A0A077Z9V4_TRITR Loading...

Ras protein Rab 8A

AlphaFold DB , UniProt , Accession A0A077Z9V4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 214 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
1M47.1Very low85.5Confident243 Ų24384 Ų84100%1.19743%0.434SS*.  0125.90-77.6176.2-142.800108.6
2A61.1Low86.3Confident90 Ų9077 Ų7774%0.74440%0.398SS*.  trans-61.7140.2175.500000110.3T4A2-T4 PolarHBondContact O-N 3.29Å
3K73.4Confident87.1Confident181 Ų18171.1 Ų71.179%0.78737%0.368SS*.  trans-60.9122.9172.6-77-175.8176.1-178.90108.4Y5K3-Y5 VanDerWaalsContact C-N 3.26Å; K3-Y5 PolarHBondContact O-N 2.99Å
4T88Confident87.6Confident104 Ų10466 Ų6664%0.63834%0.341SS*.SBendtrans-84.71.9-177.953.30000113.8A2A2-T4 PolarHBondContact O-N 3.29Å
5Y93.5Very high88.1Confident67 Ų6761.6 Ų61.626%0.26332%0.319SS..  trans-145.2150.9-177.759.9-93.3000110.7K3 Y7 L8 K58K3-Y5 VanDerWaalsContact C-N 3.26Å; K3-Y5 PolarHBondContact O-N 2.99Å; Y5-Y7 WeakPolarHBondContact CD2-O 3.32Å; Y5-L8 HydrophobicContact CD2-CB 4.32Å; Y5-L8 HydrophobicContact CE2-CB 3.69Å; Y5-K58 HydrophobicContact CD1-CB 4.2Å; Y5-K58 HydrophobicContact CD1-CD 4.14Å; Y5-K58 HydrophobicContact CD2-CB 4.34Å; Y5-K58 HydrophobicContact CE1-CD 4.13Å; Y5-K58 HydrophobicContact CG-CB 3.98Å
6D94.1Very high88.4Confident77 Ų7759.3 Ų59.341%0.41231%0.307SS..SBendtrans-82.4-39.8175.9-61.4-95.1000111.5K55 K56D6-K55 HydrophobicContact CB-CB 4.18Å; D6-K55 HydrophobicContact CB-CD 3.86Å; D6-K55 VanDerWaalsContact OD1-CD 3.22Å; D6-K55 WeakPolarHBondContact OD1-CD 3.29Å; D6-K55 IonicContact OD1-NZ 2.7Å; D6-K55 PolarHBondContact OD1-NZ 3.02Å; D6-K55 WeakPolarHBondContact OD2-CA 3.18Å; D6-K56 PolarHBondContact N-O 3.36Å; D6-K56 PolarHBondContact OD2-N 3.49Å
7Y96Very high88.6Confident57 Ų5758.5 Ų58.522%0.22431%0.308CS..EExtended strand (participates in β ladder)trans-131.9149.2-177.4-60.6-82000112.2Y5 F9 K55 K56 I57 K58 T173Y5-Y7 WeakPolarHBondContact CD2-O 3.32Å; Y7-F9 HydrophobicContact CD1-CE1 4.12Å; Y7-F9 HydrophobicContact CD1-CZ 4.31Å; Y7-F9 HydrophobicContact CG-CE1 4.13Å; Y7-F9 HydrophobicContact CG-CZ 4.08Å; Y7-K55 HydrophobicContact CD2-CB 4.22Å; Y7-K55 HydrophobicContact CE2-CB 4.11Å; Y7-K55 HydrophobicContact CE2-CD 4.33Å; Y7-K55 HydrophobicContact CE2-CG 4.06Å; Y7-K56 PolarHBondContact N-O 3.48Å; Y7-I57 HydrophobicContact CD2-CG1 4.19Å; Y7-I57 WeakPolarHBondContact O-CA 3.46Å; Y7-K58 PolarHBondContact O-N 3.11Å; Y7-T173 HydrophobicContact CE1-CG2 4.34Å
8L96.1Very high88.9Confident65 Ų6556.7 Ų56.734%0.3431%0.306SS..EExtended strand (participates in β ladder)trans-122.9116.3172.1179.469.2000108Y5 K58 Q60Y5-L8 HydrophobicContact CD2-CB 4.32Å; Y5-L8 HydrophobicContact CE2-CB 3.69Å; L8-K58 CarbonylContact C-O 3.52Å; L8-K58 WeakPolarHBondContact CA-O 3.41Å; L8-K58 HydrophobicContact CD1-CB 3.84Å; L8-K58 HydrophobicContact CD1-CD 3.87Å; L8-K58 HydrophobicContact CD1-CG 3.7Å; L8-Q60 HydrophobicContact CD1-CG 3.81Å
9F97.4Very high89.2Confident2 Ų253.8 Ų53.81%0.00929%0.29CS..EExtended strand (participates in β ladder)trans-114.2131.6179-60.3-23.3000111.2Y7 L11 I57 K58 L59 Q60 M82 A166 I169 K170Y7-F9 HydrophobicContact CD1-CE1 4.12Å; Y7-F9 HydrophobicContact CD1-CZ 4.31Å; Y7-F9 HydrophobicContact CG-CE1 4.13Å; Y7-F9 HydrophobicContact CG-CZ 4.08Å; F9-L11 HydrophobicContact CB-CD2 4.44Å; F9-I57 HydrophobicContact CD2-CG2 3.37Å; F9-I57 HydrophobicContact CE2-CD1 3.8Å; F9-I57 HydrophobicContact CE2-CG2 3.55Å; F9-I57 HydrophobicContact CG-CG2 3.94Å; F9-I57 HydrophobicContact CZ-CD1 4.31Å; F9-I57 HydrophobicContact CZ-CG2 4.23Å; F9-K58 PolarHBondContact N-O 2.77Å; F9-L59 HydrophobicContact CB-CD2 3.91Å; F9-L59 HydrophobicContact CD2-CD2 4.01Å; F9-L59 HydrophobicContact CG-CD2 4.42Å; F9-Q60 PolarHBondContact O-N 3.42Å; F9-M82 HydrophobicContact CB-SD 4.33Å; F9-M82 HydrophobicContact CD1-CE 3.51Å; F9-M82 HydrophobicContact CD1-SD 3.79Å; F9-M82 HydrophobicContact CE1-CE 3.83Å; F9-M82 HydrophobicContact CG-CE 4.49Å; F9-M82 HydrophobicContact CG-SD 4.46Å; F9-A166 HydrophobicContact CD2-CB 4.41Å; F9-A166 WeakPolarHBondContact CE2-O 3.21Å; F9-I169 HydrophobicContact CB-CD1 4.49Å; F9-I169 HydrophobicContact CD1-CG2 3.68Å; F9-I169 HydrophobicContact CD2-CB 4.15Å; F9-I169 HydrophobicContact CD2-CD1 4.36Å; F9-I169 HydrophobicContact CD2-CG2 3.87Å; F9-I169 HydrophobicContact CE1-CG2 3.66Å; F9-I169 HydrophobicContact CE2-CB 4.04Å; F9-I169 HydrophobicContact CE2-CG2 3.84Å; F9-I169 HydrophobicContact CG-CG2 3.81Å; F9-I169 HydrophobicContact CZ-CB 4.35Å; F9-I169 HydrophobicContact CZ-CG2 3.76Å; F9-K170 HydrophobicContact CE2-CB 4.09Å; F9-K170 HydrophobicContact CZ-CB 3.93Å
10K96.6Very high89.5Confident38 Ų3851.7 Ų51.717%0.16528%0.282CS..EExtended strand (participates in β ladder)trans-93.9115.8172.4-178.6175.6170.5-170.80109.6Q60 Y77 R79 M82 G83K10-Q60 CarbonylContact C-O 3.56Å; K10-Q60 WeakPolarHBondContact CA-O 3.38Å; K10-Y77 WeakPolarHBondContact CE-O 3.36Å; K10-Y77 PolarHBondContact NZ-O 3.05Å; K10-Y77 VanDerWaalsContact NZ-O 3.13Å; K10-R79 PolarHBondContact NZ-O 3.3Å; K10-M82 PolarHBondContact O-N 2.74Å; K10-G83 PolarHBondContact O-N 2.86Å
11L97.4Very high89.8Confident0 Ų049.7 Ų49.70%027%0.27CS..EExtended strand (participates in β ladder)trans-110145.1177.8-53.1-172.8000110.6F9 L59 Q60 I61 W62 G83 L85 F162 L165 I169F9-L11 HydrophobicContact CB-CD2 4.44Å; L11-L59 HydrophobicContact CD1-CB 4.48Å; L11-L59 HydrophobicContact CD1-CD1 4.14Å; L11-L59 HydrophobicContact CD1-CD2 4.15Å; L11-L59 HydrophobicContact CD1-CG 4.5Å; L11-Q60 PolarHBondContact N-O 3.18Å; L11-I61 HydrophobicContact CB-CG1 4.34Å; L11-I61 HydrophobicContact CB-CG2 4.42Å; L11-I61 HydrophobicContact CD1-CG1 4.32Å; L11-W62 PolarHBondContact O-N 3.48Å; L11-G83 VanDerWaalsContact CA-O 3.29Å; L11-G83 WeakPolarHBondContact CA-O 3.22Å; L11-L85 HydrophobicContact CB-CD1 4.29Å; L11-F162 HydrophobicContact CD1-CD1 4.09Å; L11-L165 HydrophobicContact CD1-CD2 4.49Å; L11-L165 HydrophobicContact CD2-CD2 4.02Å; L11-L165 HydrophobicContact CD2-CG 4.37Å; L11-I169 HydrophobicContact CD2-CD1 3.4Å; L11-I169 VanDerWaalsContact CD2-CD1 3.4Å
12L95.6Very high92.1Very high0 Ų039.8 Ų39.80%022%0.223CC..EExtended strand (participates in β ladder)trans-124.3131176.7-169.667.9000110.2I14 W62 T64 Y78 A81 G83 I84 L85L12-I14 HydrophobicContact CD2-CG2 3.63Å; L12-I14 HydrophobicContact CG-CG2 3.71Å; L12-W62 HydrophobicContact CD1-CB 3.6Å; L12-T64 HydrophobicContact CD1-CG2 3.48Å; L12-T64 VanDerWaalsContact CD1-CG2 3.48Å; L12-T64 HydrophobicContact CG-CG2 4.2Å; L12-Y78 HydrophobicContact CD2-CD1 3.7Å; L12-Y78 HydrophobicContact CD2-CE1 3.8Å; L12-Y78 HydrophobicContact CD2-CG 4.4Å; L12-A81 HydrophobicContact CB-CB 4.47Å; L12-G83 PolarHBondContact N-O 3.24Å; L12-I84 HydrophobicContact CB-CG1 4.24Å; L12-I84 CarbonylContact O-C 3.59Å; L12-I84 WeakPolarHBondContact O-CA 3.39Å; L12-L85 PolarHBondContact O-N 2.97Å
13L95.7Very high93.7Very high0 Ų037.3 Ų37.30%020%0.2CC..EExtended strand (participates in β ladder)trans-96.2120169.5-74155.4000108.8K21 L25 I61 W62 D63 T64 L85 V87 F162L13-K21 HydrophobicContact CB-CB 4.25Å; L13-K21 HydrophobicContact CB-CD 4.38Å; L13-L25 HydrophobicContact CD1-CB 3.81Å; L13-L25 HydrophobicContact CD1-CD1 4.45Å; L13-L25 HydrophobicContact CD1-CD2 4.49Å; L13-L25 HydrophobicContact CD1-CG 4.48Å; L13-I61 HydrophobicContact CD1-CG2 3.84Å; L13-I61 HydrophobicContact CG-CG2 4.33Å; L13-W62 PolarHBondContact N-O 3.05Å; L13-D63 HydrophobicContact CD1-CB 4.34Å; L13-T64 PolarHBondContact O-OG1 3.48Å; L13-L85 HydrophobicContact CD2-CB 3.69Å; L13-L85 HydrophobicContact CD2-CD1 4.1Å; L13-L85 HydrophobicContact CD2-CD2 4.37Å; L13-L85 HydrophobicContact CD2-CG 4.25Å; L13-L85 HydrophobicContact CG-CD1 4.31Å; L13-V87 HydrophobicContact CD2-CG2 4.1Å; L13-F162 HydrophobicContact CD1-CZ 4.4Å; L13-F162 HydrophobicContact CD2-CZ 4.27Å
14I94.2Very high94.9Very high0 Ų028.7 Ų28.70%016%0.163CC..EExtended strand (participates in β ladder)trans-127.5161.7176.370.8171.5000111.3L12 K21 T74 Y78 I84 L85 L86 V87 W102 I106L12-I14 HydrophobicContact CD2-CG2 3.63Å; L12-I14 HydrophobicContact CG-CG2 3.71Å; I14-K21 VanDerWaalsContact C-CD 3.41Å; I14-T74 HydrophobicContact CG2-CG2 4.35Å; I14-Y78 HydrophobicContact CD1-CE1 4.25Å; I14-Y78 HydrophobicContact CG2-CE1 4.3Å; I14-I84 HydrophobicContact CD1-CG2 3.76Å; I14-I84 HydrophobicContact CG1-CG2 3.76Å; I14-I84 HydrophobicContact CG2-CG2 4.37Å; I14-L85 PolarHBondContact N-O 2.95Å; I14-L86 HydrophobicContact CD1-CD2 4.18Å; I14-L86 HydrophobicContact CD1-CG 4.01Å; I14-L86 HydrophobicContact CG1-CB 4.48Å; I14-L86 HydrophobicContact CG1-CG 4.03Å; I14-V87 PolarHBondContact O-N 2.95Å; I14-W102 HydrophobicContact CB-CE3 4.04Å; I14-W102 HydrophobicContact CB-CZ3 4.26Å; I14-W102 HydrophobicContact CD1-CB 3.99Å; I14-W102 HydrophobicContact CD1-CD2 4.46Å; I14-W102 HydrophobicContact CD1-CE3 3.99Å; I14-W102 HydrophobicContact CG1-CE3 4.36Å; I14-I106 HydrophobicContact CD1-CD1 3.66Å; I14-I106 HydrophobicContact CD1-CG1 3.77Å
15G94.8Very high95.3Very high0 Ų023.8 Ų23.80%013%0.132CC..  trans139.8169.1-175.100000111.5K21 G66 V87 W102G15-K21 PolarHBondContact O-NZ 2.8Å; G15-G66 VanDerWaalsContact O-CA 3.26Å; G15-G66 WeakPolarHBondContact O-CA 3.34Å; G15-V87 WeakPolarHBondContact CA-O 3.32Å; G15-W102 VanDerWaalsContact C-CZ2 3.42Å; G15-W102 WeakPolarHBondContact O-CZ2 3.48Å
16D93.5Very high95.3Very high25 Ų2523.2 Ų23.213%0.13413%0.132CC..  trans-60.3163.6-175.8-78.315.4000113.1V19 K21 N98 W102D16-V19 HydrophobicContact CB-CG1 3.78Å; D16-V19 WeakPolarHBondContact O-CG2 3.45Å; D16-K21 PolarHBondContact O-NZ 3.06Å; D16-N98 PolarHBondContact OD2-ND2 3.42Å; D16-W102 PolarHBondContact OD1-NE1 3.15Å
17S92.1Very high95.4Very high46 Ų4621.4 Ų21.432%0.32212%0.119SC..THydrogen-bonded Turntrans-62.6141.3171.4-168.50000110.4V19 G66S17-V19 VanDerWaalsContact C-N 3.29Å; S17-V19 PolarHBondContact O-N 2.87Å; S17-G66 PolarHBondContact N-O 3.47Å; S17-G66 VanDerWaalsContact N-O 3.07Å
18G92.9Very high95.5Very high26 Ų2618.9 Ų18.927%0.26811%0.109SC..THydrogen-bonded Turntrans81.2-5.7176.300000116.5G20 F37 K122G18-G20 PolarHBondContact O-N 3.23Å; G18-F37 VanDerWaalsContact CA-CE2 3.42Å; G18-K122 WeakPolarHBondContact O-CE 3.48Å; G18-K122 PolarHBondContact O-NZ 3.01Å
19V95.9Very high95.4Very high1 Ų117.1 Ų17.11%0.00610%0.104CC..SBendtrans-71.8-13.1179.7-54.70000113.9D16 S17 K21 V87 D89 N121D16-V19 HydrophobicContact CB-CG1 3.78Å; D16-V19 WeakPolarHBondContact O-CG2 3.45Å; S17-V19 VanDerWaalsContact C-N 3.29Å; S17-V19 PolarHBondContact O-N 2.87Å; V19-K21 HydrophobicContact CG2-CD 4.36Å; V19-K21 HydrophobicContact CG2-CG 3.7Å; V19-V87 HydrophobicContact CB-CG1 4.29Å; V19-V87 HydrophobicContact CG2-CB 3.89Å; V19-V87 HydrophobicContact CG2-CG1 3.81Å; V19-D89 HydrophobicContact CB-CB 4.19Å; V19-D89 HydrophobicContact CG1-CB 4.15Å; V19-N121 PolarHBondContact O-ND2 2.96Å
20G95.7Very high95.2Very high12 Ų1221.6 Ų21.612%0.12413%0.125CC..SBendtrans9823.7174.100000116G18 T22 C23 L24G18-G20 PolarHBondContact O-N 3.23Å; G20-T22 PolarHBondContact O-N 2.86Å; G20-C23 PolarHBondContact O-N 3.37Å; G20-L24 WeakPolarHBondContact O-CG 3.45Å; G20-L24 PolarHBondContact O-N 3.03Å
21K95.7Very high95Very high10 Ų1025.2 Ų25.24%0.04315%0.146CC..Hα-helixtrans-53.2-52175.5-58.8-173.2-59.8-74.30112.8L13 I14 G15 D16 V19 C23 L24 L25 D63 T64 V87L13-K21 HydrophobicContact CB-CB 4.25Å; L13-K21 HydrophobicContact CB-CD 4.38Å; I14-K21 VanDerWaalsContact C-CD 3.41Å; G15-K21 PolarHBondContact O-NZ 2.8Å; D16-K21 PolarHBondContact O-NZ 3.06Å; V19-K21 HydrophobicContact CG2-CD 4.36Å; V19-K21 HydrophobicContact CG2-CG 3.7Å; K21-C23 PolarHBondContact O-N 3.42Å; K21-L24 WeakPolarHBondContact O-CB 3.43Å; K21-L24 PolarHBondContact O-N 3.37Å; K21-L25 PolarHBondContact O-N 2.94Å; K21-D63 VanDerWaalsContact CB-OD1 3.24Å; K21-D63 WeakPolarHBondContact CB-OD1 3.14Å; K21-T64 WeakPolarHBondContact CE-O 3.48Å; K21-V87 HydrophobicContact CG-CB 4.03Å; K21-V87 HydrophobicContact CG-CG2 4.05Å
22T94.5Very high94.8Very high35 Ų3527.8 Ų27.822%0.21516%0.164CC..Hα-helixtrans-59.6-46.7176.7-45.90000111G20 L24 L25 F26 T40 D63G20-T22 PolarHBondContact O-N 2.86Å; T22-L24 VanDerWaalsContact C-N 3.31Å; T22-L24 PolarHBondContact O-N 3.1Å; T22-L25 WeakPolarHBondContact O-CB 3.43Å; T22-L25 PolarHBondContact O-N 2.94Å; T22-L25 VanDerWaalsContact O-N 3.08Å; T22-F26 HydrophobicContact CG2-CD2 3.63Å; T22-F26 HydrophobicContact CG2-CE2 3.56Å; T22-F26 VanDerWaalsContact O-CD2 3.3Å; T22-F26 WeakPolarHBondContact O-CD2 3.4Å; T22-F26 PolarHBondContact O-N 3.49Å; T22-T40 PolarHBondContact OG1-OG1 3.08Å; T22-D63 WeakPolarHBondContact CA-OD2 3.37Å; T22-D63 VanDerWaalsContact CB-OD2 3.31Å; T22-D63 WeakPolarHBondContact CB-OD2 3.3Å; T22-D63 PolarHBondContact OG1-OD2 2.91Å
23C95.7Very high94.7Very high37 Ų3730.9 Ų30.925%0.2518%0.177CC..Hα-helixtrans-59.9-40.1177.3-55.80000112.5G20 K21 R27 F33 A152G20-C23 PolarHBondContact O-N 3.37Å; K21-C23 PolarHBondContact O-N 3.42Å; C23-R27 VanDerWaalsContact O-CB 3.28Å; C23-R27 WeakPolarHBondContact O-CB 3.46Å; C23-R27 PolarHBondContact O-N 3.09Å; C23-F33 HydrophobicContact CB-CD2 4.31Å; C23-F33 HydrophobicContact CB-CE2 4.26Å; C23-A152 HydrophobicContact CB-CB 3.65Å
24L97.3Very high94.3Very high1 Ų133.9 Ų33.91%0.00520%0.198CC..Hα-helixtrans-63.6-42.4174-73.2168.3000111.5G20 K21 T22 F28 V87 L119 N121 A152 V158G20-L24 WeakPolarHBondContact O-CG 3.45Å; G20-L24 PolarHBondContact O-N 3.03Å; K21-L24 WeakPolarHBondContact O-CB 3.43Å; K21-L24 PolarHBondContact O-N 3.37Å; T22-L24 VanDerWaalsContact C-N 3.31Å; T22-L24 PolarHBondContact O-N 3.1Å; L24-F28 VanDerWaalsContact O-CB 3.32Å; L24-F28 WeakPolarHBondContact O-CB 3.29Å; L24-F28 PolarHBondContact O-N 3.34Å; L24-V87 HydrophobicContact CD1-CG1 3.82Å; L24-V87 HydrophobicContact CD1-CG2 4.14Å; L24-L119 HydrophobicContact CD1-CD1 3.94Å; L24-N121 HydrophobicContact CD1-CB 4.25Å; L24-A152 HydrophobicContact CD2-CB 3.99Å; L24-A152 HydrophobicContact CG-CB 4.21Å; L24-V158 HydrophobicContact CD2-CG1 4.14Å; L24-V158 HydrophobicContact CD2-CG2 3.8Å
25L96.1Very high93.7Very high0 Ų039.1 Ų39.10%023%0.233CC..Hα-helixtrans-61.7-48.8176.3179.155.3000111.8L13 K21 T22 F28 A29 K46 I61 D63L13-L25 HydrophobicContact CD1-CB 3.81Å; L13-L25 HydrophobicContact CD1-CD1 4.45Å; L13-L25 HydrophobicContact CD1-CD2 4.49Å; L13-L25 HydrophobicContact CD1-CG 4.48Å; K21-L25 PolarHBondContact O-N 2.94Å; T22-L25 WeakPolarHBondContact O-CB 3.43Å; T22-L25 PolarHBondContact O-N 2.94Å; T22-L25 VanDerWaalsContact O-N 3.08Å; L25-F28 PolarHBondContact O-N 3.01Å; L25-A29 HydrophobicContact CD1-CB 4.42Å; L25-A29 WeakPolarHBondContact O-CB 3.44Å; L25-A29 PolarHBondContact O-N 2.98Å; L25-K46 HydrophobicContact CD1-CB 3.98Å; L25-K46 HydrophobicContact CD1-CG 4.19Å; L25-K46 HydrophobicContact CD2-CB 4.24Å; L25-K46 HydrophobicContact CD2-CG 3.82Å; L25-K46 HydrophobicContact CG-CB 4.33Å; L25-K46 HydrophobicContact CG-CG 3.99Å; L25-I61 HydrophobicContact CD1-CB 3.78Å; L25-I61 HydrophobicContact CD1-CD1 3.89Å; L25-I61 HydrophobicContact CD1-CG1 4.45Å; L25-I61 HydrophobicContact CD1-CG2 3.59Å; L25-D63 HydrophobicContact CD2-CB 3.6Å
26F94.4Very high93.1Very high56 Ų5642.8 Ų42.825%0.24626%0.258CS..Hα-helixtrans-65.7-41.6179.6-86.2-88000112T22 F28 A29 E30 D31 S32T22-F26 HydrophobicContact CG2-CD2 3.63Å; T22-F26 HydrophobicContact CG2-CE2 3.56Å; T22-F26 VanDerWaalsContact O-CD2 3.3Å; T22-F26 WeakPolarHBondContact O-CD2 3.4Å; T22-F26 PolarHBondContact O-N 3.49Å; F26-F28 VanDerWaalsContact C-N 3.32Å; F26-F28 PolarHBondContact O-N 3.01Å; F26-A29 PolarHBondContact O-N 3.43Å; F26-E30 VanDerWaalsContact CD1-OE2 3.32Å; F26-E30 WeakPolarHBondContact CD1-OE2 3.44Å; F26-E30 WeakPolarHBondContact CE1-OE2 3.32Å; F26-E30 WeakPolarHBondContact O-CA 3.22Å; F26-E30 PolarHBondContact O-N 2.93Å; F26-D31 PolarHBondContact O-N 3.34Å; F26-S32 CarbonylContact C-O 3.33Å
27R96.7Very high92.3Very high38 Ų3848 Ų4814%0.14328%0.28CS..Hα-helixtrans-59-47.2174.2176.356.170.2-1703.4110.6C23 D31 S32 A152 D155 V158C23-R27 VanDerWaalsContact O-CB 3.28Å; C23-R27 WeakPolarHBondContact O-CB 3.46Å; C23-R27 PolarHBondContact O-N 3.09Å; R27-D31 IonicContact CZ-OD1 2.62Å; R27-D31 VanDerWaalsContact NH1-C 3.28Å; R27-D31 PolarHBondContact NH1-O 3.26Å; R27-D31 IonicContact NH1-OD1 3.88Å; R27-D31 PolarHBondContact NH1-OD1 2.94Å; R27-D31 VanDerWaalsContact O-CA 3.29Å; R27-D31 WeakPolarHBondContact O-CA 3.37Å; R27-D31 PolarHBondContact O-N 2.92Å; R27-D31 VanDerWaalsContact O-N 3.11Å; R27-S32 WeakPolarHBondContact CA-O 3.35Å; R27-S32 PolarHBondContact N-O 3.45Å; R27-A152 PolarHBondContact NE-O 2.89Å; R27-A152 VanDerWaalsContact NE-O 3.07Å; R27-D155 VanDerWaalsContact CD-OD1 3.28Å; R27-D155 WeakPolarHBondContact CD-OD1 3.36Å; R27-D155 HydrophobicContact CG-CB 4.36Å; R27-D155 VanDerWaalsContact CG-OD1 3.22Å; R27-D155 WeakPolarHBondContact CG-OD1 3.45Å; R27-V158 HydrophobicContact CB-CG1 4.18Å; R27-V158 HydrophobicContact CG-CB 4.09Å; R27-V158 HydrophobicContact CG-CG1 3.92Å; R27-V158 HydrophobicContact CG-CG2 3.95Å
28F97.1Very high91.6Very high5 Ų552.4 Ų52.42%0.02230%0.299CS..Hα-helixtrans-67.9-43.2178.4-179.2-107000113.2L24 L25 F26 R48 I50 L59 I61 V158 E159 F162 F163L24-F28 VanDerWaalsContact O-CB 3.32Å; L24-F28 WeakPolarHBondContact O-CB 3.29Å; L24-F28 PolarHBondContact O-N 3.34Å; L25-F28 PolarHBondContact O-N 3.01Å; F26-F28 VanDerWaalsContact C-N 3.32Å; F26-F28 PolarHBondContact O-N 3.01Å; F28-R48 HydrophobicContact CE1-CB 4.07Å; F28-R48 HydrophobicContact CE1-CG 4.23Å; F28-R48 WeakPolarHBondContact O-CD 3.5Å; F28-R48 VanDerWaalsContact O-CZ 3.24Å; F28-R48 PolarHBondContact O-NE 2.97Å; F28-R48 PolarHBondContact O-NH1 3.09Å; F28-I50 HydrophobicContact CZ-CG2 4Å; F28-L59 HydrophobicContact CE1-CD1 3.92Å; F28-L59 HydrophobicContact CZ-CD1 3.87Å; F28-I61 HydrophobicContact CD1-CD1 3.63Å; F28-I61 HydrophobicContact CE1-CD1 3.6Å; F28-V158 HydrophobicContact CB-CG1 3.98Å; F28-E159 HydrophobicContact CE2-CG 4.28Å; F28-F162 HydrophobicContact CB-CD2 3.7Å; F28-F162 HydrophobicContact CB-CE2 3.51Å; F28-F162 HydrophobicContact CB-CZ 4.18Å; F28-F162 HydrophobicContact CD1-CB 4.42Å; F28-F162 HydrophobicContact CD1-CD1 4.05Å; F28-F162 AromaticContact CD1-CD2 3.93Å; F28-F162 HydrophobicContact CD1-CD2 3.93Å; F28-F162 HydrophobicContact CD1-CE1 4.28Å; F28-F162 HydrophobicContact CD1-CE2 4.18Å; F28-F162 AromaticContact CD1-CG 3.88Å; F28-F162 HydrophobicContact CD1-CG 3.88Å; F28-F162 HydrophobicContact CD1-CZ 4.34Å; F28-F162 HydrophobicContact CD2-CB 3.81Å; F28-F162 AromaticContact CD2-CD2 3.42Å; F28-F162 HydrophobicContact CD2-CD2 3.42Å; F28-F162 VanDerWaalsContact CD2-CD2 3.42Å; F28-F162 HydrophobicContact CD2-CE2 4.17Å; F28-F162 AromaticContact CD2-CG 3.74Å; F28-F162 HydrophobicContact CD2-CG 3.74Å; F28-F162 HydrophobicContact CE1-CB 4.08Å; F28-F162 HydrophobicContact CE1-CD1 4.1Å; F28-F162 HydrophobicContact CE1-CD2 4.43Å; F28-F162 AromaticContact CE1-CG 3.96Å; F28-F162 HydrophobicContact CE1-CG 3.96Å; F28-F162 HydrophobicContact CE2-CB 3.4Å; F28-F162 VanDerWaalsContact CE2-CB 3.4Å; F28-F162 AromaticContact CE2-CD2 3.98Å; F28-F162 HydrophobicContact CE2-CD2 3.98Å; F28-F162 AromaticContact CE2-CG 3.82Å; F28-F162 HydrophobicContact CE2-CG 3.82Å; F28-F162 HydrophobicContact CG-CB 4.3Å; F28-F162 HydrophobicContact CG-CD1 4.35Å; F28-F162 AromaticContact CG-CD2 3.39Å; F28-F162 HydrophobicContact CG-CD2 3.39Å; F28-F162 AromaticContact CG-CE2 3.69Å; F28-F162 HydrophobicContact CG-CE2 3.69Å; F28-F162 AromaticContact CG-CG 3.77Å; F28-F162 HydrophobicContact CG-CG 3.77Å; F28-F162 HydrophobicContact CG-CZ 4.29Å; F28-F162 HydrophobicContact CZ-CB 3.56Å; F28-F162 HydrophobicContact CZ-CD1 4.44Å; F28-F162 HydrophobicContact CZ-CD2 4.45Å; F28-F162 AromaticContact CZ-CG 3.93Å; F28-F162 HydrophobicContact CZ-CG 3.93Å; F28-F163 HydrophobicContact CE2-CD2 4.19Å; F28-F163 HydrophobicContact CE2-CE2 4.12Å; F28-F163 HydrophobicContact CZ-CE2 4.46Å
29A94.4Very high91.1Very high28 Ų2853.2 Ų53.223%0.23130%0.3CS..Hα-helixtrans-82.4-32.6-17100000113.2L25 F26 K46L25-A29 HydrophobicContact CD1-CB 4.42Å; L25-A29 WeakPolarHBondContact O-CB 3.44Å; L25-A29 PolarHBondContact O-N 2.98Å; F26-A29 PolarHBondContact O-N 3.43Å; A29-K46 HydrophobicContact CB-CB 4.25Å; A29-K46 HydrophobicContact CB-CG 4.34Å
30E92.9Very high90.1Very high96 Ų9654.6 Ų54.645%0.44931%0.309SS..Hα-helixtrans-134.82.7-165-60.9-179-17700113.6F26 S32 K46F26-E30 VanDerWaalsContact CD1-OE2 3.32Å; F26-E30 WeakPolarHBondContact CD1-OE2 3.44Å; F26-E30 WeakPolarHBondContact CE1-OE2 3.32Å; F26-E30 WeakPolarHBondContact O-CA 3.22Å; F26-E30 PolarHBondContact O-N 2.93Å; E30-S32 PolarHBondContact O-N 3.3Å; E30-K46 WeakPolarHBondContact OE1-CE 3.39Å; E30-K46 IonicContact OE1-NZ 3.56Å; E30-K46 PolarHBondContact OE1-NZ 3.46Å
31D93.7Very high89.2Confident113 Ų11361.1 Ų61.160%0.60434%0.339SS*.SBendtrans51.238.1-173.5-165.125.9000113.1F26 R27F26-D31 PolarHBondContact O-N 3.34Å; R27-D31 IonicContact CZ-OD1 2.62Å; R27-D31 VanDerWaalsContact NH1-C 3.28Å; R27-D31 PolarHBondContact NH1-O 3.26Å; R27-D31 IonicContact NH1-OD1 3.88Å; R27-D31 PolarHBondContact NH1-OD1 2.94Å; R27-D31 VanDerWaalsContact O-CA 3.29Å; R27-D31 WeakPolarHBondContact O-CA 3.37Å; R27-D31 PolarHBondContact O-N 2.92Å; R27-D31 VanDerWaalsContact O-N 3.11Å
32S92.9Very high88.2Confident55 Ų5561.3 Ų61.339%0.38534%0.344SS..  trans-122.3146.1-174.4-176.40000112F26 R27 E30F26-S32 CarbonylContact C-O 3.33Å; R27-S32 WeakPolarHBondContact CA-O 3.35Å; R27-S32 PolarHBondContact N-O 3.45Å; E30-S32 PolarHBondContact O-N 3.3Å
33F92.2Very high87.6Confident64 Ų6461.5 Ų61.528%0.28134%0.343SS..  trans-139.8131.1175175.3-94.7000110.6C23 P35 A152 K153C23-F33 HydrophobicContact CB-CD2 4.31Å; C23-F33 HydrophobicContact CB-CE2 4.26Å; F33-P35 HydrophobicContact CE1-CB 4.12Å; F33-A152 HydrophobicContact CD2-CB 4.23Å; F33-A152 HydrophobicContact CE2-CB 4.37Å; F33-K153 HydrophobicContact CD1-CB 4.5Å; F33-K153 HydrophobicContact CD1-CG 4.29Å; F33-K153 HydrophobicContact CD2-CB 4.23Å; F33-K153 HydrophobicContact CE1-CB 4.02Å; F33-K153 HydrophobicContact CE1-CD 4.21Å; F33-K153 HydrophobicContact CE1-CG 3.76Å; F33-K153 HydrophobicContact CE2-CB 3.72Å; F33-K153 HydrophobicContact CE2-CG 4.38Å; F33-K153 HydrophobicContact CZ-CB 3.61Å; F33-K153 HydrophobicContact CZ-CD 4.13Å; F33-K153 HydrophobicContact CZ-CG 3.81Å
34S87.7Confident87.2Confident63 Ų6362.4 Ų62.444%0.44135%0.345SS..  trans-117.6127.7171.1-179.20000109.7S36S34-S36 PolarHBondContact O-N 3.46Å; S34-S36 PolarHBondContact OG-N 3.43Å
35P82.5Confident86.8Confident111 Ų11165.8 Ų65.872%0.72136%0.36SS*.  trans-72.7-15.9175.130.9-34.8000112.5F33 F37F33-P35 HydrophobicContact CE1-CB 4.12Å; P35-F37 PolarHBondContact O-N 3.05Å
36S82.1Confident86.7Confident77 Ų7768.2 Ų68.254%0.53837%0.371SS..SBendtrans-69.3116.1-179.5-61.10000110.4S34 I38S34-S36 PolarHBondContact O-N 3.46Å; S34-S36 PolarHBondContact OG-N 3.43Å; S36-I38 PolarHBondContact O-N 3.34Å; S36-I38 VanDerWaalsContact O-N 3.16Å
37F75.4Confident86.7Confident134 Ų13469.5 Ų69.559%0.58838%0.379SS*.  trans-77.7101.7173.5-179.3-110.1000110.3G18 P35 S39G18-F37 VanDerWaalsContact CA-CE2 3.42Å; P35-F37 PolarHBondContact O-N 3.05Å; F37-S39 VanDerWaalsContact CE1-OG 3.32Å; F37-S39 WeakPolarHBondContact CE1-OG 3.44Å; F37-S39 WeakPolarHBondContact CZ-OG 3.32Å
38I78.7Confident86.6Confident139 Ų13971 Ų7171%0.71339%0.385SS*.  trans-104.4118.7167.8-56.7176.4000106.7S36 T40S36-I38 PolarHBondContact O-N 3.34Å; S36-I38 VanDerWaalsContact O-N 3.16Å; I38-T40 PolarHBondContact O-N 3.31Å
39S80.7Confident86.6Confident42 Ų4274.1 Ų74.129%0.29440%0.404SS..PPolyproline II helixtrans-63.4122.9176.4-73.80000109.9F37 I41F37-S39 VanDerWaalsContact CE1-OG 3.32Å; F37-S39 WeakPolarHBondContact CE1-OG 3.44Å; F37-S39 WeakPolarHBondContact CZ-OG 3.32Å; S39-I41 PolarHBondContact O-N 3.11Å
40T75.9Confident86.7Confident31 Ų3173.2 Ų73.219%0.1940%0.396CS..PPolyproline II helixtrans-59.2122.8172.1-43.80000109.4T22 I38 A65T22-T40 PolarHBondContact OG1-OG1 3.08Å; I38-T40 PolarHBondContact O-N 3.31Å; T40-A65 WeakPolarHBondContact O-CB 3.4Å
41I76Confident86.9Confident149 Ų14974.7 Ų74.776%0.76440%0.403SS*.PPolyproline II helixtrans-95.1117.9173.6-59.2176.4000107S39 I43 F70S39-I41 PolarHBondContact O-N 3.11Å; I41-I43 PolarHBondContact O-N 3.44Å; I41-F70 HydrophobicContact CG2-CZ 4.36Å
42G75.2Confident87Confident14 Ų1470.1 Ų70.114%0.14438%0.378CS..SBendtrans73.1-121.9-178.300000112.8A65G42-A65 WeakPolarHBondContact O-CB 3.37Å; G42-A65 PolarHBondContact O-N 2.86Å
43I81.8Confident87Confident38 Ų3872.8 Ų72.820%0.19539%0.388CS..EExtended strand (participates in β ladder)trans-138135.6-174.4-71.7172.9000109.7I41 W62 D63 T64 I73 Y77I41-I43 PolarHBondContact O-N 3.44Å; I43-W62 HydrophobicContact CG2-CE3 3.67Å; I43-W62 HydrophobicContact CG2-CZ3 4.35Å; I43-D63 CarbonylContact C-O 3.46Å; I43-D63 WeakPolarHBondContact CA-O 3.4Å; I43-D63 WeakPolarHBondContact CG2-O 3.44Å; I43-T64 HydrophobicContact CD1-CG2 4.31Å; I43-T64 HydrophobicContact CG1-CG2 4.21Å; I43-I73 HydrophobicContact CD1-CG2 3.57Å; I43-I73 HydrophobicContact CG1-CG2 4.13Å; I43-Y77 HydrophobicContact CD1-CD1 3.93Å; I43-Y77 HydrophobicContact CD1-CD2 3.14Å; I43-Y77 HydrophobicContact CD1-CE1 3.83Å; I43-Y77 HydrophobicContact CD1-CE2 3.03Å; I43-Y77 HydrophobicContact CD1-CG 3.59Å; I43-Y77 HydrophobicContact CG1-CE2 4.42Å; I43-Y77 HydrophobicContact CG2-CD1 4.47Å; I43-Y77 HydrophobicContact CG2-CE1 4.09Å
44D86.8Confident87.1Confident56 Ų5672.4 Ų72.430%0.29940%0.402SS..EExtended strand (participates in β ladder)trans-106.3158.2170.5-163.79000110.5D63D44-D63 HydrophobicContact CB-CB 4.3Å; D44-D63 PolarHBondContact N-O 3.46Å; D44-D63 PolarHBondContact O-N 3.41Å
45F89.4Confident87.5Confident72 Ų7273.3 Ų73.332%0.31640%0.398SS..EExtended strand (participates in β ladder)trans-140.5126.4-172.7175.8-105.4000111.7I47 Q60 I61 W62F45-I47 HydrophobicContact CE1-CD1 3.65Å; F45-I47 HydrophobicContact CE1-CG1 3.52Å; F45-I47 HydrophobicContact CE2-CG1 4.39Å; F45-I47 HydrophobicContact CZ-CD1 3.7Å; F45-I47 HydrophobicContact CZ-CG1 3.45Å; F45-I47 VanDerWaalsContact CZ-CG1 3.45Å; F45-Q60 HydrophobicContact CE2-CB 3.78Å; F45-Q60 HydrophobicContact CE2-CG 3.98Å; F45-Q60 HydrophobicContact CZ-CB 4.17Å; F45-Q60 HydrophobicContact CZ-CG 3.84Å; F45-I61 WeakPolarHBondContact CA-O 3.26Å; F45-W62 HydrophobicContact CB-CE3 4.06Å; F45-W62 HydrophobicContact CB-CZ3 4.06Å; F45-W62 AromaticContact CD2-CD2 3.57Å; F45-W62 HydrophobicContact CD2-CD2 3.57Å; F45-W62 AromaticContact CD2-CE2 3.51Å; F45-W62 AromaticContact CD2-CE3 3.7Å; F45-W62 HydrophobicContact CD2-CE3 3.7Å; F45-W62 HydrophobicContact CD2-CG 4.18Å; F45-W62 AromaticContact CD2-CH2 3.89Å; F45-W62 HydrophobicContact CD2-CH2 3.89Å; F45-W62 AromaticContact CD2-CZ2 3.72Å; F45-W62 HydrophobicContact CD2-CZ2 3.72Å; F45-W62 AromaticContact CD2-CZ3 3.85Å; F45-W62 HydrophobicContact CD2-CZ3 3.85Å; F45-W62 AromaticContact CD2-NE1 3.96Å; F45-W62 HydrophobicContact CE2-CD2 4.14Å; F45-W62 AromaticContact CE2-CE2 3.6Å; F45-W62 HydrophobicContact CE2-CH2 4.21Å; F45-W62 AromaticContact CE2-CZ2 3.68Å; F45-W62 HydrophobicContact CE2-CZ2 3.68Å; F45-W62 AromaticContact CE2-NE1 3.77Å; F45-W62 HydrophobicContact CG-CE3 4.25Å; F45-W62 HydrophobicContact CG-CH2 4.35Å; F45-W62 HydrophobicContact CG-CZ3 4.14Å
46K93.7Very high88.1Confident52 Ų5273.5 Ų73.523%0.22639%0.388CS..EExtended strand (participates in β ladder)trans-128.2150.9173.3-64.4-73.3178.8175.20111.3L25 A29 E30 I61L25-K46 HydrophobicContact CD1-CB 3.98Å; L25-K46 HydrophobicContact CD1-CG 4.19Å; L25-K46 HydrophobicContact CD2-CB 4.24Å; L25-K46 HydrophobicContact CD2-CG 3.82Å; L25-K46 HydrophobicContact CG-CB 4.33Å; L25-K46 HydrophobicContact CG-CG 3.99Å; A29-K46 HydrophobicContact CB-CB 4.25Å; A29-K46 HydrophobicContact CB-CG 4.34Å; E30-K46 WeakPolarHBondContact OE1-CE 3.39Å; E30-K46 IonicContact OE1-NZ 3.56Å; E30-K46 PolarHBondContact OE1-NZ 3.46Å; K46-I61 PolarHBondContact N-O 3.09Å; K46-I61 PolarHBondContact O-N 3.34Å
47I94.9Very high88.9Confident83 Ų8369.8 Ų69.843%0.42636%0.362SS..EExtended strand (participates in β ladder)trans-117.9124.5171.6-60.8179.4000108.7F45 K58 L59 Q60F45-I47 HydrophobicContact CE1-CD1 3.65Å; F45-I47 HydrophobicContact CE1-CG1 3.52Å; F45-I47 HydrophobicContact CE2-CG1 4.39Å; F45-I47 HydrophobicContact CZ-CD1 3.7Å; F45-I47 HydrophobicContact CZ-CG1 3.45Å; F45-I47 VanDerWaalsContact CZ-CG1 3.45Å; I47-K58 HydrophobicContact CG2-CD 3.79Å; I47-K58 HydrophobicContact CG2-CG 3.54Å; I47-L59 VanDerWaalsContact CA-O 3.26Å; I47-L59 WeakPolarHBondContact CA-O 3.39Å; I47-Q60 HydrophobicContact CG1-CG 4.28Å
48R95.2Very high89.9Confident70 Ų7065.8 Ų65.826%0.26434%0.344SS..EExtended strand (participates in β ladder)trans-125.4133.3167.9-174.9169.9176.3-153.1-4.8108.5F28 I50 L59 E159F28-R48 HydrophobicContact CE1-CB 4.07Å; F28-R48 HydrophobicContact CE1-CG 4.23Å; F28-R48 WeakPolarHBondContact O-CD 3.5Å; F28-R48 VanDerWaalsContact O-CZ 3.24Å; F28-R48 PolarHBondContact O-NE 2.97Å; F28-R48 PolarHBondContact O-NH1 3.09Å; R48-I50 HydrophobicContact CG-CG2 4.25Å; R48-L59 PolarHBondContact N-O 3.26Å; R48-L59 VanDerWaalsContact N-O 3.15Å; R48-L59 WeakPolarHBondContact O-CB 3.24Å; R48-L59 PolarHBondContact O-N 2.9Å; R48-E159 IonicContact CZ-OE2 2.87Å; R48-E159 IonicContact NH1-OE2 2.82Å; R48-E159 PolarHBondContact NH1-OE2 2.91Å; R48-E159 VanDerWaalsContact NH1-OE2 3.15Å; R48-E159 IonicContact NH2-OE2 3.29Å; R48-E159 PolarHBondContact NH2-OE2 2.9Å
49T96.4Very high90.8Very high69 Ų6959.2 Ų59.242%0.42331%0.31SS..EExtended strand (participates in β ladder)trans-97.7125.8171.5-55.60000108.1K56 I57T49-K56 HydrophobicContact CG2-CB 4.34Å; T49-I57 CarbonylContact C-O 3.54Å; T49-I57 WeakPolarHBondContact CA-O 3.23Å
50I96.7Very high91.6Very high9 Ų959.6 Ų59.65%0.04631%0.308CS..EExtended strand (participates in β ladder)trans-113.4162.3176.364.6167.5000110F28 R48 I57 L59 F163 A166F28-I50 HydrophobicContact CZ-CG2 4Å; R48-I50 HydrophobicContact CG-CG2 4.25Å; I50-I57 HydrophobicContact CG1-CB 4Å; I50-I57 PolarHBondContact N-O 3.11Å; I50-I57 PolarHBondContact O-N 3.02Å; I50-L59 HydrophobicContact CD1-CD1 3.89Å; I50-L59 HydrophobicContact CD1-CG 4.36Å; I50-L59 HydrophobicContact CG1-CD1 4.19Å; I50-L59 HydrophobicContact CG1-CG 4.29Å; I50-L59 HydrophobicContact CG2-CD1 4.22Å; I50-F163 HydrophobicContact CB-CE1 4.32Å; I50-F163 HydrophobicContact CB-CE2 4.15Å; I50-F163 HydrophobicContact CB-CZ 3.75Å; I50-F163 HydrophobicContact CD1-CD1 4.26Å; I50-F163 HydrophobicContact CD1-CD2 4.27Å; I50-F163 HydrophobicContact CD1-CE1 4.14Å; I50-F163 HydrophobicContact CD1-CE2 4.16Å; I50-F163 HydrophobicContact CD1-CG 4.34Å; I50-F163 HydrophobicContact CD1-CZ 4.1Å; I50-F163 HydrophobicContact CG2-CE2 3.78Å; I50-F163 HydrophobicContact CG2-CZ 3.85Å; I50-A166 HydrophobicContact CD1-CB 3.9Å
51E96.6Very high92.5Very high128 Ų12858.1 Ų58.160%0.59830%0.299SS*.EExtended strand (participates in β ladder)trans-110127.3171-171.4170.1164.100109.6K55E51-K55 WeakPolarHBondContact CA-O 2.85Å
52L95.3Very high93.4Very high17 Ų1753.5 Ų53.59%0.08927%0.272CS..EExtended strand (participates in β ladder)trans-142.5116.3-175.1-167.573.4000110.4G54 K55 I57 F163 A166 Q167 K170L52-G54 VanDerWaalsContact C-N 3.34Å; L52-G54 PolarHBondContact O-N 3.42Å; L52-K55 PolarHBondContact N-O 3.34Å; L52-K55 WeakPolarHBondContact O-CB 3.4Å; L52-K55 PolarHBondContact O-N 3.18Å; L52-K55 VanDerWaalsContact O-N 3.12Å; L52-I57 HydrophobicContact CB-CD1 3.68Å; L52-I57 HydrophobicContact CB-CG1 4.38Å; L52-I57 HydrophobicContact CD2-CD1 3.66Å; L52-I57 HydrophobicContact CG-CD1 4.31Å; L52-F163 HydrophobicContact CD1-CD1 3.76Å; L52-F163 HydrophobicContact CD1-CE1 4.32Å; L52-A166 HydrophobicContact CD2-CB 4.16Å; L52-Q167 VanDerWaalsContact CD1-OE1 3.3Å; L52-Q167 HydrophobicContact CD2-CB 4.14Å; L52-K170 HydrophobicContact CD2-CD 4.12Å; L52-K170 PolarHBondContact O-NZ 2.98Å
53D93.8Very high94.2Very high110 Ų11052.9 Ų52.959%0.58827%0.265SS*.THydrogen-bonded Turntrans42.754.5-167.8-28.5-57.9000113K55 Q167 K170D53-K55 PolarHBondContact O-N 3.12Å; D53-Q167 PolarHBondContact OD2-NE2 3.05Å; D53-Q167 PolarHBondContact OD2-OE1 2.7Å; D53-K170 VanDerWaalsContact CG-NZ 3.33Å; D53-K170 IonicContact OD2-NZ 2.87Å; D53-K170 PolarHBondContact OD2-NZ 2.8Å
54G94.1Very high94.4Very high57 Ų5751.1 Ų51.159%0.58826%0.256SS*.THydrogen-bonded Turntrans6715.3178.300000115L52L52-G54 VanDerWaalsContact C-N 3.34Å; L52-G54 PolarHBondContact O-N 3.42Å
55K95.3Very high94.1Very high82 Ų8248.6 Ų48.636%0.35724%0.243SC..EExtended strand (participates in β ladder)trans-115.2134.3178.1-62.8-67.9178.6-170.60110.7D6 Y7 E51 L52 D53D6-K55 HydrophobicContact CB-CB 4.18Å; D6-K55 HydrophobicContact CB-CD 3.86Å; D6-K55 VanDerWaalsContact OD1-CD 3.22Å; D6-K55 WeakPolarHBondContact OD1-CD 3.29Å; D6-K55 IonicContact OD1-NZ 2.7Å; D6-K55 PolarHBondContact OD1-NZ 3.02Å; D6-K55 WeakPolarHBondContact OD2-CA 3.18Å; Y7-K55 HydrophobicContact CD2-CB 4.22Å; Y7-K55 HydrophobicContact CE2-CB 4.11Å; Y7-K55 HydrophobicContact CE2-CD 4.33Å; Y7-K55 HydrophobicContact CE2-CG 4.06Å; E51-K55 WeakPolarHBondContact CA-O 2.85Å; L52-K55 PolarHBondContact N-O 3.34Å; L52-K55 WeakPolarHBondContact O-CB 3.4Å; L52-K55 PolarHBondContact O-N 3.18Å; L52-K55 VanDerWaalsContact O-N 3.12Å; D53-K55 PolarHBondContact O-N 3.12Å
56K96.7Very high93.2Very high114 Ų11445.7 Ų45.750%0.49623%0.233SC..EExtended strand (participates in β ladder)trans-83.2116.6174.6-69.8-175.2-179.4-177.20109.3D6 Y7 T49D6-K56 PolarHBondContact N-O 3.36Å; D6-K56 PolarHBondContact OD2-N 3.49Å; Y7-K56 PolarHBondContact N-O 3.48Å; T49-K56 HydrophobicContact CG2-CB 4.34Å
57I97.4Very high91.9Very high0 Ų045 Ų450%023%0.231CC..EExtended strand (participates in β ladder)trans-113.7116.4-178.1-52.9-173.7000108.4Y7 F9 T49 I50 L52 L59 K170Y7-I57 HydrophobicContact CD2-CG1 4.19Å; Y7-I57 WeakPolarHBondContact O-CA 3.46Å; F9-I57 HydrophobicContact CD2-CG2 3.37Å; F9-I57 HydrophobicContact CE2-CD1 3.8Å; F9-I57 HydrophobicContact CE2-CG2 3.55Å; F9-I57 HydrophobicContact CG-CG2 3.94Å; F9-I57 HydrophobicContact CZ-CD1 4.31Å; F9-I57 HydrophobicContact CZ-CG2 4.23Å; T49-I57 CarbonylContact C-O 3.54Å; T49-I57 WeakPolarHBondContact CA-O 3.23Å; I50-I57 HydrophobicContact CG1-CB 4Å; I50-I57 PolarHBondContact N-O 3.11Å; I50-I57 PolarHBondContact O-N 3.02Å; L52-I57 HydrophobicContact CB-CD1 3.68Å; L52-I57 HydrophobicContact CB-CG1 4.38Å; L52-I57 HydrophobicContact CD2-CD1 3.66Å; L52-I57 HydrophobicContact CG-CD1 4.31Å; I57-L59 HydrophobicContact CG2-CD2 3.75Å; I57-K170 HydrophobicContact CD1-CD 4.14Å
58K97.2Very high90.2Very high50 Ų5046.8 Ų46.822%0.21724%0.237CC..EExtended strand (participates in β ladder)trans-84.8114.2172.2-177.9171.1-80.7-175.20108.9Y5 Y7 L8 F9 I47Y5-K58 HydrophobicContact CD1-CB 4.2Å; Y5-K58 HydrophobicContact CD1-CD 4.14Å; Y5-K58 HydrophobicContact CD2-CB 4.34Å; Y5-K58 HydrophobicContact CE1-CD 4.13Å; Y5-K58 HydrophobicContact CG-CB 3.98Å; Y7-K58 PolarHBondContact O-N 3.11Å; L8-K58 CarbonylContact C-O 3.52Å; L8-K58 WeakPolarHBondContact CA-O 3.41Å; L8-K58 HydrophobicContact CD1-CB 3.84Å; L8-K58 HydrophobicContact CD1-CD 3.87Å; L8-K58 HydrophobicContact CD1-CG 3.7Å; F9-K58 PolarHBondContact N-O 2.77Å; I47-K58 HydrophobicContact CG2-CD 3.79Å; I47-K58 HydrophobicContact CG2-CG 3.54Å
59L97.7Very high88.6Confident0 Ų052 Ų520%026%0.257CS..EExtended strand (participates in β ladder)trans-90.8127.5174-55.5-178.3000109.5F9 L11 F28 I47 R48 I50 I57 I61 A166F9-L59 HydrophobicContact CB-CD2 3.91Å; F9-L59 HydrophobicContact CD2-CD2 4.01Å; F9-L59 HydrophobicContact CG-CD2 4.42Å; L11-L59 HydrophobicContact CD1-CB 4.48Å; L11-L59 HydrophobicContact CD1-CD1 4.14Å; L11-L59 HydrophobicContact CD1-CD2 4.15Å; L11-L59 HydrophobicContact CD1-CG 4.5Å; F28-L59 HydrophobicContact CE1-CD1 3.92Å; F28-L59 HydrophobicContact CZ-CD1 3.87Å; I47-L59 VanDerWaalsContact CA-O 3.26Å; I47-L59 WeakPolarHBondContact CA-O 3.39Å; R48-L59 PolarHBondContact N-O 3.26Å; R48-L59 VanDerWaalsContact N-O 3.15Å; R48-L59 WeakPolarHBondContact O-CB 3.24Å; R48-L59 PolarHBondContact O-N 2.9Å; I50-L59 HydrophobicContact CD1-CD1 3.89Å; I50-L59 HydrophobicContact CD1-CG 4.36Å; I50-L59 HydrophobicContact CG1-CD1 4.19Å; I50-L59 HydrophobicContact CG1-CG 4.29Å; I50-L59 HydrophobicContact CG2-CD1 4.22Å; I57-L59 HydrophobicContact CG2-CD2 3.75Å; L59-I61 HydrophobicContact CB-CD1 4.28Å; L59-I61 HydrophobicContact CB-CG1 4.05Å; L59-A166 HydrophobicContact CD2-CB 4.29Å
60Q96.7Very high86.9Confident50 Ų5051 Ų5123%0.23425%0.247CC..EExtended strand (participates in β ladder)trans-105.1102.7170.2-80.2-171.8-23.300107.9L8 F9 K10 L11 F45 I47L8-Q60 HydrophobicContact CD1-CG 3.81Å; F9-Q60 PolarHBondContact O-N 3.42Å; K10-Q60 CarbonylContact C-O 3.56Å; K10-Q60 WeakPolarHBondContact CA-O 3.38Å; L11-Q60 PolarHBondContact N-O 3.18Å; F45-Q60 HydrophobicContact CE2-CB 3.78Å; F45-Q60 HydrophobicContact CE2-CG 3.98Å; F45-Q60 HydrophobicContact CZ-CB 4.17Å; F45-Q60 HydrophobicContact CZ-CG 3.84Å; I47-Q60 HydrophobicContact CG1-CG 4.28Å
61I96.3Very high85.2Confident0 Ų055.7 Ų55.70%026%0.264CS..EExtended strand (participates in β ladder)trans-107.1120.2-170.5-48170.3000108.8L11 L13 L25 F28 F45 K46 L59 F162L11-I61 HydrophobicContact CB-CG1 4.34Å; L11-I61 HydrophobicContact CB-CG2 4.42Å; L11-I61 HydrophobicContact CD1-CG1 4.32Å; L13-I61 HydrophobicContact CD1-CG2 3.84Å; L13-I61 HydrophobicContact CG-CG2 4.33Å; L25-I61 HydrophobicContact CD1-CB 3.78Å; L25-I61 HydrophobicContact CD1-CD1 3.89Å; L25-I61 HydrophobicContact CD1-CG1 4.45Å; L25-I61 HydrophobicContact CD1-CG2 3.59Å; F28-I61 HydrophobicContact CD1-CD1 3.63Å; F28-I61 HydrophobicContact CE1-CD1 3.6Å; F45-I61 WeakPolarHBondContact CA-O 3.26Å; K46-I61 PolarHBondContact N-O 3.09Å; K46-I61 PolarHBondContact O-N 3.34Å; L59-I61 HydrophobicContact CB-CD1 4.28Å; L59-I61 HydrophobicContact CB-CG1 4.05Å; I61-F162 HydrophobicContact CD1-CD1 4.11Å; I61-F162 HydrophobicContact CD1-CE1 3.9Å; I61-F162 HydrophobicContact CG2-CE1 4.11Å
62W94.2Very high83.5Confident53 Ų5355.4 Ų55.420%0.20127%0.271CS..EExtended strand (participates in β ladder)trans-102.6115.6179.5-61.687000108.8L11 L12 L13 I43 F45 Y77L11-W62 PolarHBondContact O-N 3.48Å; L12-W62 HydrophobicContact CD1-CB 3.6Å; L13-W62 PolarHBondContact N-O 3.05Å; I43-W62 HydrophobicContact CG2-CE3 3.67Å; I43-W62 HydrophobicContact CG2-CZ3 4.35Å; F45-W62 HydrophobicContact CB-CE3 4.06Å; F45-W62 HydrophobicContact CB-CZ3 4.06Å; F45-W62 AromaticContact CD2-CD2 3.57Å; F45-W62 HydrophobicContact CD2-CD2 3.57Å; F45-W62 AromaticContact CD2-CE2 3.51Å; F45-W62 AromaticContact CD2-CE3 3.7Å; F45-W62 HydrophobicContact CD2-CE3 3.7Å; F45-W62 HydrophobicContact CD2-CG 4.18Å; F45-W62 AromaticContact CD2-CH2 3.89Å; F45-W62 HydrophobicContact CD2-CH2 3.89Å; F45-W62 AromaticContact CD2-CZ2 3.72Å; F45-W62 HydrophobicContact CD2-CZ2 3.72Å; F45-W62 AromaticContact CD2-CZ3 3.85Å; F45-W62 HydrophobicContact CD2-CZ3 3.85Å; F45-W62 AromaticContact CD2-NE1 3.96Å; F45-W62 HydrophobicContact CE2-CD2 4.14Å; F45-W62 AromaticContact CE2-CE2 3.6Å; F45-W62 HydrophobicContact CE2-CH2 4.21Å; F45-W62 AromaticContact CE2-CZ2 3.68Å; F45-W62 HydrophobicContact CE2-CZ2 3.68Å; F45-W62 AromaticContact CE2-NE1 3.77Å; F45-W62 HydrophobicContact CG-CE3 4.25Å; F45-W62 HydrophobicContact CG-CH2 4.35Å; F45-W62 HydrophobicContact CG-CZ3 4.14Å; W62-Y77 AromaticContact CD2-CD1 3.82Å; W62-Y77 HydrophobicContact CD2-CD1 3.82Å; W62-Y77 AromaticContact CD2-CE1 3.99Å; W62-Y77 HydrophobicContact CD2-CE1 3.99Å; W62-Y77 AromaticContact CE3-CD1 3.66Å; W62-Y77 HydrophobicContact CE3-CD1 3.66Å; W62-Y77 AromaticContact CE3-CE1 3.38Å; W62-Y77 HydrophobicContact CE3-CE1 3.38Å; W62-Y77 HydrophobicContact CG-CD1 4.26Å; W62-Y77 HydrophobicContact CH2-CE1 4.04Å; W62-Y77 HydrophobicContact CZ3-CD1 4.12Å; W62-Y77 AromaticContact CZ3-CE1 3.42Å; W62-Y77 HydrophobicContact CZ3-CE1 3.42Å; W62-Y77 VanDerWaalsContact CZ3-CE1 3.42Å
63D92.1Very high82.1Confident0 Ų057.8 Ų57.80%028%0.283CS..EExtended strand (participates in β ladder)trans-93.8128.5173.2179.238.7000110L13 K21 T22 L25 I43 D44L13-D63 HydrophobicContact CD1-CB 4.34Å; K21-D63 VanDerWaalsContact CB-OD1 3.24Å; K21-D63 WeakPolarHBondContact CB-OD1 3.14Å; T22-D63 WeakPolarHBondContact CA-OD2 3.37Å; T22-D63 VanDerWaalsContact CB-OD2 3.31Å; T22-D63 WeakPolarHBondContact CB-OD2 3.3Å; T22-D63 PolarHBondContact OG1-OD2 2.91Å; L25-D63 HydrophobicContact CD2-CB 3.6Å; I43-D63 CarbonylContact C-O 3.46Å; I43-D63 WeakPolarHBondContact CA-O 3.4Å; I43-D63 WeakPolarHBondContact CG2-O 3.44Å; D44-D63 HydrophobicContact CB-CB 4.3Å; D44-D63 PolarHBondContact N-O 3.46Å; D44-D63 PolarHBondContact O-N 3.41Å
64T86.7Confident80.9Confident1 Ų152.9 Ų52.91%0.00626%0.257CS..EExtended strand (participates in β ladder)trans-107.6144.6-174.263.20000111.9L12 L13 K21 I43 G66 T74L12-T64 HydrophobicContact CD1-CG2 3.48Å; L12-T64 VanDerWaalsContact CD1-CG2 3.48Å; L12-T64 HydrophobicContact CG-CG2 4.2Å; L13-T64 PolarHBondContact O-OG1 3.48Å; K21-T64 WeakPolarHBondContact CE-O 3.48Å; I43-T64 HydrophobicContact CD1-CG2 4.31Å; I43-T64 HydrophobicContact CG1-CG2 4.21Å; T64-G66 PolarHBondContact O-N 3.23Å; T64-T74 HydrophobicContact CG2-CG2 4.38Å
65A80.1Confident80.1Confident3 Ų352.7 Ų52.73%0.02525%0.245CC..  trans-61.5126.9166.100000110T40 G42 Q67 F70T40-A65 WeakPolarHBondContact O-CB 3.4Å; G42-A65 WeakPolarHBondContact O-CB 3.37Å; G42-A65 PolarHBondContact O-N 2.86Å; A65-Q67 VanDerWaalsContact C-N 3.27Å; A65-Q67 PolarHBondContact O-N 3.43Å; A65-F70 HydrophobicContact CB-CB 4.06Å; A65-F70 HydrophobicContact CB-CD2 3.53Å; A65-F70 HydrophobicContact CB-CE2 4.27Å; A65-F70 HydrophobicContact CB-CG 4.03Å
66G71Confident79.4Confident11 Ų1152.1 Ų52.111%0.11326%0.255CS..  trans-85.57.4178.400000114.5G15 S17 T64G15-G66 VanDerWaalsContact O-CA 3.26Å; G15-G66 WeakPolarHBondContact O-CA 3.34Å; S17-G66 PolarHBondContact N-O 3.47Å; S17-G66 VanDerWaalsContact N-O 3.07Å; T64-G66 PolarHBondContact O-N 3.23Å
67Q65.7Low78.9Confident39 Ų3949.8 Ų49.818%0.18224%0.244CC..SBendtrans-82.9139.7177.4-63.6-163.313.700110.6A65 R69 F70A65-Q67 VanDerWaalsContact C-N 3.27Å; A65-Q67 PolarHBondContact O-N 3.43Å; Q67-R69 PolarHBondContact O-N 2.89Å; Q67-R69 VanDerWaalsContact O-N 3.16Å; Q67-F70 HydrophobicContact CB-CD2 4.02Å; Q67-F70 HydrophobicContact CB-CE2 4.47Å; Q67-F70 PolarHBondContact O-N 3.13Å
68E59.7Low78.5Confident119 Ų11949.9 Ų49.956%0.55624%0.244SC*.G310 helixtrans-53.9-35.1178.666.3-63145.400113.2F70 R71E68-F70 PolarHBondContact O-N 2.8Å; E68-F70 VanDerWaalsContact O-N 3.08Å; E68-R71 WeakPolarHBondContact O-CB 3.21Å; E68-R71 VanDerWaalsContact O-CG 3.29Å; E68-R71 WeakPolarHBondContact O-CG 3.38Å; E68-R71 PolarHBondContact O-N 2.9Å; E68-R71 VanDerWaalsContact O-N 3.09Å
69R60.2Low78Confident179 Ų17957.3 Ų57.368%0.67527%0.271SS*.G310 helixtrans-59.4-20.2177.1-66.3-174.4-66.3161.91.3113.8Q67Q67-R69 PolarHBondContact O-N 2.89Å; Q67-R69 VanDerWaalsContact O-N 3.16Å
70F61.2Low77.6Confident48 Ų4859.8 Ų59.821%0.21130%0.296CS..G310 helixtrans-106.411.2-179.8-59.6-63.5000113.8I41 A65 Q67 E68 T72 I73 T74I41-F70 HydrophobicContact CG2-CZ 4.36Å; A65-F70 HydrophobicContact CB-CB 4.06Å; A65-F70 HydrophobicContact CB-CD2 3.53Å; A65-F70 HydrophobicContact CB-CE2 4.27Å; A65-F70 HydrophobicContact CB-CG 4.03Å; Q67-F70 HydrophobicContact CB-CD2 4.02Å; Q67-F70 HydrophobicContact CB-CE2 4.47Å; Q67-F70 PolarHBondContact O-N 3.13Å; E68-F70 PolarHBondContact O-N 2.8Å; E68-F70 VanDerWaalsContact O-N 3.08Å; F70-T72 VanDerWaalsContact C-N 3.27Å; F70-T72 PolarHBondContact O-N 2.81Å; F70-I73 HydrophobicContact CB-CD1 4.34Å; F70-I73 HydrophobicContact CD1-CD1 3.55Å; F70-I73 HydrophobicContact CD1-CG1 4.43Å; F70-I73 HydrophobicContact CE1-CD1 4.32Å; F70-I73 HydrophobicContact CG-CD1 4.35Å; F70-I73 WeakPolarHBondContact O-CB 3.42Å; F70-I73 PolarHBondContact O-N 2.81Å; F70-T74 PolarHBondContact O-N 3.23Å; F70-T74 PolarHBondContact O-OG1 2.62Å
71R61.7Low77.5Confident108 Ų10857.6 Ų57.641%0.40829%0.287SS..Hα-helixtrans-52.9-41.7178.9-79.9175.4179.2-138.12.3112.9E68 I73 T74 T75E68-R71 WeakPolarHBondContact O-CB 3.21Å; E68-R71 VanDerWaalsContact O-CG 3.29Å; E68-R71 WeakPolarHBondContact O-CG 3.38Å; E68-R71 PolarHBondContact O-N 2.9Å; E68-R71 VanDerWaalsContact O-N 3.09Å; R71-I73 VanDerWaalsContact C-N 3.27Å; R71-I73 PolarHBondContact O-N 3.25Å; R71-T74 WeakPolarHBondContact O-CB 3.33Å; R71-T74 PolarHBondContact O-N 2.83Å; R71-T74 VanDerWaalsContact O-N 3.11Å; R71-T75 PolarHBondContact O-N 2.67Å
72T60.5Low77.6Confident122 Ų12260.5 Ų60.575%0.74830%0.301SS*.Hα-helixtrans-61.2-34.3177.5-460000112.8F70 T74F70-T72 VanDerWaalsContact C-N 3.27Å; F70-T72 PolarHBondContact O-N 2.81Å; T72-T74 VanDerWaalsContact C-N 3.31Å
73I64.9Low77.7Confident68 Ų6858 Ų5835%0.34929%0.292SS..Hα-helixtrans-67.2-38.5178.4-55.7-173.6000109.6I43 F70 R71 T75 A76 Y77I43-I73 HydrophobicContact CD1-CG2 3.57Å; I43-I73 HydrophobicContact CG1-CG2 4.13Å; F70-I73 HydrophobicContact CB-CD1 4.34Å; F70-I73 HydrophobicContact CD1-CD1 3.55Å; F70-I73 HydrophobicContact CD1-CG1 4.43Å; F70-I73 HydrophobicContact CE1-CD1 4.32Å; F70-I73 HydrophobicContact CG-CD1 4.35Å; F70-I73 WeakPolarHBondContact O-CB 3.42Å; F70-I73 PolarHBondContact O-N 2.81Å; R71-I73 VanDerWaalsContact C-N 3.27Å; R71-I73 PolarHBondContact O-N 3.25Å; I73-T75 VanDerWaalsContact C-N 3.29Å; I73-T75 PolarHBondContact O-N 2.78Å; I73-A76 PolarHBondContact O-N 3.46Å; I73-Y77 HydrophobicContact CG2-CE2 4.1Å; I73-Y77 WeakPolarHBondContact O-CD2 3.39Å
74T69.9Low78Confident6 Ų658 Ų584%0.03729%0.292CS..Hα-helixtrans-62.5-35.6-177.3-500000112.1I14 T64 F70 R71 T72 A76 Y77 Y78I14-T74 HydrophobicContact CG2-CG2 4.35Å; T64-T74 HydrophobicContact CG2-CG2 4.38Å; F70-T74 PolarHBondContact O-N 3.23Å; F70-T74 PolarHBondContact O-OG1 2.62Å; R71-T74 WeakPolarHBondContact O-CB 3.33Å; R71-T74 PolarHBondContact O-N 2.83Å; R71-T74 VanDerWaalsContact O-N 3.11Å; T72-T74 VanDerWaalsContact C-N 3.31Å; T74-A76 VanDerWaalsContact C-N 3.3Å; T74-A76 PolarHBondContact O-N 2.7Å; T74-Y77 PolarHBondContact O-N 2.67Å; T74-Y78 HydrophobicContact CG2-CE2 3.77Å; T74-Y78 PolarHBondContact O-N 3.3Å
75T76.3Confident78.5Confident54 Ų5458 Ų5833%0.33129%0.291SS..Hα-helixtrans-56.2-41-176.1-590000113.4R71 I73 Y77 H109R71-T75 PolarHBondContact O-N 2.67Å; I73-T75 VanDerWaalsContact C-N 3.29Å; I73-T75 PolarHBondContact O-N 2.78Å; T75-Y77 PolarHBondContact O-N 3.43Å; T75-H109 HydrophobicContact CG2-CB 4.27Å; T75-H109 WeakPolarHBondContact CG2-CD2 3.36Å
76A81.1Confident79.3Confident69 Ų6957.9 Ų57.957%0.5729%0.291SS*.Hα-helixtrans-65.7-25.7-179.800000113.2I73 T74I73-A76 PolarHBondContact O-N 3.46Å; T74-A76 VanDerWaalsContact C-N 3.3Å; T74-A76 PolarHBondContact O-N 2.7Å
77Y85.4Confident80.6Confident65 Ų6557.4 Ų57.426%0.25529%0.285SS..Hα-helixtrans-89.6-19.5-173.3-70.4-97.7000113.4K10 I43 W62 I73 T74 T75 R79K10-Y77 WeakPolarHBondContact CE-O 3.36Å; K10-Y77 PolarHBondContact NZ-O 3.05Å; K10-Y77 VanDerWaalsContact NZ-O 3.13Å; I43-Y77 HydrophobicContact CD1-CD1 3.93Å; I43-Y77 HydrophobicContact CD1-CD2 3.14Å; I43-Y77 HydrophobicContact CD1-CE1 3.83Å; I43-Y77 HydrophobicContact CD1-CE2 3.03Å; I43-Y77 HydrophobicContact CD1-CG 3.59Å; I43-Y77 HydrophobicContact CG1-CE2 4.42Å; I43-Y77 HydrophobicContact CG2-CD1 4.47Å; I43-Y77 HydrophobicContact CG2-CE1 4.09Å; W62-Y77 AromaticContact CD2-CD1 3.82Å; W62-Y77 HydrophobicContact CD2-CD1 3.82Å; W62-Y77 AromaticContact CD2-CE1 3.99Å; W62-Y77 HydrophobicContact CD2-CE1 3.99Å; W62-Y77 AromaticContact CE3-CD1 3.66Å; W62-Y77 HydrophobicContact CE3-CD1 3.66Å; W62-Y77 AromaticContact CE3-CE1 3.38Å; W62-Y77 HydrophobicContact CE3-CE1 3.38Å; W62-Y77 HydrophobicContact CG-CD1 4.26Å; W62-Y77 HydrophobicContact CH2-CE1 4.04Å; W62-Y77 HydrophobicContact CZ3-CD1 4.12Å; W62-Y77 AromaticContact CZ3-CE1 3.42Å; W62-Y77 HydrophobicContact CZ3-CE1 3.42Å; W62-Y77 VanDerWaalsContact CZ3-CE1 3.42Å; I73-Y77 HydrophobicContact CG2-CE2 4.1Å; I73-Y77 WeakPolarHBondContact O-CD2 3.39Å; T74-Y77 PolarHBondContact O-N 2.67Å; T75-Y77 PolarHBondContact O-N 3.43Å; Y77-R79 PolarHBondContact O-N 3.41Å
78Y89.1Confident82.2Confident2 Ų255.5 Ų55.51%0.00828%0.276CS..Hα-helixtrans-58.3-34.5167.8-70.8-59.9000111.7L12 I14 T74 G80 A81 I84 N105 I106 H109 A110L12-Y78 HydrophobicContact CD2-CD1 3.7Å; L12-Y78 HydrophobicContact CD2-CE1 3.8Å; L12-Y78 HydrophobicContact CD2-CG 4.4Å; I14-Y78 HydrophobicContact CD1-CE1 4.25Å; I14-Y78 HydrophobicContact CG2-CE1 4.3Å; T74-Y78 HydrophobicContact CG2-CE2 3.77Å; T74-Y78 PolarHBondContact O-N 3.3Å; Y78-G80 PolarHBondContact O-N 3.12Å; Y78-G80 VanDerWaalsContact O-N 3.13Å; Y78-A81 WeakPolarHBondContact O-CB 3.03Å; Y78-A81 PolarHBondContact O-N 3.06Å; Y78-I84 HydrophobicContact CD1-CD1 3.78Å; Y78-I84 HydrophobicContact CE1-CD1 4.02Å; Y78-N105 HydrophobicContact CE2-CB 4.28Å; Y78-I106 HydrophobicContact CD1-CG1 4.43Å; Y78-I106 HydrophobicContact CE1-CG1 3.72Å; Y78-H109 HydrophobicContact CD2-CB 3.58Å; Y78-H109 HydrophobicContact CE2-CB 4.4Å; Y78-H109 HydrophobicContact CG-CB 4.02Å; Y78-A110 HydrophobicContact CD1-CB 4.22Å; Y78-A110 HydrophobicContact CG-CB 4.46Å
79R86.5Confident84Confident207 Ų20750.2 Ų50.278%0.78125%0.252SS*.THydrogen-bonded Turntrans-60.8119.9177.9-172.3178-71.3166-1.7110.5K10 Y77 A81K10-R79 PolarHBondContact NZ-O 3.3Å; Y77-R79 PolarHBondContact O-N 3.41Å; R79-A81 PolarHBondContact O-N 3.43Å
80G90.5Very high85.9Confident52 Ų5241.7 Ų41.754%0.53622%0.22SC..THydrogen-bonded Turntrans74.75.918000000114.9Y78 M82Y78-G80 PolarHBondContact O-N 3.12Å; Y78-G80 VanDerWaalsContact O-N 3.13Å; G80-M82 PolarHBondContact O-N 2.9Å
81A95.1Very high87.6Confident3 Ų340.6 Ų40.63%0.02522%0.217CC..  trans-63129167.300000108.8L12 Y78 R79 I84 V114L12-A81 HydrophobicContact CB-CB 4.47Å; Y78-A81 WeakPolarHBondContact O-CB 3.03Å; Y78-A81 PolarHBondContact O-N 3.06Å; R79-A81 PolarHBondContact O-N 3.43Å; A81-I84 HydrophobicContact CB-CD1 4.48Å; A81-I84 HydrophobicContact CB-CG1 4.24Å; A81-V114 HydrophobicContact CB-CG2 4.46Å; A81-V114 WeakPolarHBondContact O-CG2 3.26Å
82M97.1Very high89.4Confident62 Ų6238.2 Ų38.231%0.30521%0.212SC..SBendtrans-95.7-28.7177.7-61.1176.672.200110.9F9 K10 G80 E115 I169F9-M82 HydrophobicContact CB-SD 4.33Å; F9-M82 HydrophobicContact CD1-CE 3.51Å; F9-M82 HydrophobicContact CD1-SD 3.79Å; F9-M82 HydrophobicContact CE1-CE 3.83Å; F9-M82 HydrophobicContact CG-CE 4.49Å; F9-M82 HydrophobicContact CG-SD 4.46Å; K10-M82 PolarHBondContact O-N 2.74Å; G80-M82 PolarHBondContact O-N 2.9Å; M82-E115 PolarHBondContact O-N 2.71Å; M82-I169 HydrophobicContact CB-CD1 4.12Å; M82-I169 HydrophobicContact CB-CG1 4.46Å; M82-I169 HydrophobicContact CB-CG2 3.94Å; M82-I169 HydrophobicContact CE-CG2 3.62Å
83G97.8Very high91.2Very high0 Ų034.4 Ų34.40%019%0.186CC..EExtended strand (participates in β ladder)trans-141.9149.5172.200000112.7K10 L11 L12 E115K10-G83 PolarHBondContact O-N 2.86Å; L11-G83 VanDerWaalsContact CA-O 3.29Å; L11-G83 WeakPolarHBondContact CA-O 3.22Å; L12-G83 PolarHBondContact N-O 3.24Å; G83-E115 CarbonylContact C-O 3.58Å; G83-E115 VanDerWaalsContact CA-O 3.22Å; G83-E115 WeakPolarHBondContact CA-O 3.29Å
84I97.2Very high92.7Very high0 Ų037.8 Ų37.80%020%0.198CC..EExtended strand (participates in β ladder)trans-130.3128.3179.5-58.4177.8000109.5L12 I14 Y78 A81 L86 I106 A110 V114 E115 K116 I117L12-I84 HydrophobicContact CB-CG1 4.24Å; L12-I84 CarbonylContact O-C 3.59Å; L12-I84 WeakPolarHBondContact O-CA 3.39Å; I14-I84 HydrophobicContact CD1-CG2 3.76Å; I14-I84 HydrophobicContact CG1-CG2 3.76Å; I14-I84 HydrophobicContact CG2-CG2 4.37Å; Y78-I84 HydrophobicContact CD1-CD1 3.78Å; Y78-I84 HydrophobicContact CE1-CD1 4.02Å; A81-I84 HydrophobicContact CB-CD1 4.48Å; A81-I84 HydrophobicContact CB-CG1 4.24Å; I84-L86 HydrophobicContact CG2-CD1 4.16Å; I84-L86 HydrophobicContact CG2-CG 4.33Å; I84-I106 HydrophobicContact CB-CD1 4.35Å; I84-I106 HydrophobicContact CD1-CB 4.42Å; I84-I106 HydrophobicContact CD1-CD1 4.01Å; I84-I106 HydrophobicContact CD1-CG1 3.83Å; I84-I106 HydrophobicContact CD1-CG2 3.8Å; I84-I106 HydrophobicContact CG2-CD1 3.82Å; I84-I106 HydrophobicContact CG2-CG1 4.45Å; I84-A110 HydrophobicContact CD1-CB 4.21Å; I84-V114 HydrophobicContact CD1-CG1 4.38Å; I84-V114 HydrophobicContact CD1-CG2 3.81Å; I84-V114 HydrophobicContact CG1-CG2 3.72Å; I84-E115 PolarHBondContact N-O 2.89Å; I84-K116 WeakPolarHBondContact O-CA 3.49Å; I84-I117 PolarHBondContact O-N 2.77Å
85L98.1Very high94Very high0 Ų037.6 Ų37.60%020%0.197CC..EExtended strand (participates in β ladder)trans-98.7113.4170.9-57.199000108.2L11 L12 L13 I14 I117 L119 F162 L165L11-L85 HydrophobicContact CB-CD1 4.29Å; L12-L85 PolarHBondContact O-N 2.97Å; L13-L85 HydrophobicContact CD2-CB 3.69Å; L13-L85 HydrophobicContact CD2-CD1 4.1Å; L13-L85 HydrophobicContact CD2-CD2 4.37Å; L13-L85 HydrophobicContact CD2-CG 4.25Å; L13-L85 HydrophobicContact CG-CD1 4.31Å; I14-L85 PolarHBondContact N-O 2.95Å; L85-I117 HydrophobicContact CB-CG2 4.25Å; L85-I117 HydrophobicContact CD2-CG2 4.1Å; L85-I117 HydrophobicContact CG-CG2 3.89Å; L85-L119 HydrophobicContact CB-CD1 4.2Å; L85-L119 HydrophobicContact CD2-CD1 3.81Å; L85-F162 HydrophobicContact CD1-CD1 4.24Å; L85-F162 HydrophobicContact CD1-CE1 3.89Å; L85-F162 HydrophobicContact CD2-CD1 4.01Å; L85-F162 HydrophobicContact CD2-CE1 3.9Å; L85-F162 HydrophobicContact CD2-CE2 4.49Å; L85-F162 HydrophobicContact CD2-CG 4.36Å; L85-F162 HydrophobicContact CD2-CZ 4.16Å; L85-L165 HydrophobicContact CD1-CD2 3.65Å; L85-L165 HydrophobicContact CD2-CD2 4.42Å; L85-L165 HydrophobicContact CG-CD2 3.68Å
86L97Very high95.1Very high2 Ų235.8 Ų35.81%0.0118%0.184CC..EExtended strand (participates in β ladder)trans-94.2112.3177.3-63.894.1000109.3I14 I84 I99 W102 V103 I106 K116 I117 I118 L119I14-L86 HydrophobicContact CD1-CD2 4.18Å; I14-L86 HydrophobicContact CD1-CG 4.01Å; I14-L86 HydrophobicContact CG1-CB 4.48Å; I14-L86 HydrophobicContact CG1-CG 4.03Å; I84-L86 HydrophobicContact CG2-CD1 4.16Å; I84-L86 HydrophobicContact CG2-CG 4.33Å; L86-I99 HydrophobicContact CB-CD1 4.27Å; L86-I99 HydrophobicContact CD2-CG2 4.32Å; L86-W102 HydrophobicContact CD2-CB 4.2Å; L86-V103 HydrophobicContact CD2-CG2 3.65Å; L86-I106 HydrophobicContact CD1-CD1 3.84Å; L86-I106 HydrophobicContact CD2-CD1 3.68Å; L86-I106 HydrophobicContact CG-CD1 3.9Å; L86-K116 HydrophobicContact CD1-CB 4.04Å; L86-I117 PolarHBondContact N-O 2.85Å; L86-I118 HydrophobicContact CB-CG1 4.26Å; L86-I118 CarbonylContact O-C 3.59Å; L86-I118 WeakPolarHBondContact O-CA 3.28Å; L86-L119 PolarHBondContact O-N 3.05Å
87V98.2Very high95.8Very high0 Ų037.8 Ų37.80%018%0.182CC..EExtended strand (participates in β ladder)trans-108.7129.2-171.4-166.90000110.7L13 I14 G15 V19 K21 L24 L119 N121L13-V87 HydrophobicContact CD2-CG2 4.1Å; I14-V87 PolarHBondContact O-N 2.95Å; G15-V87 WeakPolarHBondContact CA-O 3.32Å; V19-V87 HydrophobicContact CB-CG1 4.29Å; V19-V87 HydrophobicContact CG2-CB 3.89Å; V19-V87 HydrophobicContact CG2-CG1 3.81Å; K21-V87 HydrophobicContact CG-CB 4.03Å; K21-V87 HydrophobicContact CG-CG2 4.05Å; L24-V87 HydrophobicContact CD1-CG1 3.82Å; L24-V87 HydrophobicContact CD1-CG2 4.14Å; V87-L119 HydrophobicContact CG1-CB 4.36Å; V87-L119 HydrophobicContact CG2-CB 4.32Å; V87-L119 HydrophobicContact CG2-CD1 4.09Å; V87-L119 HydrophobicContact CG2-CG 4.42Å; V87-N121 HydrophobicContact CG1-CB 3.82Å
88Y98.4Very high96.3Very high0 Ų036.1 Ų36.10%018%0.178CC..EExtended strand (participates in β ladder)trans-121168.2162.774.5-87.3000110.4I90 F96 I99 I118 L119 G120 N121 V131 F147Y88-I90 HydrophobicContact CE2-CG2 3.93Å; Y88-F96 HydrophobicContact CD1-CD2 4.13Å; Y88-F96 HydrophobicContact CD2-CB 3.77Å; Y88-F96 HydrophobicContact CD2-CD2 4.03Å; Y88-F96 HydrophobicContact CD2-CG 4.39Å; Y88-F96 AromaticContact CE1-CD2 3.93Å; Y88-F96 HydrophobicContact CE1-CD2 3.93Å; Y88-F96 HydrophobicContact CE1-CE2 4.45Å; Y88-F96 HydrophobicContact CE2-CB 4.22Å; Y88-F96 AromaticContact CE2-CD2 3.85Å; Y88-F96 HydrophobicContact CE2-CD2 3.85Å; Y88-F96 HydrophobicContact CE2-CG 4.43Å; Y88-F96 HydrophobicContact CG-CB 4.15Å; Y88-F96 HydrophobicContact CG-CD2 4.18Å; Y88-F96 AromaticContact CZ-CD2 3.8Å; Y88-I99 HydrophobicContact CD1-CD1 4.46Å; Y88-I99 HydrophobicContact CD1-CG1 4.25Å; Y88-I99 HydrophobicContact CG-CG1 4.49Å; Y88-I118 HydrophobicContact CD1-CG2 3.95Å; Y88-I118 HydrophobicContact CE1-CG2 3.8Å; Y88-L119 WeakPolarHBondContact CD1-O 3.32Å; Y88-L119 PolarHBondContact N-O 2.86Å; Y88-G120 VanDerWaalsContact CE1-CA 3.5Å; Y88-G120 VanDerWaalsContact CZ-CA 3.47Å; Y88-N121 PolarHBondContact O-N 3.13Å; Y88-V131 HydrophobicContact CE2-CB 3.95Å; Y88-V131 HydrophobicContact CE2-CG1 3.79Å; Y88-V131 HydrophobicContact CE2-CG2 4.21Å; Y88-F147 AromaticContact CE1-CE2 3.93Å; Y88-F147 HydrophobicContact CE1-CE2 3.93Å; Y88-F147 WeakPolarHBondContact OH-CE2 3.43Å; Y88-F147 WeakPolarHBondContact OH-CZ 3.24Å
89D98.4Very high96.6Very high8 Ų836 Ų364%0.04318%0.177CC..EExtended strand (participates in β ladder)trans-104.3122.9176.1175.4-2.2000109.5V19 T91 N92 S95 K122V19-D89 HydrophobicContact CB-CB 4.19Å; V19-D89 HydrophobicContact CG1-CB 4.15Å; D89-T91 PolarHBondContact O-N 2.88Å; D89-T91 VanDerWaalsContact O-N 3.1Å; D89-T91 PolarHBondContact OD1-N 3.3Å; D89-T91 PolarHBondContact OD1-OG1 3.1Å; D89-T91 VanDerWaalsContact OD1-OG1 3.05Å; D89-T91 PolarHBondContact OD2-OG1 2.9Å; D89-N92 HydrophobicContact CB-CB 4.05Å; D89-N92 PolarHBondContact O-N 3.43Å; D89-S95 PolarHBondContact N-OG 2.85Å; D89-S95 PolarHBondContact O-OG 2.82Å; D89-K122 WeakPolarHBondContact OD1-CD 3.22Å; D89-K122 WeakPolarHBondContact OD2-CD 3.28Å; D89-K122 VanDerWaalsContact OD2-CE 3.23Å; D89-K122 WeakPolarHBondContact OD2-CE 3.4Å; D89-K122 IonicContact OD2-NZ 2.68Å; D89-K122 PolarHBondContact OD2-NZ 3.15Å
90I98.7Very high97Very high0 Ų031.1 Ų31.10%016%0.161CC..THydrogen-bonded Turntrans-62.5-18.7-178.565.4147.5000113.4Y88 N121 K122 C123 R129 Q130 V131Y88-I90 HydrophobicContact CE2-CG2 3.93Å; I90-N121 WeakPolarHBondContact CG1-O 3.47Å; I90-N121 PolarHBondContact N-O 3.28Å; I90-K122 WeakPolarHBondContact CD1-O 3.29Å; I90-K122 WeakPolarHBondContact CG1-O 3.45Å; I90-C123 HydrophobicContact CD1-CB 4.44Å; I90-R129 HydrophobicContact CD1-CB 4.19Å; I90-R129 HydrophobicContact CD1-CG 4.17Å; I90-R129 VanDerWaalsContact CD1-CZ 3.42Å; I90-Q130 PolarHBondContact O-N 2.68Å; I90-V131 PolarHBondContact O-N 2.88Å
91T98.5Very high97.1Very high24 Ų2431.2 Ų31.215%0.14715%0.15CC..THydrogen-bonded Turntrans-93.46.2177.579.40000112.7D89 M125 Q128 Q130D89-T91 PolarHBondContact O-N 2.88Å; D89-T91 VanDerWaalsContact O-N 3.1Å; D89-T91 PolarHBondContact OD1-N 3.3Å; D89-T91 PolarHBondContact OD1-OG1 3.1Å; D89-T91 VanDerWaalsContact OD1-OG1 3.05Å; D89-T91 PolarHBondContact OD2-OG1 2.9Å; T91-M125 HydrophobicContact CG2-CB 3.58Å; T91-M125 HydrophobicContact CG2-CE 4.3Å; T91-M125 HydrophobicContact CG2-SD 4.35Å; T91-Q128 WeakPolarHBondContact CA-O 3.18Å; T91-Q128 VanDerWaalsContact CB-O 3.27Å; T91-Q128 WeakPolarHBondContact CB-O 3.43Å; T91-Q128 HydrophobicContact CG2-CB 3.79Å; T91-Q130 PolarHBondContact O-NE2 3.11Å; T91-Q130 PolarHBondContact O-OE1 3.35Å
92N97.9Very high97Very high59 Ų5931.5 Ų31.532%0.31615%0.15SC..  trans-13796.2-177.3-177.5-18.7000110.8D89 K94 S95 F96D89-N92 HydrophobicContact CB-CB 4.05Å; D89-N92 PolarHBondContact O-N 3.43Å; N92-K94 VanDerWaalsContact C-N 3.29Å; N92-K94 PolarHBondContact O-N 2.97Å; N92-K94 WeakPolarHBondContact OD1-CB 3.26Å; N92-K94 PolarHBondContact OD1-N 3.17Å; N92-S95 WeakPolarHBondContact O-CB 3.19Å; N92-S95 PolarHBondContact O-N 3.1Å; N92-S95 VanDerWaalsContact O-N 3.08Å; N92-S95 PolarHBondContact O-OG 2.88Å; N92-S95 PolarHBondContact OD1-N 3.42Å; N92-F96 PolarHBondContact O-N 3.09Å
93E98Very high96.8Very high41 Ų4128.9 Ų28.919%0.19214%0.138CC..Hα-helixtrans-52.6-43.1179.3-173.763.4-148.500112.9S95 F96 E97 Q130 V131 R135E93-S95 VanDerWaalsContact C-N 3.27Å; E93-S95 PolarHBondContact O-N 2.51Å; E93-F96 WeakPolarHBondContact O-CB 3.45Å; E93-F96 PolarHBondContact O-N 3.48Å; E93-E97 PolarHBondContact O-N 2.95Å; E93-Q130 HydrophobicContact CB-CB 4.38Å; E93-V131 WeakPolarHBondContact OE2-CG2 3.3Å; E93-R135 IonicContact OE1-CZ 3.77Å; E93-R135 IonicContact OE1-NH1 3.99Å; E93-R135 PolarHBondContact OE1-NH1 3.28Å; E93-R135 IonicContact OE1-NH2 2.68Å; E93-R135 PolarHBondContact OE1-NH2 3.14Å; E93-R135 IonicContact OE2-CZ 2.71Å; E93-R135 IonicContact OE2-NH1 3.85Å; E93-R135 PolarHBondContact OE2-NH1 3.13Å
94K97.3Very high96.6Very high140 Ų14035.7 Ų35.761%0.60916%0.163SC*.Hα-helixtrans-61.2-37.2-179.7-176.7178.2-179.6178.40112.2N92 F96 E97 N98N92-K94 VanDerWaalsContact C-N 3.29Å; N92-K94 PolarHBondContact O-N 2.97Å; N92-K94 WeakPolarHBondContact OD1-CB 3.26Å; N92-K94 PolarHBondContact OD1-N 3.17Å; K94-F96 VanDerWaalsContact C-N 3.26Å; K94-F96 PolarHBondContact O-N 3.2Å; K94-E97 PolarHBondContact O-N 3.32Å; K94-N98 WeakPolarHBondContact O-CB 3.43Å; K94-N98 PolarHBondContact O-N 2.97Å; K94-N98 PolarHBondContact O-ND2 2.84Å
95S97.3Very high96.2Very high1 Ų137.2 Ų37.21%0.00717%0.172CC..Hα-helixtrans-65.9-32.1177.477.80000112.4D89 N92 E93D89-S95 PolarHBondContact N-OG 2.85Å; D89-S95 PolarHBondContact O-OG 2.82Å; N92-S95 WeakPolarHBondContact O-CB 3.19Å; N92-S95 PolarHBondContact O-N 3.1Å; N92-S95 VanDerWaalsContact O-N 3.08Å; N92-S95 PolarHBondContact O-OG 2.88Å; N92-S95 PolarHBondContact OD1-N 3.42Å; E93-S95 VanDerWaalsContact C-N 3.27Å; E93-S95 PolarHBondContact O-N 2.51Å
96F98.4Very high96Very high16 Ų1637.3 Ų37.37%0.0717%0.172CC..Hα-helixtrans-72.4-46.2174.4170.8-101.1000111.7Y88 N92 E93 K94 N98 I99 V131 R135 L139Y88-F96 HydrophobicContact CD1-CD2 4.13Å; Y88-F96 HydrophobicContact CD2-CB 3.77Å; Y88-F96 HydrophobicContact CD2-CD2 4.03Å; Y88-F96 HydrophobicContact CD2-CG 4.39Å; Y88-F96 AromaticContact CE1-CD2 3.93Å; Y88-F96 HydrophobicContact CE1-CD2 3.93Å; Y88-F96 HydrophobicContact CE1-CE2 4.45Å; Y88-F96 HydrophobicContact CE2-CB 4.22Å; Y88-F96 AromaticContact CE2-CD2 3.85Å; Y88-F96 HydrophobicContact CE2-CD2 3.85Å; Y88-F96 HydrophobicContact CE2-CG 4.43Å; Y88-F96 HydrophobicContact CG-CB 4.15Å; Y88-F96 HydrophobicContact CG-CD2 4.18Å; Y88-F96 AromaticContact CZ-CD2 3.8Å; N92-F96 PolarHBondContact O-N 3.09Å; E93-F96 WeakPolarHBondContact O-CB 3.45Å; E93-F96 PolarHBondContact O-N 3.48Å; K94-F96 VanDerWaalsContact C-N 3.26Å; K94-F96 PolarHBondContact O-N 3.2Å; F96-N98 PolarHBondContact O-N 3.45Å; F96-I99 VanDerWaalsContact O-CB 3.28Å; F96-I99 WeakPolarHBondContact O-CB 3.43Å; F96-I99 WeakPolarHBondContact O-CG1 3.3Å; F96-I99 PolarHBondContact O-N 2.82Å; F96-I99 VanDerWaalsContact O-N 3.08Å; F96-V131 HydrophobicContact CB-CG1 4.37Å; F96-V131 HydrophobicContact CB-CG2 3.64Å; F96-V131 HydrophobicContact CD1-CG1 4.17Å; F96-V131 HydrophobicContact CD1-CG2 4.29Å; F96-V131 HydrophobicContact CD2-CG1 3.71Å; F96-V131 HydrophobicContact CE1-CG1 4.4Å; F96-V131 HydrophobicContact CE2-CG1 3.96Å; F96-V131 HydrophobicContact CG-CG1 3.82Å; F96-V131 HydrophobicContact CG-CG2 3.91Å; F96-V131 HydrophobicContact CZ-CG1 4.3Å; F96-R135 HydrophobicContact CZ-CB 4.13Å; F96-L139 HydrophobicContact CD2-CD2 4.1Å; F96-L139 HydrophobicContact CE2-CB 4.03Å; F96-L139 HydrophobicContact CE2-CD2 3.5Å; F96-L139 HydrophobicContact CE2-CG 4.34Å; F96-L139 HydrophobicContact CZ-CB 4.03Å; F96-L139 HydrophobicContact CZ-CD2 3.89Å; F96-L139 HydrophobicContact CZ-CG 4.4Å
97E97.2Very high95.8Very high112 Ų11243.1 Ų43.152%0.52320%0.199SC..Hα-helixtrans-57.8-38.6175.3-67.7177.7163.400112E93 K94 I99 K100E93-E97 PolarHBondContact O-N 2.95Å; K94-E97 PolarHBondContact O-N 3.32Å; E97-I99 PolarHBondContact O-N 2.98Å; E97-K100 PolarHBondContact O-N 3.22Å
98N95.7Very high95.5Very high30 Ų3048.9 Ų48.916%0.1623%0.226CC..THydrogen-bonded Turntrans-67.9-14179.1-81.6-27.1000114.4D16 K94 F96 K100 N101 W102D16-N98 PolarHBondContact OD2-ND2 3.42Å; K94-N98 WeakPolarHBondContact O-CB 3.43Å; K94-N98 PolarHBondContact O-N 2.97Å; K94-N98 PolarHBondContact O-ND2 2.84Å; F96-N98 PolarHBondContact O-N 3.45Å; N98-K100 PolarHBondContact O-N 3.42Å; N98-N101 WeakPolarHBondContact O-CB 3.48Å; N98-N101 PolarHBondContact O-N 2.84Å; N98-N101 PolarHBondContact OD1-ND2 2.91Å; N98-W102 PolarHBondContact O-N 3.21Å; N98-W102 VanDerWaalsContact O-N 3.15Å
99I95.7Very high95.1Very high0 Ų052.4 Ų52.40%024%0.242CC..Hα-helixtrans-54.6-35.9173.9-66.8-62.1000111.2L86 Y88 F96 E97 N101 W102 V103 I118 L139L86-I99 HydrophobicContact CB-CD1 4.27Å; L86-I99 HydrophobicContact CD2-CG2 4.32Å; Y88-I99 HydrophobicContact CD1-CD1 4.46Å; Y88-I99 HydrophobicContact CD1-CG1 4.25Å; Y88-I99 HydrophobicContact CG-CG1 4.49Å; F96-I99 VanDerWaalsContact O-CB 3.28Å; F96-I99 WeakPolarHBondContact O-CB 3.43Å; F96-I99 WeakPolarHBondContact O-CG1 3.3Å; F96-I99 PolarHBondContact O-N 2.82Å; F96-I99 VanDerWaalsContact O-N 3.08Å; E97-I99 PolarHBondContact O-N 2.98Å; I99-N101 VanDerWaalsContact C-N 3.27Å; I99-N101 PolarHBondContact O-N 3.39Å; I99-W102 WeakPolarHBondContact O-CB 3.4Å; I99-W102 PolarHBondContact O-N 3.23Å; I99-W102 VanDerWaalsContact O-N 3.08Å; I99-V103 HydrophobicContact CG2-CG2 4.11Å; I99-V103 WeakPolarHBondContact O-CG2 3.46Å; I99-V103 PolarHBondContact O-N 2.81Å; I99-I118 HydrophobicContact CG2-CD1 4.17Å; I99-L139 HydrophobicContact CB-CD2 3.94Å; I99-L139 HydrophobicContact CG1-CD2 4.46Å; I99-L139 HydrophobicContact CG2-CD2 3.72Å
100K94.3Very high94.8Very high103 Ų10352.8 Ų52.845%0.44825%0.247SC..Hα-helixtrans-58.4-39.8176.9-57.6-167.2170.5-174.50112.5E97 N98 R104 Y143E97-K100 PolarHBondContact O-N 3.22Å; N98-K100 PolarHBondContact O-N 3.42Å; K100-R104 PolarHBondContact O-N 3.4Å; K100-R104 VanDerWaalsContact O-N 3.14Å; K100-Y143 WeakPolarHBondContact CG-OH 3.38Å
101N92.9Very high94.5Very high55 Ų5555.6 Ų55.629%0.29427%0.266SS..Hα-helixtrans-70-38.9176.8-64.6-38.4000111.4N98 I99 R104 N105N98-N101 WeakPolarHBondContact O-CB 3.48Å; N98-N101 PolarHBondContact O-N 2.84Å; N98-N101 PolarHBondContact OD1-ND2 2.91Å; I99-N101 VanDerWaalsContact C-N 3.27Å; I99-N101 PolarHBondContact O-N 3.39Å; N101-R104 PolarHBondContact O-N 3.18Å; N101-N105 VanDerWaalsContact O-CG 3.3Å; N101-N105 PolarHBondContact O-N 2.79Å; N101-N105 VanDerWaalsContact O-N 3.12Å; N101-N105 PolarHBondContact O-ND2 2.93Å
102W93Very high94.2Very high8 Ų861.6 Ų61.63%0.0330%0.303CS..Hα-helixtrans-64.5-42.2175.5-69.6111.4000112I14 G15 D16 L86 N98 I99 N105 I106I14-W102 HydrophobicContact CB-CE3 4.04Å; I14-W102 HydrophobicContact CB-CZ3 4.26Å; I14-W102 HydrophobicContact CD1-CB 3.99Å; I14-W102 HydrophobicContact CD1-CD2 4.46Å; I14-W102 HydrophobicContact CD1-CE3 3.99Å; I14-W102 HydrophobicContact CG1-CE3 4.36Å; G15-W102 VanDerWaalsContact C-CZ2 3.42Å; G15-W102 WeakPolarHBondContact O-CZ2 3.48Å; D16-W102 PolarHBondContact OD1-NE1 3.15Å; L86-W102 HydrophobicContact CD2-CB 4.2Å; N98-W102 PolarHBondContact O-N 3.21Å; N98-W102 VanDerWaalsContact O-N 3.15Å; I99-W102 WeakPolarHBondContact O-CB 3.4Å; I99-W102 PolarHBondContact O-N 3.23Å; I99-W102 VanDerWaalsContact O-N 3.08Å; W102-N105 PolarHBondContact O-N 2.65Å; W102-I106 WeakPolarHBondContact O-CG1 3.36Å; W102-I106 PolarHBondContact O-N 3.42Å; W102-I106 VanDerWaalsContact O-N 3.07Å
103V93.3Very high93.9Very high7 Ų762.4 Ų62.44%0.04231%0.308CS..Hα-helixtrans-60.8-46.5175.6173.30000111.1L86 I99 N105 I106 E107 Y143L86-V103 HydrophobicContact CD2-CG2 3.65Å; I99-V103 HydrophobicContact CG2-CG2 4.11Å; I99-V103 WeakPolarHBondContact O-CG2 3.46Å; I99-V103 PolarHBondContact O-N 2.81Å; V103-N105 VanDerWaalsContact C-N 3.3Å; V103-N105 PolarHBondContact O-N 3.34Å; V103-I106 WeakPolarHBondContact O-CB 3.43Å; V103-I106 PolarHBondContact O-N 3.47Å; V103-E107 HydrophobicContact CG1-CG 4.42Å; V103-E107 WeakPolarHBondContact O-CG 3.22Å; V103-E107 PolarHBondContact O-N 3Å; V103-Y143 HydrophobicContact CB-CE1 4.23Å; V103-Y143 HydrophobicContact CG1-CD1 3.73Å; V103-Y143 HydrophobicContact CG1-CE1 3.68Å; V103-Y143 HydrophobicContact CG1-CG 4.33Å; V103-Y143 HydrophobicContact CG2-CD1 4.46Å; V103-Y143 HydrophobicContact CG2-CD2 4.16Å; V103-Y143 HydrophobicContact CG2-CE1 4.44Å; V103-Y143 HydrophobicContact CG2-CE2 4.12Å; V103-Y143 HydrophobicContact CG2-CG 4.33Å
104R92.4Very high93.8Very high143 Ų14360.8 Ų60.854%0.5430%0.3SS..Hα-helixtrans-55.7-45175.4-175.1-176.5-62.9160.11.8111.9K100 N101 I106 E107 E108K100-R104 PolarHBondContact O-N 3.4Å; K100-R104 VanDerWaalsContact O-N 3.14Å; N101-R104 PolarHBondContact O-N 3.18Å; R104-I106 VanDerWaalsContact C-N 3.3Å; R104-I106 PolarHBondContact O-N 3.32Å; R104-E107 PolarHBondContact O-N 3.22Å; R104-E107 VanDerWaalsContact O-N 3.17Å; R104-E108 HydrophobicContact CG-CG 4.49Å; R104-E108 WeakPolarHBondContact CG-OE1 3.31Å; R104-E108 WeakPolarHBondContact O-CG 3.38Å; R104-E108 PolarHBondContact O-N 2.82Å
105N90Very high93.8Very high33 Ų3355.9 Ų55.918%0.17628%0.28CS..Hα-helixtrans-62.3-36.5177.9-68-22.5000112.6Y78 N101 W102 V103 H109Y78-N105 HydrophobicContact CE2-CB 4.28Å; N101-N105 VanDerWaalsContact O-CG 3.3Å; N101-N105 PolarHBondContact O-N 2.79Å; N101-N105 VanDerWaalsContact O-N 3.12Å; N101-N105 PolarHBondContact O-ND2 2.93Å; W102-N105 PolarHBondContact O-N 2.65Å; V103-N105 VanDerWaalsContact C-N 3.3Å; V103-N105 PolarHBondContact O-N 3.34Å; N105-H109 WeakPolarHBondContact O-CB 3.39Å; N105-H109 PolarHBondContact O-N 3.43Å; N105-H109 PolarHBondContact O-ND1 3.35Å
106I92.7Very high93.8Very high2 Ų258 Ų581%0.0129%0.289CS..Hα-helixtrans-63.3-48.3174-65171.2000109.9I14 Y78 I84 L86 W102 V103 R104 E108 H109 A110 V114 K116I14-I106 HydrophobicContact CD1-CD1 3.66Å; I14-I106 HydrophobicContact CD1-CG1 3.77Å; Y78-I106 HydrophobicContact CD1-CG1 4.43Å; Y78-I106 HydrophobicContact CE1-CG1 3.72Å; I84-I106 HydrophobicContact CB-CD1 4.35Å; I84-I106 HydrophobicContact CD1-CB 4.42Å; I84-I106 HydrophobicContact CD1-CD1 4.01Å; I84-I106 HydrophobicContact CD1-CG1 3.83Å; I84-I106 HydrophobicContact CD1-CG2 3.8Å; I84-I106 HydrophobicContact CG2-CD1 3.82Å; I84-I106 HydrophobicContact CG2-CG1 4.45Å; L86-I106 HydrophobicContact CD1-CD1 3.84Å; L86-I106 HydrophobicContact CD2-CD1 3.68Å; L86-I106 HydrophobicContact CG-CD1 3.9Å; W102-I106 WeakPolarHBondContact O-CG1 3.36Å; W102-I106 PolarHBondContact O-N 3.42Å; W102-I106 VanDerWaalsContact O-N 3.07Å; V103-I106 WeakPolarHBondContact O-CB 3.43Å; V103-I106 PolarHBondContact O-N 3.47Å; R104-I106 VanDerWaalsContact C-N 3.3Å; R104-I106 PolarHBondContact O-N 3.32Å; I106-E108 VanDerWaalsContact C-N 3.26Å; I106-E108 PolarHBondContact O-N 3.2Å; I106-H109 PolarHBondContact O-N 3.27Å; I106-A110 HydrophobicContact CG2-CB 3.76Å; I106-A110 WeakPolarHBondContact O-CA 3.18Å; I106-A110 WeakPolarHBondContact O-CB 3.33Å; I106-A110 PolarHBondContact O-N 2.97Å; I106-V114 HydrophobicContact CG2-CG1 3.88Å; I106-K116 HydrophobicContact CD1-CD 4.37Å; I106-K116 HydrophobicContact CG2-CD 4.23Å
107E92.7Very high93.8Very high124 Ų12457.3 Ų57.358%0.57929%0.286SS*.Hα-helixtrans-62.1-34.2-178-69.4171.4169.400112.5V103 R104V103-E107 HydrophobicContact CG1-CG 4.42Å; V103-E107 WeakPolarHBondContact O-CG 3.22Å; V103-E107 PolarHBondContact O-N 3Å; R104-E107 PolarHBondContact O-N 3.22Å; R104-E107 VanDerWaalsContact O-N 3.17Å
108E91.9Very high93.9Very high120 Ų12052 Ų5256%0.56126%0.261SS*.Hα-helixtrans-75.4-30.6178.2-73.2173.1-173.100113.9R104 I106R104-E108 HydrophobicContact CG-CG 4.49Å; R104-E108 WeakPolarHBondContact CG-OE1 3.31Å; R104-E108 WeakPolarHBondContact O-CG 3.38Å; R104-E108 PolarHBondContact O-N 2.82Å; I106-E108 VanDerWaalsContact C-N 3.26Å; I106-E108 PolarHBondContact O-N 3.2Å
109H91.3Very high94Very high74 Ų7450.6 Ų50.634%0.34325%0.254SS..Hα-helixtrans-127.6-21.1-164.5-55.798.9000116T75 Y78 N105 I106T75-H109 HydrophobicContact CG2-CB 4.27Å; T75-H109 WeakPolarHBondContact CG2-CD2 3.36Å; Y78-H109 HydrophobicContact CD2-CB 3.58Å; Y78-H109 HydrophobicContact CE2-CB 4.4Å; Y78-H109 HydrophobicContact CG-CB 4.02Å; N105-H109 WeakPolarHBondContact O-CB 3.39Å; N105-H109 PolarHBondContact O-N 3.43Å; N105-H109 PolarHBondContact O-ND1 3.35Å; I106-H109 PolarHBondContact O-N 3.27Å
110A92.7Very high94.2Very high17 Ų1750.6 Ų50.614%0.1425%0.254CS..SBendtrans-89.8167.5177.800000111.2Y78 I84 I106 V114Y78-A110 HydrophobicContact CD1-CB 4.22Å; Y78-A110 HydrophobicContact CG-CB 4.46Å; I84-A110 HydrophobicContact CD1-CB 4.21Å; I106-A110 HydrophobicContact CG2-CB 3.76Å; I106-A110 WeakPolarHBondContact O-CA 3.18Å; I106-A110 WeakPolarHBondContact O-CB 3.33Å; I106-A110 PolarHBondContact O-N 2.97Å; A110-V114 HydrophobicContact CB-CB 4.43Å; A110-V114 HydrophobicContact CB-CG1 3.96Å
111S92Very high94.4Very high58 Ų5845.9 Ų45.941%0.40623%0.233SC..  trans-69146171.4-169.40000110.5D113 V114S111-D113 WeakPolarHBondContact CB-OD1 3.39Å; S111-D113 PolarHBondContact O-N 3.15Å; S111-D113 VanDerWaalsContact O-N 3.17Å; S111-D113 PolarHBondContact OG-OD1 3.44Å; S111-V114 WeakPolarHBondContact O-CB 3.4Å; S111-V114 WeakPolarHBondContact O-CG1 3.36Å; S111-V114 PolarHBondContact O-N 3.03Å; S111-V114 VanDerWaalsContact O-N 3.09Å
112T91.4Very high94.6Very high150 Ų15045.7 Ų45.792%0.9223%0.23SC*.THydrogen-bonded Turntrans-64.3-20.3-179.252.80000113.1
113D91.7Very high94.9Very high76 Ų7646.4 Ų46.441%0.40624%0.236SC..THydrogen-bonded Turntrans-89.82.1178.171.6-29.3000113.8S111 E115 K172S111-D113 WeakPolarHBondContact CB-OD1 3.39Å; S111-D113 PolarHBondContact O-N 3.15Å; S111-D113 VanDerWaalsContact O-N 3.17Å; S111-D113 PolarHBondContact OG-OD1 3.44Å; D113-E115 PolarHBondContact O-N 3.48Å; D113-K172 HydrophobicContact CB-CD 4.34Å; D113-K172 VanDerWaalsContact O-CD 3.23Å; D113-K172 WeakPolarHBondContact O-CD 3.4Å; D113-K172 WeakPolarHBondContact O-CE 3.37Å; D113-K172 PolarHBondContact O-NZ 3.01Å
114V96Very high95.1Very high7 Ų748.6 Ų48.64%0.04225%0.247CC..  trans-61.5131.5178.973.40000111.5A81 I84 I106 A110 S111 K116A81-V114 HydrophobicContact CB-CG2 4.46Å; A81-V114 WeakPolarHBondContact O-CG2 3.26Å; I84-V114 HydrophobicContact CD1-CG1 4.38Å; I84-V114 HydrophobicContact CD1-CG2 3.81Å; I84-V114 HydrophobicContact CG1-CG2 3.72Å; I106-V114 HydrophobicContact CG2-CG1 3.88Å; A110-V114 HydrophobicContact CB-CB 4.43Å; A110-V114 HydrophobicContact CB-CG1 3.96Å; S111-V114 WeakPolarHBondContact O-CB 3.4Å; S111-V114 WeakPolarHBondContact O-CG1 3.36Å; S111-V114 PolarHBondContact O-N 3.03Å; S111-V114 VanDerWaalsContact O-N 3.09Å; V114-K116 HydrophobicContact CG1-CG 4.3Å
115E97.7Very high95.3Very high38 Ų3844.6 Ų44.618%0.17824%0.235CC..EExtended strand (participates in β ladder)trans-78.9147.9172.6-66.7-64170.700111.4M82 G83 I84 D113 L165 D168 I169 K172M82-E115 PolarHBondContact O-N 2.71Å; G83-E115 CarbonylContact C-O 3.58Å; G83-E115 VanDerWaalsContact CA-O 3.22Å; G83-E115 WeakPolarHBondContact CA-O 3.29Å; I84-E115 PolarHBondContact N-O 2.89Å; D113-E115 PolarHBondContact O-N 3.48Å; E115-L165 HydrophobicContact CB-CD1 3.54Å; E115-D168 HydrophobicContact CB-CB 4.47Å; E115-D168 HydrophobicContact CG-CB 3.94Å; E115-I169 HydrophobicContact CB-CG1 3.86Å; E115-I169 HydrophobicContact CG-CG1 3.76Å; E115-K172 HydrophobicContact CG-CD 4.41Å; E115-K172 VanDerWaalsContact OE1-CD 3.29Å; E115-K172 WeakPolarHBondContact OE1-CD 3.45Å; E115-K172 WeakPolarHBondContact OE1-CE 3.26Å; E115-K172 IonicContact OE1-NZ 3.64Å; E115-K172 PolarHBondContact OE1-NZ 3.02Å; E115-K172 IonicContact OE2-NZ 2.62Å; E115-K172 PolarHBondContact OE2-NZ 3.43Å
116K97.4Very high95.7Very high45 Ų4548.4 Ų48.420%0.19625%0.252CS..EExtended strand (participates in β ladder)trans-137.8142.1-173.7-56.1171.8-154.5172.30110.6I84 L86 I106 V114 V145I84-K116 WeakPolarHBondContact O-CA 3.49Å; L86-K116 HydrophobicContact CD1-CB 4.04Å; I106-K116 HydrophobicContact CD1-CD 4.37Å; I106-K116 HydrophobicContact CG2-CD 4.23Å; V114-K116 HydrophobicContact CG1-CG 4.3Å; K116-V145 HydrophobicContact CB-CB 4.33Å; K116-V145 HydrophobicContact CB-CG1 3.67Å; K116-V145 HydrophobicContact CD-CG1 4.17Å
117I98.4Very high95.9Very high2 Ų258.1 Ų58.11%0.0129%0.294CS..EExtended strand (participates in β ladder)trans-139.1136170.6-171169.6000109.7I84 L85 L86 L119 K146 V148 T164 L165I84-I117 PolarHBondContact O-N 2.77Å; L85-I117 HydrophobicContact CB-CG2 4.25Å; L85-I117 HydrophobicContact CD2-CG2 4.1Å; L85-I117 HydrophobicContact CG-CG2 3.89Å; L86-I117 PolarHBondContact N-O 2.85Å; I117-L119 HydrophobicContact CD1-CD2 4.11Å; I117-L119 HydrophobicContact CG1-CD2 3.98Å; I117-L119 HydrophobicContact CG2-CD2 4.12Å; I117-K146 HydrophobicContact CD1-CB 4.24Å; I117-K146 HydrophobicContact CG1-CB 3.98Å; I117-V148 HydrophobicContact CD1-CG1 3.83Å; I117-V148 HydrophobicContact CG1-CG1 4.4Å; I117-T164 HydrophobicContact CD1-CG2 4.26Å; I117-L165 HydrophobicContact CG2-CB 4.31Å; I117-L165 HydrophobicContact CG2-CD1 4.45Å; I117-L165 HydrophobicContact CG2-CD2 4.18Å
118I98.5Very high96.2Very high1 Ų157.1 Ų57.11%0.00529%0.29CS..EExtended strand (participates in β ladder)trans-93.3130.8173.3-63.8173.5000108.9L86 Y88 I99 L139 A140 V145 K146 F147 V148L86-I118 HydrophobicContact CB-CG1 4.26Å; L86-I118 CarbonylContact O-C 3.59Å; L86-I118 WeakPolarHBondContact O-CA 3.28Å; Y88-I118 HydrophobicContact CD1-CG2 3.95Å; Y88-I118 HydrophobicContact CE1-CG2 3.8Å; I99-I118 HydrophobicContact CG2-CD1 4.17Å; I118-L139 HydrophobicContact CD1-CD2 4.31Å; I118-L139 HydrophobicContact CD1-CG 4.42Å; I118-A140 HydrophobicContact CD1-CB 4.22Å; I118-V145 HydrophobicContact CD1-CG2 3.56Å; I118-V145 HydrophobicContact CG1-CG2 3.75Å; I118-K146 PolarHBondContact N-O 2.93Å; I118-F147 HydrophobicContact CB-CD2 4.24Å; I118-F147 HydrophobicContact CG2-CD2 3.97Å; I118-F147 HydrophobicContact CG2-CE2 4.38Å; I118-F147 WeakPolarHBondContact O-CA 3.27Å; I118-F147 WeakPolarHBondContact O-CD2 3.43Å; I118-V148 PolarHBondContact O-N 3.46Å; I118-V148 VanDerWaalsContact O-N 3.1Å
119L98.7Very high96.5Very high0 Ų054 Ų540%027%0.273CS..EExtended strand (participates in β ladder)trans-113.8119.3176.9-48.7-170.6000110.5L24 L85 L86 V87 Y88 I117 N121 V148 T150 A161L24-L119 HydrophobicContact CD1-CD1 3.94Å; L85-L119 HydrophobicContact CB-CD1 4.2Å; L85-L119 HydrophobicContact CD2-CD1 3.81Å; L86-L119 PolarHBondContact O-N 3.05Å; V87-L119 HydrophobicContact CG1-CB 4.36Å; V87-L119 HydrophobicContact CG2-CB 4.32Å; V87-L119 HydrophobicContact CG2-CD1 4.09Å; V87-L119 HydrophobicContact CG2-CG 4.42Å; Y88-L119 WeakPolarHBondContact CD1-O 3.32Å; Y88-L119 PolarHBondContact N-O 2.86Å; I117-L119 HydrophobicContact CD1-CD2 4.11Å; I117-L119 HydrophobicContact CG1-CD2 3.98Å; I117-L119 HydrophobicContact CG2-CD2 4.12Å; L119-N121 PolarHBondContact O-N 3.04Å; L119-V148 VanDerWaalsContact CA-O 3.31Å; L119-V148 WeakPolarHBondContact CA-O 3.46Å; L119-V148 HydrophobicContact CD2-CG1 3.26Å; L119-T150 HydrophobicContact CD2-CG2 4.43Å; L119-A161 HydrophobicContact CD1-CB 4.36Å; L119-A161 HydrophobicContact CD2-CB 3.77Å
120G98.8Very high96.8Very high0 Ų055.9 Ų55.90%028%0.282CS..EExtended strand (participates in β ladder)trans-88.692.1165.300000109.8Y88 V148 E149 T150Y88-G120 VanDerWaalsContact CE1-CA 3.5Å; Y88-G120 VanDerWaalsContact CZ-CA 3.47Å; G120-V148 PolarHBondContact N-O 2.96Å; G120-E149 CarbonylContact O-C 3.59Å; G120-E149 WeakPolarHBondContact O-CA 3.3Å; G120-T150 PolarHBondContact O-N 2.96Å
121N98.7Very high97.1Very high4 Ų455.1 Ų55.12%0.02128%0.275CS..EExtended strand (participates in β ladder)trans-82.8164.6-175-17032.9000112.2V19 L24 V87 Y88 I90 L119 T150 A152V19-N121 PolarHBondContact O-ND2 2.96Å; L24-N121 HydrophobicContact CD1-CB 4.25Å; V87-N121 HydrophobicContact CG1-CB 3.82Å; Y88-N121 PolarHBondContact O-N 3.13Å; I90-N121 WeakPolarHBondContact CG1-O 3.47Å; I90-N121 PolarHBondContact N-O 3.28Å; L119-N121 PolarHBondContact O-N 3.04Å; N121-T150 CarbonylContact C-O 3.54Å; N121-T150 VanDerWaalsContact CA-O 3.27Å; N121-T150 WeakPolarHBondContact CA-O 3.32Å; N121-T150 PolarHBondContact OD1-O 3.34Å; N121-T150 PolarHBondContact OD1-OG1 3.32Å; N121-A152 PolarHBondContact OD1-N 3.27Å
122K98.2Very high97.4Very high51 Ų5154.2 Ų54.222%0.22227%0.269CS..  trans68.934.3-177.8-45.6-169.5-165.8167.30113.5G18 D89 I90 D124 M125 T150G18-K122 WeakPolarHBondContact O-CE 3.48Å; G18-K122 PolarHBondContact O-NZ 3.01Å; D89-K122 WeakPolarHBondContact OD1-CD 3.22Å; D89-K122 WeakPolarHBondContact OD2-CD 3.28Å; D89-K122 VanDerWaalsContact OD2-CE 3.23Å; D89-K122 WeakPolarHBondContact OD2-CE 3.4Å; D89-K122 IonicContact OD2-NZ 2.68Å; D89-K122 PolarHBondContact OD2-NZ 3.15Å; I90-K122 WeakPolarHBondContact CD1-O 3.29Å; I90-K122 WeakPolarHBondContact CG1-O 3.45Å; K122-D124 PolarHBondContact O-N 2.88Å; K122-M125 HydrophobicContact CB-CG 4.37Å; K122-M125 HydrophobicContact CB-SD 4.09Å; K122-M125 HydrophobicContact CD-SD 3.94Å; K122-M125 WeakPolarHBondContact O-CB 3.37Å; K122-M125 PolarHBondContact O-N 3.25Å; K122-T150 PolarHBondContact N-O 2.57Å
123C98.3Very high97.7Very high22 Ų2252.6 Ų52.615%0.14925%0.249CC..THydrogen-bonded Turntrans-63.8-9.4177.3710000114.5I90 M125 E149 T150I90-C123 HydrophobicContact CD1-CB 4.44Å; C123-M125 PolarHBondContact O-N 2.8Å; C123-E149 HydrophobicContact CB-CB 3.99Å; C123-T150 PolarHBondContact N-O 2.9Å; C123-T150 PolarHBondContact SG-O 3.38Å
124D98Very high98Very high53 Ų5355.4 Ų55.428%0.28326%0.26SS..THydrogen-bonded Turntrans-71.2-16.1168.363.5-75.6000113.6K122 E126 S151 K153 A154K122-D124 PolarHBondContact O-N 2.88Å; D124-E126 VanDerWaalsContact C-N 3.34Å; D124-E126 PolarHBondContact O-N 2.8Å; D124-S151 VanDerWaalsContact CG-OG 3.25Å; D124-S151 WeakPolarHBondContact OD1-CB 3.46Å; D124-S151 PolarHBondContact OD1-OG 3.39Å; D124-K153 WeakPolarHBondContact OD2-CD 3.19Å; D124-K153 IonicContact OD2-NZ 2.78Å; D124-A154 HydrophobicContact CB-CB 4.21Å
125M97.2Very high98.1Very high60 Ų6059.8 Ų59.830%0.29628%0.276SS..  trans-94.443.9-176.8-65.1-177.168.600112.7T91 K122 C123 K127 Q128 R129T91-M125 HydrophobicContact CG2-CB 3.58Å; T91-M125 HydrophobicContact CG2-CE 4.3Å; T91-M125 HydrophobicContact CG2-SD 4.35Å; K122-M125 HydrophobicContact CB-CG 4.37Å; K122-M125 HydrophobicContact CB-SD 4.09Å; K122-M125 HydrophobicContact CD-SD 3.94Å; K122-M125 WeakPolarHBondContact O-CB 3.37Å; K122-M125 PolarHBondContact O-N 3.25Å; C123-M125 PolarHBondContact O-N 2.8Å; M125-K127 PolarHBondContact O-N 3.29Å; M125-K127 VanDerWaalsContact O-N 3.11Å; M125-Q128 PolarHBondContact O-N 2.98Å; M125-R129 PolarHBondContact O-N 3.34Å
126E96.9Very high98.2Very high112 Ų11258 Ų5852%0.52327%0.267SS..G310 helixtrans-55.6-35.1-172.1-166.659-145.200113.6D124 Q128 R129D124-E126 VanDerWaalsContact C-N 3.34Å; D124-E126 PolarHBondContact O-N 2.8Å; E126-Q128 PolarHBondContact O-N 2.95Å; E126-R129 VanDerWaalsContact O-CB 3.31Å; E126-R129 WeakPolarHBondContact O-CB 3.5Å; E126-R129 PolarHBondContact O-N 2.94Å; E126-R129 WeakPolarHBondContact OE1-CD 3.47Å; E126-R129 IonicContact OE1-CZ 3.14Å; E126-R129 IonicContact OE1-NE 2.82Å; E126-R129 PolarHBondContact OE1-NE 3.13Å; E126-R129 IonicContact OE1-NH2 2.64Å; E126-R129 IonicContact OE2-CZ 3.43Å; E126-R129 VanDerWaalsContact OE2-CZ 3.29Å; E126-R129 IonicContact OE2-NE 3.55Å; E126-R129 PolarHBondContact OE2-NE 2.99Å; E126-R129 IonicContact OE2-NH2 3.49Å; E126-R129 PolarHBondContact OE2-NH2 2.86Å
127K97.8Very high98.2Very high206 Ų20657.6 Ų57.690%0.89627%0.272SS*.G310 helixtrans-66.2-21.1177.5-65.7-176-180-179.60114M125M125-K127 PolarHBondContact O-N 3.29Å; M125-K127 VanDerWaalsContact O-N 3.11Å
128Q98Very high98.2Very high104 Ų10463.1 Ų63.149%0.48630%0.298SS..G310 helixtrans-107.87.7178.6-62.3109.619.900112.4T91 M125 E126 Q130T91-Q128 WeakPolarHBondContact CA-O 3.18Å; T91-Q128 VanDerWaalsContact CB-O 3.27Å; T91-Q128 WeakPolarHBondContact CB-O 3.43Å; T91-Q128 HydrophobicContact CG2-CB 3.79Å; M125-Q128 PolarHBondContact O-N 2.98Å; E126-Q128 PolarHBondContact O-N 2.95Å; Q128-Q130 PolarHBondContact O-N 3.01Å
129R98.5Very high98.1Very high54 Ų5463.5 Ų63.520%0.20430%0.3CS..  trans-57.9126.9-179.1-179.5-179.1-71.4-87.38.9110.6I90 M125 E126 V131 E149I90-R129 HydrophobicContact CD1-CB 4.19Å; I90-R129 HydrophobicContact CD1-CG 4.17Å; I90-R129 VanDerWaalsContact CD1-CZ 3.42Å; M125-R129 PolarHBondContact O-N 3.34Å; E126-R129 VanDerWaalsContact O-CB 3.31Å; E126-R129 WeakPolarHBondContact O-CB 3.5Å; E126-R129 PolarHBondContact O-N 2.94Å; E126-R129 WeakPolarHBondContact OE1-CD 3.47Å; E126-R129 IonicContact OE1-CZ 3.14Å; E126-R129 IonicContact OE1-NE 2.82Å; E126-R129 PolarHBondContact OE1-NE 3.13Å; E126-R129 IonicContact OE1-NH2 2.64Å; E126-R129 IonicContact OE2-CZ 3.43Å; E126-R129 VanDerWaalsContact OE2-CZ 3.29Å; E126-R129 IonicContact OE2-NE 3.55Å; E126-R129 PolarHBondContact OE2-NE 2.99Å; E126-R129 IonicContact OE2-NH2 3.49Å; E126-R129 PolarHBondContact OE2-NH2 2.86Å; R129-V131 WeakPolarHBondContact CD-O 3.4Å; R129-V131 VanDerWaalsContact CG-O 3.22Å; R129-V131 WeakPolarHBondContact CG-O 3.35Å; R129-V131 PolarHBondContact NH1-O 3.4Å; R129-E149 IonicContact CZ-OE1 3.56Å; R129-E149 IonicContact CZ-OE2 2.67Å; R129-E149 IonicContact NH1-OE1 3.62Å; R129-E149 PolarHBondContact NH1-OE1 2.86Å; R129-E149 IonicContact NH1-OE2 3.15Å; R129-E149 IonicContact NH2-OE1 2.91Å; R129-E149 IonicContact NH2-OE2 2.82Å; R129-E149 PolarHBondContact NH2-OE2 3.21Å
130Q98.6Very high98.1Very high114 Ų11463.6 Ų63.653%0.53330%0.301SS..  trans-107.8-31.3171.8-63-176.5-0.600110.9I90 T91 E93 Q128I90-Q130 PolarHBondContact O-N 2.68Å; T91-Q130 PolarHBondContact O-NE2 3.11Å; T91-Q130 PolarHBondContact O-OE1 3.35Å; E93-Q130 HydrophobicContact CB-CB 4.38Å; Q128-Q130 PolarHBondContact O-N 3.01Å
131V98.5Very high98Very high0 Ų069.3 Ų69.30%033%0.33CS..SBendtrans-106.8112.7-179.9-173.20000109.7Y88 I90 E93 F96 R129 R135Y88-V131 HydrophobicContact CE2-CB 3.95Å; Y88-V131 HydrophobicContact CE2-CG1 3.79Å; Y88-V131 HydrophobicContact CE2-CG2 4.21Å; I90-V131 PolarHBondContact O-N 2.88Å; E93-V131 WeakPolarHBondContact OE2-CG2 3.3Å; F96-V131 HydrophobicContact CB-CG1 4.37Å; F96-V131 HydrophobicContact CB-CG2 3.64Å; F96-V131 HydrophobicContact CD1-CG1 4.17Å; F96-V131 HydrophobicContact CD1-CG2 4.29Å; F96-V131 HydrophobicContact CD2-CG1 3.71Å; F96-V131 HydrophobicContact CE1-CG1 4.4Å; F96-V131 HydrophobicContact CE2-CG1 3.96Å; F96-V131 HydrophobicContact CG-CG1 3.82Å; F96-V131 HydrophobicContact CG-CG2 3.91Å; F96-V131 HydrophobicContact CZ-CG1 4.3Å; R129-V131 WeakPolarHBondContact CD-O 3.4Å; R129-V131 VanDerWaalsContact CG-O 3.22Å; R129-V131 WeakPolarHBondContact CG-O 3.35Å; R129-V131 PolarHBondContact NH1-O 3.4Å; V131-R135 HydrophobicContact CG1-CB 4.2Å
132S98.3Very high98Very high40 Ų4074.6 Ų74.628%0.2836%0.355SS..  trans-62.6149.7172.360.50000111.7E134 R135 G136S132-E134 WeakPolarHBondContact CB-OE2 3.36Å; S132-E134 PolarHBondContact O-N 3.34Å; S132-R135 PolarHBondContact O-N 2.76Å; S132-R135 VanDerWaalsContact O-N 3.13Å; S132-R135 WeakPolarHBondContact OG-CB 3.45Å; S132-R135 WeakPolarHBondContact OG-CD 3.42Å; S132-R135 WeakPolarHBondContact OG-CG 3.38Å; S132-R135 PolarHBondContact OG-N 3.34Å; S132-G136 PolarHBondContact O-N 3.44Å
133K98.1Very high97.8Very high116 Ų11675.3 Ų75.350%0.50436%0.357SS..Hα-helixtrans-57.6-35176.7-171.4176.5-179.6178.90112.5G136 A137 F147 E149K133-G136 PolarHBondContact O-N 3.19Å; K133-A137 PolarHBondContact O-N 3.46Å; K133-F147 HydrophobicContact CG-CE1 3.94Å; K133-F147 WeakPolarHBondContact O-CE1 3.22Å; K133-E149 WeakPolarHBondContact CA-OE1 3.39Å; K133-E149 WeakPolarHBondContact CB-OE1 3.32Å; K133-E149 HydrophobicContact CG-CG 4.26Å
134E98.3Very high97.7Very high134 Ų13477.7 Ų77.763%0.62639%0.385SS*.Hα-helixtrans-63.9-41.7179.3-64.965.3-141.100111.4S132 A137 Q138S132-E134 WeakPolarHBondContact CB-OE2 3.36Å; S132-E134 PolarHBondContact O-N 3.34Å; E134-A137 PolarHBondContact O-N 2.87Å; E134-Q138 VanDerWaalsContact O-CB 3.3Å; E134-Q138 WeakPolarHBondContact O-CB 3.38Å; E134-Q138 PolarHBondContact O-N 2.91Å
135R98.1Very high97.6Very high100 Ų10076.6 Ų76.638%0.37738%0.38SS..Hα-helixtrans-64.6-40.6175-73.2178.474-148.7-2.3111.9E93 F96 V131 S132 Q138 L139E93-R135 IonicContact OE1-CZ 3.77Å; E93-R135 IonicContact OE1-NH1 3.99Å; E93-R135 PolarHBondContact OE1-NH1 3.28Å; E93-R135 IonicContact OE1-NH2 2.68Å; E93-R135 PolarHBondContact OE1-NH2 3.14Å; E93-R135 IonicContact OE2-CZ 2.71Å; E93-R135 IonicContact OE2-NH1 3.85Å; E93-R135 PolarHBondContact OE2-NH1 3.13Å; F96-R135 HydrophobicContact CZ-CB 4.13Å; V131-R135 HydrophobicContact CG1-CB 4.2Å; S132-R135 PolarHBondContact O-N 2.76Å; S132-R135 VanDerWaalsContact O-N 3.13Å; S132-R135 WeakPolarHBondContact OG-CB 3.45Å; S132-R135 WeakPolarHBondContact OG-CD 3.42Å; S132-R135 WeakPolarHBondContact OG-CG 3.38Å; S132-R135 PolarHBondContact OG-N 3.34Å; R135-Q138 PolarHBondContact O-N 2.87Å; R135-L139 WeakPolarHBondContact O-CB 3.4Å; R135-L139 PolarHBondContact O-N 2.99Å
136G98.2Very high97.6Very high0 Ų078 Ų780%038%0.384CS..Hα-helixtrans-59.9-47.6172.800000112.5S132 K133 L139 A140S132-G136 PolarHBondContact O-N 3.44Å; K133-G136 PolarHBondContact O-N 3.19Å; G136-L139 PolarHBondContact O-N 3.06Å; G136-A140 PolarHBondContact O-N 3.26Å; G136-A140 VanDerWaalsContact O-N 3.15Å
137A98.2Very high97.7Very high37 Ų3774.8 Ų74.831%0.30637%0.369SS..Hα-helixtrans-63.6-42.4176.800000112.4K133 E134 L139 A140 I141 F147K133-A137 PolarHBondContact O-N 3.46Å; E134-A137 PolarHBondContact O-N 2.87Å; A137-L139 PolarHBondContact O-N 2.85Å; A137-A140 PolarHBondContact O-N 3.07Å; A137-I141 WeakPolarHBondContact O-CG1 3.49Å; A137-I141 PolarHBondContact O-N 3.35Å; A137-F147 HydrophobicContact CB-CD1 3.96Å; A137-F147 HydrophobicContact CB-CE1 4.38Å
138Q98.3Very high97.7Very high117 Ų11766.2 Ų66.255%0.54733%0.334SS..Hα-helixtrans-63.2-41.4178.8-174.158.660.300112.1E134 R135 A140 I141 E142E134-Q138 VanDerWaalsContact O-CB 3.3Å; E134-Q138 WeakPolarHBondContact O-CB 3.38Å; E134-Q138 PolarHBondContact O-N 2.91Å; R135-Q138 PolarHBondContact O-N 2.87Å; Q138-A140 VanDerWaalsContact C-N 3.3Å; Q138-A140 PolarHBondContact O-N 2.82Å; Q138-I141 PolarHBondContact O-N 2.91Å; Q138-E142 PolarHBondContact O-N 3.34Å
139L97.5Very high97.7Very high9 Ų962 Ų625%0.04731%0.314CS..Hα-helixtrans-62.6-39.4175.1-170.771.9000111.4F96 I99 I118 R135 G136 A137 E142 Y143F96-L139 HydrophobicContact CD2-CD2 4.1Å; F96-L139 HydrophobicContact CE2-CB 4.03Å; F96-L139 HydrophobicContact CE2-CD2 3.5Å; F96-L139 HydrophobicContact CE2-CG 4.34Å; F96-L139 HydrophobicContact CZ-CB 4.03Å; F96-L139 HydrophobicContact CZ-CD2 3.89Å; F96-L139 HydrophobicContact CZ-CG 4.4Å; I99-L139 HydrophobicContact CB-CD2 3.94Å; I99-L139 HydrophobicContact CG1-CD2 4.46Å; I99-L139 HydrophobicContact CG2-CD2 3.72Å; I118-L139 HydrophobicContact CD1-CD2 4.31Å; I118-L139 HydrophobicContact CD1-CG 4.42Å; R135-L139 WeakPolarHBondContact O-CB 3.4Å; R135-L139 PolarHBondContact O-N 2.99Å; G136-L139 PolarHBondContact O-N 3.06Å; A137-L139 PolarHBondContact O-N 2.85Å; L139-E142 WeakPolarHBondContact O-CB 3.48Å; L139-E142 PolarHBondContact O-N 2.87Å; L139-Y143 HydrophobicContact CD1-CD2 4.18Å; L139-Y143 HydrophobicContact CD1-CE2 3.67Å; L139-Y143 HydrophobicContact CG-CD2 4.07Å; L139-Y143 HydrophobicContact CG-CE2 3.99Å; L139-Y143 VanDerWaalsContact O-CD2 3.3Å; L139-Y143 WeakPolarHBondContact O-CD2 3.22Å; L139-Y143 PolarHBondContact O-N 3.24Å
140A97.6Very high97.7Very high3 Ų359.5 Ų59.53%0.02531%0.305CS..Hα-helixtrans-68.7-36.7178.400000112.5I118 G136 A137 Q138 Y143 G144 V145 F147I118-A140 HydrophobicContact CD1-CB 4.22Å; G136-A140 PolarHBondContact O-N 3.26Å; G136-A140 VanDerWaalsContact O-N 3.15Å; A137-A140 PolarHBondContact O-N 3.07Å; Q138-A140 VanDerWaalsContact C-N 3.3Å; Q138-A140 PolarHBondContact O-N 2.82Å; A140-Y143 PolarHBondContact O-N 3.32Å; A140-G144 PolarHBondContact O-N 3.46Å; A140-V145 CarbonylContact C-O 3.6Å; A140-V145 HydrophobicContact CB-CG2 4Å; A140-V145 WeakPolarHBondContact CB-O 3.4Å; A140-V145 PolarHBondContact O-N 3.01Å; A140-F147 HydrophobicContact CB-CB 3.55Å; A140-F147 HydrophobicContact CB-CG 4.44Å
141I97.8Very high97.7Very high120 Ų12054 Ų5462%0.61528%0.279SS*.Hα-helixtrans-61.4-45.3170.9-68.1165.6000110.7A137 Q138 Y143 G144A137-I141 WeakPolarHBondContact O-CG1 3.49Å; A137-I141 PolarHBondContact O-N 3.35Å; Q138-I141 PolarHBondContact O-N 2.91Å; I141-Y143 VanDerWaalsContact C-N 3.26Å; I141-Y143 PolarHBondContact O-N 2.84Å; I141-G144 PolarHBondContact O-N 3.28Å; I141-G144 VanDerWaalsContact O-N 3.1Å
142E96.8Very high97.7Very high115 Ų11554.2 Ų54.254%0.53728%0.28SS..Hα-helixtrans-55.6-40.8178.3-175.8-176.9161.500112Q138 L139Q138-E142 PolarHBondContact O-N 3.34Å; L139-E142 WeakPolarHBondContact O-CB 3.48Å; L139-E142 PolarHBondContact O-N 2.87Å
143Y95.2Very high97.6Very high65 Ų6558.2 Ų58.226%0.25529%0.293SS..Hα-helixtrans-91.8-1.1179-69.4-60.6000114.9K100 V103 L139 A140 I141 V145K100-Y143 WeakPolarHBondContact CG-OH 3.38Å; V103-Y143 HydrophobicContact CB-CE1 4.23Å; V103-Y143 HydrophobicContact CG1-CD1 3.73Å; V103-Y143 HydrophobicContact CG1-CE1 3.68Å; V103-Y143 HydrophobicContact CG1-CG 4.33Å; V103-Y143 HydrophobicContact CG2-CD1 4.46Å; V103-Y143 HydrophobicContact CG2-CD2 4.16Å; V103-Y143 HydrophobicContact CG2-CE1 4.44Å; V103-Y143 HydrophobicContact CG2-CE2 4.12Å; V103-Y143 HydrophobicContact CG2-CG 4.33Å; L139-Y143 HydrophobicContact CD1-CD2 4.18Å; L139-Y143 HydrophobicContact CD1-CE2 3.67Å; L139-Y143 HydrophobicContact CG-CD2 4.07Å; L139-Y143 HydrophobicContact CG-CE2 3.99Å; L139-Y143 VanDerWaalsContact O-CD2 3.3Å; L139-Y143 WeakPolarHBondContact O-CD2 3.22Å; L139-Y143 PolarHBondContact O-N 3.24Å; A140-Y143 PolarHBondContact O-N 3.32Å; I141-Y143 VanDerWaalsContact C-N 3.26Å; I141-Y143 PolarHBondContact O-N 2.84Å; Y143-V145 VanDerWaalsContact C-N 3.31Å; Y143-V145 PolarHBondContact O-N 3.04Å
144G95.8Very high97.6Very high72 Ų7255.1 Ų55.174%0.74229%0.289SS*.THydrogen-bonded Turntrans6334.3-17700000113.8A140 I141A140-G144 PolarHBondContact O-N 3.46Å; I141-G144 PolarHBondContact O-N 3.28Å; I141-G144 VanDerWaalsContact O-N 3.1Å
145V96.2Very high97.6Very high30 Ų3052.3 Ų52.318%0.18228%0.278CS..  trans-118.3163.8-178.6-58.80000111.2K116 I118 A140 Y143K116-V145 HydrophobicContact CB-CB 4.33Å; K116-V145 HydrophobicContact CB-CG1 3.67Å; K116-V145 HydrophobicContact CD-CG1 4.17Å; I118-V145 HydrophobicContact CD1-CG2 3.56Å; I118-V145 HydrophobicContact CG1-CG2 3.75Å; A140-V145 CarbonylContact C-O 3.6Å; A140-V145 HydrophobicContact CB-CG2 4Å; A140-V145 WeakPolarHBondContact CB-O 3.4Å; A140-V145 PolarHBondContact O-N 3.01Å; Y143-V145 VanDerWaalsContact C-N 3.31Å; Y143-V145 PolarHBondContact O-N 3.04Å
146K97.1Very high97.6Very high89 Ų8951.5 Ų51.539%0.38728%0.281SS..EExtended strand (participates in β ladder)trans-78155.9174.6-67.9-177.6-177.1172.90111.5I117 I118 T164 D168I117-K146 HydrophobicContact CD1-CB 4.24Å; I117-K146 HydrophobicContact CG1-CB 3.98Å; I118-K146 PolarHBondContact N-O 2.93Å; K146-T164 HydrophobicContact CD-CG2 3.55Å; K146-D168 WeakPolarHBondContact CD-OD2 3.39Å; K146-D168 WeakPolarHBondContact CE-OD2 3.43Å; K146-D168 IonicContact NZ-OD1 2.7Å; K146-D168 PolarHBondContact NZ-OD1 3.03Å; K146-D168 IonicContact NZ-OD2 3.02Å; K146-D168 PolarHBondContact NZ-OD2 2.85Å
147F98.4Very high97.6Very high45 Ų4555.2 Ų55.220%0.19730%0.301CS..EExtended strand (participates in β ladder)trans-131.5140.2176.4175.3-117.4000111.6Y88 I118 K133 A137 A140 E149Y88-F147 AromaticContact CE1-CE2 3.93Å; Y88-F147 HydrophobicContact CE1-CE2 3.93Å; Y88-F147 WeakPolarHBondContact OH-CE2 3.43Å; Y88-F147 WeakPolarHBondContact OH-CZ 3.24Å; I118-F147 HydrophobicContact CB-CD2 4.24Å; I118-F147 HydrophobicContact CG2-CD2 3.97Å; I118-F147 HydrophobicContact CG2-CE2 4.38Å; I118-F147 WeakPolarHBondContact O-CA 3.27Å; I118-F147 WeakPolarHBondContact O-CD2 3.43Å; K133-F147 HydrophobicContact CG-CE1 3.94Å; K133-F147 WeakPolarHBondContact O-CE1 3.22Å; A137-F147 HydrophobicContact CB-CD1 3.96Å; A137-F147 HydrophobicContact CB-CE1 4.38Å; A140-F147 HydrophobicContact CB-CB 3.55Å; A140-F147 HydrophobicContact CB-CG 4.44Å; F147-E149 HydrophobicContact CE1-CG 4.01Å; F147-E149 HydrophobicContact CE2-CG 4.39Å; F147-E149 HydrophobicContact CZ-CG 3.54Å
148V98.2Very high97.6Very high26 Ų2653.5 Ų53.516%0.15829%0.287CS..EExtended strand (participates in β ladder)trans-148.1141.7170.160.50000109.7I117 I118 L119 G120 T150 N157 A161I117-V148 HydrophobicContact CD1-CG1 3.83Å; I117-V148 HydrophobicContact CG1-CG1 4.4Å; I118-V148 PolarHBondContact O-N 3.46Å; I118-V148 VanDerWaalsContact O-N 3.1Å; L119-V148 VanDerWaalsContact CA-O 3.31Å; L119-V148 WeakPolarHBondContact CA-O 3.46Å; L119-V148 HydrophobicContact CD2-CG1 3.26Å; G120-V148 PolarHBondContact N-O 2.96Å; V148-T150 HydrophobicContact CG1-CG2 4.2Å; V148-T150 HydrophobicContact CG2-CG2 4.47Å; V148-N157 HydrophobicContact CG2-CB 3.67Å; V148-A161 HydrophobicContact CG1-CB 3.86Å
149E98.7Very high97.5Very high17 Ų1752.4 Ų52.48%0.07928%0.281CS..EExtended strand (participates in β ladder)trans-89.5137.3168.3-69.1-164.2160.200110.2G120 C123 R129 K133 F147 N157G120-E149 CarbonylContact O-C 3.59Å; G120-E149 WeakPolarHBondContact O-CA 3.3Å; C123-E149 HydrophobicContact CB-CB 3.99Å; R129-E149 IonicContact CZ-OE1 3.56Å; R129-E149 IonicContact CZ-OE2 2.67Å; R129-E149 IonicContact NH1-OE1 3.62Å; R129-E149 PolarHBondContact NH1-OE1 2.86Å; R129-E149 IonicContact NH1-OE2 3.15Å; R129-E149 IonicContact NH2-OE1 2.91Å; R129-E149 IonicContact NH2-OE2 2.82Å; R129-E149 PolarHBondContact NH2-OE2 3.21Å; K133-E149 WeakPolarHBondContact CA-OE1 3.39Å; K133-E149 WeakPolarHBondContact CB-OE1 3.32Å; K133-E149 HydrophobicContact CG-CG 4.26Å; F147-E149 HydrophobicContact CE1-CG 4.01Å; F147-E149 HydrophobicContact CE2-CG 4.39Å; F147-E149 HydrophobicContact CZ-CG 3.54Å; E149-N157 WeakPolarHBondContact O-CB 3.43Å; E149-N157 PolarHBondContact O-ND2 3.33Å
150T98.7Very high97.5Very high0 Ų054.9 Ų54.90%030%0.299CS..EExtended strand (participates in β ladder)trans-127.9156.3-175.759.50000111.8L119 G120 N121 K122 C123 V148 L156 N157 A161L119-T150 HydrophobicContact CD2-CG2 4.43Å; G120-T150 PolarHBondContact O-N 2.96Å; N121-T150 CarbonylContact C-O 3.54Å; N121-T150 VanDerWaalsContact CA-O 3.27Å; N121-T150 WeakPolarHBondContact CA-O 3.32Å; N121-T150 PolarHBondContact OD1-O 3.34Å; N121-T150 PolarHBondContact OD1-OG1 3.32Å; K122-T150 PolarHBondContact N-O 2.57Å; C123-T150 PolarHBondContact N-O 2.9Å; C123-T150 PolarHBondContact SG-O 3.38Å; V148-T150 HydrophobicContact CG1-CG2 4.2Å; V148-T150 HydrophobicContact CG2-CG2 4.47Å; T150-L156 CarbonylContact C-O 3.58Å; T150-L156 VanDerWaalsContact CA-O 3.26Å; T150-L156 WeakPolarHBondContact CA-O 3.28Å; T150-N157 HydrophobicContact CG2-CB 4.14Å; T150-A161 HydrophobicContact CG2-CB 4.22Å
151S98.4Very high97.6Very high0 Ų054.8 Ų54.80%030%0.299CS..BIsolated β-bridgetrans-133.3110.4163.7174.90000109D124 K153 A154 D155 L156 V158D124-S151 VanDerWaalsContact CG-OG 3.25Å; D124-S151 WeakPolarHBondContact OD1-CB 3.46Å; D124-S151 PolarHBondContact OD1-OG 3.39Å; S151-K153 PolarHBondContact O-N 2.95Å; S151-K153 PolarHBondContact OG-N 2.83Å; S151-A154 PolarHBondContact OG-N 2.66Å; S151-D155 CarbonylContact O-C 3.42Å; S151-D155 VanDerWaalsContact O-CA 3.26Å; S151-D155 WeakPolarHBondContact O-CA 3.35Å; S151-D155 PolarHBondContact O-N 3.46Å; S151-L156 PolarHBondContact N-O 3.08Å; S151-L156 PolarHBondContact O-N 3Å; S151-V158 WeakPolarHBondContact O-CG2 3.31Å
152A97.8Very high97.6Very high3 Ų349 Ų493%0.02527%0.269CS..THydrogen-bonded Turntrans-61.1-30.9170.300000112.4C23 L24 R27 F33 N121C23-A152 HydrophobicContact CB-CB 3.65Å; L24-A152 HydrophobicContact CD2-CB 3.99Å; L24-A152 HydrophobicContact CG-CB 4.21Å; R27-A152 PolarHBondContact NE-O 2.89Å; R27-A152 VanDerWaalsContact NE-O 3.07Å; F33-A152 HydrophobicContact CD2-CB 4.23Å; F33-A152 HydrophobicContact CE2-CB 4.37Å; N121-A152 PolarHBondContact OD1-N 3.27Å
153K97.2Very high97.6Very high124 Ų12446 Ų4654%0.53925%0.254SS..THydrogen-bonded Turntrans-73.3-49.1-177.8179.9174.4161.7-156.60112F33 D124 S151 D155F33-K153 HydrophobicContact CD1-CB 4.5Å; F33-K153 HydrophobicContact CD1-CG 4.29Å; F33-K153 HydrophobicContact CD2-CB 4.23Å; F33-K153 HydrophobicContact CE1-CB 4.02Å; F33-K153 HydrophobicContact CE1-CD 4.21Å; F33-K153 HydrophobicContact CE1-CG 3.76Å; F33-K153 HydrophobicContact CE2-CB 3.72Å; F33-K153 HydrophobicContact CE2-CG 4.38Å; F33-K153 HydrophobicContact CZ-CB 3.61Å; F33-K153 HydrophobicContact CZ-CD 4.13Å; F33-K153 HydrophobicContact CZ-CG 3.81Å; D124-K153 WeakPolarHBondContact OD2-CD 3.19Å; D124-K153 IonicContact OD2-NZ 2.78Å; S151-K153 PolarHBondContact O-N 2.95Å; S151-K153 PolarHBondContact OG-N 2.83Å; K153-D155 VanDerWaalsContact C-N 3.35Å
154A97.2Very high97.8Very high51 Ų5144.8 Ų44.842%0.42125%0.254SS..THydrogen-bonded Turntrans-92.45.9-178.800000113.4D124 S151 L156D124-A154 HydrophobicContact CB-CB 4.21Å; S151-A154 PolarHBondContact OG-N 2.66Å; A154-L156 HydrophobicContact CB-CD1 4.05Å; A154-L156 HydrophobicContact CB-CG 3.88Å; A154-L156 PolarHBondContact O-N 3.07Å
155D97.5Very high97.9Very high75 Ų7541.4 Ų41.440%0.40122%0.219SC..THydrogen-bonded Turntrans5139.9-174.5-16733.4000114.1R27 S151 K153R27-D155 VanDerWaalsContact CD-OD1 3.28Å; R27-D155 WeakPolarHBondContact CD-OD1 3.36Å; R27-D155 HydrophobicContact CG-CB 4.36Å; R27-D155 VanDerWaalsContact CG-OD1 3.22Å; R27-D155 WeakPolarHBondContact CG-OD1 3.45Å; S151-D155 CarbonylContact O-C 3.42Å; S151-D155 VanDerWaalsContact O-CA 3.26Å; S151-D155 WeakPolarHBondContact O-CA 3.35Å; S151-D155 PolarHBondContact O-N 3.46Å; K153-D155 VanDerWaalsContact C-N 3.35Å
156L98.4Very high98Very high83 Ų8340 Ų4044%0.43521%0.21SC..BIsolated β-bridgetrans-90.8123.5179.6-60.9177.5000110.1T150 S151 A154 V158T150-L156 CarbonylContact C-O 3.58Å; T150-L156 VanDerWaalsContact CA-O 3.26Å; T150-L156 WeakPolarHBondContact CA-O 3.28Å; S151-L156 PolarHBondContact N-O 3.08Å; S151-L156 PolarHBondContact O-N 3Å; A154-L156 HydrophobicContact CB-CD1 4.05Å; A154-L156 HydrophobicContact CB-CG 3.88Å; A154-L156 PolarHBondContact O-N 3.07Å; L156-V158 PolarHBondContact O-N 3.21Å
157N98.3Very high98Very high79 Ų7938.3 Ų38.342%0.42220%0.204SC..SBendtrans56.911.4175-58.5-38.7000115.8V148 E149 T150 A161V148-N157 HydrophobicContact CG2-CB 3.67Å; E149-N157 WeakPolarHBondContact O-CB 3.43Å; E149-N157 PolarHBondContact O-ND2 3.33Å; T150-N157 HydrophobicContact CG2-CB 4.14Å; N157-A161 WeakPolarHBondContact O-CB 3.37Å; N157-A161 PolarHBondContact O-N 2.94Å
158V98.3Very high97.9Very high1 Ų137.6 Ų37.61%0.00620%0.202CC..Hα-helixtrans-64.4-56.3-177.9-178.10000109.9L24 R27 F28 S151 L156 S160 A161 F162L24-V158 HydrophobicContact CD2-CG1 4.14Å; L24-V158 HydrophobicContact CD2-CG2 3.8Å; R27-V158 HydrophobicContact CB-CG1 4.18Å; R27-V158 HydrophobicContact CG-CB 4.09Å; R27-V158 HydrophobicContact CG-CG1 3.92Å; R27-V158 HydrophobicContact CG-CG2 3.95Å; F28-V158 HydrophobicContact CB-CG1 3.98Å; S151-V158 WeakPolarHBondContact O-CG2 3.31Å; L156-V158 PolarHBondContact O-N 3.21Å; V158-S160 VanDerWaalsContact C-N 3.34Å; V158-S160 PolarHBondContact O-N 3.47Å; V158-A161 PolarHBondContact O-N 2.87Å; V158-F162 HydrophobicContact CG1-CD2 4.37Å; V158-F162 HydrophobicContact CG1-CE2 4.16Å; V158-F162 VanDerWaalsContact O-CD2 3.32Å; V158-F162 WeakPolarHBondContact O-CD2 3.4Å; V158-F162 PolarHBondContact O-N 2.86Å
159E97.3Very high97.9Very high93 Ų9336.6 Ų36.644%0.43520%0.196SC..Hα-helixtrans-60-45177.8-175156.7114.400111.8F28 R48 A161 F162 F163F28-E159 HydrophobicContact CE2-CG 4.28Å; R48-E159 IonicContact CZ-OE2 2.87Å; R48-E159 IonicContact NH1-OE2 2.82Å; R48-E159 PolarHBondContact NH1-OE2 2.91Å; R48-E159 VanDerWaalsContact NH1-OE2 3.15Å; R48-E159 IonicContact NH2-OE2 3.29Å; R48-E159 PolarHBondContact NH2-OE2 2.9Å; E159-A161 VanDerWaalsContact C-N 3.26Å; E159-A161 PolarHBondContact O-N 3.48Å; E159-F162 PolarHBondContact O-N 2.62Å; E159-F163 HydrophobicContact CG-CD2 3.49Å; E159-F163 VanDerWaalsContact CG-CD2 3.49Å; E159-F163 HydrophobicContact CG-CE2 3.43Å; E159-F163 VanDerWaalsContact CG-CE2 3.43Å; E159-F163 HydrophobicContact CG-CG 4.45Å; E159-F163 HydrophobicContact CG-CZ 4.38Å; E159-F163 WeakPolarHBondContact O-CD2 3.47Å; E159-F163 PolarHBondContact O-N 2.64Å
160S97.4Very high97.8Very high61 Ų6135.9 Ų35.943%0.42719%0.192SC..Hα-helixtrans-55.7-39.5177.9-172.70000112.6V158 T164V158-S160 VanDerWaalsContact C-N 3.34Å; V158-S160 PolarHBondContact O-N 3.47Å; S160-T164 VanDerWaalsContact O-CB 3.24Å; S160-T164 WeakPolarHBondContact O-CB 3.35Å; S160-T164 PolarHBondContact O-N 3.24Å; S160-T164 PolarHBondContact O-OG1 3.41Å
161A98.3Very high97.6Very high1 Ų137.7 Ų37.71%0.00821%0.205CC..Hα-helixtrans-63.8-47.8179.400000112.1L119 V148 T150 N157 V158 E159 L165L119-A161 HydrophobicContact CD1-CB 4.36Å; L119-A161 HydrophobicContact CD2-CB 3.77Å; V148-A161 HydrophobicContact CG1-CB 3.86Å; T150-A161 HydrophobicContact CG2-CB 4.22Å; N157-A161 WeakPolarHBondContact O-CB 3.37Å; N157-A161 PolarHBondContact O-N 2.94Å; V158-A161 PolarHBondContact O-N 2.87Å; E159-A161 VanDerWaalsContact C-N 3.26Å; E159-A161 PolarHBondContact O-N 3.48Å; A161-L165 PolarHBondContact O-N 2.98Å
162F98.1Very high97.4Very high0 Ų040.4 Ų40.40%022%0.217CC..Hα-helixtrans-67.4-40.6178.6-75.5-83.5000112.2L11 L13 F28 I61 L85 V158 E159 L165 A166L11-F162 HydrophobicContact CD1-CD1 4.09Å; L13-F162 HydrophobicContact CD1-CZ 4.4Å; L13-F162 HydrophobicContact CD2-CZ 4.27Å; F28-F162 HydrophobicContact CB-CD2 3.7Å; F28-F162 HydrophobicContact CB-CE2 3.51Å; F28-F162 HydrophobicContact CB-CZ 4.18Å; F28-F162 HydrophobicContact CD1-CB 4.42Å; F28-F162 HydrophobicContact CD1-CD1 4.05Å; F28-F162 AromaticContact CD1-CD2 3.93Å; F28-F162 HydrophobicContact CD1-CD2 3.93Å; F28-F162 HydrophobicContact CD1-CE1 4.28Å; F28-F162 HydrophobicContact CD1-CE2 4.18Å; F28-F162 AromaticContact CD1-CG 3.88Å; F28-F162 HydrophobicContact CD1-CG 3.88Å; F28-F162 HydrophobicContact CD1-CZ 4.34Å; F28-F162 HydrophobicContact CD2-CB 3.81Å; F28-F162 AromaticContact CD2-CD2 3.42Å; F28-F162 HydrophobicContact CD2-CD2 3.42Å; F28-F162 VanDerWaalsContact CD2-CD2 3.42Å; F28-F162 HydrophobicContact CD2-CE2 4.17Å; F28-F162 AromaticContact CD2-CG 3.74Å; F28-F162 HydrophobicContact CD2-CG 3.74Å; F28-F162 HydrophobicContact CE1-CB 4.08Å; F28-F162 HydrophobicContact CE1-CD1 4.1Å; F28-F162 HydrophobicContact CE1-CD2 4.43Å; F28-F162 AromaticContact CE1-CG 3.96Å; F28-F162 HydrophobicContact CE1-CG 3.96Å; F28-F162 HydrophobicContact CE2-CB 3.4Å; F28-F162 VanDerWaalsContact CE2-CB 3.4Å; F28-F162 AromaticContact CE2-CD2 3.98Å; F28-F162 HydrophobicContact CE2-CD2 3.98Å; F28-F162 AromaticContact CE2-CG 3.82Å; F28-F162 HydrophobicContact CE2-CG 3.82Å; F28-F162 HydrophobicContact CG-CB 4.3Å; F28-F162 HydrophobicContact CG-CD1 4.35Å; F28-F162 AromaticContact CG-CD2 3.39Å; F28-F162 HydrophobicContact CG-CD2 3.39Å; F28-F162 AromaticContact CG-CE2 3.69Å; F28-F162 HydrophobicContact CG-CE2 3.69Å; F28-F162 AromaticContact CG-CG 3.77Å; F28-F162 HydrophobicContact CG-CG 3.77Å; F28-F162 HydrophobicContact CG-CZ 4.29Å; F28-F162 HydrophobicContact CZ-CB 3.56Å; F28-F162 HydrophobicContact CZ-CD1 4.44Å; F28-F162 HydrophobicContact CZ-CD2 4.45Å; F28-F162 AromaticContact CZ-CG 3.93Å; F28-F162 HydrophobicContact CZ-CG 3.93Å; I61-F162 HydrophobicContact CD1-CD1 4.11Å; I61-F162 HydrophobicContact CD1-CE1 3.9Å; I61-F162 HydrophobicContact CG2-CE1 4.11Å; L85-F162 HydrophobicContact CD1-CD1 4.24Å; L85-F162 HydrophobicContact CD1-CE1 3.89Å; L85-F162 HydrophobicContact CD2-CD1 4.01Å; L85-F162 HydrophobicContact CD2-CE1 3.9Å; L85-F162 HydrophobicContact CD2-CE2 4.49Å; L85-F162 HydrophobicContact CD2-CG 4.36Å; L85-F162 HydrophobicContact CD2-CZ 4.16Å; V158-F162 HydrophobicContact CG1-CD2 4.37Å; V158-F162 HydrophobicContact CG1-CE2 4.16Å; V158-F162 VanDerWaalsContact O-CD2 3.32Å; V158-F162 WeakPolarHBondContact O-CD2 3.4Å; V158-F162 PolarHBondContact O-N 2.86Å; E159-F162 PolarHBondContact O-N 2.62Å; F162-L165 PolarHBondContact O-N 3.29Å; F162-A166 WeakPolarHBondContact O-CB 3.4Å; F162-A166 PolarHBondContact O-N 2.98Å
163F97.8Very high97.1Very high50 Ų5042.4 Ų42.422%0.21923%0.229CC..Hα-helixtrans-66.5-40.9177.1-88.2-112.3000112.2F28 I50 L52 E159 L165 A166 Q167F28-F163 HydrophobicContact CE2-CD2 4.19Å; F28-F163 HydrophobicContact CE2-CE2 4.12Å; F28-F163 HydrophobicContact CZ-CE2 4.46Å; I50-F163 HydrophobicContact CB-CE1 4.32Å; I50-F163 HydrophobicContact CB-CE2 4.15Å; I50-F163 HydrophobicContact CB-CZ 3.75Å; I50-F163 HydrophobicContact CD1-CD1 4.26Å; I50-F163 HydrophobicContact CD1-CD2 4.27Å; I50-F163 HydrophobicContact CD1-CE1 4.14Å; I50-F163 HydrophobicContact CD1-CE2 4.16Å; I50-F163 HydrophobicContact CD1-CG 4.34Å; I50-F163 HydrophobicContact CD1-CZ 4.1Å; I50-F163 HydrophobicContact CG2-CE2 3.78Å; I50-F163 HydrophobicContact CG2-CZ 3.85Å; L52-F163 HydrophobicContact CD1-CD1 3.76Å; L52-F163 HydrophobicContact CD1-CE1 4.32Å; E159-F163 HydrophobicContact CG-CD2 3.49Å; E159-F163 VanDerWaalsContact CG-CD2 3.49Å; E159-F163 HydrophobicContact CG-CE2 3.43Å; E159-F163 VanDerWaalsContact CG-CE2 3.43Å; E159-F163 HydrophobicContact CG-CG 4.45Å; E159-F163 HydrophobicContact CG-CZ 4.38Å; E159-F163 WeakPolarHBondContact O-CD2 3.47Å; E159-F163 PolarHBondContact O-N 2.64Å; F163-L165 VanDerWaalsContact C-N 3.34Å; F163-L165 PolarHBondContact O-N 3.08Å; F163-A166 PolarHBondContact O-N 3.38Å; F163-Q167 WeakPolarHBondContact O-CB 3.27Å; F163-Q167 PolarHBondContact O-N 3.18Å
164T97.8Very high96.7Very high41 Ų4139.8 Ų39.825%0.25222%0.218SC..Hα-helixtrans-58.1-48.6176.4-62.50000110.7I117 K146 S160 Q167 D168I117-T164 HydrophobicContact CD1-CG2 4.26Å; K146-T164 HydrophobicContact CD-CG2 3.55Å; S160-T164 VanDerWaalsContact O-CB 3.24Å; S160-T164 WeakPolarHBondContact O-CB 3.35Å; S160-T164 PolarHBondContact O-N 3.24Å; S160-T164 PolarHBondContact O-OG1 3.41Å; T164-Q167 PolarHBondContact O-N 2.82Å; T164-D168 PolarHBondContact O-N 2.78Å; T164-D168 VanDerWaalsContact O-N 3.12Å
165L98.1Very high96.4Very high0 Ų044.2 Ų44.20%023%0.228CC..Hα-helixtrans-64.3-42.1177.9-177.361.6000111.8L11 L85 E115 I117 A161 F162 F163 Q167 D168 I169L11-L165 HydrophobicContact CD1-CD2 4.49Å; L11-L165 HydrophobicContact CD2-CD2 4.02Å; L11-L165 HydrophobicContact CD2-CG 4.37Å; L85-L165 HydrophobicContact CD1-CD2 3.65Å; L85-L165 HydrophobicContact CD2-CD2 4.42Å; L85-L165 HydrophobicContact CG-CD2 3.68Å; E115-L165 HydrophobicContact CB-CD1 3.54Å; I117-L165 HydrophobicContact CG2-CB 4.31Å; I117-L165 HydrophobicContact CG2-CD1 4.45Å; I117-L165 HydrophobicContact CG2-CD2 4.18Å; A161-L165 PolarHBondContact O-N 2.98Å; F162-L165 PolarHBondContact O-N 3.29Å; F163-L165 VanDerWaalsContact C-N 3.34Å; F163-L165 PolarHBondContact O-N 3.08Å; L165-Q167 VanDerWaalsContact C-N 3.32Å; L165-Q167 PolarHBondContact O-N 3.3Å; L165-D168 PolarHBondContact O-N 2.99Å; L165-I169 HydrophobicContact CD1-CD1 4.46Å; L165-I169 HydrophobicContact CG-CD1 4.11Å; L165-I169 VanDerWaalsContact O-CG1 3.26Å; L165-I169 WeakPolarHBondContact O-CG1 3.48Å; L165-I169 PolarHBondContact O-N 3.36Å
166A98Very high95.9Very high0 Ų044.7 Ų44.70%023%0.231CC..Hα-helixtrans-62-38176.500000112.5F9 I50 L52 L59 F162 F163 K170F9-A166 HydrophobicContact CD2-CB 4.41Å; F9-A166 WeakPolarHBondContact CE2-O 3.21Å; I50-A166 HydrophobicContact CD1-CB 3.9Å; L52-A166 HydrophobicContact CD2-CB 4.16Å; L59-A166 HydrophobicContact CD2-CB 4.29Å; F162-A166 WeakPolarHBondContact O-CB 3.4Å; F162-A166 PolarHBondContact O-N 2.98Å; F163-A166 PolarHBondContact O-N 3.38Å; A166-K170 WeakPolarHBondContact O-CB 3.23Å; A166-K170 PolarHBondContact O-N 3.33Å
167Q97.6Very high95.3Very high55 Ų5546.3 Ų46.326%0.25723%0.234SC..Hα-helixtrans-64.4-41.8176.3-171.565.933.500111.8L52 D53 F163 T164 L165 K170 S171L52-Q167 VanDerWaalsContact CD1-OE1 3.3Å; L52-Q167 HydrophobicContact CD2-CB 4.14Å; D53-Q167 PolarHBondContact OD2-NE2 3.05Å; D53-Q167 PolarHBondContact OD2-OE1 2.7Å; F163-Q167 WeakPolarHBondContact O-CB 3.27Å; F163-Q167 PolarHBondContact O-N 3.18Å; T164-Q167 PolarHBondContact O-N 2.82Å; L165-Q167 VanDerWaalsContact C-N 3.32Å; L165-Q167 PolarHBondContact O-N 3.3Å; Q167-K170 PolarHBondContact O-N 3.23Å; Q167-S171 VanDerWaalsContact O-CB 3.29Å; Q167-S171 WeakPolarHBondContact O-CB 3.44Å; Q167-S171 PolarHBondContact O-N 2.83Å; Q167-S171 PolarHBondContact O-OG 3.27Å
168D97.1Very high94.7Very high30 Ų3048.2 Ų48.216%0.1624%0.241CC..Hα-helixtrans-64.2-47.2178.4-67.3-27.6000111E115 K146 T164 L165 K170 S171 K172E115-D168 HydrophobicContact CB-CB 4.47Å; E115-D168 HydrophobicContact CG-CB 3.94Å; K146-D168 WeakPolarHBondContact CD-OD2 3.39Å; K146-D168 WeakPolarHBondContact CE-OD2 3.43Å; K146-D168 IonicContact NZ-OD1 2.7Å; K146-D168 PolarHBondContact NZ-OD1 3.03Å; K146-D168 IonicContact NZ-OD2 3.02Å; K146-D168 PolarHBondContact NZ-OD2 2.85Å; T164-D168 PolarHBondContact O-N 2.78Å; T164-D168 VanDerWaalsContact O-N 3.12Å; L165-D168 PolarHBondContact O-N 2.99Å; D168-K170 VanDerWaalsContact C-N 3.34Å; D168-K170 PolarHBondContact O-N 3.17Å; D168-S171 PolarHBondContact O-N 3.28Å; D168-K172 WeakPolarHBondContact O-CB 3.36Å; D168-K172 PolarHBondContact O-N 3.08Å
169I97.5Very high94Very high4 Ų450.5 Ų50.52%0.02126%0.259CS..Hα-helixtrans-59.3-46.5176.9-64.4166.9000110.7F9 L11 M82 E115 L165 K172 T173F9-I169 HydrophobicContact CB-CD1 4.49Å; F9-I169 HydrophobicContact CD1-CG2 3.68Å; F9-I169 HydrophobicContact CD2-CB 4.15Å; F9-I169 HydrophobicContact CD2-CD1 4.36Å; F9-I169 HydrophobicContact CD2-CG2 3.87Å; F9-I169 HydrophobicContact CE1-CG2 3.66Å; F9-I169 HydrophobicContact CE2-CB 4.04Å; F9-I169 HydrophobicContact CE2-CG2 3.84Å; F9-I169 HydrophobicContact CG-CG2 3.81Å; F9-I169 HydrophobicContact CZ-CB 4.35Å; F9-I169 HydrophobicContact CZ-CG2 3.76Å; L11-I169 HydrophobicContact CD2-CD1 3.4Å; L11-I169 VanDerWaalsContact CD2-CD1 3.4Å; M82-I169 HydrophobicContact CB-CD1 4.12Å; M82-I169 HydrophobicContact CB-CG1 4.46Å; M82-I169 HydrophobicContact CB-CG2 3.94Å; M82-I169 HydrophobicContact CE-CG2 3.62Å; E115-I169 HydrophobicContact CB-CG1 3.86Å; E115-I169 HydrophobicContact CG-CG1 3.76Å; L165-I169 HydrophobicContact CD1-CD1 4.46Å; L165-I169 HydrophobicContact CG-CD1 4.11Å; L165-I169 VanDerWaalsContact O-CG1 3.26Å; L165-I169 WeakPolarHBondContact O-CG1 3.48Å; L165-I169 PolarHBondContact O-N 3.36Å; I169-K172 PolarHBondContact O-N 2.7Å; I169-T173 WeakPolarHBondContact O-CB 3.26Å; I169-T173 PolarHBondContact O-N 3.04Å; I169-T173 PolarHBondContact O-OG1 3.21Å
170K96.2Very high93.3Very high3 Ų349.5 Ų49.51%0.01326%0.263CS..Hα-helixtrans-60.5-48178.7-178.3-172.7174.2-172.20111.1F9 L52 D53 I57 A166 Q167 D168 K172 T173 Q174F9-K170 HydrophobicContact CE2-CB 4.09Å; F9-K170 HydrophobicContact CZ-CB 3.93Å; L52-K170 HydrophobicContact CD2-CD 4.12Å; L52-K170 PolarHBondContact O-NZ 2.98Å; D53-K170 VanDerWaalsContact CG-NZ 3.33Å; D53-K170 IonicContact OD2-NZ 2.87Å; D53-K170 PolarHBondContact OD2-NZ 2.8Å; I57-K170 HydrophobicContact CD1-CD 4.14Å; A166-K170 WeakPolarHBondContact O-CB 3.23Å; A166-K170 PolarHBondContact O-N 3.33Å; Q167-K170 PolarHBondContact O-N 3.23Å; D168-K170 VanDerWaalsContact C-N 3.34Å; D168-K170 PolarHBondContact O-N 3.17Å; K170-K172 PolarHBondContact O-N 3.44Å; K170-T173 WeakPolarHBondContact O-CB 3.38Å; K170-T173 PolarHBondContact O-N 3.08Å; K170-Q174 WeakPolarHBondContact O-CG 3.44Å; K170-Q174 PolarHBondContact O-N 3.15Å
171S95.4Very high92.6Very high37 Ų3754.1 Ų54.126%0.25927%0.271SS..Hα-helixtrans-61.9-43.1-179.5-60.90000111.4Q167 D168 Q174 K175Q167-S171 VanDerWaalsContact O-CB 3.29Å; Q167-S171 WeakPolarHBondContact O-CB 3.44Å; Q167-S171 PolarHBondContact O-N 2.83Å; Q167-S171 PolarHBondContact O-OG 3.27Å; D168-S171 PolarHBondContact O-N 3.28Å; S171-Q174 PolarHBondContact O-N 3.39Å; S171-K175 WeakPolarHBondContact O-CG 3.21Å; S171-K175 PolarHBondContact O-N 2.9Å; S171-K175 VanDerWaalsContact O-N 3.09Å
172K94Very high91.6Very high57 Ų5758.7 Ų58.725%0.24830%0.299CS..Hα-helixtrans-64.1-44.3174.5-179.5177.2-90.2163.50111.7D113 E115 D168 I169 K170 Q174 K175 N176D113-K172 HydrophobicContact CB-CD 4.34Å; D113-K172 VanDerWaalsContact O-CD 3.23Å; D113-K172 WeakPolarHBondContact O-CD 3.4Å; D113-K172 WeakPolarHBondContact O-CE 3.37Å; D113-K172 PolarHBondContact O-NZ 3.01Å; E115-K172 HydrophobicContact CG-CD 4.41Å; E115-K172 VanDerWaalsContact OE1-CD 3.29Å; E115-K172 WeakPolarHBondContact OE1-CD 3.45Å; E115-K172 WeakPolarHBondContact OE1-CE 3.26Å; E115-K172 IonicContact OE1-NZ 3.64Å; E115-K172 PolarHBondContact OE1-NZ 3.02Å; E115-K172 IonicContact OE2-NZ 2.62Å; E115-K172 PolarHBondContact OE2-NZ 3.43Å; D168-K172 WeakPolarHBondContact O-CB 3.36Å; D168-K172 PolarHBondContact O-N 3.08Å; I169-K172 PolarHBondContact O-N 2.7Å; K170-K172 PolarHBondContact O-N 3.44Å; K172-Q174 VanDerWaalsContact C-N 3.33Å; K172-Q174 PolarHBondContact O-N 3.12Å; K172-K175 PolarHBondContact O-N 3.11Å; K172-N176 VanDerWaalsContact O-CG 3.3Å; K172-N176 PolarHBondContact O-N 2.89Å
173T90.9Very high90.5Very high46 Ų4665.5 Ų65.528%0.28233%0.331SS..Hα-helixtrans-60.2-42.2177.3-58.20000111.8Y7 I169 K170 N176 F177Y7-T173 HydrophobicContact CE1-CG2 4.34Å; I169-T173 WeakPolarHBondContact O-CB 3.26Å; I169-T173 PolarHBondContact O-N 3.04Å; I169-T173 PolarHBondContact O-OG1 3.21Å; K170-T173 WeakPolarHBondContact O-CB 3.38Å; K170-T173 PolarHBondContact O-N 3.08Å; T173-N176 PolarHBondContact O-N 3.1Å; T173-F177 PolarHBondContact O-N 3.3Å; T173-F177 VanDerWaalsContact O-N 3.13Å
174Q90.4Very high89.3Confident69 Ų6966.7 Ų66.732%0.32235%0.346SS..Hα-helixtrans-65.4-46.8177.6-73.8175.6-29.400111.9K170 S171 K172 N176 F177 E178K170-Q174 WeakPolarHBondContact O-CG 3.44Å; K170-Q174 PolarHBondContact O-N 3.15Å; S171-Q174 PolarHBondContact O-N 3.39Å; K172-Q174 VanDerWaalsContact C-N 3.33Å; K172-Q174 PolarHBondContact O-N 3.12Å; Q174-N176 VanDerWaalsContact C-N 3.31Å; Q174-N176 PolarHBondContact O-N 2.98Å; Q174-F177 WeakPolarHBondContact O-CB 3.19Å; Q174-F177 PolarHBondContact O-N 3.25Å; Q174-F177 VanDerWaalsContact O-N 3.11Å; Q174-E178 WeakPolarHBondContact O-CG 3.31Å; Q174-E178 PolarHBondContact O-N 2.84Å
175K90.6Very high88.2Confident144 Ų14467 Ų6763%0.62635%0.352SS*.Hα-helixtrans-57.5-43176-73.1174.5-178.9179.40112.3S171 K172 F177 E178 A179S171-K175 WeakPolarHBondContact O-CG 3.21Å; S171-K175 PolarHBondContact O-N 2.9Å; S171-K175 VanDerWaalsContact O-N 3.09Å; K172-K175 PolarHBondContact O-N 3.11Å; K175-F177 VanDerWaalsContact C-N 3.31Å; K175-F177 PolarHBondContact O-N 3.39Å; K175-E178 PolarHBondContact O-N 3.05Å; K175-A179 WeakPolarHBondContact O-CB 3.21Å; K175-A179 PolarHBondContact O-N 3.31Å
176N87.4Confident87Confident84 Ų8469.5 Ų69.545%0.44937%0.373SS..Hα-helixtrans-64.6-36.5178-70.5-7.9000112K172 T173 Q174 S180K172-N176 VanDerWaalsContact O-CG 3.3Å; K172-N176 PolarHBondContact O-N 2.89Å; T173-N176 PolarHBondContact O-N 3.1Å; Q174-N176 VanDerWaalsContact C-N 3.31Å; Q174-N176 PolarHBondContact O-N 2.98Å; N176-S180 WeakPolarHBondContact O-CB 2.86Å; N176-S180 PolarHBondContact O-N 2.85Å; N176-S180 VanDerWaalsContact O-N 3.11Å; N176-S180 PolarHBondContact O-OG 2.68Å
177F84.4Confident85.8Confident117 Ų11776.2 Ų76.251%0.51340%0.402SS..Hα-helixtrans-68.9-41.1176.5-172.2-107000112.3T173 Q174 K175 S180 R181T173-F177 PolarHBondContact O-N 3.3Å; T173-F177 VanDerWaalsContact O-N 3.13Å; Q174-F177 WeakPolarHBondContact O-CB 3.19Å; Q174-F177 PolarHBondContact O-N 3.25Å; Q174-F177 VanDerWaalsContact O-N 3.11Å; K175-F177 VanDerWaalsContact C-N 3.31Å; K175-F177 PolarHBondContact O-N 3.39Å; F177-S180 PolarHBondContact O-N 3.26Å; F177-R181 PolarHBondContact O-N 3Å; F177-R181 VanDerWaalsContact O-N 3.09Å
178E85.4Confident84.2Confident120 Ų12075 Ų7556%0.56141%0.405SS*.Hα-helixtrans-66.6-42.3176.3-71.3172-176.700112.4Q174 K175 S180 R181 T182Q174-E178 WeakPolarHBondContact O-CG 3.31Å; Q174-E178 PolarHBondContact O-N 2.84Å; K175-E178 PolarHBondContact O-N 3.05Å; E178-S180 VanDerWaalsContact C-N 3.33Å; E178-S180 PolarHBondContact O-N 2.8Å; E178-R181 PolarHBondContact O-N 3.5Å; E178-T182 PolarHBondContact O-N 3.23Å; E178-T182 PolarHBondContact O-OG1 2.87Å
179A85Confident82.5Confident48 Ų4881.9 Ų81.940%0.39743%0.429SS..Hα-helixtrans-60.5-43.817500000111.4K175 R181 T182 Q183K175-A179 WeakPolarHBondContact O-CB 3.21Å; K175-A179 PolarHBondContact O-N 3.31Å; A179-R181 PolarHBondContact O-N 3.27Å; A179-T182 PolarHBondContact O-N 3.34Å; A179-Q183 WeakPolarHBondContact O-CG 3.4Å; A179-Q183 PolarHBondContact O-N 2.92Å
180S83Confident80.7Confident73 Ų7390.5 Ų90.551%0.5146%0.461SS..Hα-helixtrans-63.5-38.9177.8-59.10000112.6N176 F177 E178 S184N176-S180 WeakPolarHBondContact O-CB 2.86Å; N176-S180 PolarHBondContact O-N 2.85Å; N176-S180 VanDerWaalsContact O-N 3.11Å; N176-S180 PolarHBondContact O-OG 2.68Å; F177-S180 PolarHBondContact O-N 3.26Å; E178-S180 VanDerWaalsContact C-N 3.33Å; E178-S180 PolarHBondContact O-N 2.8Å; S180-S184 PolarHBondContact O-N 3.33Å; S180-S184 VanDerWaalsContact O-N 3.08Å; S180-S184 PolarHBondContact O-OG 3.3Å
181R80.9Confident79Confident157 Ų15795.1 Ų95.159%0.59249%0.485SS*.Hα-helixtrans-66.7-37.7175-78.5-177.4163.6-167.1-3.3112.9F177 E178 A179 S184 A185F177-R181 PolarHBondContact O-N 3Å; F177-R181 VanDerWaalsContact O-N 3.09Å; E178-R181 PolarHBondContact O-N 3.5Å; A179-R181 PolarHBondContact O-N 3.27Å; R181-S184 PolarHBondContact O-OG 2.9Å; R181-A185 VanDerWaalsContact O-CB 3.3Å; R181-A185 WeakPolarHBondContact O-CB 3.39Å; R181-A185 PolarHBondContact O-N 3.46Å
182T78.7Confident77.3Confident98 Ų9897.5 Ų97.560%0.60150%0.498SS*.Hα-helixtrans-68.2-40.5178.9-55.10000110.8E178 A179 A185 A186E178-T182 PolarHBondContact O-N 3.23Å; E178-T182 PolarHBondContact O-OG1 2.87Å; A179-T182 PolarHBondContact O-N 3.34Å; T182-A185 PolarHBondContact O-N 3.49Å; T182-A186 WeakPolarHBondContact O-CB 3.29Å; T182-A186 PolarHBondContact O-N 2.57Å
183Q73.6Confident75.6Confident143 Ų14398.9 Ų98.967%0.66851%0.512SS*.Hα-helixtrans-64.9-43.5175.6-70.5-179.322.300112.4A179 A186 F187A179-Q183 WeakPolarHBondContact O-CG 3.4Å; A179-Q183 PolarHBondContact O-N 2.92Å; Q183-A186 PolarHBondContact O-N 3.44Å; Q183-F187 WeakPolarHBondContact O-CB 3.45Å; Q183-F187 PolarHBondContact O-N 3.41Å
184S74.4Confident73.8Confident75 Ų75102.1 Ų102.152%0.52453%0.527SS..Hα-helixtrans-66.8-38177.263.50000112.4S180 R181 F187 G188S180-S184 PolarHBondContact O-N 3.33Å; S180-S184 VanDerWaalsContact O-N 3.08Å; S180-S184 PolarHBondContact O-OG 3.3Å; R181-S184 PolarHBondContact O-OG 2.9Å; S184-F187 PolarHBondContact O-N 3.27Å; S184-G188 PolarHBondContact O-N 2.92Å
185A73.3Confident72.1Confident46 Ų46102.4 Ų102.438%0.3854%0.542SS..Hα-helixtrans-67-36174.400000113R181 T182 R189R181-A185 VanDerWaalsContact O-CB 3.3Å; R181-A185 WeakPolarHBondContact O-CB 3.39Å; R181-A185 PolarHBondContact O-N 3.46Å; T182-A185 PolarHBondContact O-N 3.49Å; A185-R189 PolarHBondContact O-N 3.21Å; A185-R189 VanDerWaalsContact O-N 3.09Å
186A72.9Confident70.1Confident54 Ų54106.1 Ų106.145%0.44655%0.553SS.*Hα-helixtrans-69.6-41174.900000111.7T182 Q183 R189 R190T182-A186 WeakPolarHBondContact O-CB 3.29Å; T182-A186 PolarHBondContact O-N 2.57Å; Q183-A186 PolarHBondContact O-N 3.44Å; A186-R189 PolarHBondContact O-N 3.39Å; A186-R190 PolarHBondContact O-N 3.07Å
187F73.1Confident68.3Low140 Ų140105.1 Ų105.161%0.61456%0.563SS**Hα-helixtrans-64.4-44.5175.4-173.5-102000111.9Q183 S184 R189 R190 L191Q183-F187 WeakPolarHBondContact O-CB 3.45Å; Q183-F187 PolarHBondContact O-N 3.41Å; S184-F187 PolarHBondContact O-N 3.27Å; F187-R189 VanDerWaalsContact C-N 3.33Å; F187-R189 PolarHBondContact O-N 3.18Å; F187-R190 PolarHBondContact O-N 3.22Å; F187-L191 HydrophobicContact CD1-CD1 3.97Å; F187-L191 HydrophobicContact CE1-CD1 3.54Å; F187-L191 HydrophobicContact CE1-CG 4.24Å; F187-L191 HydrophobicContact CZ-CD1 4.17Å; F187-L191 HydrophobicContact CZ-CG 4.5Å; F187-L191 PolarHBondContact O-N 3.11Å; F187-L191 VanDerWaalsContact O-N 3.1Å
188G64.7Low66.5Low31 Ų31105.9 Ų105.932%0.3257%0.573SS.*Hα-helixtrans-59.7-40.9174.400000112.7S184 R190 L191 T192S184-G188 PolarHBondContact O-N 2.92Å; G188-R190 PolarHBondContact O-N 3.31Å; G188-L191 PolarHBondContact O-N 3.43Å; G188-T192 WeakPolarHBondContact O-CG2 3.41Å; G188-T192 PolarHBondContact O-N 3.31Å; G188-T192 PolarHBondContact O-OG1 3.16Å
189R61Low64.5Low174 Ų174109.2 Ų109.266%0.65759%0.585SS**Hα-helixtrans-63.4-39.4174.8-91.5-175.2-91.3-177.1-8.7112.8A185 A186 F187 L191 T192 T193A185-R189 PolarHBondContact O-N 3.21Å; A185-R189 VanDerWaalsContact O-N 3.09Å; A186-R189 PolarHBondContact O-N 3.39Å; F187-R189 VanDerWaalsContact C-N 3.33Å; F187-R189 PolarHBondContact O-N 3.18Å; R189-L191 VanDerWaalsContact C-N 3.33Å; R189-L191 PolarHBondContact O-N 3.29Å; R189-T192 WeakPolarHBondContact CA-OG1 3.42Å; R189-T192 PolarHBondContact O-N 3.2Å; R189-T192 PolarHBondContact O-OG1 3.39Å; R189-T193 WeakPolarHBondContact O-CG2 3.4Å; R189-T193 PolarHBondContact O-N 2.74Å; R189-T193 PolarHBondContact O-OG1 2.96Å; R189-T193 VanDerWaalsContact O-OG1 3.11Å
190R60.4Low62.5Low184 Ų184115.9 Ų115.969%0.69461%0.608SS**Hα-helixtrans-65-37.1177.6-134178.8-160.8-179.85.1112.4A186 F187 G188 T193 N194A186-R190 PolarHBondContact O-N 3.07Å; F187-R190 PolarHBondContact O-N 3.22Å; G188-R190 PolarHBondContact O-N 3.31Å; R190-T193 WeakPolarHBondContact CA-OG1 3.45Å; R190-T193 PolarHBondContact O-OG1 3.24Å; R190-T193 VanDerWaalsContact O-OG1 3.05Å; R190-N194 WeakPolarHBondContact O-CB 3.32Å; R190-N194 PolarHBondContact O-N 3.23Å
191L60.2Low60.5Low101 Ų101122.9 Ų122.953%0.52962%0.623SS.*Hα-helixtrans-67.6-40.7173.2-71.1172.7000111.5F187 G188 R189 N194 A195F187-L191 HydrophobicContact CD1-CD1 3.97Å; F187-L191 HydrophobicContact CE1-CD1 3.54Å; F187-L191 HydrophobicContact CE1-CG 4.24Å; F187-L191 HydrophobicContact CZ-CD1 4.17Å; F187-L191 HydrophobicContact CZ-CG 4.5Å; F187-L191 PolarHBondContact O-N 3.11Å; F187-L191 VanDerWaalsContact O-N 3.1Å; G188-L191 PolarHBondContact O-N 3.43Å; R189-L191 VanDerWaalsContact C-N 3.33Å; R189-L191 PolarHBondContact O-N 3.29Å; L191-N194 PolarHBondContact O-N 3.25Å; L191-A195 WeakPolarHBondContact O-CB 3.21Å; L191-A195 PolarHBondContact O-N 3.16Å
192T59.1Low58.6Low86 Ų86125.3 Ų125.353%0.52864%0.638SS.*Hα-helixtrans-69.7-36.3177.356.60000112.7G188 R189 A195 Y196G188-T192 WeakPolarHBondContact O-CG2 3.41Å; G188-T192 PolarHBondContact O-N 3.31Å; G188-T192 PolarHBondContact O-OG1 3.16Å; R189-T192 WeakPolarHBondContact CA-OG1 3.42Å; R189-T192 PolarHBondContact O-N 3.2Å; R189-T192 PolarHBondContact O-OG1 3.39Å; T192-A195 PolarHBondContact O-N 2.98Å; T192-Y196 VanDerWaalsContact O-CB 3.32Å; T192-Y196 WeakPolarHBondContact O-CB 3.21Å; T192-Y196 PolarHBondContact O-N 3.08Å
193T58.3Low56.6Low87 Ų87132.9 Ų132.953%0.53466%0.656SS.*Hα-helixtrans-71.1-34.8176.853.10000111.9R189 R190 G197R189-T193 WeakPolarHBondContact O-CG2 3.4Å; R189-T193 PolarHBondContact O-N 2.74Å; R189-T193 PolarHBondContact O-OG1 2.96Å; R189-T193 VanDerWaalsContact O-OG1 3.11Å; R190-T193 WeakPolarHBondContact CA-OG1 3.45Å; R190-T193 PolarHBondContact O-OG1 3.24Å; R190-T193 VanDerWaalsContact O-OG1 3.05Å; T193-G197 PolarHBondContact O-N 3.09Å
194N53.8Low55.1Low113 Ų113130.8 Ų130.860%0.60466%0.657SS**Hα-helixtrans-77.4-31.2175.3-71.72.8000112.2R190 L191R190-N194 WeakPolarHBondContact O-CB 3.32Å; R190-N194 PolarHBondContact O-N 3.23Å; L191-N194 PolarHBondContact O-N 3.25Å
195A54.1Low53.7Low76 Ų76136.4 Ų136.463%0.62867%0.672SS**Hα-helixtrans-77.3-26.1176.700000113.5L191 T192L191-A195 WeakPolarHBondContact O-CB 3.21Å; L191-A195 PolarHBondContact O-N 3.16Å; T192-A195 PolarHBondContact O-N 2.98Å
196Y49Very low52.2Low221 Ų221144 Ų14487%0.86770%0.697SS**Hα-helixtrans-89.8-13.6176.9-146.3-99.5000113.3T192T192-Y196 VanDerWaalsContact O-CB 3.32Å; T192-Y196 WeakPolarHBondContact O-CB 3.21Å; T192-Y196 PolarHBondContact O-N 3.08Å
197G48.3Very low51Low64 Ų64146.4 Ų146.466%0.6671%0.711SS**SBendtrans-90.7-8.1-179.200000116.1T193T193-G197 PolarHBondContact O-N 3.09Å
198D47.8Very low49.7Very low133 Ų133143 Ų14371%0.71172%0.715SS**SBendtrans-12311-169.3-119.9-5.7000115.4
199F42.6Very low48.8Very low189 Ų189154.1 Ų154.183%0.82975%0.747SS**SBendtrans-89.8-0.7178.4-159.3-104.3000114.8
200H43.8Very low47.9Very low189 Ų189157.5 Ų157.588%0.87576%0.76SS**SBendtrans-120.910.7-175.4-101.1-64.8000116.9
201R40.6Very low46.8Very low219 Ų219153.9 Ų153.983%0.82676%0.762SS**SBendtrans-143.276.7-177.8-156.6176.2-173.4-170.62.1113.2
202K40.8Very low46.5Very low209 Ų209155.5 Ų155.591%0.90978%0.776SS**  trans171.781.6143-93161.4-170.8-176.10111.2
203R36Very low46Very low256 Ų256158.4 Ų158.497%0.96679%0.788SS**  trans-111.993.3152.8-90.1-174.1165.6-170.1-3.1106.7
204S43.7Very low45.7Very low100 Ų100165.7 Ų165.770%0.69982%0.822SS**  trans163.690.9164.4164.90000109.1
205F43.4Very low45.3Very low192 Ų192168.3 Ų168.384%0.84283%0.833SS**  175.5101.7123.1-118.1-97.5000108.5
206F43.1Very low44.8Very low206 Ų206173.2 Ų173.290%0.90484%0.843SS**  trans-68.2128.1159.5-90.8-102.1000108.2
207S46.1Very low44.6Very low105 Ų105170.5 Ų170.573%0.73484%0.842SS**  168.3110.4124.859.50000110.4
208G45.8Very low44.3Very low67 Ų67176.8 Ų176.869%0.69185%0.853SS**  trans55.7131.9142.500000119.9
209W47Very low44.1Very low265 Ų265179.5 Ų179.5100%1.00486%0.862SS**  -170.1154.187.3-95.640000108.8
210R42.5Very low44.2Very low245 Ų245178.9 Ų178.993%0.92586%0.864SS**  trans-67.9150.1-164.8-83.7165.1149.3-153.6-4114.2
211C37.2Very low44.3Very low108 Ų108178.1 Ų178.173%0.7386%0.863SS**  trans-81.3138.8160.6-1700000110
212T52.6Low44.5Very low135 Ų135175 Ų17583%0.82887%0.866SS**  trans-139.6113.5152.6-44.30000107.9
213L49.7Very low44.9Very low148 Ų148172.2 Ų172.278%0.77586%0.862SS**  trans-78.2135.7164.3-92.5141.6000109.3
214L51.2Low45.7Very low239 Ų239164.5 Ų164.5100%1.25185%0.853SS**  trans-107.30136-91.1164.5000106.8

Retrieved 214 of 214 residues in 162.6 ms (Link to these results)

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