų12770.2 Ų70.259%0.59336%0.363SS*.Hα-helixtrans-58.7-38.2175.5-70.1-61.9-30.400112.9E73 E74 I75 L79 N80E73-Q77 WeakPolarHBondContact O-CG 3.27Å; E73-Q77 PolarHBondContact O-N 3.49Å; E74-Q77 PolarHBondContact O-N 3.17Å; I75-Q77 VanDerWaalsContact C-N 3.3Å; I75-Q77 PolarHBondContact O-N 3.01Å; Q77-L79 PolarHBondContact O-N 3.38Å; Q77-N80 PolarHBondContact O-N 3.05Å; Q77-N80 PolarHBondContact O-ND2 2.7Å; Q77-N80 PolarHBondContact OE1-ND2 2.69Å
78Q87.7Confident89.4Confident100 Ų10074.1 Ų74.147%0.46737%0.367SS..Hα-helixtrans-70.1-20.4175.8-68.3-175.922.600113.2F61 E74 I75 F76F61-Q78 HydrophobicContact CE2-CB 4.12Å; E74-Q78 PolarHBondContact O-N 3.42Å; I75-Q78 PolarHBondContact O-N 2.9Å; I75-Q78 VanDerWaalsContact O-N 3.09Å; F76-Q78 VanDerWaalsContact C-N 3.29Å; F76-Q78 PolarHBondContact O-N 3.46Å
79L89.3Confident89.5Confident2 Ų267.3 Ų67.31%0.0134%0.339CS..Hα-helixtrans-99.11.4-178.8-55.7175000113.4L9 F61 I75 F76 Q77 Q81 L82 Q87 I90L9-L79 HydrophobicContact CD1-CD2 3.46Å; L9-L79 VanDerWaalsContact CD1-CD2 3.46Å; F61-L79 HydrophobicContact CE1-CD2 4.32Å; F61-L79 HydrophobicContact CE2-CD2 3.98Å; F61-L79 HydrophobicContact CZ-CD1 4.42Å; F61-L79 HydrophobicContact CZ-CD2 3.64Å; F61-L79 HydrophobicContact CZ-CG 4.16Å; I75-L79 HydrophobicContact CG2-CD1 3.99Å; I75-L79 WeakPolarHBondContact O-CG 3.45Å; I75-L79 PolarHBondContact O-N 3.39Å; F76-L79 CarbonylContact O-C 3.5Å; F76-L79 WeakPolarHBondContact O-CA 3.44Å; F76-L79 PolarHBondContact O-N 2.89Å; Q77-L79 PolarHBondContact O-N 3.38Å; L79-Q81 PolarHBondContact O-N 3.32Å; L79-L82 HydrophobicContact CD2-CD1 3.89Å; L79-L82 WeakPolarHBondContact O-CB 3.45Å; L79-L82 PolarHBondContact O-N 3.06Å; L79-Q87 HydrophobicContact CB-CG 3.87Å; L79-Q87 WeakPolarHBondContact O-CG 3.41Å; L79-Q87 PolarHBondContact O-NE2 3.4Å; L79-I90 HydrophobicContact CD1-CB 4.1Å; L79-I90 HydrophobicContact CD1-CD1 4.5Å; L79-I90 HydrophobicContact CD1-CG2 3.8Å; L79-I90 HydrophobicContact CD2-CD1 3.77Å; L79-I90 HydrophobicContact CD2-CG2 4.18Å
80N87.1Confident89.7Confident81 Ų8162.3 Ų62.343%0.43331%0.312SS..THydrogen-bonded Turntrans-53.1-25.5-175.1-80.1-20000115F76 Q77F76-N80 PolarHBondContact O-N 2.93Å; F76-N80 PolarHBondContact O-OD1 3.49Å; Q77-N80 PolarHBondContact O-N 3.05Å; Q77-N80 PolarHBondContact O-ND2 2.7Å; Q77-N80 PolarHBondContact OE1-ND2 2.69Å
81Q84.8Confident89.9Confident106 Ų10662.1 Ų62.150%0.49531%0.311SS..THydrogen-bonded Turntrans-85.4-9.6179.8-58-1738.800113.5T7 Q13 L79T7-Q81 VanDerWaalsContact CG2-NE2 3.32Å; T7-Q81 PolarHBondContact OG1-OE1 3.37Å; Q13-Q81 PolarHBondContact NE2-O 2.85Å; L79-Q81 PolarHBondContact O-N 3.32Å
82L87.7Confident90Very high10 Ų1067.4 Ų67.45%0.05233%0.328CS..SBendtrans-86.3154.4175.6-60-174.7000111.1L9 L12 Q13 L79 H86 Q87 I90L9-L82 HydrophobicContact CB-CD1 4.23Å; L9-L82 HydrophobicContact CB-CD2 4.49Å; L9-L82 WeakPolarHBondContact O-CD2 3.44Å; L12-L82 HydrophobicContact CB-CD2 4.27Å; L12-L82 HydrophobicContact CD1-CD1 4.3Å; Q13-L82 HydrophobicContact CG-CD2 4.02Å; Q13-L82 VanDerWaalsContact NE2-C 3.31Å; L79-L82 HydrophobicContact CD2-CD1 3.89Å; L79-L82 WeakPolarHBondContact O-CB 3.45Å; L79-L82 PolarHBondContact O-N 3.06Å; L82-H86 HydrophobicContact CB-CB 4.21Å; L82-H86 HydrophobicContact CD1-CB 4.18Å; L82-Q87 HydrophobicContact CB-CG 3.94Å; L82-Q87 PolarHBondContact O-NE2 3.21Å; L82-I90 HydrophobicContact CD1-CD1 3.45Å; L82-I90 VanDerWaalsContact CD1-CD1 3.45Å
83N89.4Confident90.2Very high58 Ų5864.1 Ų64.131%0.3131%0.31SS..  trans-67.9159.5169.767.244.6000110.5Q13 F85 H86 Q87Q13-N83 PolarHBondContact OE1-ND2 2.96Å; N83-F85 PolarHBondContact O-N 3.2Å; N83-F85 WeakPolarHBondContact OD1-CB 3.49Å; N83-F85 PolarHBondContact OD1-N 3.48Å; N83-H86 PolarHBondContact ND2-CD2 2.89Å; N83-H86 PolarHBondContact ND2-NE2 2.93Å; N83-H86 PolarHBondContact O-N 3.46Å; N83-H86 PolarHBondContact OD1-CD2 3.41Å; N83-H86 PolarHBondContact OD1-N 3.34Å; N83-Q87 WeakPolarHBondContact O-CG 3.44Å; N83-Q87 PolarHBondContact O-N 3.26Å; N83-Q87 VanDerWaalsContact O-N 3.07Å
84S89Confident90.3Very high79 Ų7957.7 Ų57.755%0.55228%0.28SS*.Hα-helixtrans-56-36-176.454.50000112.8Q87 E88S84-Q87 PolarHBondContact O-N 2.72Å; S84-E88 WeakPolarHBondContact O-CB 3.3Å; S84-E88 WeakPolarHBondContact O-CG 3.34Å; S84-E88 PolarHBondContact O-N 2.99Å
85F89.8Confident90.5Very high76 Ų7659 Ų5933%0.33329%0.285SS..Hα-helixtrans-62-49.3178.9174.7-90.6000112.5A17 N83 T89A17-F85 HydrophobicContact CB-CD1 3.88Å; A17-F85 HydrophobicContact CB-CD2 4.3Å; A17-F85 HydrophobicContact CB-CE1 3.53Å; A17-F85 HydrophobicContact CB-CE2 3.95Å; A17-F85 HydrophobicContact CB-CG 4.28Å; A17-F85 HydrophobicContact CB-CZ 3.56Å; A17-F85 WeakPolarHBondContact O-CE1 3.34Å; A17-F85 WeakPolarHBondContact O-CZ 3.34Å; N83-F85 PolarHBondContact O-N 3.2Å; N83-F85 WeakPolarHBondContact OD1-CB 3.49Å; N83-F85 PolarHBondContact OD1-N 3.48Å; F85-T89 WeakPolarHBondContact O-CB 3.42Å; F85-T89 PolarHBondContact O-N 3.43Å; F85-T89 PolarHBondContact O-OG1 3.23Å
86H89.3Confident90.7Very high6 Ų662.4 Ų62.43%0.02831%0.309CS..Hα-helixtrans-68.3-38178.5-64.3-51.4000111.5L12 L15 L82 N83 T89 I90L12-H86 PolarHBondContact O-CE1 3.44Å; L12-H86 PolarHBondContact O-NE2 3.1Å; L15-H86 PolarHBondContact O-CE1 3.43Å; L15-H86 VanDerWaalsContact O-CE1 3.25Å; L82-H86 HydrophobicContact CB-CB 4.21Å; L82-H86 HydrophobicContact CD1-CB 4.18Å; N83-H86 PolarHBondContact ND2-CD2 2.89Å; N83-H86 PolarHBondContact ND2-NE2 2.93Å; N83-H86 PolarHBondContact O-N 3.46Å; N83-H86 PolarHBondContact OD1-CD2 3.41Å; N83-H86 PolarHBondContact OD1-N 3.34Å; H86-T89 PolarHBondContact O-N 2.97Å; H86-I90 WeakPolarHBondContact O-CB 3.46Å; H86-I90 WeakPolarHBondContact O-CD1 3.35Å; H86-I90 WeakPolarHBondContact O-CG1 3.25Å; H86-I90 PolarHBondContact O-N 3.48Å
87Q91.1Very high91Very high23 Ų2360.1 Ų60.111%0.10730%0.297CS..Hα-helixtrans-56.3-52.8174.5-69177-800111.4F76 L79 L82 N83 S84 T89 I90 M91F76-Q87 HydrophobicContact CE2-CB 4.45Å; L79-Q87 HydrophobicContact CB-CG 3.87Å; L79-Q87 WeakPolarHBondContact O-CG 3.41Å; L79-Q87 PolarHBondContact O-NE2 3.4Å; L82-Q87 HydrophobicContact CB-CG 3.94Å; L82-Q87 PolarHBondContact O-NE2 3.21Å; N83-Q87 WeakPolarHBondContact O-CG 3.44Å; N83-Q87 PolarHBondContact O-N 3.26Å; N83-Q87 VanDerWaalsContact O-N 3.07Å; S84-Q87 PolarHBondContact O-N 2.72Å; Q87-T89 VanDerWaalsContact C-N 3.34Å; Q87-T89 PolarHBondContact O-N 3.48Å; Q87-I90 PolarHBondContact O-N 3.44Å; Q87-M91 WeakPolarHBondContact O-CB 3.44Å; Q87-M91 PolarHBondContact O-N 3.26Å
88E91.8Very high91.3Very high138 Ų13857.4 Ų57.465%0.64528%0.283SS*.Hα-helixtrans-61.1-42.8179.4-75.5178.3-168.400112S84 M91 K92S84-E88 WeakPolarHBondContact O-CB 3.3Å; S84-E88 WeakPolarHBondContact O-CG 3.34Å; S84-E88 PolarHBondContact O-N 2.99Å; E88-M91 PolarHBondContact O-N 3.49Å; E88-K92 WeakPolarHBondContact O-CB 3.37Å; E88-K92 PolarHBondContact O-N 2.85Å
89T93Very high91.5Very high17 Ų1758.2 Ų58.210%0.10429%0.291CS..Hα-helixtrans-64.3-45.4-179.6-56.20000111.4P21 L24 F85 H86 Q87 K92 C93P21-T89 HydrophobicContact CB-CG2 4.13Å; P21-T89 HydrophobicContact CG-CG2 3.79Å; L24-T89 HydrophobicContact CD1-CG2 3.68Å; F85-T89 WeakPolarHBondContact O-CB 3.42Å; F85-T89 PolarHBondContact O-N 3.43Å; F85-T89 PolarHBondContact O-OG1 3.23Å; H86-T89 PolarHBondContact O-N 2.97Å; Q87-T89 VanDerWaalsContact C-N 3.34Å; Q87-T89 PolarHBondContact O-N 3.48Å; T89-K92 PolarHBondContact O-N 2.96Å; T89-C93 PolarHBondContact O-N 3.27Å; T89-C93 PolarHBondContact O-SG 3.4Å
90I93.3Very high91.8Very high1 Ų160.7 Ų60.71%0.00530%0.303CS..Hα-helixtrans-61.9-46.3176.8-69.4166000110L9 L12 L24 F61 F62 L79 L82 H86 Q87 K92 C93 V94L9-I90 HydrophobicContact CD1-CD1 4.44Å; L12-I90 HydrophobicContact CD1-CD1 3.77Å; L24-I90 HydrophobicContact CD1-CG1 3.81Å; L24-I90 HydrophobicContact CD2-CG1 4.26Å; F61-I90 HydrophobicContact CD1-CG2 4.46Å; F61-I90 HydrophobicContact CE1-CG2 3.51Å; F61-I90 HydrophobicContact CZ-CG2 4.08Å; F62-I90 HydrophobicContact CZ-CG2 4.39Å; L79-I90 HydrophobicContact CD1-CB 4.1Å; L79-I90 HydrophobicContact CD1-CD1 4.5Å; L79-I90 HydrophobicContact CD1-CG2 3.8Å; L79-I90 HydrophobicContact CD2-CD1 3.77Å; L79-I90 HydrophobicContact CD2-CG2 4.18Å; L82-I90 HydrophobicContact CD1-CD1 3.45Å; L82-I90 VanDerWaalsContact CD1-CD1 3.45Å; H86-I90 WeakPolarHBondContact O-CB 3.46Å; H86-I90 WeakPolarHBondContact O-CD1 3.35Å; H86-I90 WeakPolarHBondContact O-CG1 3.25Å; H86-I90 PolarHBondContact O-N 3.48Å; Q87-I90 PolarHBondContact O-N 3.44Å; I90-K92 VanDerWaalsContact C-N 3.3Å; I90-K92 PolarHBondContact O-N 3.29Å; I90-C93 WeakPolarHBondContact O-CB 3.46Å; I90-C93 PolarHBondContact O-N 3.23Å; I90-C93 VanDerWaalsContact O-N 3.08Å; I90-V94 HydrophobicContact CG2-CG2 4.36Å; I90-V94 WeakPolarHBondContact O-CG2 3.48Å; I90-V94 PolarHBondContact O-N 3.01Å
91M93.9Very high92.1Very high23 Ų2356.9 Ų56.911%0.11328%0.282CS..Hα-helixtrans-63.2-39.1-179.2-160.859-102.900111.7I75 Q87 E88 C93 V94 K95I75-M91 HydrophobicContact CB-SD 4.21Å; I75-M91 HydrophobicContact CD1-CE 3.92Å; I75-M91 HydrophobicContact CD1-SD 4.27Å; I75-M91 HydrophobicContact CG2-CE 4.47Å; I75-M91 HydrophobicContact CG2-SD 3.7Å; Q87-M91 WeakPolarHBondContact O-CB 3.44Å; Q87-M91 PolarHBondContact O-N 3.26Å; E88-M91 PolarHBondContact O-N 3.49Å; M91-C93 VanDerWaalsContact C-N 3.35Å; M91-C93 PolarHBondContact O-N 3.13Å; M91-V94 HydrophobicContact CE-CB 3.68Å; M91-V94 HydrophobicContact CE-CG1 3.75Å; M91-V94 HydrophobicContact CE-CG2 4.48Å; M91-V94 PolarHBondContact O-N 2.99Å; M91-K95 HydrophobicContact CE-CD 4.16Å; M91-K95 HydrophobicContact CE-CG 3.69Å; M91-K95 HydrophobicContact CG-CD 4.42Å; M91-K95 WeakPolarHBondContact O-CB 3.38Å; M91-K95 WeakPolarHBondContact O-CG 3.46Å; M91-K95 PolarHBondContact O-N 3.16Å
92K94.4Very high92.5Very high160 Ų16057.6 Ų57.670%0.69628%0.283SS*.Hα-helixtrans-62.4-41.3172.9-170.9178.5-179.9-178.50112E88 T89 I90 S96E88-K92 WeakPolarHBondContact O-CB 3.37Å; E88-K92 PolarHBondContact O-N 2.85Å; T89-K92 PolarHBondContact O-N 2.96Å; I90-K92 VanDerWaalsContact C-N 3.3Å; I90-K92 PolarHBondContact O-N 3.29Å; K92-S96 WeakPolarHBondContact O-CB 3.45Å; K92-S96 PolarHBondContact O-N 2.99Å; K92-S96 PolarHBondContact O-OG 2.91Å
93C94.8Very high92.6Very high2 Ų262.3 Ų62.31%0.01431%0.305CS..Hα-helixtrans-64.7-47177.1-670000111.8I28 F62 T89 I90 M91 K95 S96 R97I28-C93 HydrophobicContact CD1-CB 3.83Å; F62-C93 HydrophobicContact CE1-CB 3.98Å; F62-C93 HydrophobicContact CZ-CB 3.9Å; T89-C93 PolarHBondContact O-N 3.27Å; T89-C93 PolarHBondContact O-SG 3.4Å; I90-C93 WeakPolarHBondContact O-CB 3.46Å; I90-C93 PolarHBondContact O-N 3.23Å; I90-C93 VanDerWaalsContact O-N 3.08Å; M91-C93 VanDerWaalsContact C-N 3.35Å; M91-C93 PolarHBondContact O-N 3.13Å; C93-K95 PolarHBondContact O-N 3.45Å; C93-S96 PolarHBondContact O-N 3.43Å; C93-S96 PolarHBondContact O-OG 3.19Å; C93-R97 WeakPolarHBondContact O-CB 3.46Å; C93-R97 PolarHBondContact O-N 3.39Å
94V93.6Very high92.6Very high5 Ų560.2 Ų60.23%0.0330%0.296CS..Hα-helixtrans-57.7-50.6176.61730000109.9F62 V65 I75 I90 M91 S96 R97 K98F62-V94 HydrophobicContact CD1-CG2 3.79Å; F62-V94 HydrophobicContact CE1-CB 4.46Å; F62-V94 HydrophobicContact CE1-CG2 3.48Å; F62-V94 VanDerWaalsContact CE1-CG2 3.48Å; V65-V94 HydrophobicContact CG1-CG1 3.84Å; V65-V94 HydrophobicContact CG1-CG2 4.26Å; I75-V94 HydrophobicContact CD1-CG1 4.25Å; I90-V94 HydrophobicContact CG2-CG2 4.36Å; I90-V94 WeakPolarHBondContact O-CG2 3.48Å; I90-V94 PolarHBondContact O-N 3.01Å; M91-V94 HydrophobicContact CE-CB 3.68Å; M91-V94 HydrophobicContact CE-CG1 3.75Å; M91-V94 HydrophobicContact CE-CG2 4.48Å; M91-V94 PolarHBondContact O-N 2.99Å; V94-S96 PolarHBondContact O-N 3.36Å; V94-R97 PolarHBondContact O-N 2.96Å; V94-K98 WeakPolarHBondContact O-CA 3.47Å; V94-K98 VanDerWaalsContact O-CB 3.27Å; V94-K98 WeakPolarHBondContact O-CB 3.18Å; V94-K98 PolarHBondContact O-N 2.88Å
95K93.4Very high92.5Very high124 Ų12457.7 Ų57.754%0.53928%0.276SS..Hα-helixtrans-61.4-43.6-178.5-74.1177179.6-171.50112.7D72 M91 C93D72-K95 WeakPolarHBondContact OD1-CE 3.33Å; D72-K95 IonicContact OD1-NZ 3.61Å; D72-K95 WeakPolarHBondContact OD2-CE 3.05Å; D72-K95 IonicContact OD2-NZ 2.7Å; D72-K95 PolarHBondContact OD2-NZ 3.25Å; M91-K95 HydrophobicContact CE-CD 4.16Å; M91-K95 HydrophobicContact CE-CG 3.69Å; M91-K95 HydrophobicContact CG-CD 4.42Å; M91-K95 WeakPolarHBondContact O-CB 3.38Å; M91-K95 WeakPolarHBondContact O-CG 3.46Å; M91-K95 PolarHBondContact O-N 3.16Å; C93-K95 PolarHBondContact O-N 3.45Å
96S94.7Very high92.2Very high75 Ų7556.9 Ų56.952%0.52428%0.28SS..Hα-helixtrans-78-25.4-176.156.60000114.4K92 C93 V94K92-S96 WeakPolarHBondContact O-CB 3.45Å; K92-S96 PolarHBondContact O-N 2.99Å; K92-S96 PolarHBondContact O-OG 2.91Å; C93-S96 PolarHBondContact O-N 3.43Å; C93-S96 PolarHBondContact O-OG 3.19Å; V94-S96 PolarHBondContact O-N 3.36Å
97R95.8Very high91.8Very high50 Ų5064.4 Ų64.419%0.18931%0.308CS..Hα-helixtrans-117.66.4-172.9-55.3-68.8-69.5-97.8-20.2113.9I28 D29 C93 V94 D99 E100 I101I28-R97 HydrophobicContact CD1-CB 4.3Å; I28-R97 HydrophobicContact CD1-CG 4.27Å; I28-R97 HydrophobicContact CG2-CB 4Å; I28-R97 HydrophobicContact CG2-CG 4.32Å; D29-R97 IonicContact OD1-CZ 2.85Å; D29-R97 IonicContact OD1-NH1 2.77Å; D29-R97 IonicContact OD1-NH2 3.23Å; D29-R97 PolarHBondContact OD1-NH2 3.29Å; C93-R97 WeakPolarHBondContact O-CB 3.46Å; C93-R97 PolarHBondContact O-N 3.39Å; V94-R97 PolarHBondContact O-N 2.96Å; R97-D99 PolarHBondContact O-N 2.77Å; R97-E100 IonicContact CZ-OE2 2.71Å; R97-E100 IonicContact NE-OE2 3.38Å; R97-E100 PolarHBondContact NE-OE2 3.49Å; R97-E100 IonicContact NH2-OE1 2.69Å; R97-E100 IonicContact NH2-OE2 3.93Å; R97-E100 PolarHBondContact NH2-OE2 3.1Å; R97-E100 PolarHBondContact O-N 3.36Å; R97-I101 HydrophobicContact CB-CD1 4.27Å; R97-I101 WeakPolarHBondContact O-CG1 3.11Å; R97-I101 PolarHBondContact O-N 2.98Å
98K93.8Very high91Very high69 Ų6967.6 Ų67.630%0.332%0.323SS..Hα-helixtrans-51.1-50.3-177.6-172.2170.9-179.5172.10112.9V66 N69 V94 E100 I101 K102V66-K98 HydrophobicContact CG1-CG 4.18Å; V66-K98 HydrophobicContact CG2-CG 4.33Å; N69-K98 WeakPolarHBondContact OD1-CE 3.39Å; N69-K98 PolarHBondContact OD1-NZ 3.45Å; V94-K98 WeakPolarHBondContact O-CA 3.47Å; V94-K98 VanDerWaalsContact O-CB 3.27Å; V94-K98 WeakPolarHBondContact O-CB 3.18Å; V94-K98 PolarHBondContact O-N 2.88Å; K98-E100 VanDerWaalsContact C-N 3.32Å; K98-E100 PolarHBondContact O-N 3.08Å; K98-I101 PolarHBondContact O-N 3.38Å; K98-K102 WeakPolarHBondContact O-CB 3.34Å; K98-K102 PolarHBondContact O-N 3.37Å
99D92.3Very high90Very high118 Ų11866.6 Ų66.663%0.63132%0.321SS*.Hα-helixtrans-66.2-37.2-175.5-68.5-32.9000112.2R97 K102 Q103R97-D99 PolarHBondContact O-N 2.77Å; D99-K102 PolarHBondContact O-N 3.18Å; D99-Q103 VanDerWaalsContact O-CG 3.31Å; D99-Q103 WeakPolarHBondContact O-CG 3.3Å; D99-Q103 PolarHBondContact O-N 3.47Å
100E94Very high88.5Confident54 Ų5469 Ų6925%0.25234%0.335SS..Hα-helixtrans-68.6-44.2178.5-163.1-171.8-161.700111.7C32 R34 R97 K98 K102 Q103 A104C32-E100 HydrophobicContact CB-CG 4.27Å; C32-E100 VanDerWaalsContact SG-CG 3.58Å; R34-E100 IonicContact CZ-OE1 3.59Å; R34-E100 IonicContact NH1-OE1 2.7Å; R34-E100 PolarHBondContact NH1-OE1 2.99Å; R34-E100 IonicContact NH2-OE1 3.01Å; R34-E100 PolarHBondContact NH2-OE1 3.48Å; R34-E100 IonicContact NH2-OE2 3.14Å; R34-E100 PolarHBondContact NH2-OE2 3.38Å; R97-E100 IonicContact CZ-OE2 2.71Å; R97-E100 IonicContact NE-OE2 3.38Å; R97-E100 PolarHBondContact NE-OE2 3.49Å; R97-E100 IonicContact NH2-OE1 2.69Å; R97-E100 IonicContact NH2-OE2 3.93Å; R97-E100 PolarHBondContact NH2-OE2 3.1Å; R97-E100 PolarHBondContact O-N 3.36Å; K98-E100 VanDerWaalsContact C-N 3.32Å; K98-E100 PolarHBondContact O-N 3.08Å; E100-K102 VanDerWaalsContact C-N 3.31Å; E100-K102 PolarHBondContact O-N 3.19Å; E100-Q103 PolarHBondContact O-N 3.22Å; E100-A104 PolarHBondContact O-N 2.77Å
101I93.8Very high86.8Confident0 Ų072.7 Ų72.70%037%0.366CS..Hα-helixtrans-62.1-43.1174.7-63.6164.3000109.7I28 I31 F62 V66 R97 K98 Q103 A104 L105I28-I101 HydrophobicContact CD1-CD1 4.45Å; I28-I101 HydrophobicContact CG1-CD1 4.23Å; I28-I101 HydrophobicContact CG2-CD1 3.94Å; I28-I101 HydrophobicContact CG2-CG1 3.78Å; I31-I101 HydrophobicContact CG2-CG2 4.33Å; F62-I101 HydrophobicContact CB-CD1 4.35Å; F62-I101 HydrophobicContact CD1-CD1 3.98Å; F62-I101 HydrophobicContact CG-CD1 4.46Å; V66-I101 HydrophobicContact CB-CB 4.3Å; V66-I101 HydrophobicContact CB-CG2 3.72Å; V66-I101 HydrophobicContact CG1-CB 4.07Å; V66-I101 HydrophobicContact CG1-CG2 3.85Å; V66-I101 HydrophobicContact CG2-CB 4.06Å; V66-I101 HydrophobicContact CG2-CD1 4.04Å; V66-I101 HydrophobicContact CG2-CG2 3.82Å; R97-I101 HydrophobicContact CB-CD1 4.27Å; R97-I101 WeakPolarHBondContact O-CG1 3.11Å; R97-I101 PolarHBondContact O-N 2.98Å; K98-I101 PolarHBondContact O-N 3.38Å; I101-Q103 PolarHBondContact O-N 3.49Å; I101-A104 PolarHBondContact O-N 2.7Å; I101-L105 HydrophobicContact CG2-CD1 4.07Å; I101-L105 HydrophobicContact CG2-CG 4.31Å; I101-L105 WeakPolarHBondContact O-CG 3.4Å; I101-L105 PolarHBondContact O-N 2.75Å
102K93.1Very high85.2Confident121 Ų12178 Ų7853%0.52639%0.393SS..Hα-helixtrans-60-45.8177.7-172177.7-178.3178.40111.4V66 K98 D99 E100 A104 L105 S106V66-K102 HydrophobicContact CG1-CB 3.88Å; K98-K102 WeakPolarHBondContact O-CB 3.34Å; K98-K102 PolarHBondContact O-N 3.37Å; D99-K102 PolarHBondContact O-N 3.18Å; E100-K102 VanDerWaalsContact C-N 3.31Å; E100-K102 PolarHBondContact O-N 3.19Å; K102-A104 VanDerWaalsContact C-N 3.35Å; K102-A104 PolarHBondContact O-N 3.14Å; K102-L105 PolarHBondContact O-N 3.37Å; K102-S106 PolarHBondContact O-N 2.98Å; K102-S106 PolarHBondContact O-OG 2.91Å; K102-S106 VanDerWaalsContact O-OG 3.1Å
103Q89.9Confident83.6Confident110 Ų11073.1 Ų73.151%0.51438%0.38SS..Hα-helixtrans-60.9-42.8175.2-74.6179.215.500112D99 E100 I101 S106 R107D99-Q103 VanDerWaalsContact O-CG 3.31Å; D99-Q103 WeakPolarHBondContact O-CG 3.3Å; D99-Q103 PolarHBondContact O-N 3.47Å; E100-Q103 PolarHBondContact O-N 3.22Å; I101-Q103 PolarHBondContact O-N 3.49Å; Q103-S106 PolarHBondContact O-N 2.9Å; Q103-R107 WeakPolarHBondContact O-CG 3.35Å; Q103-R107 PolarHBondContact O-N 2.99Å
104A89.1Confident82.2Confident14 Ų1477 Ų7712%0.11641%0.407CS..Hα-helixtrans-62.7-46.3178.100000112.1C32 E100 I101 K102 S106 R107 E108C32-A104 HydrophobicContact CB-CB 4.42Å; E100-A104 PolarHBondContact O-N 2.77Å; I101-A104 PolarHBondContact O-N 2.7Å; K102-A104 VanDerWaalsContact C-N 3.35Å; K102-A104 PolarHBondContact O-N 3.14Å; A104-S106 VanDerWaalsContact C-N 3.35Å; A104-S106 PolarHBondContact O-N 3.2Å; A104-R107 WeakPolarHBondContact O-CB 3.24Å; A104-R107 PolarHBondContact O-N 3.41Å; A104-R107 VanDerWaalsContact O-N 3.17Å; A104-E108 PolarHBondContact O-N 3.41Å
105L88.5Confident81.6Confident25 Ų2578.9 Ų78.913%0.13142%0.423CS..Hα-helixtrans-61.4-41.7175.4-70.9177.6000112.1K63 V66 I101 K102 R107 E108 I109K63-L105 HydrophobicContact CB-CD2 4.13Å; K63-L105 HydrophobicContact CD-CD2 3.97Å; K63-L105 HydrophobicContact CG-CD2 3.79Å; V66-L105 HydrophobicContact CB-CD1 4.5Å; V66-L105 HydrophobicContact CG1-CD1 4.48Å; I101-L105 HydrophobicContact CG2-CD1 4.07Å; I101-L105 HydrophobicContact CG2-CG 4.31Å; I101-L105 WeakPolarHBondContact O-CG 3.4Å; I101-L105 PolarHBondContact O-N 2.75Å; K102-L105 PolarHBondContact O-N 3.37Å; L105-R107 VanDerWaalsContact C-N 3.34Å; L105-R107 PolarHBondContact O-N 2.99Å; L105-E108 PolarHBondContact O-N 3.46Å; L105-I109 WeakPolarHBondContact O-CG1 3.32Å; L105-I109 PolarHBondContact O-N 3.19Å
106S83.2Confident81.1Confident60 Ų6075.3 Ų75.342%0.4241%0.408SS..Hα-helixtrans-61.7-41.8174.1-64.20000111.8K102 Q103 A104 E108 I109 V110K102-S106 PolarHBondContact O-N 2.98Å; K102-S106 PolarHBondContact O-OG 2.91Å; K102-S106 VanDerWaalsContact O-OG 3.1Å; Q103-S106 PolarHBondContact O-N 2.9Å; A104-S106 VanDerWaalsContact C-N 3.35Å; A104-S106 PolarHBondContact O-N 3.2Å; S106-E108 VanDerWaalsContact C-N 3.34Å; S106-E108 PolarHBondContact O-N 2.84Å; S106-I109 PolarHBondContact O-N 3.38Å; S106-V110 VanDerWaalsContact O-CB 3.31Å; S106-V110 WeakPolarHBondContact O-CB 3.46Å; S106-V110 WeakPolarHBondContact O-CG2 3.4Å; S106-V110 PolarHBondContact O-N 3.38Å
107R79.8Confident80.8Confident163 Ų16376.5 Ų76.562%0.61541%0.408SS*.Hα-helixtrans-63.3-38.3174.7-71.2177.5-164.6163.86.8112.2Q103 A104 L105 V110 A111Q103-R107 WeakPolarHBondContact O-CG 3.35Å; Q103-R107 PolarHBondContact O-N 2.99Å; A104-R107 WeakPolarHBondContact O-CB 3.24Å; A104-R107 PolarHBondContact O-N 3.41Å; A104-R107 VanDerWaalsContact O-N 3.17Å; L105-R107 VanDerWaalsContact C-N 3.34Å; L105-R107 PolarHBondContact O-N 2.99Å; R107-V110 PolarHBondContact O-N 3.31Å; R107-A111 VanDerWaalsContact O-CB 3.28Å; R107-A111 WeakPolarHBondContact O-CB 3.28Å; R107-A111 PolarHBondContact O-N 3.05Å
108E75.1Confident80.6Confident90 Ų9079 Ų7942%0.42142%0.422SS..Hα-helixtrans-63-46.3176.3-167.8174.4172.800110.8K63 A104 L105 S106 V110 A111 I112K63-E108 IonicContact NZ-OE1 3.99Å; K63-E108 PolarHBondContact NZ-OE1 3.4Å; K63-E108 IonicContact NZ-OE2 3.36Å; K63-E108 PolarHBondContact NZ-OE2 3.29Å; A104-E108 PolarHBondContact O-N 3.41Å; L105-E108 PolarHBondContact O-N 3.46Å; S106-E108 VanDerWaalsContact C-N 3.34Å; S106-E108 PolarHBondContact O-N 2.84Å; E108-V110 PolarHBondContact O-N 2.98Å; E108-A111 PolarHBondContact O-N 3.12Å; E108-I112 WeakPolarHBondContact O-CD1 3.45Å; E108-I112 VanDerWaalsContact O-CG1 3.28Å; E108-I112 WeakPolarHBondContact O-CG1 3.35Å; E108-I112 PolarHBondContact O-N 3.03Å; E108-I112 VanDerWaalsContact O-N 3.11Å
109I70.8Confident80.5Confident118 Ų11879.9 Ų79.961%0.60543%0.43SS*.Hα-helixtrans-62.1-44.2174.8-65.5165.4000111.2L105 S106 I112 S113L105-I109 WeakPolarHBondContact O-CG1 3.32Å; L105-I109 PolarHBondContact O-N 3.19Å; S106-I109 PolarHBondContact O-N 3.38Å; I109-I112 WeakPolarHBondContact O-CB 3.35Å; I109-I112 PolarHBondContact O-N 3.29Å; I109-S113 PolarHBondContact O-N 2.88Å
110V60.8Low80.7Confident66 Ų6679.7 Ų79.740%0.442%0.424SS..Hα-helixtrans-63.7-42.2178.1168.50000110.2S106 R107 E108 I112 S113 Q116S106-V110 VanDerWaalsContact O-CB 3.31Å; S106-V110 WeakPolarHBondContact O-CB 3.46Å; S106-V110 WeakPolarHBondContact O-CG2 3.4Å; S106-V110 PolarHBondContact O-N 3.38Å; R107-V110 PolarHBondContact O-N 3.31Å; E108-V110 PolarHBondContact O-N 2.98Å; V110-I112 PolarHBondContact O-N 3.13Å; V110-S113 WeakPolarHBondContact O-CA 3.21Å; V110-S113 WeakPolarHBondContact O-CB 3.43Å; V110-S113 PolarHBondContact O-N 3.37Å; V110-Q116 HydrophobicContact CG1-CG 4.18Å; V110-Q116 PolarHBondContact O-NE2 2.83Å
111A58.8Low80.8Confident79 Ų7982.2 Ų82.265%0.65344%0.439SS*.Hα-helixtrans-63-26.7175.600000113.7R107 E108 S113R107-A111 VanDerWaalsContact O-CB 3.28Å; R107-A111 WeakPolarHBondContact O-CB 3.28Å; R107-A111 PolarHBondContact O-N 3.05Å; E108-A111 PolarHBondContact O-N 3.12Å; A111-S113 VanDerWaalsContact C-N 3.32Å
112I60Low80.9Confident134 Ų13490 Ų9069%0.68747%0.468SS*.Hα-helixtrans-76.3-22.8171.6-62.2161.1000111.3E108 I109 V110 S114E108-I112 WeakPolarHBondContact O-CD1 3.45Å; E108-I112 VanDerWaalsContact O-CG1 3.28Å; E108-I112 WeakPolarHBondContact O-CG1 3.35Å; E108-I112 PolarHBondContact O-N 3.03Å; E108-I112 VanDerWaalsContact O-N 3.11Å; I109-I112 WeakPolarHBondContact O-CB 3.35Å; I109-I112 PolarHBondContact O-N 3.29Å; V110-I112 PolarHBondContact O-N 3.13Å; I112-S114 PolarHBondContact O-N 3.37Å
113S60.1Low81.1Confident58 Ų5887.9 Ų87.941%0.40646%0.461SS..  trans-64.8121.5176.3-166.20000110.2I109 V110 A111 A115I109-S113 PolarHBondContact O-N 2.88Å; V110-S113 WeakPolarHBondContact O-CA 3.21Å; V110-S113 WeakPolarHBondContact O-CB 3.43Å; V110-S113 PolarHBondContact O-N 3.37Å; A111-S113 VanDerWaalsContact C-N 3.32Å; S113-A115 PolarHBondContact O-N 3.49Å; S113-A115 PolarHBondContact OG-O 2.88Å
114S65.3Low81.2Confident85 Ų8587 Ų8759%0.59446%0.462SS*.SBendtrans-65.4-21.1-175.150.90000113.8I112 E149I112-S114 PolarHBondContact O-N 3.37Å; S114-E149 VanDerWaalsContact O-CA 3.28Å; S114-E149 WeakPolarHBondContact O-CA 3.49Å; S114-E149 WeakPolarHBondContact O-CB 3.35Å
115A80.6Confident81.2Confident44 Ų4490.3 Ų90.336%0.36447%0.474SS..EExtended strand (participates in β ladder)trans-151.7128.8-177.500000111.6S113 V147 K148 E149S113-A115 PolarHBondContact O-N 3.49Å; S113-A115 PolarHBondContact OG-O 2.88Å; A115-V147 HydrophobicContact CB-CG1 3.85Å; A115-K148 CarbonylContact C-O 3.58Å; A115-K148 WeakPolarHBondContact CA-O 3.4Å; A115-E149 HydrophobicContact CB-CG 3.81Å
116Q84.1Confident81.1Confident48 Ų4894.5 Ų94.522%0.22450%0.496CS..EExtended strand (participates in β ladder)trans-133.2122.9179.4-62.6166.736.300111.2V110 Q118 V147 K148V110-Q116 HydrophobicContact CG1-CG 4.18Å; V110-Q116 PolarHBondContact O-NE2 2.83Å; Q116-Q118 PolarHBondContact O-N 2.82Å; Q116-Q118 PolarHBondContact O-NE2 3.36Å; Q116-V147 CarbonylContact O-C 3.58Å; Q116-V147 WeakPolarHBondContact O-CA 3.46Å; Q116-K148 PolarHBondContact N-O 3.38Å; Q116-K148 PolarHBondContact O-N 3.4Å
117L88.8Confident80.8Confident100 Ų10093.2 Ų93.252%0.52449%0.489SS..EExtended strand (participates in β ladder)trans-64121.4171.7-174.767.3000110.2D119 L145 V147L117-D119 VanDerWaalsContact CD1-O 3.32Å; L117-D119 WeakPolarHBondContact CD1-O 3.46Å; L117-L145 HydrophobicContact CD1-CB 3.73Å; L117-L145 HydrophobicContact CD1-CD2 3.87Å; L117-L145 HydrophobicContact CD1-CG 4.25Å; L117-V147 HydrophobicContact CD1-CG2 4.1Å
118Q90.8Very high80.4Confident102 Ų10291.7 Ų91.748%0.47749%0.492SS..EExtended strand (participates in β ladder)trans-96.8-47177.6-61-58.8-61.700111.4Q116 D146 K148 V153Q116-Q118 PolarHBondContact O-N 2.82Å; Q116-Q118 PolarHBondContact O-NE2 3.36Å; Q118-D146 WeakPolarHBondContact CB-O 3.42Å; Q118-D146 PolarHBondContact N-O 3.25Å; Q118-K148 HydrophobicContact CG-CB 3.7Å; Q118-V153 HydrophobicContact CG-CG2 4.48Å
119D92.9Very high79.8Confident88 Ų8888.7 Ų88.747%0.47148%0.482SS..EExtended strand (participates in β ladder)trans-147.3158.8-176.5-154.7-0.7000110.9L117 D146L117-D119 VanDerWaalsContact CD1-O 3.32Å; L117-D119 WeakPolarHBondContact CD1-O 3.46Å; D119-D146 HydrophobicContact CB-CB 4.2Å; D119-D146 PolarHBondContact N-O 3.03Å; D119-D146 PolarHBondContact O-N 2.94Å
120F95.9Very high79.3Confident114 Ų11488.3 Ų88.350%0.549%0.489SS..EExtended strand (participates in β ladder)trans-146139.317176.3-81.7000112.2L143 H144 L145F120-L143 HydrophobicContact CD2-CD1 4.15Å; F120-H144 CarbonylContact C-O 3.56Å; F120-H144 WeakPolarHBondContact CA-O 3.2Å; F120-H144 WeakPolarHBondContact CB-O 3.1Å; F120-L145 HydrophobicContact CB-CD2 3.61Å
121D96Very high79.4Confident107 Ų10791.5 Ų91.557%0.57250%0.504SS*.EExtended strand (participates in β ladder)trans-124.7153.4174-81.5-53.3000110H144D121-H144 HydrophobicContact CB-CB 4.28Å; D121-H144 PolarHBondContact N-O 3.3Å; D121-H144 PolarHBondContact O-N 3.34Å
122W96.3Very high79.3Confident163 Ų16394.5 Ų94.562%0.61750%0.503SS*.EExtended strand (participates in β ladder)trans-143152.7177.865.5-88.4000112.3V124 L141 S142 L143W122-V124 HydrophobicContact CE3-CG2 4.12Å; W122-V124 HydrophobicContact CZ3-CG2 3.84Å; W122-L141 HydrophobicContact CB-CD1 4.07Å; W122-L141 HydrophobicContact CD2-CD1 4.27Å; W122-L141 HydrophobicContact CE3-CD1 3.65Å; W122-L141 HydrophobicContact CG-CD1 4.47Å; W122-L141 HydrophobicContact CZ3-CD1 4.5Å; W122-S142 CarbonylContact C-O 3.54Å; W122-S142 VanDerWaalsContact CA-O 3.31Å; W122-S142 WeakPolarHBondContact CA-O 3.22Å; W122-L143 HydrophobicContact CB-CD1 4.22Å
123Q95.6Very high79.2Confident78 Ų7897.2 Ų97.236%0.36452%0.516SS..EExtended strand (participates in β ladder)trans-144.6144.1176.460.7-177.9-32.700110.4S142 H144Q123-S142 PolarHBondContact N-O 3.43Å; Q123-S142 PolarHBondContact O-N 2.93Å; Q123-H144 PolarHBondContact NE2-NE2 2.96Å; Q123-H144 VanDerWaalsContact NE2-NE2 3.12Å
124V92.6Very high79.1Confident91 Ų9197.7 Ų97.755%0.55252%0.524SS*.EExtended strand (participates in β ladder)trans-103.6129.4174.6175.90000109.3W122 P139 L140 L141W122-V124 HydrophobicContact CE3-CG2 4.12Å; W122-V124 HydrophobicContact CZ3-CG2 3.84Å; V124-P139 HydrophobicContact CG1-CB 4.43Å; V124-L140 CarbonylContact C-O 3.51Å; V124-L140 WeakPolarHBondContact CA-O 3.49Å; V124-L141 HydrophobicContact CG2-CD1 3.73Å
125K89.1Confident78.6Confident84 Ų8497 Ų9737%0.36552%0.524SS..EExtended strand (participates in β ladder)trans-121.4151.7-180-60179.1-171.2164.90110.1P139 L140K125-P139 CarbonylContact O-C 3.57Å; K125-P139 WeakPolarHBondContact O-CA 3.43Å; K125-L140 PolarHBondContact N-O 3.36Å; K125-L140 PolarHBondContact O-N 3.39Å
126L86.4Confident77.7Confident113 Ų11399.6 Ų99.659%0.59253%0.531SS*.EExtended strand (participates in β ladder)trans-101.2106170.5-74.8160.8000108.3R137 P139L126-R137 HydrophobicContact CB-CB 4.46Å; L126-R137 HydrophobicContact CD2-CB 3.93Å; L126-P139 HydrophobicContact CD2-CB 4.24Å
127A77.6Confident77Confident33 Ų33106 Ų10627%0.27355%0.553SS.*EExtended strand (participates in β ladder)trans-85142175.300000110.5R137 M138 L140A127-R137 WeakPolarHBondContact O-CA 3.23Å; A127-M138 PolarHBondContact N-O 3.1Å; A127-M138 PolarHBondContact O-N 2.95Å; A127-L140 HydrophobicContact CB-CD1 3.55Å; A127-L140 HydrophobicContact CB-CG 4.16Å
128L71.5Confident76.5Confident130 Ų130105.3 Ų105.368%0.68155%0.548SS*.EExtended strand (participates in β ladder)trans-88.3118171.6-70.9164.7000108.1A135 R137L128-A135 HydrophobicContact CD2-CB 4.25Å; L128-R137 HydrophobicContact CD2-CG 4.35Å
129S62.8Low76.2Confident28 Ų28104.2 Ų104.220%0.19655%0.55CS..PPolyproline II helixtrans-71.9130.7173.7-178.90000110.5D131 L136S129-D131 VanDerWaalsContact C-N 3.32Å; S129-D131 PolarHBondContact OG-N 3.01Å; S129-L136 PolarHBondContact N-O 2.95Å
130S60.5Low76.1Confident109 Ų109101.4 Ų101.476%0.76253%0.534SS*.SBendtrans-78.4-14.417544.70000113.8
131D63.1Low76.1Confident133 Ų13396.9 Ų96.971%0.71152%0.516SS*.SBendtrans-103.6-1-155.5-47-28.1000113.5S129S129-D131 VanDerWaalsContact C-N 3.32Å; S129-D131 PolarHBondContact OG-N 3.01Å
132K56Low76Confident143 Ų14392.2 Ų92.262%0.62249%0.491SS*.SBendtrans-133.7128.4173-66.8-172.3-179.8179.20109.6A134 L136K132-A134 CarbonylContact O-C 3.2Å; K132-A134 PolarHBondContact O-N 3.21Å; K132-A134 VanDerWaalsContact O-O 3.07Å; K132-L136 HydrophobicContact CD-CD1 4.41Å
133I58.4Low76.1Confident190 Ų19085.4 Ų85.497%0.97447%0.467SS*.SBendtrans-57-14-178.3-67.2171.3000112.9
134A56.8Low76.1Confident68 Ų6884.5 Ų84.556%0.56246%0.462SS*.SBendtrans-96109.5160.100000109.4K132 L136K132-A134 CarbonylContact O-C 3.2Å; K132-A134 PolarHBondContact O-N 3.21Å; K132-A134 VanDerWaalsContact O-O 3.07Å; A134-L136 VanDerWaalsContact C-N 3.32Å; A134-L136 PolarHBondContact O-N 2.81Å
135A56.1Low76.3Confident72 Ų7282 Ų8260%0.59545%0.445SS*.  trans-57.887.9177.700000111.8L128 R137L128-A135 HydrophobicContact CD2-CB 4.25Å; A135-R137 PolarHBondContact O-N 3.32Å
136L60.5Low76.6Confident97 Ų9780.9 Ų80.951%0.50844%0.444SS..  trans-75.2116.3173-94136.7000108.2S129 K132 A134 M138S129-L136 PolarHBondContact N-O 2.95Å; K132-L136 HydrophobicContact CD-CD1 4.41Å; A134-L136 VanDerWaalsContact C-N 3.32Å; A134-L136 PolarHBondContact O-N 2.81Å; L136-M138 PolarHBondContact O-N 2.75Å
137R69.1Low76.8Confident182 Ų18276.4 Ų76.469%0.68742%0.421SS*.EExtended strand (participates in β ladder)trans-74.2103.4169.3-62.1-179.6179.3179.6-1107.6L126 A127 L128 A135L126-R137 HydrophobicContact CB-CB 4.46Å; L126-R137 HydrophobicContact CD2-CB 3.93Å; A127-R137 WeakPolarHBondContact O-CA 3.23Å; L128-R137 HydrophobicContact CD2-CG 4.35Å; A135-R137 PolarHBondContact O-N 3.32Å
138M78.8Confident77.3Confident86 Ų8678.7 Ų78.742%0.42443%0.425SS..EExtended strand (participates in β ladder)trans-93.5122.7177.6-62.5-170.9-54.700109.1A127 L136 L140A127-M138 PolarHBondContact N-O 3.1Å; A127-M138 PolarHBondContact O-N 2.95Å; L136-M138 PolarHBondContact O-N 2.75Å; M138-L140 PolarHBondContact O-N 3.4Å
139P85.4Confident77.9Confident79 Ų7974 Ų7451%0.51340%0.4SS..EExtended strand (participates in β ladder)trans-71.5126.6173.428.9-31.7000109.7V124 K125 L126V124-P139 HydrophobicContact CG1-CB 4.43Å; K125-P139 CarbonylContact O-C 3.57Å; K125-P139 WeakPolarHBondContact O-CA 3.43Å; L126-P139 HydrophobicContact CD2-CB 4.24Å
140L90.8Very high78.6Confident29 Ų2979.9 Ų79.915%0.15243%0.428CS..EExtended strand (participates in β ladder)trans-120.3143174.5-62.2178.9000109.3V124 K125 A127 M138 E159V124-L140 CarbonylContact C-O 3.51Å; V124-L140 WeakPolarHBondContact CA-O 3.49Å; K125-L140 PolarHBondContact N-O 3.36Å; K125-L140 PolarHBondContact O-N 3.39Å; A127-L140 HydrophobicContact CB-CD1 3.55Å; A127-L140 HydrophobicContact CB-CG 4.16Å; M138-L140 PolarHBondContact O-N 3.4Å; L140-E159 HydrophobicContact CB-CG 4.03Å; L140-E159 HydrophobicContact CD1-CG 4.1Å; L140-E159 VanDerWaalsContact CD1-OE1 3.32Å; L140-E159 WeakPolarHBondContact CD1-OE1 3.32Å
141L94.4Very high79.4Confident20 Ų2077.3 Ų77.311%0.10542%0.419CS..EExtended strand (participates in β ladder)trans-93.8133.1169.5-174.779.7000108.6W122 V124 L143 E159 M160 L165W122-L141 HydrophobicContact CB-CD1 4.07Å; W122-L141 HydrophobicContact CD2-CD1 4.27Å; W122-L141 HydrophobicContact CE3-CD1 3.65Å; W122-L141 HydrophobicContact CG-CD1 4.47Å; W122-L141 HydrophobicContact CZ3-CD1 4.5Å; V124-L141 HydrophobicContact CG2-CD1 3.73Å; L141-L143 HydrophobicContact CD2-CB 4.45Å; L141-E159 CarbonylContact O-C 3.51Å; L141-E159 VanDerWaalsContact O-CA 3.29Å; L141-E159 WeakPolarHBondContact O-CA 3.29Å; L141-M160 HydrophobicContact CB-CG 3.94Å; L141-M160 HydrophobicContact CD2-CG 4.18Å; L141-M160 HydrophobicContact CD2-SD 4.06Å; L141-M160 PolarHBondContact N-O 3.4Å; L141-M160 PolarHBondContact O-N 3.05Å; L141-L165 HydrophobicContact CD2-CD1 3.69Å; L141-L165 HydrophobicContact CD2-CD2 3.9Å; L141-L165 HydrophobicContact CD2-CG 4.29Å
142S95.4Very high80.4Confident9 Ų977.6 Ų77.66%0.06342%0.416CS..EExtended strand (participates in β ladder)trans-108.1115.9164.5176.40000107.8W122 Q123 H144 I158W122-S142 CarbonylContact C-O 3.54Å; W122-S142 VanDerWaalsContact CA-O 3.31Å; W122-S142 WeakPolarHBondContact CA-O 3.22Å; Q123-S142 PolarHBondContact N-O 3.43Å; Q123-S142 PolarHBondContact O-N 2.93Å; S142-H144 PolarHBondContact OG-NE2 3.4Å; S142-I158 CarbonylContact C-O 3.55Å; S142-I158 WeakPolarHBondContact CA-O 3.22Å
143L96.4Very high82Confident19 Ų1974.7 Ų74.710%0.09941%0.411CS..EExtended strand (participates in β ladder)trans-104.3128179.3179.266.4000108.7F120 W122 L141 L145 S157 I158 L168F120-L143 HydrophobicContact CD2-CD1 4.15Å; W122-L143 HydrophobicContact CB-CD1 4.22Å; L141-L143 HydrophobicContact CD2-CB 4.45Å; L143-L145 HydrophobicContact CD1-CD2 4.01Å; L143-L145 HydrophobicContact CD2-CD2 3.97Å; L143-L145 HydrophobicContact CD2-CG 4.37Å; L143-L145 HydrophobicContact CG-CD2 3.81Å; L143-L145 HydrophobicContact CG-CG 4.21Å; L143-S157 CarbonylContact O-C 3.58Å; L143-S157 WeakPolarHBondContact O-CA 3.4Å; L143-I158 PolarHBondContact N-O 3.18Å; L143-I158 PolarHBondContact O-N 3.18Å; L143-L168 HydrophobicContact CD2-CD2 4.18Å
144H96.6Very high83.7Confident60 Ų6069.5 Ų69.528%0.27838%0.381SS..EExtended strand (participates in β ladder)trans-110.7131.5174.8-61.3-71.1000108.5F120 D121 Q123 S142 Y156 S157F120-H144 CarbonylContact C-O 3.56Å; F120-H144 WeakPolarHBondContact CA-O 3.2Å; F120-H144 WeakPolarHBondContact CB-O 3.1Å; D121-H144 HydrophobicContact CB-CB 4.28Å; D121-H144 PolarHBondContact N-O 3.3Å; D121-H144 PolarHBondContact O-N 3.34Å; Q123-H144 PolarHBondContact NE2-NE2 2.96Å; Q123-H144 VanDerWaalsContact NE2-NE2 3.12Å; S142-H144 PolarHBondContact OG-NE2 3.4Å; H144-Y156 CarbonylContact C-O 3.5Å; H144-Y156 WeakPolarHBondContact CA-O 3.38Å; H144-S157 PolarHBondContact CE1-OG 3.25Å; H144-S157 PolarHBondContact ND1-OG 2.92Å
145L96.1Very high85.5Confident37 Ų3770.9 Ų70.919%0.19438%0.384CS..EExtended strand (participates in β ladder)trans-127126.7-179.4-55.1179.2000108.9L117 F120 L143 V147 P155 Y156 I158L117-L145 HydrophobicContact CD1-CB 3.73Å; L117-L145 HydrophobicContact CD1-CD2 3.87Å; L117-L145 HydrophobicContact CD1-CG 4.25Å; F120-L145 HydrophobicContact CB-CD2 3.61Å; L143-L145 HydrophobicContact CD1-CD2 4.01Å; L143-L145 HydrophobicContact CD2-CD2 3.97Å; L143-L145 HydrophobicContact CD2-CG 4.37Å; L143-L145 HydrophobicContact CG-CD2 3.81Å; L143-L145 HydrophobicContact CG-CG 4.21Å; L145-V147 HydrophobicContact CB-CG2 4.21Å; L145-P155 CarbonylContact O-C 3.53Å; L145-P155 WeakPolarHBondContact O-CA 3.39Å; L145-Y156 PolarHBondContact N-O 2.64Å; L145-Y156 PolarHBondContact O-N 3.2Å; L145-I158 HydrophobicContact CD1-CD1 4.45Å
146D95.2Very high87.3Confident62 Ų6272 Ų7233%0.33237%0.374SS..EExtended strand (participates in β ladder)trans-97.2112.5169.6-79.8-18.5000109Q118 D119 V153Q118-D146 WeakPolarHBondContact CB-O 3.42Å; Q118-D146 PolarHBondContact N-O 3.25Å; D119-D146 HydrophobicContact CB-CB 4.2Å; D119-D146 PolarHBondContact N-O 3.03Å; D119-D146 PolarHBondContact O-N 2.94Å; D146-V153 HydrophobicContact CB-CG1 3.77Å
147V92Very high88.9Confident18 Ų1871.2 Ų71.211%0.10938%0.376CS..EExtended strand (participates in β ladder)trans-115.6121.9-174.6-176.20000109.5A115 Q116 L117 L145 E149 K154 Y156A115-V147 HydrophobicContact CB-CG1 3.85Å; Q116-V147 CarbonylContact O-C 3.58Å; Q116-V147 WeakPolarHBondContact O-CA 3.46Å; L117-V147 HydrophobicContact CD1-CG2 4.1Å; L145-V147 HydrophobicContact CB-CG2 4.21Å; V147-E149 HydrophobicContact CG1-CG 3.92Å; V147-E149 PolarHBondContact O-N 3.03Å; V147-K154 PolarHBondContact N-O 3Å; V147-K154 PolarHBondContact O-N 3.3Å; V147-Y156 HydrophobicContact CB-CD2 3.96Å; V147-Y156 HydrophobicContact CB-CE2 3.84Å; V147-Y156 HydrophobicContact CG2-CD2 3.69Å; V147-Y156 HydrophobicContact CG2-CE2 4.02Å
148K87.3Confident90.1Very high81 Ų8166.1 Ų66.135%0.35236%0.362SS..EExtended strand (participates in β ladder)trans-78.6114.3172.1-172.6176.8-177176.20109.9A115 Q116 Q118 E152 V153A115-K148 CarbonylContact C-O 3.58Å; A115-K148 WeakPolarHBondContact CA-O 3.4Å; Q116-K148 PolarHBondContact N-O 3.38Å; Q116-K148 PolarHBondContact O-N 3.4Å; Q118-K148 HydrophobicContact CG-CB 3.7Å; K148-E152 CarbonylContact C-O 3.55Å; K148-E152 VanDerWaalsContact CA-O 3.29Å; K148-E152 WeakPolarHBondContact CA-O 3.23Å; K148-V153 HydrophobicContact CB-CG2 4.39Å
149E84.8Confident90.8Very high33 Ų3367.5 Ų67.515%0.15437%0.367CS..EExtended strand (participates in β ladder)trans-123.8126.9177-63-178.7-178.400109.7S114 A115 V147 G151 E152 K154 Y156S114-E149 VanDerWaalsContact O-CA 3.28Å; S114-E149 WeakPolarHBondContact O-CA 3.49Å; S114-E149 WeakPolarHBondContact O-CB 3.35Å; A115-E149 HydrophobicContact CB-CG 3.81Å; V147-E149 HydrophobicContact CG1-CG 3.92Å; V147-E149 PolarHBondContact O-N 3.03Å; E149-G151 PolarHBondContact O-N 3.25Å; E149-E152 PolarHBondContact N-O 3.43Å; E149-E152 PolarHBondContact O-N 2.96Å; E149-K154 WeakPolarHBondContact OE2-CD 3.37Å; E149-K154 WeakPolarHBondContact OE2-CE 3.18Å; E149-K154 IonicContact OE2-NZ 4Å; E149-K154 PolarHBondContact OE2-NZ 2.84Å; E149-Y156 VanDerWaalsContact CD-OH 3.31Å; E149-Y156 WeakPolarHBondContact OE1-CE2 3Å; E149-Y156 PolarHBondContact OE1-OH 3.01Å; E149-Y156 PolarHBondContact OE2-OH 3.11Å
150N77.9Confident91.2Very high150 Ų15064.3 Ų64.380%0.80235%0.346SS*.THydrogen-bonded Turntrans51.230.1179.1-57-34.6000114.3
151G75.9Confident91.3Very high55 Ų5564.6 Ų64.657%0.56735%0.35SS*.THydrogen-bonded Turntrans94.5-15.9-179.700000115.5E149E149-G151 PolarHBondContact O-N 3.25Å
152E84.9Confident91.1Very high139 Ų13973.6 Ų73.665%0.6538%0.383SS*.EExtended strand (participates in β ladder)trans-102.1142.7179.2-66.8-174.5164.300111.6K148 E149K148-E152 CarbonylContact C-O 3.55Å; K148-E152 VanDerWaalsContact CA-O 3.29Å; K148-E152 WeakPolarHBondContact CA-O 3.23Å; E149-E152 PolarHBondContact N-O 3.43Å; E149-E152 PolarHBondContact O-N 2.96Å
153V89.5Confident91Very high83 Ų8380 Ų8050%0.50341%0.412SS..EExtended strand (participates in β ladder)trans-88.8120175.3-178.30000109Q118 D146 K148Q118-V153 HydrophobicContact CG-CG2 4.48Å; D146-V153 HydrophobicContact CB-CG1 3.77Å; K148-V153 HydrophobicContact CB-CG2 4.39Å
154K93.4Very high90.8Very high80 Ų8084.3 Ų84.335%0.34843%0.431SS..EExtended strand (participates in β ladder)trans-111130177.1-65.5-173.9-168.3162.10110.9V147 E149 Y156V147-K154 PolarHBondContact N-O 3Å; V147-K154 PolarHBondContact O-N 3.3Å; E149-K154 WeakPolarHBondContact OE2-CD 3.37Å; E149-K154 WeakPolarHBondContact OE2-CE 3.18Å; E149-K154 IonicContact OE2-NZ 4Å; E149-K154 PolarHBondContact OE2-NZ 2.84Å; K154-Y156 HydrophobicContact CB-CE2 4.04Å
155P94.8Very high90.7Very high98 Ų9883.8 Ų83.864%0.63643%0.43SS*.EExtended strand (participates in β ladder)trans-83.5134.7176.132.4-33.2000111.2L145L145-P155 CarbonylContact O-C 3.53Å; L145-P155 WeakPolarHBondContact O-CA 3.39Å
156Y93.8Very high90.7Very high95 Ų9585.9 Ų85.937%0.37344%0.439SS..EExtended strand (participates in β ladder)trans-119.3141171.7-67.5-85.8000109.6H144 L145 V147 E149 K154H144-Y156 CarbonylContact C-O 3.5Å; H144-Y156 WeakPolarHBondContact CA-O 3.38Å; L145-Y156 PolarHBondContact N-O 2.64Å; L145-Y156 PolarHBondContact O-N 3.2Å; V147-Y156 HydrophobicContact CB-CD2 3.96Å; V147-Y156 HydrophobicContact CB-CE2 3.84Å; V147-Y156 HydrophobicContact CG2-CD2 3.69Å; V147-Y156 HydrophobicContact CG2-CE2 4.02Å; E149-Y156 VanDerWaalsContact CD-OH 3.31Å; E149-Y156 WeakPolarHBondContact OE1-CE2 3Å; E149-Y156 PolarHBondContact OE1-OH 3.01Å; E149-Y156 PolarHBondContact OE2-OH 3.11Å; K154-Y156 HydrophobicContact CB-CE2 4.04Å
157S94.4Very high90.8Very high81 Ų8187.2 Ų87.257%0.56645%0.446SS*.EExtended strand (participates in β ladder)trans-131.9127.6179.7-61.30000110.2L143 H144L143-S157 CarbonylContact O-C 3.58Å; L143-S157 WeakPolarHBondContact O-CA 3.4Å; H144-S157 PolarHBondContact CE1-OG 3.25Å; H144-S157 PolarHBondContact ND1-OG 2.92Å
158I94.3Very high90.9Very high74 Ų7489.2 Ų89.238%0.37946%0.456SS..EExtended strand (participates in β ladder)trans-127.7131.7-177.4-53.5167000107.8S142 L143 L145 M160S142-I158 CarbonylContact C-O 3.55Å; S142-I158 WeakPolarHBondContact CA-O 3.22Å; L143-I158 PolarHBondContact N-O 3.18Å; L143-I158 PolarHBondContact O-N 3.18Å; L145-I158 HydrophobicContact CD1-CD1 4.45Å; I158-M160 HydrophobicContact CB-CE 4.36Å; I158-M160 HydrophobicContact CG2-CE 3.64Å
159E93.8Very high91.3Very high115 Ų11588.3 Ų88.354%0.53745%0.454SS..EExtended strand (participates in β ladder)trans-104.6135.3168.9-169.3168.989.400109L140 L141L140-E159 HydrophobicContact CB-CG 4.03Å; L140-E159 HydrophobicContact CD1-CG 4.1Å; L140-E159 VanDerWaalsContact CD1-OE1 3.32Å; L140-E159 WeakPolarHBondContact CD1-OE1 3.32Å; L141-E159 CarbonylContact O-C 3.51Å; L141-E159 VanDerWaalsContact O-CA 3.29Å; L141-E159 WeakPolarHBondContact O-CA 3.29Å
160M93.6Very high91.8Very high13 Ų1391.2 Ų91.26%0.06447%0.468CS..EExtended strand (participates in β ladder)trans-146.8146.6-17558.1-177.351.600112.5L141 I158 E164 L165 L168L141-M160 HydrophobicContact CB-CG 3.94Å; L141-M160 HydrophobicContact CD2-CG 4.18Å; L141-M160 HydrophobicContact CD2-SD 4.06Å; L141-M160 PolarHBondContact N-O 3.4Å; L141-M160 PolarHBondContact O-N 3.05Å; I158-M160 HydrophobicContact CB-CE 4.36Å; I158-M160 HydrophobicContact CG2-CE 3.64Å; M160-E164 HydrophobicContact CB-CB 3.82Å; M160-L165 HydrophobicContact CG-CB 4.27Å; M160-L165 HydrophobicContact SD-CB 3.74Å; M160-L165 HydrophobicContact SD-CD1 3.76Å; M160-L165 HydrophobicContact SD-CG 4.36Å; M160-L168 HydrophobicContact CE-CD2 3.91Å; M160-L168 HydrophobicContact SD-CD2 4.27Å
161S92.3Very high92.7Very high34 Ų3487.8 Ų87.824%0.23846%0.456CS..  trans-70.1168.516767.20000111.4E163 E164 L165S161-E163 PolarHBondContact O-N 3.09Å; S161-E164 WeakPolarHBondContact CB-OE2 3.33Å; S161-E164 PolarHBondContact N-OE2 3.23Å; S161-E164 PolarHBondContact O-N 3.43Å; S161-E164 WeakPolarHBondContact OG-CG 3.35Å; S161-E164 PolarHBondContact OG-N 3.07Å; S161-E164 PolarHBondContact OG-OE2 3.17Å; S161-L165 PolarHBondContact O-N 3.21Å
162R90.2Very high93.5Very high209 Ų20990.4 Ų90.479%0.78946%0.456SS*.Hα-helixtrans-56.8-37.8173.3-177-178.2179-152.4-0.7112.5Q166R162-Q166 WeakPolarHBondContact O-CB 3.42Å; R162-Q166 PolarHBondContact O-N 3.41Å
163E93.1Very high94Very high145 Ų14588.5 Ų88.568%0.67845%0.447SS*.Hα-helixtrans-69.3-45.3-178.2-174.3175.1177.800111.2S161 L165 Q166 N167S161-E163 PolarHBondContact O-N 3.09Å; E163-L165 PolarHBondContact O-N 2.95Å; E163-Q166 PolarHBondContact O-N 3.09Å; E163-N167 PolarHBondContact O-N 3.01Å; E163-N167 PolarHBondContact O-ND2 2.93Å
164E93.9Very high94.2Very high108 Ų10887.1 Ų87.151%0.50545%0.445SS..Hα-helixtrans-62.9-40.7175.9-72.7161.913900112.1M160 S161 Q166 N167 L168M160-E164 HydrophobicContact CB-CB 3.82Å; S161-E164 WeakPolarHBondContact CB-OE2 3.33Å; S161-E164 PolarHBondContact N-OE2 3.23Å; S161-E164 PolarHBondContact O-N 3.43Å; S161-E164 WeakPolarHBondContact OG-CG 3.35Å; S161-E164 PolarHBondContact OG-N 3.07Å; S161-E164 PolarHBondContact OG-OE2 3.17Å; E164-Q166 PolarHBondContact O-N 3.27Å; E164-N167 PolarHBondContact O-N 3.19Å; E164-L168 PolarHBondContact O-N 3.25Å
165L94.2Very high94Very high50 Ų5086 Ų8626%0.26245%0.45SS..Hα-helixtrans-60.6-45.2173.4176.161.5000111.8L141 M160 S161 E163 N167 L168 I169L141-L165 HydrophobicContact CD2-CD1 3.69Å; L141-L165 HydrophobicContact CD2-CD2 3.9Å; L141-L165 HydrophobicContact CD2-CG 4.29Å; M160-L165 HydrophobicContact CG-CB 4.27Å; M160-L165 HydrophobicContact SD-CB 3.74Å; M160-L165 HydrophobicContact SD-CD1 3.76Å; M160-L165 HydrophobicContact SD-CG 4.36Å; S161-L165 PolarHBondContact O-N 3.21Å; E163-L165 PolarHBondContact O-N 2.95Å; L165-N167 VanDerWaalsContact C-N 3.28Å; L165-N167 PolarHBondContact O-N 3.26Å; L165-L168 PolarHBondContact O-N 3.37Å; L165-I169 HydrophobicContact CD1-CD1 4.08Å; L165-I169 HydrophobicContact CD1-CG1 4.28Å; L165-I169 HydrophobicContact CG-CD1 4Å; L165-I169 WeakPolarHBondContact O-CG1 3.35Å; L165-I169 PolarHBondContact O-N 3.32Å
166Q95.8Very high93.6Very high81 Ų8185.6 Ų85.638%0.37944%0.442SS..Hα-helixtrans-61.7-40.7178.8-171.96549.300110.9R162 E163 E164 I169 H170R162-Q166 WeakPolarHBondContact O-CB 3.42Å; R162-Q166 PolarHBondContact O-N 3.41Å; E163-Q166 PolarHBondContact O-N 3.09Å; E164-Q166 PolarHBondContact O-N 3.27Å; Q166-I169 PolarHBondContact O-N 3.45Å; Q166-H170 VanDerWaalsContact CG-CE1 3.44Å; Q166-H170 WeakPolarHBondContact CG-CE1 3.48Å; Q166-H170 PolarHBondContact NE2-CE1 3.45Å; Q166-H170 PolarHBondContact NE2-NE2 3.26Å; Q166-H170 VanDerWaalsContact NE2-NE2 3.14Å; Q166-H170 VanDerWaalsContact O-CG 3.3Å; Q166-H170 PolarHBondContact O-N 3.36Å; Q166-H170 PolarHBondContact O-ND1 2.98Å
167N96.1Very high93.5Very high89 Ų8987.4 Ų87.448%0.47645%0.452SS..Hα-helixtrans-63.8-43.5175.3-69.6-24.2000111.9E163 E164 L165 I169 H170 S171E163-N167 PolarHBondContact O-N 3.01Å; E163-N167 PolarHBondContact O-ND2 2.93Å; E164-N167 PolarHBondContact O-N 3.19Å; L165-N167 VanDerWaalsContact C-N 3.28Å; L165-N167 PolarHBondContact O-N 3.26Å; N167-I169 PolarHBondContact O-N 3.44Å; N167-H170 PolarHBondContact O-N 2.86Å; N167-S171 PolarHBondContact O-N 3.26Å; N167-S171 PolarHBondContact O-OG 3.26Å
168L94.8Very high93.1Very high61 Ų6187.4 Ų87.432%0.31945%0.448SS..Hα-helixtrans-58.4-47.3175.2176.963.2000111.6L143 M160 E164 L165 H170 S171 L172L143-L168 HydrophobicContact CD2-CD2 4.18Å; M160-L168 HydrophobicContact CE-CD2 3.91Å; M160-L168 HydrophobicContact SD-CD2 4.27Å; E164-L168 PolarHBondContact O-N 3.25Å; L165-L168 PolarHBondContact O-N 3.37Å; L168-H170 PolarHBondContact O-N 3.18Å; L168-S171 PolarHBondContact O-N 3.25Å; L168-L172 HydrophobicContact CD1-CD1 4.26Å; L168-L172 HydrophobicContact CD1-CG 4.3Å; L168-L172 HydrophobicContact CG-CD1 4.16Å; L168-L172 WeakPolarHBondContact O-CG 3.36Å; L168-L172 PolarHBondContact O-N 2.94Å
169I95.6Very high92.4Very high62 Ų6287.5 Ų87.532%0.31845%0.452SS..Hα-helixtrans-59.4-47.8178.3-68.6167.9000110.4L165 Q166 N167 S171 L172 E173L165-I169 HydrophobicContact CD1-CD1 4.08Å; L165-I169 HydrophobicContact CD1-CG1 4.28Å; L165-I169 HydrophobicContact CG-CD1 4Å; L165-I169 WeakPolarHBondContact O-CG1 3.35Å; L165-I169 PolarHBondContact O-N 3.32Å; Q166-I169 PolarHBondContact O-N 3.45Å; N167-I169 PolarHBondContact O-N 3.44Å; I169-S171 VanDerWaalsContact C-N 3.31Å; I169-S171 PolarHBondContact O-N 3.37Å; I169-L172 PolarHBondContact O-N 2.91Å; I169-E173 HydrophobicContact CG2-CG 4.27Å; I169-E173 WeakPolarHBondContact O-CG 3.5Å; I169-E173 PolarHBondContact O-N 3.16Å
170H96Very high91.6Very high94 Ų9486.4 Ų86.444%0.43545%0.45SS..Hα-helixtrans-60.1-40.2178.1-69.6136.5000112.6Q166 N167 L168 E173 A174Q166-H170 VanDerWaalsContact CG-CE1 3.44Å; Q166-H170 WeakPolarHBondContact CG-CE1 3.48Å; Q166-H170 PolarHBondContact NE2-CE1 3.45Å; Q166-H170 PolarHBondContact NE2-NE2 3.26Å; Q166-H170 VanDerWaalsContact NE2-NE2 3.14Å; Q166-H170 VanDerWaalsContact O-CG 3.3Å; Q166-H170 PolarHBondContact O-N 3.36Å; Q166-H170 PolarHBondContact O-ND1 2.98Å; N167-H170 PolarHBondContact O-N 2.86Å; L168-H170 PolarHBondContact O-N 3.18Å; H170-E173 IonicContact CD2-OE2 2.72Å; H170-E173 PolarHBondContact O-N 3.22Å; H170-A174 WeakPolarHBondContact O-CB 3.35Å; H170-A174 PolarHBondContact O-N 3.19Å
171S95.4Very high90.8Very high78 Ų7893.4 Ų93.455%0.54548%0.482SS..Hα-helixtrans-63.2-43.5175.3-65.20000112.1N167 L168 I169 A174 A175N167-S171 PolarHBondContact O-N 3.26Å; N167-S171 PolarHBondContact O-OG 3.26Å; L168-S171 PolarHBondContact O-N 3.25Å; I169-S171 VanDerWaalsContact C-N 3.31Å; I169-S171 PolarHBondContact O-N 3.37Å; S171-A174 PolarHBondContact O-N 3.03Å; S171-A175 PolarHBondContact O-N 3.13Å
172L94Very high89.6Confident110 Ų11098.7 Ų98.758%0.57651%0.507SS*.Hα-helixtrans-66.2-41177.6-68.7174.3000112.2L168 I169 A175 N176L168-L172 HydrophobicContact CD1-CD1 4.26Å; L168-L172 HydrophobicContact CD1-CG 4.3Å; L168-L172 HydrophobicContact CG-CD1 4.16Å; L168-L172 WeakPolarHBondContact O-CG 3.36Å; L168-L172 PolarHBondContact O-N 2.94Å; I169-L172 PolarHBondContact O-N 2.91Å; L172-A175 PolarHBondContact O-N 2.7Å; L172-N176 WeakPolarHBondContact O-CB 3.22Å; L172-N176 PolarHBondContact O-N 3.34Å
173E94.7Very high87.6Confident98 Ų9899 Ų9946%0.45851%0.514SS..Hα-helixtrans-63.6-42.6175.5-74179.3167.100112.2I169 H170 N176 K177I169-E173 HydrophobicContact CG2-CG 4.27Å; I169-E173 WeakPolarHBondContact O-CG 3.5Å; I169-E173 PolarHBondContact O-N 3.16Å; H170-E173 IonicContact CD2-OE2 2.72Å; H170-E173 PolarHBondContact O-N 3.22Å; E173-N176 PolarHBondContact O-N 2.97Å; E173-K177 WeakPolarHBondContact O-CG 3.5Å; E173-K177 PolarHBondContact O-N 2.96Å
174A94.2Very high87.3Confident55 Ų5596.8 Ų96.846%0.45551%0.506SS..Hα-helixtrans-62.4-44.717600000111.4H170 S171 K177 V178H170-A174 WeakPolarHBondContact O-CB 3.35Å; H170-A174 PolarHBondContact O-N 3.19Å; S171-A174 PolarHBondContact O-N 3.03Å; A174-K177 PolarHBondContact O-N 2.84Å; A174-V178 PolarHBondContact O-N 2.95Å
175A88.4Confident87Confident55 Ų5596.2 Ų96.246%0.45551%0.506SS..Hα-helixtrans-60.8-44.9174.300000111.7S171 L172 K177 V178 V179S171-A175 PolarHBondContact O-N 3.13Å; L172-A175 PolarHBondContact O-N 2.7Å; A175-K177 VanDerWaalsContact C-N 3.32Å; A175-K177 PolarHBondContact O-N 2.98Å; A175-V178 PolarHBondContact O-N 3.03Å; A175-V178 VanDerWaalsContact O-N 3.16Å; A175-V179 WeakPolarHBondContact O-CG2 3.28Å; A175-V179 PolarHBondContact O-N 3.41Å; A175-V179 VanDerWaalsContact O-N 3.08Å
176N87.4Confident86.6Confident90 Ų9098.7 Ų98.748%0.48152%0.52SS..Hα-helixtrans-61.8-37.8178.8-172.339.3000112.5L172 E173 V178 V179 L180L172-N176 WeakPolarHBondContact O-CB 3.22Å; L172-N176 PolarHBondContact O-N 3.34Å; E173-N176 PolarHBondContact O-N 2.97Å; N176-V178 VanDerWaalsContact C-N 3.33Å; N176-V178 PolarHBondContact O-N 2.91Å; N176-V179 PolarHBondContact O-N 2.96Å; N176-L180 WeakPolarHBondContact O-CG 3.42Å; N176-L180 PolarHBondContact O-N 3.47Å
177K91.1Very high86Confident134 Ų13499.8 Ų99.858%0.58353%0.528SS*.Hα-helixtrans-59.2-42.7174.6-74.4173.7-173.5174.10112E173 A174 A175 L180 Q181E173-K177 WeakPolarHBondContact O-CG 3.5Å; E173-K177 PolarHBondContact O-N 2.96Å; A174-K177 PolarHBondContact O-N 2.84Å; A175-K177 VanDerWaalsContact C-N 3.32Å; A175-K177 PolarHBondContact O-N 2.98Å; K177-L180 PolarHBondContact O-N 3.21Å; K177-Q181 WeakPolarHBondContact O-CG 3.32Å; K177-Q181 PolarHBondContact O-N 2.85Å
178V86.9Confident85.4Confident80 Ų80100.4 Ų100.449%0.48553%0.531SS..Hα-helixtrans-64-44176.4178.10000110.7A174 A175 N176 L180 Q181 L182A174-V178 PolarHBondContact O-N 2.95Å; A175-V178 PolarHBondContact O-N 3.03Å; A175-V178 VanDerWaalsContact O-N 3.16Å; N176-V178 VanDerWaalsContact C-N 3.33Å; N176-V178 PolarHBondContact O-N 2.91Å; V178-L180 VanDerWaalsContact C-N 3.3Å; V178-L180 PolarHBondContact O-N 2.8Å; V178-Q181 PolarHBondContact O-N 2.77Å; V178-Q181 VanDerWaalsContact O-N 3.16Å; V178-L182 HydrophobicContact CG1-CD1 4.24Å; V178-L182 WeakPolarHBondContact O-CG 3.37Å; V178-L182 PolarHBondContact O-N 2.61Å
179V79.2Confident84.8Confident76 Ų76103.1 Ų103.146%0.46155%0.546SS..Hα-helixtrans-60.6-39.5177.6176.70000111.8A175 N176 Q181 L182 K183A175-V179 WeakPolarHBondContact O-CG2 3.28Å; A175-V179 PolarHBondContact O-N 3.41Å; A175-V179 VanDerWaalsContact O-N 3.08Å; N176-V179 PolarHBondContact O-N 2.96Å; V179-Q181 VanDerWaalsContact C-N 3.33Å; V179-Q181 PolarHBondContact O-N 2.83Å; V179-L182 PolarHBondContact O-N 3.32Å; V179-K183 PolarHBondContact O-N 3.35Å
180L77.6Confident84Confident93 Ų93106 Ų10649%0.48756%0.562SS.*Hα-helixtrans-68.9-28.8177.8-70.9173.3000113.3N176 K177 V178 L182 K183N176-L180 WeakPolarHBondContact O-CG 3.42Å; N176-L180 PolarHBondContact O-N 3.47Å; K177-L180 PolarHBondContact O-N 3.21Å; V178-L180 VanDerWaalsContact C-N 3.3Å; V178-L180 PolarHBondContact O-N 2.8Å; L180-L182 VanDerWaalsContact C-N 3.3Å; L180-K183 HydrophobicContact CD2-CD 4.43Å
181Q76.2Confident83.1Confident159 Ų159106.9 Ų106.974%0.74357%0.572SS**Hα-helixtrans-75.3-20.2175-71.1174.7-7.400113.2K177 V178 V179K177-Q181 WeakPolarHBondContact O-CG 3.32Å; K177-Q181 PolarHBondContact O-N 2.85Å; V178-Q181 PolarHBondContact O-N 2.77Å; V178-Q181 VanDerWaalsContact O-N 3.16Å; V179-Q181 VanDerWaalsContact C-N 3.33Å; V179-Q181 PolarHBondContact O-N 2.83Å
182L66Low82.1Confident146 Ų146109.3 Ų109.376%0.76457%0.574SS**THydrogen-bonded Turntrans-89.7-7.3177.2-65.7171.6000113.2V178 V179 L180V178-L182 HydrophobicContact CG1-CD1 4.24Å; V178-L182 WeakPolarHBondContact O-CG 3.37Å; V178-L182 PolarHBondContact O-N 2.61Å; V179-L182 PolarHBondContact O-N 3.32Å; L180-L182 VanDerWaalsContact C-N 3.3Å
183K49.2Very low81Confident216 Ų216109.3 Ų109.394%0.93957%0.574SS**  trans-87.50174.4-78.3-175.2178.4177.80111.3V179 L180V179-K183 PolarHBondContact O-N 3.35Å; L180-K183 HydrophobicContact CD2-CD 4.43Å

Retrieved 183 of 183 residues in 44.7 ms (Link to these results)

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