A0A146MIC5_SCHMA Loading...

Ras-like GTP-binding protein Rho1

AlphaFold DB , UniProt , Accession A0A146MIC5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 193 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M48.3Very low84.4Confident242 Ų24270.7 Ų70.7100%1.19240%0.402SS*.  0138.70-72.5172.4-168.900107.3S3M1-S3 PolarHBondContact O-N 3.28Å
2A58.2Low85.6Confident100 Ų10064.8 Ų64.883%0.82637%0.369SS*.PPolyproline II helixtrans-56.1132.8169.900000108A4A2-A4 PolarHBondContact O-N 3.34Å
3S63.5Low86.6Confident109 Ų10959.8 Ų59.876%0.76234%0.34SS*.PPolyproline II helixtrans-59.9127.6174.455.70000108.2M1 V5M1-S3 PolarHBondContact O-N 3.28Å; S3-V5 PolarHBondContact O-N 3.35Å
4A78.4Confident87.4Confident50 Ų5057 Ų5741%0.41332%0.324SS..PPolyproline II helixtrans-53.6134.4174.300000109.4A2 R6A2-A4 PolarHBondContact O-N 3.34Å; A4-R6 PolarHBondContact O-N 2.87Å
5V92.3Very high88Confident70 Ų7055.5 Ų55.542%0.42433%0.326SS..EExtended strand (participates in β ladder)trans-74.1124.1174.4177.30000106.7S3 K7 Q53 V54 E55 L180S3-V5 PolarHBondContact O-N 3.35Å; V5-K7 HydrophobicContact CG1-CG 4.33Å; V5-Q53 PolarHBondContact N-O 3.46Å; V5-V54 VanDerWaalsContact O-CA 3.29Å; V5-V54 WeakPolarHBondContact O-CA 3.42Å; V5-V54 WeakPolarHBondContact O-CG1 3.19Å; V5-E55 PolarHBondContact O-N 3.24Å; V5-L180 HydrophobicContact CG1-CD2 4.26Å
6R95.8Very high88.5Confident160 Ų16055.3 Ų55.360%0.60433%0.333SS*.EExtended strand (participates in β ladder)trans-86.4133.2176.4-165.1175.4-166.4-163.2-5110.6A4 E55A4-R6 PolarHBondContact O-N 2.87Å; R6-E55 WeakPolarHBondContact CA-O 3.34Å; R6-E55 VanDerWaalsContact CD-OE1 3.26Å; R6-E55 WeakPolarHBondContact CD-OE1 3.37Å; R6-E55 HydrophobicContact CG-CB 4.43Å; R6-E55 IonicContact CZ-OE1 2.68Å; R6-E55 IonicContact NE-OE1 2.68Å; R6-E55 PolarHBondContact NE-OE1 2.92Å; R6-E55 IonicContact NH2-OE1 2.93Å
7K97.5Very high89.1Confident22 Ų2252.1 Ų52.110%0.09631%0.313CS..EExtended strand (participates in β ladder)trans-131.6137.7177.2-70.4-66178.6166.90111.2V5 V54 E55 L56 A57 D79 A179V5-K7 HydrophobicContact CG1-CG 4.33Å; K7-V54 HydrophobicContact CB-CG1 3.95Å; K7-V54 HydrophobicContact CG-CG1 3.93Å; K7-E55 PolarHBondContact N-O 2.9Å; K7-L56 HydrophobicContact CB-CD2 4Å; K7-L56 CarbonylContact O-C 3.59Å; K7-L56 WeakPolarHBondContact O-CA 3.49Å; K7-A57 PolarHBondContact O-N 2.9Å; K7-D79 HydrophobicContact CB-CB 4.41Å; K7-D79 HydrophobicContact CD-CB 3.78Å; K7-D79 VanDerWaalsContact CD-OD1 3.31Å; K7-D79 WeakPolarHBondContact CD-OD1 3.43Å; K7-D79 IonicContact NZ-OD1 3.02Å; K7-D79 PolarHBondContact NZ-OD1 3.21Å; K7-A179 HydrophobicContact CB-CB 4.13Å; K7-A179 HydrophobicContact CD-CB 4.06Å; K7-A179 WeakPolarHBondContact CE-O 3.4Å; K7-A179 HydrophobicContact CG-CB 4.1Å; K7-A179 PolarHBondContact NZ-O 2.92Å
8K98.1Very high89.6Confident25 Ų2549.9 Ų49.911%0.10930%0.303CS..EExtended strand (participates in β ladder)trans-97.7121.9178.6177.7171.8170.5173.20110.8V10 A57 W59 S74 P76 D79 V80K8-V10 HydrophobicContact CG-CG2 4.45Å; K8-A57 WeakPolarHBondContact CA-O 3.16Å; K8-W59 HydrophobicContact CD-CD2 4.41Å; K8-W59 HydrophobicContact CD-CG 4.49Å; K8-W59 HydrophobicContact CD-CZ2 4.49Å; K8-W59 VanDerWaalsContact CE-CD2 3.46Å; K8-W59 VanDerWaalsContact CE-CE2 3.46Å; K8-W59 HydrophobicContact CG-CG 4.39Å; K8-S74 WeakPolarHBondContact CE-O 3.31Å; K8-S74 PolarHBondContact NZ-O 3.34Å; K8-P76 WeakPolarHBondContact CE-O 3.37Å; K8-P76 PolarHBondContact NZ-O 3.19Å; K8-D79 PolarHBondContact N-OD2 3.37Å; K8-D79 WeakPolarHBondContact O-CA 3.37Å; K8-D79 WeakPolarHBondContact O-CB 3.42Å; K8-D79 PolarHBondContact O-N 2.89Å; K8-V80 PolarHBondContact O-N 2.85Å
9L98.7Very high90Very high0 Ų047.8 Ų47.80%029%0.29CS..EExtended strand (participates in β ladder)trans-109.9129.3171.6179.7155.1000108.7I11 L23 A57 L58 W59 V80 L82 F172 A175L9-I11 HydrophobicContact CD2-CB 4.34Å; L9-L23 HydrophobicContact CD2-CD2 4.36Å; L9-A57 PolarHBondContact N-O 2.93Å; L9-L58 HydrophobicContact CB-CD2 4.11Å; L9-L58 HydrophobicContact CD1-CD2 4.35Å; L9-L58 HydrophobicContact CD2-CD2 4.15Å; L9-L58 HydrophobicContact CG-CD2 4.45Å; L9-W59 PolarHBondContact O-N 3.39Å; L9-V80 WeakPolarHBondContact CA-O 3.5Å; L9-V80 HydrophobicContact CB-CG1 3.82Å; L9-V80 HydrophobicContact CD1-CG1 3.97Å; L9-V80 HydrophobicContact CG-CG1 3.89Å; L9-L82 HydrophobicContact CD2-CB 4.12Å; L9-L82 HydrophobicContact CG-CB 4.49Å; L9-F172 HydrophobicContact CD1-CD1 4.16Å; L9-F172 HydrophobicContact CD1-CE1 4.19Å; L9-A175 HydrophobicContact CD1-CB 3.73Å
10V98.8Very high90.4Very high0 Ų046.8 Ų46.80%028%0.284CS..EExtended strand (participates in β ladder)trans-110.9130.2170-177.70000108.5K8 V12 W59 T61 S74 Y75 T78 V80 V81 L82K8-V10 HydrophobicContact CG-CG2 4.45Å; V10-V12 HydrophobicContact CG1-CG1 4.03Å; V10-W59 HydrophobicContact CB-CB 4.35Å; V10-W59 HydrophobicContact CG1-CB 4.4Å; V10-W59 HydrophobicContact CG2-CB 3.86Å; V10-W59 HydrophobicContact CG2-CG 4.27Å; V10-T61 HydrophobicContact CG1-CG2 3.77Å; V10-S74 WeakPolarHBondContact CG2-O 3.44Å; V10-Y75 HydrophobicContact CG1-CD1 3.99Å; V10-Y75 HydrophobicContact CG1-CE1 3.87Å; V10-T78 HydrophobicContact CB-CG2 4.08Å; V10-T78 HydrophobicContact CG2-CG2 3.73Å; V10-T78 WeakPolarHBondContact CG2-OG1 3.37Å; V10-V80 PolarHBondContact N-O 2.93Å; V10-V81 CarbonylContact O-C 3.59Å; V10-V81 WeakPolarHBondContact O-CA 3.39Å; V10-L82 PolarHBondContact O-N 2.68Å
11I98.8Very high90.8Very high0 Ų045.7 Ų45.70%028%0.277CS..EExtended strand (participates in β ladder)trans-102.4133.8174.2-171.6169.7000110.1L9 K19 L22 L23 W59 T61 L82 C84L9-I11 HydrophobicContact CD2-CB 4.34Å; I11-K19 HydrophobicContact CD1-CB 3.63Å; I11-K19 HydrophobicContact CD1-CG 3.87Å; I11-K19 HydrophobicContact CG1-CB 3.94Å; I11-K19 HydrophobicContact CG1-CD 3.96Å; I11-K19 HydrophobicContact CG1-CG 3.8Å; I11-K19 HydrophobicContact CG2-CB 4.12Å; I11-K19 HydrophobicContact CG2-CD 4.46Å; I11-L22 HydrophobicContact CD1-CD2 4.28Å; I11-L23 HydrophobicContact CD1-CD2 4.47Å; I11-L23 HydrophobicContact CD1-CG 4.45Å; I11-L23 HydrophobicContact CG2-CD1 3.62Å; I11-L23 HydrophobicContact CG2-CD2 4.23Å; I11-L23 HydrophobicContact CG2-CG 4.04Å; I11-W59 WeakPolarHBondContact CG2-O 3.31Å; I11-W59 PolarHBondContact N-O 3.04Å; I11-W59 VanDerWaalsContact N-O 3.07Å; I11-T61 WeakPolarHBondContact O-CB 3.44Å; I11-T61 WeakPolarHBondContact O-CG2 3.4Å; I11-T61 PolarHBondContact O-OG1 3.5Å; I11-L82 CarbonylContact C-O 3.54Å; I11-L82 VanDerWaalsContact CA-O 3.31Å; I11-L82 WeakPolarHBondContact CA-O 3.3Å; I11-L82 HydrophobicContact CB-CB 4.13Å; I11-L82 HydrophobicContact CD1-CD2 3.38Å; I11-L82 HydrophobicContact CG1-CB 4Å; I11-L82 HydrophobicContact CG1-CD2 3.78Å; I11-L82 HydrophobicContact CG1-CG 4.43Å; I11-C84 HydrophobicContact CD1-CB 4.48Å; I11-C84 HydrophobicContact CG1-CB 4.42Å
12V98.8Very high93.2Very high0 Ų034.1 Ų34.10%022%0.221CC..EExtended strand (participates in β ladder)trans-139.3166.6-179.7-60.50000110.8V10 T61 Y75 V81 L82 L83 C84 W100 I104V10-V12 HydrophobicContact CG1-CG1 4.03Å; V12-T61 HydrophobicContact CG1-CG2 4.41Å; V12-Y75 HydrophobicContact CG1-CE1 3.72Å; V12-Y75 WeakPolarHBondContact CG1-OH 3.4Å; V12-V81 HydrophobicContact CG2-CG1 3.77Å; V12-L82 PolarHBondContact N-O 3.1Å; V12-L83 HydrophobicContact CG2-CD1 3.9Å; V12-C84 PolarHBondContact O-N 2.78Å; V12-W100 HydrophobicContact CB-CE3 3.93Å; V12-W100 HydrophobicContact CB-CZ3 4.06Å; V12-W100 HydrophobicContact CG2-CE3 4.32Å; V12-I104 HydrophobicContact CG2-CD1 3.65Å; V12-I104 HydrophobicContact CG2-CG1 3.97Å
13G98.7Very high95.1Very high0 Ų029.4 Ų29.40%018%0.181CC..  trans135.4168.8-170.500000111.4K19 G63 C84 W100G13-K19 PolarHBondContact O-NZ 3.4Å; G13-G63 VanDerWaalsContact O-CA 3.24Å; G13-G63 WeakPolarHBondContact O-CA 3.35Å; G13-C84 WeakPolarHBondContact CA-O 3.27Å; G13-W100 VanDerWaalsContact CA-CE2 3.4Å; G13-W100 WeakPolarHBondContact O-CH2 3.29Å; G13-W100 WeakPolarHBondContact O-CZ2 3.36Å
14D98.4Very high96.7Very high20 Ų2025.4 Ų25.411%0.10715%0.151CC..SBendtrans-57.3162.5-173.6-84.86.1000114.9C17 K19 S92 N95 W100D14-C17 PolarHBondContact O-SG 2.87Å; D14-K19 PolarHBondContact O-NZ 2.73Å; D14-S92 VanDerWaalsContact OD2-CA 3.31Å; D14-S92 WeakPolarHBondContact OD2-CA 3.17Å; D14-N95 PolarHBondContact OD2-ND2 3.43Å; D14-W100 WeakPolarHBondContact OD1-CZ2 3.4Å; D14-W100 PolarHBondContact OD1-NE1 3.42Å
15G95.9Very high97.6Very high34 Ų3423.2 Ų23.235%0.35113%0.133SC..THydrogen-bonded Turntrans-52.7143.7167.500000110.9C17 G63G15-C17 PolarHBondContact O-N 3Å; G15-G63 PolarHBondContact N-O 3.23Å; G15-G63 VanDerWaalsContact N-O 3.16Å
16A95.9Very high97.9Very high53 Ų5321.9 Ų21.944%0.43812%0.122SC..THydrogen-bonded Turntrans59.19.3176.100000117.5G18 Y35 K119A16-G18 PolarHBondContact O-N 3.31Å; A16-Y35 PolarHBondContact N-OH 2.95Å; A16-K119 WeakPolarHBondContact O-CE 3.41Å; A16-K119 PolarHBondContact O-NZ 2.99Å
17C97.9Very high97.9Very high1 Ų115.8 Ų15.81%0.00710%0.103CC..SBendtrans-72.8-5172.673.80000113.9D14 G15 K19 C84 N118D14-C17 PolarHBondContact O-SG 2.87Å; G15-C17 PolarHBondContact O-N 3Å; C17-K19 VanDerWaalsContact SG-CG 3.56Å; C17-C84 PolarHBondContact SG-O 3.35Å; C17-N118 PolarHBondContact O-ND2 3.2Å
18G98.1Very high97.8Very high13 Ų1320.4 Ų20.413%0.13412%0.123CC..SBendtrans94.420.6170.700000115.6A16 T20 C21 L22 N118A16-G18 PolarHBondContact O-N 3.31Å; G18-T20 PolarHBondContact O-N 3.1Å; G18-C21 PolarHBondContact O-N 3.36Å; G18-L22 WeakPolarHBondContact O-CB 3.48Å; G18-L22 PolarHBondContact O-N 3.08Å; G18-N118 PolarHBondContact O-ND2 2.9Å
19K98.5Very high97.7Very high10 Ų1024.1 Ų24.14%0.04314%0.144CC..Hα-helixtrans-48.5-57.3176.1-60.4-173.1-62.7-72.40113I11 G13 D14 C17 C21 L22 L23 T61 C84I11-K19 HydrophobicContact CD1-CB 3.63Å; I11-K19 HydrophobicContact CD1-CG 3.87Å; I11-K19 HydrophobicContact CG1-CB 3.94Å; I11-K19 HydrophobicContact CG1-CD 3.96Å; I11-K19 HydrophobicContact CG1-CG 3.8Å; I11-K19 HydrophobicContact CG2-CB 4.12Å; I11-K19 HydrophobicContact CG2-CD 4.46Å; G13-K19 PolarHBondContact O-NZ 3.4Å; D14-K19 PolarHBondContact O-NZ 2.73Å; C17-K19 VanDerWaalsContact SG-CG 3.56Å; K19-C21 PolarHBondContact O-N 3.31Å; K19-L22 WeakPolarHBondContact O-CB 3.46Å; K19-L22 PolarHBondContact O-N 3.05Å; K19-L22 VanDerWaalsContact O-N 3.13Å; K19-L23 PolarHBondContact O-N 2.98Å; K19-T61 WeakPolarHBondContact CE-O 3.26Å; K19-C84 HydrophobicContact CG-CB 4.21Å
20T98Very high97.5Very high27 Ų2730.7 Ų30.717%0.16618%0.175CC..Hα-helixtrans-60-44.7-179.6-50.50000112G18 L22 L23 I24 T38 D60G18-T20 PolarHBondContact O-N 3.1Å; T20-L22 VanDerWaalsContact C-N 3.3Å; T20-L22 PolarHBondContact O-N 2.92Å; T20-L23 PolarHBondContact O-N 2.92Å; T20-I24 HydrophobicContact CG2-CD1 3.73Å; T20-I24 HydrophobicContact CG2-CG1 4.36Å; T20-I24 WeakPolarHBondContact O-CB 3.37Å; T20-I24 VanDerWaalsContact O-CG1 3.26Å; T20-I24 WeakPolarHBondContact O-CG1 3.46Å; T20-I24 PolarHBondContact O-N 2.85Å; T20-T38 PolarHBondContact OG1-OG1 3.21Å; T20-D60 VanDerWaalsContact CA-OD2 3.26Å; T20-D60 WeakPolarHBondContact CA-OD2 3.24Å; T20-D60 WeakPolarHBondContact CB-OD2 3.3Å; T20-D60 VanDerWaalsContact CG2-OD2 3.3Å; T20-D60 WeakPolarHBondContact CG2-OD2 3.39Å; T20-D60 PolarHBondContact OG1-OD1 2.91Å; T20-D60 PolarHBondContact OG1-OD2 2.85Å
21C98Very high97.3Very high23 Ų2334.8 Ų34.816%0.15519%0.193CC..Hα-helixtrans-60.4-41.6176.3-58.50000111.7G18 K19 I24 V25 F31 P32 A162G18-C21 PolarHBondContact O-N 3.36Å; K19-C21 PolarHBondContact O-N 3.31Å; C21-I24 PolarHBondContact O-N 3Å; C21-V25 VanDerWaalsContact O-CB 3.31Å; C21-V25 WeakPolarHBondContact O-CB 3.22Å; C21-V25 WeakPolarHBondContact O-CG2 3.38Å; C21-V25 PolarHBondContact O-N 2.86Å; C21-F31 HydrophobicContact CB-CD2 4.23Å; C21-F31 HydrophobicContact CB-CE2 3.73Å; C21-F31 HydrophobicContact CB-CZ 4.45Å; C21-P32 HydrophobicContact CB-CG 4.21Å; C21-A162 HydrophobicContact CB-CB 4.03Å
22L98.7Very high97Very high0 Ų036.6 Ų36.60%021%0.205CC..Hα-helixtrans-63.8-45.2179-175.660000111.5I11 G18 K19 T20 F26 L82 V116 A162 V168 F172I11-L22 HydrophobicContact CD1-CD2 4.28Å; G18-L22 WeakPolarHBondContact O-CB 3.48Å; G18-L22 PolarHBondContact O-N 3.08Å; K19-L22 WeakPolarHBondContact O-CB 3.46Å; K19-L22 PolarHBondContact O-N 3.05Å; K19-L22 VanDerWaalsContact O-N 3.13Å; T20-L22 VanDerWaalsContact C-N 3.3Å; T20-L22 PolarHBondContact O-N 2.92Å; L22-F26 WeakPolarHBondContact O-CB 3.5Å; L22-F26 PolarHBondContact O-N 2.97Å; L22-L82 HydrophobicContact CD2-CD2 3.72Å; L22-V116 HydrophobicContact CD2-CG1 4.13Å; L22-A162 HydrophobicContact CB-CB 4.34Å; L22-A162 HydrophobicContact CD1-CB 4.36Å; L22-V168 HydrophobicContact CD1-CB 4.32Å; L22-V168 HydrophobicContact CD1-CG1 3.93Å; L22-V168 HydrophobicContact CD1-CG2 3.79Å; L22-F172 HydrophobicContact CD1-CE2 4.19Å; L22-F172 HydrophobicContact CG-CE2 4.01Å; L22-F172 HydrophobicContact CG-CZ 4.22Å
23L98.6Very high96.5Very high0 Ų046.4 Ų46.40%025%0.247CC..Hα-helixtrans-64.2-44.1176-66.2-176.6000112.7L9 I11 K19 T20 F26 S27 Y43 L58 D60 F172L9-L23 HydrophobicContact CD2-CD2 4.36Å; I11-L23 HydrophobicContact CD1-CD2 4.47Å; I11-L23 HydrophobicContact CD1-CG 4.45Å; I11-L23 HydrophobicContact CG2-CD1 3.62Å; I11-L23 HydrophobicContact CG2-CD2 4.23Å; I11-L23 HydrophobicContact CG2-CG 4.04Å; K19-L23 PolarHBondContact O-N 2.98Å; T20-L23 PolarHBondContact O-N 2.92Å; L23-F26 PolarHBondContact O-N 2.86Å; L23-S27 WeakPolarHBondContact O-CB 3.33Å; L23-S27 PolarHBondContact O-N 2.94Å; L23-S27 PolarHBondContact O-OG 3.02Å; L23-Y43 HydrophobicContact CD1-CD2 4.24Å; L23-Y43 HydrophobicContact CD1-CE2 4.47Å; L23-L58 HydrophobicContact CD2-CB 4.11Å; L23-L58 HydrophobicContact CD2-CD1 4.26Å; L23-L58 HydrophobicContact CD2-CD2 4.3Å; L23-L58 HydrophobicContact CD2-CG 4.46Å; L23-D60 HydrophobicContact CD1-CB 3.48Å; L23-D60 VanDerWaalsContact CD1-CB 3.48Å; L23-F172 HydrophobicContact CD2-CE1 3.97Å; L23-F172 HydrophobicContact CD2-CZ 3.91Å
24I96.7Very high96Very high25 Ų2551.8 Ų51.813%0.12828%0.28CS..Hα-helixtrans-66.7-43.3-180-67.6173.9000110.5T20 C21 F26 S27 K28 Q30 P32 Y43T20-I24 HydrophobicContact CG2-CD1 3.73Å; T20-I24 HydrophobicContact CG2-CG1 4.36Å; T20-I24 WeakPolarHBondContact O-CB 3.37Å; T20-I24 VanDerWaalsContact O-CG1 3.26Å; T20-I24 WeakPolarHBondContact O-CG1 3.46Å; T20-I24 PolarHBondContact O-N 2.85Å; C21-I24 PolarHBondContact O-N 3Å; I24-F26 VanDerWaalsContact C-N 3.31Å; I24-F26 PolarHBondContact O-N 3.05Å; I24-S27 PolarHBondContact O-N 2.75Å; I24-K28 HydrophobicContact CG2-CB 4.36Å; I24-K28 HydrophobicContact CG2-CD 4.3Å; I24-K28 WeakPolarHBondContact O-CA 3.44Å; I24-K28 WeakPolarHBondContact O-CB 3.38Å; I24-K28 PolarHBondContact O-N 2.93Å; I24-Q30 VanDerWaalsContact CG2-O 3.32Å; I24-Q30 WeakPolarHBondContact CG2-O 3.43Å; I24-P32 HydrophobicContact CD1-CB 4.48Å; I24-P32 HydrophobicContact CD1-CG 4.2Å; I24-Y43 HydrophobicContact CG1-CE1 3.9Å
25V98.1Very high95.2Very high5 Ų557.2 Ų57.23%0.0330%0.3CS..Hα-helixtrans-62.5-42.2177.71690000110.7C21 D29 Q30 F31 A162 K165 V168C21-V25 VanDerWaalsContact O-CB 3.31Å; C21-V25 WeakPolarHBondContact O-CB 3.22Å; C21-V25 WeakPolarHBondContact O-CG2 3.38Å; C21-V25 PolarHBondContact O-N 2.86Å; V25-D29 WeakPolarHBondContact O-CA 3.48Å; V25-D29 PolarHBondContact O-N 2.92Å; V25-Q30 WeakPolarHBondContact CG2-O 2.76Å; V25-F31 HydrophobicContact CG2-CB 4.05Å; V25-F31 HydrophobicContact CG2-CD2 3.88Å; V25-F31 HydrophobicContact CG2-CG 4.47Å; V25-A162 HydrophobicContact CG2-CB 4.23Å; V25-A162 VanDerWaalsContact CG2-O 3.29Å; V25-A162 WeakPolarHBondContact CG2-O 3.41Å; V25-K165 HydrophobicContact CG1-CB 4.49Å; V25-K165 HydrophobicContact CG1-CG 3.93Å; V25-V168 HydrophobicContact CG1-CG1 4.32Å; V25-V168 HydrophobicContact CG1-CG2 4.27Å
26F98.2Very high94.8Very high42 Ų4260.5 Ų60.518%0.18431%0.313CS..Hα-helixtrans-65.3-47.4175.8172.1-114.3000112.9L22 L23 I24 A45 I47 L56 L58 V168 F172L22-F26 WeakPolarHBondContact O-CB 3.5Å; L22-F26 PolarHBondContact O-N 2.97Å; L23-F26 PolarHBondContact O-N 2.86Å; I24-F26 VanDerWaalsContact C-N 3.31Å; I24-F26 PolarHBondContact O-N 3.05Å; F26-A45 HydrophobicContact CD1-CB 4.04Å; F26-A45 HydrophobicContact CE1-CB 3.47Å; F26-A45 VanDerWaalsContact CE1-CB 3.47Å; F26-A45 HydrophobicContact CZ-CB 4.15Å; F26-I47 HydrophobicContact CE2-CD1 4.08Å; F26-I47 HydrophobicContact CZ-CB 4.21Å; F26-I47 HydrophobicContact CZ-CD1 4Å; F26-L56 HydrophobicContact CE1-CD1 3.9Å; F26-L56 HydrophobicContact CZ-CD1 4.08Å; F26-L58 HydrophobicContact CD1-CD1 3.89Å; F26-L58 HydrophobicContact CE1-CD1 4.15Å; F26-L58 HydrophobicContact CE1-CD2 4.48Å; F26-V168 HydrophobicContact CB-CG1 3.96Å; F26-F172 HydrophobicContact CB-CD2 3.62Å; F26-F172 HydrophobicContact CB-CE1 4.35Å; F26-F172 HydrophobicContact CB-CE2 3.31Å; F26-F172 HydrophobicContact CB-CG 4.29Å; F26-F172 HydrophobicContact CB-CZ 3.72Å; F26-F172 HydrophobicContact CD1-CB 4.4Å; F26-F172 AromaticContact CD1-CD1 3.46Å; F26-F172 HydrophobicContact CD1-CD1 3.46Å; F26-F172 VanDerWaalsContact CD1-CD1 3.46Å; F26-F172 AromaticContact CD1-CD2 3.85Å; F26-F172 HydrophobicContact CD1-CD2 3.85Å; F26-F172 AromaticContact CD1-CE1 3.55Å; F26-F172 HydrophobicContact CD1-CE1 3.55Å; F26-F172 AromaticContact CD1-CE2 3.96Å; F26-F172 HydrophobicContact CD1-CE2 3.96Å; F26-F172 AromaticContact CD1-CG 3.63Å; F26-F172 HydrophobicContact CD1-CG 3.63Å; F26-F172 AromaticContact CD1-CZ 3.81Å; F26-F172 HydrophobicContact CD1-CZ 3.81Å; F26-F172 HydrophobicContact CD2-CB 3.8Å; F26-F172 HydrophobicContact CD2-CD1 4.28Å; F26-F172 AromaticContact CD2-CD2 3.43Å; F26-F172 HydrophobicContact CD2-CD2 3.43Å; F26-F172 VanDerWaalsContact CD2-CD2 3.43Å; F26-F172 HydrophobicContact CD2-CE2 4.08Å; F26-F172 AromaticContact CD2-CG 3.57Å; F26-F172 HydrophobicContact CD2-CG 3.57Å; F26-F172 HydrophobicContact CE1-CB 4.1Å; F26-F172 AromaticContact CE1-CD1 3.52Å; F26-F172 HydrophobicContact CE1-CD1 3.52Å; F26-F172 HydrophobicContact CE1-CD2 4.39Å; F26-F172 HydrophobicContact CE1-CE1 4.02Å; F26-F172 AromaticContact CE1-CG 3.74Å; F26-F172 HydrophobicContact CE1-CG 3.74Å; F26-F172 HydrophobicContact CE2-CB 3.47Å; F26-F172 VanDerWaalsContact CE2-CB 3.47Å; F26-F172 HydrophobicContact CE2-CD1 4.34Å; F26-F172 HydrophobicContact CE2-CD2 4.04Å; F26-F172 AromaticContact CE2-CG 3.7Å; F26-F172 HydrophobicContact CE2-CG 3.7Å; F26-F172 HydrophobicContact CG-CB 4.26Å; F26-F172 AromaticContact CG-CD1 3.87Å; F26-F172 HydrophobicContact CG-CD1 3.87Å; F26-F172 AromaticContact CG-CD2 3.33Å; F26-F172 HydrophobicContact CG-CD2 3.33Å; F26-F172 HydrophobicContact CG-CE1 4Å; F26-F172 AromaticContact CG-CE2 3.51Å; F26-F172 HydrophobicContact CG-CE2 3.51Å; F26-F172 AromaticContact CG-CG 3.54Å; F26-F172 HydrophobicContact CG-CG 3.54Å; F26-F172 AromaticContact CG-CZ 3.84Å; F26-F172 HydrophobicContact CG-CZ 3.84Å; F26-F172 HydrophobicContact CZ-CB 3.64Å; F26-F172 AromaticContact CZ-CD1 3.98Å; F26-F172 HydrophobicContact CZ-CD1 3.98Å; F26-F172 HydrophobicContact CZ-CD2 4.48Å; F26-F172 AromaticContact CZ-CG 3.78Å; F26-F172 HydrophobicContact CZ-CG 3.78Å
27S96.1Very high94.5Very high32 Ų3260.8 Ų60.822%0.22431%0.311CS..Hα-helixtrans-82.4-25.7-172.957.90000114.7L23 I24L23-S27 WeakPolarHBondContact O-CB 3.33Å; L23-S27 PolarHBondContact O-N 2.94Å; L23-S27 PolarHBondContact O-OG 3.02Å; I24-S27 PolarHBondContact O-N 2.75Å
28K95Very high94.2Very high118 Ų11861.5 Ų61.551%0.51332%0.315SS..Hα-helixtrans-128.2-0.9-172.1-57.1-174.9-174.6174.20114I24 Q30I24-K28 HydrophobicContact CG2-CB 4.36Å; I24-K28 HydrophobicContact CG2-CD 4.3Å; I24-K28 WeakPolarHBondContact O-CA 3.44Å; I24-K28 WeakPolarHBondContact O-CB 3.38Å; I24-K28 PolarHBondContact O-N 2.93Å; K28-Q30 WeakPolarHBondContact O-CG 3.49Å; K28-Q30 PolarHBondContact O-N 2.92Å; K28-Q30 VanDerWaalsContact O-N 3.1Å
29D94.8Very high93.7Very high103 Ų10364.4 Ų64.455%0.55133%0.33SS*.SBendtrans55.724.7-178.7-162.544.6000114.7V25 K165V25-D29 WeakPolarHBondContact O-CA 3.48Å; V25-D29 PolarHBondContact O-N 2.92Å; D29-K165 PolarHBondContact O-NZ 3.43Å; D29-K165 WeakPolarHBondContact OD1-CE 3.34Å; D29-K165 IonicContact OD1-NZ 3.58Å; D29-K165 PolarHBondContact OD1-NZ 3.44Å; D29-K165 IonicContact OD2-NZ 2.71Å; D29-K165 PolarHBondContact OD2-NZ 3.32Å
30Q94.4Very high93.3Very high138 Ų13867.8 Ų67.865%0.64535%0.345SS*.  trans-130132.5-176.2-70.7176.130.100111.2I24 V25 K28I24-Q30 VanDerWaalsContact CG2-O 3.32Å; I24-Q30 WeakPolarHBondContact CG2-O 3.43Å; V25-Q30 WeakPolarHBondContact CG2-O 2.76Å; K28-Q30 WeakPolarHBondContact O-CG 3.49Å; K28-Q30 PolarHBondContact O-N 2.92Å; K28-Q30 VanDerWaalsContact O-N 3.1Å
31F94.8Very high93Very high87 Ų8770.7 Ų70.738%0.38236%0.357SS..  trans-87.6122.1172.2-172.9-96.9000110.2C21 V25 A162 K163C21-F31 HydrophobicContact CB-CD2 4.23Å; C21-F31 HydrophobicContact CB-CE2 3.73Å; C21-F31 HydrophobicContact CB-CZ 4.45Å; V25-F31 HydrophobicContact CG2-CB 4.05Å; V25-F31 HydrophobicContact CG2-CD2 3.88Å; V25-F31 HydrophobicContact CG2-CG 4.47Å; F31-A162 HydrophobicContact CD2-CB 4.23Å; F31-A162 WeakPolarHBondContact CD2-O 3.46Å; F31-A162 HydrophobicContact CE2-CB 4.06Å; F31-K163 VanDerWaalsContact CD2-CA 3.46Å; F31-K163 HydrophobicContact CD2-CB 4.17Å; F31-K163 HydrophobicContact CE1-CG 4.36Å; F31-K163 HydrophobicContact CE2-CB 3.83Å; F31-K163 HydrophobicContact CZ-CB 4.03Å; F31-K163 HydrophobicContact CZ-CG 4.33Å
32P92.7Very high92.9Very high37 Ų3773.7 Ų73.724%0.2437%0.371CS..  trans-67.9135.7179.228.9-34.7000110.9C21 I24C21-P32 HydrophobicContact CB-CG 4.21Å; I24-P32 HydrophobicContact CD1-CB 4.48Å; I24-P32 HydrophobicContact CD1-CG 4.2Å
33K88.7Confident92.7Very high206 Ų20674.8 Ų74.890%0.89638%0.375SS*.SBendtrans-88.9-15.6-179.8-64.9-175.5179.7179.80113.9
34V88.1Confident92.5Very high114 Ų11478.6 Ų78.669%0.69140%0.398SS*.SBendtrans-115.2128.3-178.6-178.70000107.9V36V34-V36 HydrophobicContact CG1-CG2 4.3Å
35Y82.8Confident92.5Very high133 Ų13378 Ų7852%0.52240%0.397SS..  trans-89.9126.3173.4175.6-111.4000110.1A16 P37A16-Y35 PolarHBondContact N-OH 2.95Å; Y35-P37 HydrophobicContact CE1-CG 3.83Å
36V86.4Confident92.4Very high103 Ų10383.5 Ų83.562%0.62443%0.426SS*.  trans-127.9125.1169.1-179.80000106.6V34 T38V34-V36 HydrophobicContact CG1-CG2 4.3Å; V36-T38 PolarHBondContact O-N 3.32Å
37P90.6Very high92.4Very high60 Ų6082.4 Ų82.439%0.3942%0.422SS..  trans-59.7124.4174.9-23.132.6000111.5Y35 Q64Y35-P37 HydrophobicContact CE1-CG 3.83Å; P37-Q64 VanDerWaalsContact CB-NE2 3.3Å
38T90.5Very high92.3Very high16 Ų1686 Ų8610%0.09844%0.435CS..  trans-76.5135.3-178.7-52.70000110.8T20 V36 E41 D60 A62T20-T38 PolarHBondContact OG1-OG1 3.21Å; V36-T38 PolarHBondContact O-N 3.32Å; T38-E41 HydrophobicContact CG2-CB 4.41Å; T38-E41 HydrophobicContact CG2-CG 4.14Å; T38-D60 HydrophobicContact CG2-CB 4.27Å; T38-A62 WeakPolarHBondContact O-CA 3.34Å; T38-A62 WeakPolarHBondContact O-CB 3.48Å
39V88.6Confident92.4Very high74 Ų7480.5 Ų80.545%0.44841%0.412SS..SBendtrans-86.8-63.4164.9176.40000108.8A62 Y67V39-A62 WeakPolarHBondContact O-CB 3.49Å; V39-A62 PolarHBondContact O-N 2.82Å; V39-A62 VanDerWaalsContact O-N 3.1Å; V39-Y67 HydrophobicContact CB-CE1 4.07Å; V39-Y67 HydrophobicContact CG1-CD1 3.8Å; V39-Y67 HydrophobicContact CG1-CE1 3.44Å; V39-Y67 VanDerWaalsContact CG1-CE1 3.44Å; V39-Y67 HydrophobicContact CG2-CE1 3.74Å; V39-Y67 WeakPolarHBondContact CG2-OH 3.28Å
40F88.7Confident92.3Very high81 Ų8179.4 Ų79.436%0.35541%0.406SS..EExtended strand (participates in β ladder)trans-163.3131.3176.9174.8-107000109.5N42 W59 D60 S74F40-N42 VanDerWaalsContact CE1-ND2 3.3Å; F40-N42 WeakPolarHBondContact CE1-ND2 3.39Å; F40-N42 VanDerWaalsContact CZ-CG 3.46Å; F40-N42 WeakPolarHBondContact CZ-ND2 3.33Å; F40-N42 WeakPolarHBondContact CZ-OD1 3.48Å; F40-W59 HydrophobicContact CE1-CE3 4.49Å; F40-W59 HydrophobicContact CE1-CZ3 4.3Å; F40-W59 HydrophobicContact CE2-CB 4.36Å; F40-W59 HydrophobicContact CE2-CD2 4.06Å; F40-W59 AromaticContact CE2-CE3 3.29Å; F40-W59 HydrophobicContact CE2-CE3 3.29Å; F40-W59 AromaticContact CE2-CZ3 3.8Å; F40-W59 HydrophobicContact CE2-CZ3 3.8Å; F40-W59 AromaticContact CZ-CD2 3.93Å; F40-W59 HydrophobicContact CZ-CD2 3.93Å; F40-W59 AromaticContact CZ-CE3 3.21Å; F40-W59 HydrophobicContact CZ-CE3 3.21Å; F40-W59 HydrophobicContact CZ-CH2 4.13Å; F40-W59 AromaticContact CZ-CZ3 3.31Å; F40-W59 HydrophobicContact CZ-CZ3 3.31Å; F40-D60 WeakPolarHBondContact CA-O 3.34Å; F40-D60 WeakPolarHBondContact CD2-O 3.47Å; F40-S74 WeakPolarHBondContact CD2-OG 3.5Å; F40-S74 VanDerWaalsContact CE2-OG 3.31Å; F40-S74 WeakPolarHBondContact CE2-OG 3.24Å
41E93.5Very high92.2Very high88 Ų8880 Ų8041%0.41141%0.413SS..EExtended strand (participates in β ladder)trans-142.7152.8175.1-69.1-171.9-167.600111T38 Y43 D60T38-E41 HydrophobicContact CG2-CB 4.41Å; T38-E41 HydrophobicContact CG2-CG 4.14Å; E41-Y43 HydrophobicContact CB-CE2 3.85Å; E41-Y43 PolarHBondContact OE2-OH 3.23Å; E41-D60 HydrophobicContact CB-CB 4.2Å; E41-D60 PolarHBondContact N-O 3.48Å; E41-D60 WeakPolarHBondContact O-CB 3.42Å; E41-D60 PolarHBondContact O-N 2.87Å
42N94Very high92.1Very high86 Ų8680.3 Ų80.346%0.4641%0.412SS..EExtended strand (participates in β ladder)trans-121.1135.7176.5-71.4-45000110.7F40 L58 W59F40-N42 VanDerWaalsContact CE1-ND2 3.3Å; F40-N42 WeakPolarHBondContact CE1-ND2 3.39Å; F40-N42 VanDerWaalsContact CZ-CG 3.46Å; F40-N42 WeakPolarHBondContact CZ-ND2 3.33Å; F40-N42 WeakPolarHBondContact CZ-OD1 3.48Å; N42-L58 WeakPolarHBondContact CA-O 3.08Å; N42-W59 VanDerWaalsContact OD1-CD2 3.25Å
43Y95.2Very high92.2Very high23 Ų2383.1 Ų83.19%0.0942%0.422CS..EExtended strand (participates in β ladder)trans-123.1160.5172.6-55.5-99.5000109.7L23 I24 E41 L58 D60L23-Y43 HydrophobicContact CD1-CD2 4.24Å; L23-Y43 HydrophobicContact CD1-CE2 4.47Å; I24-Y43 HydrophobicContact CG1-CE1 3.9Å; E41-Y43 HydrophobicContact CB-CE2 3.85Å; E41-Y43 PolarHBondContact OE2-OH 3.23Å; Y43-L58 PolarHBondContact N-O 2.87Å; Y43-L58 PolarHBondContact O-N 2.72Å; Y43-D60 HydrophobicContact CE2-CB 4.28Å
44V95.7Very high92.7Very high80 Ų8073.4 Ų73.449%0.48538%0.38SS..EExtended strand (participates in β ladder)trans-124.6136.9169.6179.70000107.6E55 L56V44-E55 HydrophobicContact CG1-CG 3.44Å; V44-E55 VanDerWaalsContact CG1-CG 3.44Å; V44-L56 WeakPolarHBondContact CA-O 3.28Å
45A96.4Very high93.1Very high11 Ų1170.8 Ų70.89%0.09136%0.36CS..EExtended strand (participates in β ladder)trans-140.3135.3174.300000109.7F26 L56 L58F26-A45 HydrophobicContact CD1-CB 4.04Å; F26-A45 HydrophobicContact CE1-CB 3.47Å; F26-A45 VanDerWaalsContact CE1-CB 3.47Å; F26-A45 HydrophobicContact CZ-CB 4.15Å; A45-L56 PolarHBondContact N-O 2.92Å; A45-L56 PolarHBondContact O-N 3.47Å; A45-L58 HydrophobicContact CB-CD1 3.96Å
46D96Very high93.8Very high121 Ų12164.5 Ų64.565%0.64734%0.335SS*.EExtended strand (participates in β ladder)trans-88.8134.3171.9-64.6-47000109.6
47I96.5Very high94.4Very high19 Ų1960 Ų6010%0.09731%0.309CS..EExtended strand (participates in β ladder)trans-143140.5177.3-171.9177.4000110.3F26 V49 V54 L56 F172 V173 T176F26-I47 HydrophobicContact CE2-CD1 4.08Å; F26-I47 HydrophobicContact CZ-CB 4.21Å; F26-I47 HydrophobicContact CZ-CD1 4Å; I47-V49 HydrophobicContact CD1-CG2 3.95Å; I47-V49 HydrophobicContact CG1-CG2 4.03Å; I47-V54 HydrophobicContact CG2-CB 4.15Å; I47-V54 PolarHBondContact N-O 2.91Å; I47-V54 PolarHBondContact O-N 3.44Å; I47-L56 HydrophobicContact CG2-CD1 3.77Å; I47-L56 HydrophobicContact CG2-CG 3.92Å; I47-F172 HydrophobicContact CD1-CB 4.21Å; I47-V173 HydrophobicContact CD1-CG2 4.04Å; I47-T176 HydrophobicContact CG2-CG2 4.09Å
48E95.4Very high94.8Very high107 Ų10757.1 Ų57.150%0.529%0.29SS..EExtended strand (participates in β ladder)trans-99.5123.4171.4-173.6170.6-171.900110.5R52 Q53E48-R52 WeakPolarHBondContact CA-O 3.11Å; E48-Q53 PolarHBondContact OE2-NE2 3.33Å
49V95.9Very high95.1Very high4 Ų459.3 Ų59.32%0.02430%0.297CS..EExtended strand (participates in β ladder)trans-133.7125.4176.1176.30000110I47 N51 R52 V173 T176 R177 L180I47-V49 HydrophobicContact CD1-CG2 3.95Å; I47-V49 HydrophobicContact CG1-CG2 4.03Å; V49-N51 VanDerWaalsContact C-N 3.29Å; V49-N51 PolarHBondContact O-N 2.88Å; V49-R52 PolarHBondContact N-O 3.15Å; V49-R52 WeakPolarHBondContact O-CB 3.39Å; V49-R52 PolarHBondContact O-N 3.47Å; V49-V173 HydrophobicContact CG1-CG1 4.37Å; V49-V173 HydrophobicContact CG2-CB 4.46Å; V49-V173 HydrophobicContact CG2-CG1 4.28Å; V49-V173 HydrophobicContact CG2-CG2 4.34Å; V49-T176 HydrophobicContact CB-CG2 3.83Å; V49-T176 HydrophobicContact CG1-CG2 4.45Å; V49-T176 HydrophobicContact CG2-CG2 3.58Å; V49-R177 HydrophobicContact CG1-CB 4.09Å; V49-L180 HydrophobicContact CB-CD1 4.4Å
50D93.3Very high95.6Very high79 Ų7955.8 Ų55.842%0.42228%0.275SS..THydrogen-bonded Turntrans52.746.3-179.6-46.2-29.5000111.9R52 R177D50-R52 PolarHBondContact O-N 2.91Å; D50-R52 IonicContact OD2-NH2 3.57Å; D50-R177 IonicContact OD1-CZ 3.82Å; D50-R177 IonicContact OD1-NE 3.31Å; D50-R177 PolarHBondContact OD1-NE 3.03Å; D50-R177 IonicContact OD1-NH2 2.87Å; D50-R177 PolarHBondContact OD1-NH2 2.86Å; D50-R177 IonicContact OD2-NE 3.1Å; D50-R177 PolarHBondContact OD2-NE 3.09Å; D50-R177 VanDerWaalsContact OD2-NE 3.1Å
51N92.2Very high96Very high151 Ų15152 Ų5281%0.80726%0.259SS*.THydrogen-bonded Turntrans5923.5-175.7-55.7-24.2000114.8V49V49-N51 VanDerWaalsContact C-N 3.29Å; V49-N51 PolarHBondContact O-N 2.88Å
52R92.9Very high96.2Very high93 Ų9347.9 Ų47.935%0.35124%0.24SC..EExtended strand (participates in β ladder)trans-114.2122.3175.1-63.2177.9-79.7-178.9-1.7109.4E48 V49 D50 L180E48-R52 WeakPolarHBondContact CA-O 3.11Å; V49-R52 PolarHBondContact N-O 3.15Å; V49-R52 WeakPolarHBondContact O-CB 3.39Å; V49-R52 PolarHBondContact O-N 3.47Å; D50-R52 PolarHBondContact O-N 2.91Å; D50-R52 IonicContact OD2-NH2 3.57Å; R52-L180 HydrophobicContact CB-CD1 4.49Å
53Q96Very high96.2Very high97 Ų9744.2 Ų44.245%0.45322%0.223SC..EExtended strand (participates in β ladder)trans-75.3122.7171.4-64.4-64.3-24.500109.6V5 E48V5-Q53 PolarHBondContact N-O 3.46Å; E48-Q53 PolarHBondContact OE2-NE2 3.33Å
54V97.4Very high96Very high1 Ų146.3 Ų46.31%0.00623%0.233CC..EExtended strand (participates in β ladder)trans-124.7128.4-177.5-177.30000109.9V5 K7 I47 L56 T176 L180V5-V54 VanDerWaalsContact O-CA 3.29Å; V5-V54 WeakPolarHBondContact O-CA 3.42Å; V5-V54 WeakPolarHBondContact O-CG1 3.19Å; K7-V54 HydrophobicContact CB-CG1 3.95Å; K7-V54 HydrophobicContact CG-CG1 3.93Å; I47-V54 HydrophobicContact CG2-CB 4.15Å; I47-V54 PolarHBondContact N-O 2.91Å; I47-V54 PolarHBondContact O-N 3.44Å; V54-L56 HydrophobicContact CG1-CD2 4.2Å; V54-L56 HydrophobicContact CG1-CG 4.34Å; V54-T176 HydrophobicContact CB-CG2 4.01Å; V54-T176 HydrophobicContact CG1-CG2 4.04Å; V54-T176 HydrophobicContact CG2-CG2 3.8Å; V54-L180 HydrophobicContact CG2-CD1 3.85Å; V54-L180 HydrophobicContact CG2-CD2 3.85Å; V54-L180 HydrophobicContact CG2-CG 4.14Å
55E97.5Very high95.8Very high60 Ų6048.8 Ų48.828%0.2824%0.24SC..EExtended strand (participates in β ladder)trans-89.4111.4165.3-173.8-167.493.500107.9V5 R6 K7 V44V5-E55 PolarHBondContact O-N 3.24Å; R6-E55 WeakPolarHBondContact CA-O 3.34Å; R6-E55 VanDerWaalsContact CD-OE1 3.26Å; R6-E55 WeakPolarHBondContact CD-OE1 3.37Å; R6-E55 HydrophobicContact CG-CB 4.43Å; R6-E55 IonicContact CZ-OE1 2.68Å; R6-E55 IonicContact NE-OE1 2.68Å; R6-E55 PolarHBondContact NE-OE1 2.92Å; R6-E55 IonicContact NH2-OE1 2.93Å; K7-E55 PolarHBondContact N-O 2.9Å; V44-E55 HydrophobicContact CG1-CG 3.44Å; V44-E55 VanDerWaalsContact CG1-CG 3.44Å
56L97.7Very high95.7Very high0 Ų055 Ų550%027%0.272CS..EExtended strand (participates in β ladder)trans-86.2117.4172.9-74.5177.5000110.3K7 F26 V44 A45 I47 V54 L58 F172 T176K7-L56 HydrophobicContact CB-CD2 4Å; K7-L56 CarbonylContact O-C 3.59Å; K7-L56 WeakPolarHBondContact O-CA 3.49Å; F26-L56 HydrophobicContact CE1-CD1 3.9Å; F26-L56 HydrophobicContact CZ-CD1 4.08Å; V44-L56 WeakPolarHBondContact CA-O 3.28Å; A45-L56 PolarHBondContact N-O 2.92Å; A45-L56 PolarHBondContact O-N 3.47Å; I47-L56 HydrophobicContact CG2-CD1 3.77Å; I47-L56 HydrophobicContact CG2-CG 3.92Å; V54-L56 HydrophobicContact CG1-CD2 4.2Å; V54-L56 HydrophobicContact CG1-CG 4.34Å; L56-L58 HydrophobicContact CB-CD2 3.81Å; L56-L58 HydrophobicContact CB-CG 4.28Å; L56-L58 HydrophobicContact CD1-CD2 4.1Å; L56-L58 PolarHBondContact O-N 3.44Å; L56-F172 HydrophobicContact CD1-CD1 4.33Å; L56-T176 WeakPolarHBondContact CD1-OG1 3.45Å
57A98.2Very high95.6Very high8 Ų852.4 Ų52.47%0.06625%0.253CS..EExtended strand (participates in β ladder)trans-83.2108.6161.300000108.4K7 K8 L9K7-A57 PolarHBondContact O-N 2.9Å; K8-A57 WeakPolarHBondContact CA-O 3.16Å; L9-A57 PolarHBondContact N-O 2.93Å
58L98.6Very high95.6Very high0 Ų054.3 Ų54.30%026%0.264CS..EExtended strand (participates in β ladder)trans-97.2117.7-175.9-54172.8000109.5L9 L23 F26 N42 Y43 A45 L56 F172L9-L58 HydrophobicContact CB-CD2 4.11Å; L9-L58 HydrophobicContact CD1-CD2 4.35Å; L9-L58 HydrophobicContact CD2-CD2 4.15Å; L9-L58 HydrophobicContact CG-CD2 4.45Å; L23-L58 HydrophobicContact CD2-CB 4.11Å; L23-L58 HydrophobicContact CD2-CD1 4.26Å; L23-L58 HydrophobicContact CD2-CD2 4.3Å; L23-L58 HydrophobicContact CD2-CG 4.46Å; F26-L58 HydrophobicContact CD1-CD1 3.89Å; F26-L58 HydrophobicContact CE1-CD1 4.15Å; F26-L58 HydrophobicContact CE1-CD2 4.48Å; N42-L58 WeakPolarHBondContact CA-O 3.08Å; Y43-L58 PolarHBondContact N-O 2.87Å; Y43-L58 PolarHBondContact O-N 2.72Å; A45-L58 HydrophobicContact CB-CD1 3.96Å; L56-L58 HydrophobicContact CB-CD2 3.81Å; L56-L58 HydrophobicContact CB-CG 4.28Å; L56-L58 HydrophobicContact CD1-CD2 4.1Å; L56-L58 PolarHBondContact O-N 3.44Å; L58-F172 HydrophobicContact CD2-CD1 4.42Å; L58-F172 HydrophobicContact CD2-CE1 4.03Å
59W98.6Very high95.5Very high62 Ų6260.4 Ų60.424%0.23528%0.282CS..EExtended strand (participates in β ladder)trans-105.7106-178-7259.7000109.3K8 L9 V10 I11 F40 N42K8-W59 HydrophobicContact CD-CD2 4.41Å; K8-W59 HydrophobicContact CD-CG 4.49Å; K8-W59 HydrophobicContact CD-CZ2 4.49Å; K8-W59 VanDerWaalsContact CE-CD2 3.46Å; K8-W59 VanDerWaalsContact CE-CE2 3.46Å; K8-W59 HydrophobicContact CG-CG 4.39Å; L9-W59 PolarHBondContact O-N 3.39Å; V10-W59 HydrophobicContact CB-CB 4.35Å; V10-W59 HydrophobicContact CG1-CB 4.4Å; V10-W59 HydrophobicContact CG2-CB 3.86Å; V10-W59 HydrophobicContact CG2-CG 4.27Å; I11-W59 WeakPolarHBondContact CG2-O 3.31Å; I11-W59 PolarHBondContact N-O 3.04Å; I11-W59 VanDerWaalsContact N-O 3.07Å; F40-W59 HydrophobicContact CE1-CE3 4.49Å; F40-W59 HydrophobicContact CE1-CZ3 4.3Å; F40-W59 HydrophobicContact CE2-CB 4.36Å; F40-W59 HydrophobicContact CE2-CD2 4.06Å; F40-W59 AromaticContact CE2-CE3 3.29Å; F40-W59 HydrophobicContact CE2-CE3 3.29Å; F40-W59 AromaticContact CE2-CZ3 3.8Å; F40-W59 HydrophobicContact CE2-CZ3 3.8Å; F40-W59 AromaticContact CZ-CD2 3.93Å; F40-W59 HydrophobicContact CZ-CD2 3.93Å; F40-W59 AromaticContact CZ-CE3 3.21Å; F40-W59 HydrophobicContact CZ-CE3 3.21Å; F40-W59 HydrophobicContact CZ-CH2 4.13Å; F40-W59 AromaticContact CZ-CZ3 3.31Å; F40-W59 HydrophobicContact CZ-CZ3 3.31Å; N42-W59 VanDerWaalsContact OD1-CD2 3.25Å
60D98.1Very high95.5Very high0 Ų064.8 Ų64.80%031%0.305CS..EExtended strand (participates in β ladder)trans-84.5137.3176.3-160.52.7000111T20 L23 T38 F40 E41 Y43T20-D60 VanDerWaalsContact CA-OD2 3.26Å; T20-D60 WeakPolarHBondContact CA-OD2 3.24Å; T20-D60 WeakPolarHBondContact CB-OD2 3.3Å; T20-D60 VanDerWaalsContact CG2-OD2 3.3Å; T20-D60 WeakPolarHBondContact CG2-OD2 3.39Å; T20-D60 PolarHBondContact OG1-OD1 2.91Å; T20-D60 PolarHBondContact OG1-OD2 2.85Å; L23-D60 HydrophobicContact CD1-CB 3.48Å; L23-D60 VanDerWaalsContact CD1-CB 3.48Å; T38-D60 HydrophobicContact CG2-CB 4.27Å; F40-D60 WeakPolarHBondContact CA-O 3.34Å; F40-D60 WeakPolarHBondContact CD2-O 3.47Å; E41-D60 HydrophobicContact CB-CB 4.2Å; E41-D60 PolarHBondContact N-O 3.48Å; E41-D60 WeakPolarHBondContact O-CB 3.42Å; E41-D60 PolarHBondContact O-N 2.87Å; Y43-D60 HydrophobicContact CE2-CB 4.28Å
61T98Very high95.7Very high1 Ų161.4 Ų61.41%0.00629%0.286CS..EExtended strand (participates in β ladder)trans-127.8150.2-172.771.50000112.9V10 I11 V12 K19 G63 R71V10-T61 HydrophobicContact CG1-CG2 3.77Å; I11-T61 WeakPolarHBondContact O-CB 3.44Å; I11-T61 WeakPolarHBondContact O-CG2 3.4Å; I11-T61 PolarHBondContact O-OG1 3.5Å; V12-T61 HydrophobicContact CG1-CG2 4.41Å; K19-T61 WeakPolarHBondContact CE-O 3.26Å; T61-G63 PolarHBondContact O-N 3.07Å; T61-R71 HydrophobicContact CG2-CG 4.18Å
62A96.2Very high95.9Very high3 Ų355.3 Ų55.33%0.02526%0.255CS..  trans-62133.1169.200000111.8T38 V39 Y67 R71T38-A62 WeakPolarHBondContact O-CA 3.34Å; T38-A62 WeakPolarHBondContact O-CB 3.48Å; V39-A62 WeakPolarHBondContact O-CB 3.49Å; V39-A62 PolarHBondContact O-N 2.82Å; V39-A62 VanDerWaalsContact O-N 3.1Å; A62-Y67 VanDerWaalsContact CB-CB 3.47Å; A62-Y67 HydrophobicContact CB-CD1 4.33Å; A62-Y67 HydrophobicContact CB-CD2 3.64Å; A62-Y67 HydrophobicContact CB-CE2 4.49Å; A62-Y67 HydrophobicContact CB-CG 3.54Å; A62-R71 PolarHBondContact O-NE 3.36Å; A62-R71 PolarHBondContact O-NH2 3.48Å
63G93.7Very high96.1Very high9 Ų956.9 Ų56.99%0.09327%0.27CS..  trans-93.4-1.9171.600000114.6G13 G15 T61G13-G63 VanDerWaalsContact O-CA 3.24Å; G13-G63 WeakPolarHBondContact O-CA 3.35Å; G15-G63 PolarHBondContact N-O 3.23Å; G15-G63 VanDerWaalsContact N-O 3.16Å; T61-G63 PolarHBondContact O-N 3.07Å
64Q92.6Very high96.1Very high67 Ų6752.6 Ų52.631%0.31325%0.25SS..SBendtrans-86149178.5-62.8173.212.100110.7P37 D66 Y67 R71P37-Q64 VanDerWaalsContact CB-NE2 3.3Å; Q64-D66 VanDerWaalsContact C-N 3.29Å; Q64-D66 PolarHBondContact O-N 3.47Å; Q64-Y67 HydrophobicContact CB-CD2 4.09Å; Q64-Y67 PolarHBondContact O-N 3.18Å; Q64-R71 PolarHBondContact O-NH2 3.31Å; Q64-R71 VanDerWaalsContact O-NH2 3.09Å
65E91.4Very high96.2Very high132 Ų13252.8 Ų52.862%0.61725%0.251SS*.G310 helixtrans-67.6-28.5-179.2-69.5177.8177.400113.1Y67 D68 K99E65-Y67 PolarHBondContact O-N 2.75Å; E65-D68 VanDerWaalsContact O-CB 3.32Å; E65-D68 WeakPolarHBondContact O-CB 3.42Å; E65-D68 VanDerWaalsContact O-CG 3.24Å; E65-D68 PolarHBondContact O-N 3.11Å; E65-K99 IonicContact OE1-NZ 3.39Å; E65-K99 PolarHBondContact OE1-NZ 3.22Å; E65-K99 VanDerWaalsContact OE1-NZ 3.13Å
66D94Very high96.1Very high142 Ų14253 Ų5376%0.75926%0.258SS*.G310 helixtrans-54.7-22175.1-64.4-29.8000112.8Q64Q64-D66 VanDerWaalsContact C-N 3.29Å; Q64-D66 PolarHBondContact O-N 3.47Å
67Y94.6Very high96Very high65 Ų6558.3 Ų58.326%0.25529%0.286SS..G310 helixtrans-105.98.7-179.6-62-85.6000114V39 A62 Q64 E65 R69 L70 R71V39-Y67 HydrophobicContact CB-CE1 4.07Å; V39-Y67 HydrophobicContact CG1-CD1 3.8Å; V39-Y67 HydrophobicContact CG1-CE1 3.44Å; V39-Y67 VanDerWaalsContact CG1-CE1 3.44Å; V39-Y67 HydrophobicContact CG2-CE1 3.74Å; V39-Y67 WeakPolarHBondContact CG2-OH 3.28Å; A62-Y67 VanDerWaalsContact CB-CB 3.47Å; A62-Y67 HydrophobicContact CB-CD1 4.33Å; A62-Y67 HydrophobicContact CB-CD2 3.64Å; A62-Y67 HydrophobicContact CB-CE2 4.49Å; A62-Y67 HydrophobicContact CB-CG 3.54Å; Q64-Y67 HydrophobicContact CB-CD2 4.09Å; Q64-Y67 PolarHBondContact O-N 3.18Å; E65-Y67 PolarHBondContact O-N 2.75Å; Y67-R69 PolarHBondContact O-N 2.94Å; Y67-R69 VanDerWaalsContact O-N 3.1Å; Y67-L70 HydrophobicContact CD1-CD1 3.94Å; Y67-L70 HydrophobicContact CE1-CD1 4.45Å; Y67-L70 PolarHBondContact O-N 3.36Å; Y67-R71 PolarHBondContact O-N 3.2Å
68D94.9Very high96Very high60 Ų6058.5 Ų58.532%0.32129%0.286SS..THydrogen-bonded Turntrans-56-30.6-179.7-78.5-8.5000112.9E65 R71 P72E65-D68 VanDerWaalsContact O-CB 3.32Å; E65-D68 WeakPolarHBondContact O-CB 3.42Å; E65-D68 VanDerWaalsContact O-CG 3.24Å; E65-D68 PolarHBondContact O-N 3.11Å; D68-R71 IonicContact OD1-CZ 2.75Å; D68-R71 VanDerWaalsContact OD1-CZ 3.27Å; D68-R71 IonicContact OD1-NH1 2.93Å; D68-R71 PolarHBondContact OD1-NH1 3.34Å; D68-R71 IonicContact OD1-NH2 3.48Å; D68-R71 PolarHBondContact OD1-NH2 3.41Å; D68-P72 WeakPolarHBondContact O-CD 3.39Å; D68-P72 WeakPolarHBondContact O-CG 3.35Å
69R94.5Very high96Very high234 Ų23458.8 Ų58.888%0.88329%0.288SS*.THydrogen-bonded Turntrans-80.8-23.1177-64.5-174.6179.6-175.80.8113.8Y67Y67-R69 PolarHBondContact O-N 2.94Å; Y67-R69 VanDerWaalsContact O-N 3.1Å
70L95.2Very high96Very high97 Ų9755.9 Ų55.951%0.50828%0.277SS..THydrogen-bonded Turntrans-94.9-36.5-176.9-68.3177.2000112Y67 P72 L73Y67-L70 HydrophobicContact CD1-CD1 3.94Å; Y67-L70 HydrophobicContact CE1-CD1 4.45Å; Y67-L70 PolarHBondContact O-N 3.36Å; L70-P72 VanDerWaalsContact C-N 3.28Å; L70-L73 HydrophobicContact CD2-CD1 4.17Å; L70-L73 VanDerWaalsContact O-CB 3.27Å; L70-L73 WeakPolarHBondContact O-CB 3.5Å; L70-L73 WeakPolarHBondContact O-CG 3.45Å; L70-L73 PolarHBondContact O-N 3.21Å
71R96.9Very high96.1Very high7 Ų755.9 Ų55.93%0.02628%0.277CS..G310 helixtrans-50.8-39.4179.3-169.5-177.5-37.9105.83.8113.7T61 A62 Q64 Y67 D68 L73 S74 Y75 E103T61-R71 HydrophobicContact CG2-CG 4.18Å; A62-R71 PolarHBondContact O-NE 3.36Å; A62-R71 PolarHBondContact O-NH2 3.48Å; Q64-R71 PolarHBondContact O-NH2 3.31Å; Q64-R71 VanDerWaalsContact O-NH2 3.09Å; Y67-R71 PolarHBondContact O-N 3.2Å; D68-R71 IonicContact OD1-CZ 2.75Å; D68-R71 VanDerWaalsContact OD1-CZ 3.27Å; D68-R71 IonicContact OD1-NH1 2.93Å; D68-R71 PolarHBondContact OD1-NH1 3.34Å; D68-R71 IonicContact OD1-NH2 3.48Å; D68-R71 PolarHBondContact OD1-NH2 3.41Å; R71-L73 PolarHBondContact O-N 3.36Å; R71-L73 VanDerWaalsContact O-N 3.09Å; R71-S74 VanDerWaalsContact O-CB 3.3Å; R71-S74 WeakPolarHBondContact O-CB 3.4Å; R71-S74 PolarHBondContact O-N 3.18Å; R71-S74 PolarHBondContact O-OG 3.27Å; R71-Y75 VanDerWaalsContact CD-OH 3.28Å; R71-Y75 WeakPolarHBondContact CD-OH 3.22Å; R71-E103 WeakPolarHBondContact CD-OE1 3.33Å; R71-E103 IonicContact CZ-OE1 2.95Å; R71-E103 VanDerWaalsContact NH1-CD 3.3Å; R71-E103 IonicContact NH1-OE1 3.8Å; R71-E103 PolarHBondContact NH1-OE1 3.44Å; R71-E103 IonicContact NH1-OE2 2.75Å; R71-E103 PolarHBondContact NH1-OE2 3.01Å
72P97.3Very high96.1Very high23 Ų2355.8 Ų55.815%0.14928%0.276CS..G310 helixtrans-62.2-19.9179.2-27.737.9000115.6D68 L70 S74 Y75 P76 F107D68-P72 WeakPolarHBondContact O-CD 3.39Å; D68-P72 WeakPolarHBondContact O-CG 3.35Å; L70-P72 VanDerWaalsContact C-N 3.28Å; P72-S74 PolarHBondContact O-N 2.95Å; P72-Y75 VanDerWaalsContact CA-CD2 3.44Å; P72-Y75 HydrophobicContact CB-CD2 4.03Å; P72-Y75 HydrophobicContact CB-CE2 4.27Å; P72-Y75 HydrophobicContact CG-CE2 4.35Å; P72-Y75 PolarHBondContact O-N 2.64Å; P72-Y75 VanDerWaalsContact O-N 3.14Å; P72-P76 WeakPolarHBondContact O-CD 3.46Å; P72-F107 HydrophobicContact CB-CD1 4.04Å; P72-F107 HydrophobicContact CB-CD2 4.16Å; P72-F107 HydrophobicContact CB-CE1 3.62Å; P72-F107 HydrophobicContact CB-CE2 3.75Å; P72-F107 HydrophobicContact CB-CG 4.31Å; P72-F107 HydrophobicContact CB-CZ 3.47Å; P72-F107 VanDerWaalsContact CB-CZ 3.47Å; P72-F107 HydrophobicContact CG-CD2 4.25Å; P72-F107 HydrophobicContact CG-CE1 4.2Å; P72-F107 HydrophobicContact CG-CE2 3.53Å; P72-F107 HydrophobicContact CG-CZ 3.5Å
73L96.3Very high96.3Very high127 Ų12755.7 Ų55.767%0.66528%0.275SS*.G310 helixtrans-65.5-18.6174.2-57.8177.7000112.3L70 R71 P76L70-L73 HydrophobicContact CD2-CD1 4.17Å; L70-L73 VanDerWaalsContact O-CB 3.27Å; L70-L73 WeakPolarHBondContact O-CB 3.5Å; L70-L73 WeakPolarHBondContact O-CG 3.45Å; L70-L73 PolarHBondContact O-N 3.21Å; R71-L73 PolarHBondContact O-N 3.36Å; R71-L73 VanDerWaalsContact O-N 3.09Å; L73-P76 WeakPolarHBondContact O-CD 3.21Å
74S97.4Very high96.5Very high7 Ų755.2 Ų55.25%0.04927%0.271CS..G310 helixtrans-81.1-17.7175.5-55.80000113.4K8 V10 F40 R71 P72K8-S74 WeakPolarHBondContact CE-O 3.31Å; K8-S74 PolarHBondContact NZ-O 3.34Å; V10-S74 WeakPolarHBondContact CG2-O 3.44Å; F40-S74 WeakPolarHBondContact CD2-OG 3.5Å; F40-S74 VanDerWaalsContact CE2-OG 3.31Å; F40-S74 WeakPolarHBondContact CE2-OG 3.24Å; R71-S74 VanDerWaalsContact O-CB 3.3Å; R71-S74 WeakPolarHBondContact O-CB 3.4Å; R71-S74 PolarHBondContact O-N 3.18Å; R71-S74 PolarHBondContact O-OG 3.27Å; P72-S74 PolarHBondContact O-N 2.95Å
75Y98.2Very high96.8Very high5 Ų552 Ų522%0.0226%0.256CS..  trans-79.9-26.9-172.6-63.4-33.6000118.2V10 V12 R71 P72 D77 T78 E103 F107V10-Y75 HydrophobicContact CG1-CD1 3.99Å; V10-Y75 HydrophobicContact CG1-CE1 3.87Å; V12-Y75 HydrophobicContact CG1-CE1 3.72Å; V12-Y75 WeakPolarHBondContact CG1-OH 3.4Å; R71-Y75 VanDerWaalsContact CD-OH 3.28Å; R71-Y75 WeakPolarHBondContact CD-OH 3.22Å; P72-Y75 VanDerWaalsContact CA-CD2 3.44Å; P72-Y75 HydrophobicContact CB-CD2 4.03Å; P72-Y75 HydrophobicContact CB-CE2 4.27Å; P72-Y75 HydrophobicContact CG-CE2 4.35Å; P72-Y75 PolarHBondContact O-N 2.64Å; P72-Y75 VanDerWaalsContact O-N 3.14Å; Y75-D77 PolarHBondContact O-N 3.23Å; Y75-T78 WeakPolarHBondContact O-CB 3.31Å; Y75-T78 PolarHBondContact O-N 3.32Å; Y75-T78 PolarHBondContact O-OG1 2.82Å; Y75-E103 HydrophobicContact CE2-CG 4.02Å; Y75-E103 WeakPolarHBondContact CE2-OE1 3.38Å; Y75-E103 PolarHBondContact OH-OE1 2.96Å; Y75-F107 HydrophobicContact CD2-CB 3.26Å; Y75-F107 HydrophobicContact CD2-CD1 4.29Å; Y75-F107 AromaticContact CD2-CD2 3.54Å; Y75-F107 HydrophobicContact CD2-CD2 3.54Å; Y75-F107 HydrophobicContact CD2-CE2 4.45Å; Y75-F107 AromaticContact CD2-CG 3.45Å; Y75-F107 HydrophobicContact CD2-CG 3.45Å; Y75-F107 VanDerWaalsContact CD2-CG 3.45Å; Y75-F107 HydrophobicContact CE2-CB 4.04Å; Y75-F107 AromaticContact CE2-CD2 3.58Å; Y75-F107 HydrophobicContact CE2-CD2 3.58Å; Y75-F107 HydrophobicContact CE2-CE2 4.32Å; Y75-F107 HydrophobicContact CE2-CG 4.01Å; Y75-F107 HydrophobicContact CG-CB 3.88Å; Y75-F107 HydrophobicContact CG-CG 4.46Å
76P96.8Very high97.2Very high65 Ų6545.8 Ų45.842%0.42223%0.227SC..THydrogen-bonded Turntrans-52.5135.3178.5-29.736.4000112.5K8 P72 L73 T78K8-P76 WeakPolarHBondContact CE-O 3.37Å; K8-P76 PolarHBondContact NZ-O 3.19Å; P72-P76 WeakPolarHBondContact O-CD 3.46Å; L73-P76 WeakPolarHBondContact O-CD 3.21Å; P76-T78 PolarHBondContact O-N 2.76Å
77D95.7Very high97.4Very high110 Ų11039 Ų3959%0.58819%0.191SC*.THydrogen-bonded Turntrans62.716.9176.6-51.3-50.1000116.2Y75 D79Y75-D77 PolarHBondContact O-N 3.23Å; D77-D79 PolarHBondContact O-N 2.71Å
78T98.2Very high97.6Very high12 Ų1237.6 Ų37.67%0.07419%0.187CC..  trans-59.7132.3175.4-57.60000111.7V10 Y75 P76 V80 V81 V111V10-T78 HydrophobicContact CB-CG2 4.08Å; V10-T78 HydrophobicContact CG2-CG2 3.73Å; V10-T78 WeakPolarHBondContact CG2-OG1 3.37Å; Y75-T78 WeakPolarHBondContact O-CB 3.31Å; Y75-T78 PolarHBondContact O-N 3.32Å; Y75-T78 PolarHBondContact O-OG1 2.82Å; P76-T78 PolarHBondContact O-N 2.76Å; T78-V80 WeakPolarHBondContact CG2-O 3.31Å; T78-V81 HydrophobicContact CG2-CG2 3.94Å; T78-V111 HydrophobicContact CG2-CG1 4.03Å
79D98.3Very high97.8Very high7 Ų736.7 Ų36.74%0.03719%0.186CC..SBendtrans-95-28.4177.8-69.6-85.8000112.8K7 K8 D77 P112 A179 S182 K184K7-D79 HydrophobicContact CB-CB 4.41Å; K7-D79 HydrophobicContact CD-CB 3.78Å; K7-D79 VanDerWaalsContact CD-OD1 3.31Å; K7-D79 WeakPolarHBondContact CD-OD1 3.43Å; K7-D79 IonicContact NZ-OD1 3.02Å; K7-D79 PolarHBondContact NZ-OD1 3.21Å; K8-D79 PolarHBondContact N-OD2 3.37Å; K8-D79 WeakPolarHBondContact O-CA 3.37Å; K8-D79 WeakPolarHBondContact O-CB 3.42Å; K8-D79 PolarHBondContact O-N 2.89Å; D77-D79 PolarHBondContact O-N 2.71Å; D79-P112 WeakPolarHBondContact O-CD 3.4Å; D79-A179 HydrophobicContact CB-CB 3.89Å; D79-S182 PolarHBondContact O-OG 3.36Å; D79-K184 WeakPolarHBondContact OD1-CE 3.44Å; D79-K184 IonicContact OD1-NZ 2.98Å; D79-K184 PolarHBondContact OD1-NZ 2.89Å; D79-K184 IonicContact OD2-NZ 3.25Å; D79-K184 PolarHBondContact OD2-NZ 2.9Å
80V98.8Very high98Very high0 Ų026.1 Ų26.10%015%0.147CC..EExtended strand (participates in β ladder)trans-153.2144.8175.962.90000110.3K8 L9 V10 T78 P112 V114 A175 A178 A179K8-V80 PolarHBondContact O-N 2.85Å; L9-V80 WeakPolarHBondContact CA-O 3.5Å; L9-V80 HydrophobicContact CB-CG1 3.82Å; L9-V80 HydrophobicContact CD1-CG1 3.97Å; L9-V80 HydrophobicContact CG-CG1 3.89Å; V10-V80 PolarHBondContact N-O 2.93Å; T78-V80 WeakPolarHBondContact CG2-O 3.31Å; V80-P112 HydrophobicContact CB-CG 4.36Å; V80-P112 HydrophobicContact CG2-CG 4.28Å; V80-P112 WeakPolarHBondContact CG2-O 3.34Å; V80-V114 HydrophobicContact CG2-CG2 4.32Å; V80-A175 HydrophobicContact CG1-CB 4.3Å; V80-A175 HydrophobicContact CG2-CB 4.17Å; V80-A178 HydrophobicContact CG2-CB 4.09Å; V80-A179 HydrophobicContact CB-CB 3.94Å; V80-A179 HydrophobicContact CG1-CB 3.81Å
81V98.9Very high98.1Very high0 Ų025.5 Ų25.50%014%0.144CC..EExtended strand (participates in β ladder)trans-106.9130.8171.6178.60000109.6V10 V12 T78 I104 C108 V111 P112 I113 V114V10-V81 CarbonylContact O-C 3.59Å; V10-V81 WeakPolarHBondContact O-CA 3.39Å; V12-V81 HydrophobicContact CG2-CG1 3.77Å; T78-V81 HydrophobicContact CG2-CG2 3.94Å; V81-I104 HydrophobicContact CB-CG2 4.43Å; V81-I104 HydrophobicContact CG1-CD1 3.83Å; V81-I104 HydrophobicContact CG1-CG1 4.09Å; V81-I104 HydrophobicContact CG1-CG2 4.37Å; V81-I104 HydrophobicContact CG2-CG2 4.1Å; V81-C108 HydrophobicContact CG2-CB 4.37Å; V81-V111 HydrophobicContact CG2-CG1 3.95Å; V81-P112 PolarHBondContact N-O 2.55Å; V81-I113 HydrophobicContact CB-CG1 4.44Å; V81-I113 CarbonylContact O-C 3.4Å; V81-I113 WeakPolarHBondContact O-CA 3.28Å; V81-V114 PolarHBondContact O-N 3.38Å
82L98.9Very high98.2Very high0 Ų025.2 Ų25.20%014%0.144CC..EExtended strand (participates in β ladder)trans-95.4111.4165.7-156.194.7000108.6L9 V10 I11 V12 L22 V114 V116 V171 A175L9-L82 HydrophobicContact CD2-CB 4.12Å; L9-L82 HydrophobicContact CG-CB 4.49Å; V10-L82 PolarHBondContact O-N 2.68Å; I11-L82 CarbonylContact C-O 3.54Å; I11-L82 VanDerWaalsContact CA-O 3.31Å; I11-L82 WeakPolarHBondContact CA-O 3.3Å; I11-L82 HydrophobicContact CB-CB 4.13Å; I11-L82 HydrophobicContact CD1-CD2 3.38Å; I11-L82 HydrophobicContact CG1-CB 4Å; I11-L82 HydrophobicContact CG1-CD2 3.78Å; I11-L82 HydrophobicContact CG1-CG 4.43Å; V12-L82 PolarHBondContact N-O 3.1Å; L22-L82 HydrophobicContact CD2-CD2 3.72Å; L82-V114 HydrophobicContact CD1-CB 4.14Å; L82-V114 HydrophobicContact CD1-CG1 4.21Å; L82-V116 HydrophobicContact CD1-CG2 3.74Å; L82-V116 HydrophobicContact CD2-CB 4.48Å; L82-V116 HydrophobicContact CD2-CG2 3.86Å; L82-V116 HydrophobicContact CG-CG2 3.66Å; L82-V171 HydrophobicContact CD1-CG1 3.47Å; L82-V171 VanDerWaalsContact CD1-CG1 3.47Å; L82-V171 HydrophobicContact CD2-CG1 4.16Å; L82-V171 HydrophobicContact CG-CG1 4.38Å; L82-A175 HydrophobicContact CD1-CB 4.18Å
83L98.9Very high98.3Very high0 Ų025.3 Ų25.30%014%0.142CC..EExtended strand (participates in β ladder)trans-100.8113.6179.5175.153.4000109.1V12 I96 W100 I104 I113 V114 L115 V116 I152V12-L83 HydrophobicContact CG2-CD1 3.9Å; L83-I96 HydrophobicContact CD1-CD1 3.57Å; L83-I96 HydrophobicContact CD2-CD1 4Å; L83-I96 HydrophobicContact CD2-CG2 3.91Å; L83-I96 HydrophobicContact CG-CD1 3.63Å; L83-W100 HydrophobicContact CD1-CB 3.48Å; L83-W100 VanDerWaalsContact CD1-CB 3.48Å; L83-W100 HydrophobicContact CD1-CG 3.95Å; L83-W100 HydrophobicContact CD2-CB 4.49Å; L83-I104 HydrophobicContact CB-CD1 4.17Å; L83-I104 HydrophobicContact CD1-CD1 3.98Å; L83-I104 HydrophobicContact CD2-CD1 3.8Å; L83-I104 HydrophobicContact CG-CD1 4.2Å; L83-I113 HydrophobicContact CB-CG2 3.67Å; L83-I113 HydrophobicContact CD2-CG2 4.15Å; L83-V114 PolarHBondContact N-O 2.83Å; L83-L115 HydrophobicContact CB-CD1 4.39Å; L83-L115 HydrophobicContact CD2-CD1 4.22Å; L83-L115 HydrophobicContact CG-CD1 3.97Å; L83-L115 CarbonylContact O-C 3.51Å; L83-L115 WeakPolarHBondContact O-CA 3.06Å; L83-V116 PolarHBondContact O-N 3.16Å; L83-I152 HydrophobicContact CD2-CD1 4.03Å
84C98.9Very high98.4Very high0 Ų024.1 Ų24.10%013%0.133CC..EExtended strand (participates in β ladder)trans-113.9127.6-168.2-1670000111.8I11 V12 G13 C17 K19 V116I11-C84 HydrophobicContact CD1-CB 4.48Å; I11-C84 HydrophobicContact CG1-CB 4.42Å; V12-C84 PolarHBondContact O-N 2.78Å; G13-C84 WeakPolarHBondContact CA-O 3.27Å; C17-C84 PolarHBondContact SG-O 3.35Å; K19-C84 HydrophobicContact CG-CB 4.21Å; C84-V116 WeakPolarHBondContact CA-O 3.45Å
85Y98.9Very high98.5Very high0 Ų025.8 Ų25.80%014%0.141CC..EExtended strand (participates in β ladder)trans-113.4171.6161.371.7-85.6000109.8I87 S92 F93 L115 V116 G117 N118 V140 G145 F157Y85-I87 HydrophobicContact CE2-CG1 4.05Å; Y85-S92 WeakPolarHBondContact CB-O 3.29Å; Y85-F93 HydrophobicContact CD1-CD2 4.1Å; Y85-F93 HydrophobicContact CD2-CB 3.86Å; Y85-F93 AromaticContact CD2-CD2 3.94Å; Y85-F93 HydrophobicContact CD2-CD2 3.94Å; Y85-F93 HydrophobicContact CD2-CG 4.35Å; Y85-F93 HydrophobicContact CE1-CD2 4.06Å; Y85-F93 HydrophobicContact CE1-CE2 4.49Å; Y85-F93 HydrophobicContact CE2-CB 4.45Å; Y85-F93 AromaticContact CE2-CD2 3.92Å; Y85-F93 HydrophobicContact CE2-CD2 3.92Å; Y85-F93 HydrophobicContact CG-CB 4.17Å; Y85-F93 HydrophobicContact CG-CD2 4.04Å; Y85-F93 AromaticContact CZ-CD2 3.96Å; Y85-L115 HydrophobicContact CD1-CD1 4.06Å; Y85-L115 HydrophobicContact CD1-CG 4.38Å; Y85-L115 HydrophobicContact CE1-CD1 4.33Å; Y85-L115 HydrophobicContact CE1-CD2 4.33Å; Y85-L115 HydrophobicContact CE1-CG 4.16Å; Y85-V116 WeakPolarHBondContact CD1-O 3.42Å; Y85-V116 PolarHBondContact N-O 3.46Å; Y85-G117 VanDerWaalsContact CE1-CA 3.41Å; Y85-N118 PolarHBondContact O-N 3.21Å; Y85-V140 HydrophobicContact CD2-CG2 4.47Å; Y85-V140 HydrophobicContact CE2-CB 3.93Å; Y85-V140 HydrophobicContact CE2-CG1 3.75Å; Y85-V140 HydrophobicContact CE2-CG2 4.25Å; Y85-G145 WeakPolarHBondContact OH-CA 3.43Å; Y85-F157 HydrophobicContact CE1-CE2 4.14Å
86S98.9Very high98.5Very high1 Ų125.5 Ų25.51%0.00714%0.14CC..EExtended strand (participates in β ladder)trans-111.5129177.5-1470000110.2D88 S89 S92 K119S86-D88 WeakPolarHBondContact CB-OD1 3.14Å; S86-D88 PolarHBondContact O-N 3.12Å; S86-D88 PolarHBondContact OG-OD1 3.07Å; S86-S89 CarbonylContact O-C 3.6Å; S86-S89 PolarHBondContact O-N 3.28Å; S86-S89 VanDerWaalsContact O-O 3.12Å; S86-S92 PolarHBondContact N-OG 2.86Å; S86-S92 PolarHBondContact O-OG 3.4Å; S86-K119 WeakPolarHBondContact OG-CD 3.31Å; S86-K119 WeakPolarHBondContact OG-CE 3.35Å; S86-K119 WeakPolarHBondContact OG-CG 3.16Å; S86-K119 PolarHBondContact OG-NZ 2.89Å
87I98.9Very high98.6Very high0 Ų025 Ų250%014%0.137CC..THydrogen-bonded Turntrans-62.5-30.4-178.9-73.8163.1000112Y85 S89 G117 N118 K120 R123 P139 V140 E159Y85-I87 HydrophobicContact CE2-CG1 4.05Å; I87-S89 VanDerWaalsContact C-N 3.29Å; I87-S89 PolarHBondContact O-N 2.97Å; I87-G117 WeakPolarHBondContact CD1-O 3.13Å; I87-N118 WeakPolarHBondContact CB-O 3.25Å; I87-N118 WeakPolarHBondContact CG1-O 3.25Å; I87-N118 PolarHBondContact N-O 2.88Å; I87-K120 HydrophobicContact CD1-CB 3.87Å; I87-K120 HydrophobicContact CD1-CG 4.25Å; I87-R123 HydrophobicContact CG2-CB 3.91Å; I87-R123 HydrophobicContact CG2-CG 4.48Å; I87-P139 HydrophobicContact CG2-CB 4.07Å; I87-P139 CarbonylContact O-C 3.34Å; I87-P139 VanDerWaalsContact O-CA 3.23Å; I87-P139 WeakPolarHBondContact O-CA 3.25Å; I87-V140 WeakPolarHBondContact CG2-O 3.16Å; I87-V140 PolarHBondContact O-N 3.28Å; I87-E159 HydrophobicContact CD1-CB 4.28Å; I87-E159 HydrophobicContact CD1-CG 4.19Å
88D98.6Very high98.7Very high35 Ų3526.5 Ų26.519%0.18714%0.14CC..THydrogen-bonded Turntrans-81.43.5174.467.4-33.5000114.3S86 K119 L122 T128S86-D88 WeakPolarHBondContact CB-OD1 3.14Å; S86-D88 PolarHBondContact O-N 3.12Å; S86-D88 PolarHBondContact OG-OD1 3.07Å; D88-K119 WeakPolarHBondContact OD1-CD 3.43Å; D88-K119 IonicContact OD1-NZ 3.13Å; D88-K119 PolarHBondContact OD1-NZ 3.27Å; D88-K119 IonicContact OD2-NZ 3.09Å; D88-K119 PolarHBondContact OD2-NZ 3.02Å; D88-K119 VanDerWaalsContact OD2-NZ 3.09Å; D88-L122 HydrophobicContact CB-CB 3.98Å; D88-L122 HydrophobicContact CB-CD1 3.84Å; D88-L122 VanDerWaalsContact OD2-CD1 3.24Å; D88-L122 WeakPolarHBondContact OD2-CD1 3.49Å; D88-T128 HydrophobicContact CB-CG2 3.57Å
89S98.6Very high98.7Very high41 Ų4127.6 Ų27.629%0.28714%0.144SC..BIsolated β-bridgetrans-13791.9-179.3178.50000110.8S86 I87 D91 S92 F93S86-S89 CarbonylContact O-C 3.6Å; S86-S89 PolarHBondContact O-N 3.28Å; S86-S89 VanDerWaalsContact O-O 3.12Å; I87-S89 VanDerWaalsContact C-N 3.29Å; I87-S89 PolarHBondContact O-N 2.97Å; S89-D91 VanDerWaalsContact C-N 3.26Å; S89-D91 PolarHBondContact O-N 3.35Å; S89-S92 WeakPolarHBondContact O-CB 3.09Å; S89-S92 PolarHBondContact O-N 3.45Å; S89-S92 VanDerWaalsContact O-N 3.07Å; S89-S92 PolarHBondContact O-OG 3.18Å; S89-F93 PolarHBondContact O-N 2.96Å
90P98.7Very high98.7Very high12 Ų1227.2 Ų27.28%0.07814%0.142CC..Hα-helixtrans-57.9-35.8177.3-30.141.2000113.5S92 F93 E94 L132 Q137 L138 V140P90-S92 VanDerWaalsContact C-N 3.26Å; P90-S92 PolarHBondContact O-N 3.42Å; P90-F93 CarbonylContact O-C 3.54Å; P90-F93 WeakPolarHBondContact O-CA 3.32Å; P90-F93 VanDerWaalsContact O-CB 3.3Å; P90-F93 WeakPolarHBondContact O-CB 3.35Å; P90-F93 PolarHBondContact O-N 3.16Å; P90-E94 PolarHBondContact O-N 2.73Å; P90-L132 HydrophobicContact CG-CD2 4.26Å; P90-Q137 HydrophobicContact CG-CB 4.13Å; P90-Q137 HydrophobicContact CG-CG 4.41Å; P90-L138 WeakPolarHBondContact CG-O 3.22Å; P90-V140 HydrophobicContact CG-CG2 4.45Å
91D98.4Very high98.7Very high83 Ų8328.7 Ų28.744%0.44415%0.15SC..Hα-helixtrans-56.2-41.2174.5-56.51.9000111.6S89 F93 E94 N95 Q137S89-D91 VanDerWaalsContact C-N 3.26Å; S89-D91 PolarHBondContact O-N 3.35Å; D91-F93 PolarHBondContact O-N 2.97Å; D91-E94 PolarHBondContact O-N 3.39Å; D91-N95 WeakPolarHBondContact O-CB 3.37Å; D91-N95 VanDerWaalsContact O-CG 3.27Å; D91-N95 PolarHBondContact O-N 2.68Å; D91-N95 PolarHBondContact O-ND2 2.92Å; D91-Q137 PolarHBondContact OD1-NE2 2.93Å
92S98.8Very high98.7Very high1 Ų131.9 Ų31.91%0.00717%0.17CC..Hα-helixtrans-66-23.417776.70000113.9D14 Y85 S86 S89 P90D14-S92 VanDerWaalsContact OD2-CA 3.31Å; D14-S92 WeakPolarHBondContact OD2-CA 3.17Å; Y85-S92 WeakPolarHBondContact CB-O 3.29Å; S86-S92 PolarHBondContact N-OG 2.86Å; S86-S92 PolarHBondContact O-OG 3.4Å; S89-S92 WeakPolarHBondContact O-CB 3.09Å; S89-S92 PolarHBondContact O-N 3.45Å; S89-S92 VanDerWaalsContact O-N 3.07Å; S89-S92 PolarHBondContact O-OG 3.18Å; P90-S92 VanDerWaalsContact C-N 3.26Å; P90-S92 PolarHBondContact O-N 3.42Å
93F98.9Very high98.6Very high26 Ų2633.2 Ų33.211%0.11418%0.176CC..Hα-helixtrans-83.5-42174.8173-102.7000111.5Y85 S89 P90 D91 N95 I96 V140 E144 M148Y85-F93 HydrophobicContact CD1-CD2 4.1Å; Y85-F93 HydrophobicContact CD2-CB 3.86Å; Y85-F93 AromaticContact CD2-CD2 3.94Å; Y85-F93 HydrophobicContact CD2-CD2 3.94Å; Y85-F93 HydrophobicContact CD2-CG 4.35Å; Y85-F93 HydrophobicContact CE1-CD2 4.06Å; Y85-F93 HydrophobicContact CE1-CE2 4.49Å; Y85-F93 HydrophobicContact CE2-CB 4.45Å; Y85-F93 AromaticContact CE2-CD2 3.92Å; Y85-F93 HydrophobicContact CE2-CD2 3.92Å; Y85-F93 HydrophobicContact CG-CB 4.17Å; Y85-F93 HydrophobicContact CG-CD2 4.04Å; Y85-F93 AromaticContact CZ-CD2 3.96Å; S89-F93 PolarHBondContact O-N 2.96Å; P90-F93 CarbonylContact O-C 3.54Å; P90-F93 WeakPolarHBondContact O-CA 3.32Å; P90-F93 VanDerWaalsContact O-CB 3.3Å; P90-F93 WeakPolarHBondContact O-CB 3.35Å; P90-F93 PolarHBondContact O-N 3.16Å; D91-F93 PolarHBondContact O-N 2.97Å; F93-N95 VanDerWaalsContact C-N 3.26Å; F93-N95 PolarHBondContact O-N 2.9Å; F93-I96 VanDerWaalsContact O-CB 3.22Å; F93-I96 WeakPolarHBondContact O-CB 3.4Å; F93-I96 VanDerWaalsContact O-CG1 3.25Å; F93-I96 WeakPolarHBondContact O-CG1 3.32Å; F93-I96 PolarHBondContact O-N 2.89Å; F93-I96 VanDerWaalsContact O-N 3.1Å; F93-V140 HydrophobicContact CB-CG2 3.78Å; F93-V140 HydrophobicContact CD1-CG1 4.22Å; F93-V140 HydrophobicContact CD1-CG2 4.3Å; F93-V140 HydrophobicContact CD2-CG1 3.93Å; F93-V140 HydrophobicContact CE1-CG1 4.38Å; F93-V140 HydrophobicContact CE2-CG1 4.09Å; F93-V140 HydrophobicContact CG-CG1 3.98Å; F93-V140 HydrophobicContact CG-CG2 4.01Å; F93-V140 HydrophobicContact CZ-CG1 4.31Å; F93-E144 HydrophobicContact CE1-CB 4.23Å; F93-E144 HydrophobicContact CZ-CB 3.91Å; F93-E144 WeakPolarHBondContact CZ-O 3.41Å; F93-M148 HydrophobicContact CD1-CE 4.39Å; F93-M148 HydrophobicContact CD2-CE 4.37Å; F93-M148 HydrophobicContact CE1-CE 3.84Å; F93-M148 HydrophobicContact CE2-CB 3.48Å; F93-M148 VanDerWaalsContact CE2-CB 3.48Å; F93-M148 HydrophobicContact CE2-CE 3.82Å; F93-M148 HydrophobicContact CE2-CG 3.77Å; F93-M148 HydrophobicContact CZ-CB 3.7Å; F93-M148 HydrophobicContact CZ-CE 3.53Å; F93-M148 HydrophobicContact CZ-CG 4.2Å
94E98.6Very high98.6Very high102 Ų10233.2 Ų33.248%0.47718%0.176SC..Hα-helixtrans-61.9-34.8173.9-68.7175.4-173.400111.7P90 D91 I96 P97 E98P90-E94 PolarHBondContact O-N 2.73Å; D91-E94 PolarHBondContact O-N 3.39Å; E94-I96 PolarHBondContact O-N 3.1Å; E94-I96 VanDerWaalsContact O-N 3.16Å; E94-P97 VanDerWaalsContact O-CD 3.22Å; E94-P97 WeakPolarHBondContact O-CD 3.35Å; E94-E98 WeakPolarHBondContact O-CG 3.43Å
95N98.8Very high98.6Very high41 Ų4137.2 Ų37.222%0.21919%0.192CC..Hα-helixtrans-68-10.9175.6-76.2-28.5000114.3D14 D91 F93 K99 W100D14-N95 PolarHBondContact OD2-ND2 3.43Å; D91-N95 WeakPolarHBondContact O-CB 3.37Å; D91-N95 VanDerWaalsContact O-CG 3.27Å; D91-N95 PolarHBondContact O-N 2.68Å; D91-N95 PolarHBondContact O-ND2 2.92Å; F93-N95 VanDerWaalsContact C-N 3.26Å; F93-N95 PolarHBondContact O-N 2.9Å; N95-K99 HydrophobicContact CB-CB 4.44Å; N95-K99 WeakPolarHBondContact O-CB 3.26Å; N95-K99 PolarHBondContact O-N 3.14Å; N95-W100 VanDerWaalsContact O-CD1 3.27Å; N95-W100 PolarHBondContact O-N 3.39Å
96I98.9Very high98.5Very high0 Ų043.9 Ų43.90%022%0.222CC..Iπ-helixtrans-59-61.4178.1-65.7-60.8000111.3L83 F93 E94 W100 L101 L115 M148 I152L83-I96 HydrophobicContact CD1-CD1 3.57Å; L83-I96 HydrophobicContact CD2-CD1 4Å; L83-I96 HydrophobicContact CD2-CG2 3.91Å; L83-I96 HydrophobicContact CG-CD1 3.63Å; F93-I96 VanDerWaalsContact O-CB 3.22Å; F93-I96 WeakPolarHBondContact O-CB 3.4Å; F93-I96 VanDerWaalsContact O-CG1 3.25Å; F93-I96 WeakPolarHBondContact O-CG1 3.32Å; F93-I96 PolarHBondContact O-N 2.89Å; F93-I96 VanDerWaalsContact O-N 3.1Å; E94-I96 PolarHBondContact O-N 3.1Å; E94-I96 VanDerWaalsContact O-N 3.16Å; I96-W100 PolarHBondContact O-N 2.85Å; I96-L101 WeakPolarHBondContact O-CB 3.39Å; I96-L101 PolarHBondContact O-N 3.36Å; I96-L115 HydrophobicContact CD1-CD1 4.1Å; I96-L115 HydrophobicContact CG1-CD1 4.36Å; I96-L115 HydrophobicContact CG2-CD1 4.25Å; I96-M148 HydrophobicContact CB-CE 4.43Å; I96-M148 HydrophobicContact CB-CG 4.38Å; I96-M148 HydrophobicContact CB-SD 4.25Å; I96-M148 HydrophobicContact CG2-CG 3.82Å; I96-M148 HydrophobicContact CG2-SD 3.81Å; I96-I152 HydrophobicContact CG2-CD1 4.09Å; I96-I152 HydrophobicContact CG2-CG2 4.2Å
97P98.4Very high98.5Very high54 Ų5448.2 Ų48.235%0.35124%0.241SC..Iπ-helixtrans-74.6-29.3177.329.4-37.1000113.2E94 P102 M148E94-P97 VanDerWaalsContact O-CD 3.22Å; E94-P97 WeakPolarHBondContact O-CD 3.35Å; P97-P102 WeakPolarHBondContact O-CD 3.21Å; P97-P102 WeakPolarHBondContact O-CG 3.38Å; P97-M148 HydrophobicContact CG-CE 3.97Å; P97-M148 HydrophobicContact CG-SD 4.19Å
98E97.8Very high98.4Very high142 Ų14248.4 Ų48.466%0.66424%0.243SC*.Iπ-helixtrans-78.2-35.4-172.5-64.9-170.8173.100113.3E94E94-E98 WeakPolarHBondContact O-CG 3.43Å
99K98.1Very high98.2Very high34 Ų3450.3 Ų50.315%0.14826%0.257CS..Iπ-helixtrans-124.2-59.5-172176179.2-178170.90112.3E65 N95 P102 E103E65-K99 IonicContact OE1-NZ 3.39Å; E65-K99 PolarHBondContact OE1-NZ 3.22Å; E65-K99 VanDerWaalsContact OE1-NZ 3.13Å; N95-K99 HydrophobicContact CB-CB 4.44Å; N95-K99 WeakPolarHBondContact O-CB 3.26Å; N95-K99 PolarHBondContact O-N 3.14Å; K99-P102 WeakPolarHBondContact O-CD 3.38Å; K99-E103 PolarHBondContact O-N 3.07Å
100W98.7Very high98Very high0 Ų054 Ų540%027%0.273CS..Iπ-helixtrans-73.2-43-166.1-65.7108.6000113.1V12 G13 D14 L83 N95 I96 E103 I104V12-W100 HydrophobicContact CB-CE3 3.93Å; V12-W100 HydrophobicContact CB-CZ3 4.06Å; V12-W100 HydrophobicContact CG2-CE3 4.32Å; G13-W100 VanDerWaalsContact CA-CE2 3.4Å; G13-W100 WeakPolarHBondContact O-CH2 3.29Å; G13-W100 WeakPolarHBondContact O-CZ2 3.36Å; D14-W100 WeakPolarHBondContact OD1-CZ2 3.4Å; D14-W100 PolarHBondContact OD1-NE1 3.42Å; L83-W100 HydrophobicContact CD1-CB 3.48Å; L83-W100 VanDerWaalsContact CD1-CB 3.48Å; L83-W100 HydrophobicContact CD1-CG 3.95Å; L83-W100 HydrophobicContact CD2-CB 4.49Å; N95-W100 VanDerWaalsContact O-CD1 3.27Å; N95-W100 PolarHBondContact O-N 3.39Å; I96-W100 PolarHBondContact O-N 2.85Å; W100-E103 PolarHBondContact O-N 2.86Å; W100-I104 WeakPolarHBondContact O-CB 3.19Å; W100-I104 WeakPolarHBondContact O-CD1 3.3Å; W100-I104 WeakPolarHBondContact O-CG1 3.31Å; W100-I104 PolarHBondContact O-N 3.06Å
101L98.7Very high97.9Very high31 Ų3154.4 Ų54.416%0.16228%0.276CS..Hα-helixtrans-63.5-48.2178.6179.571.8000112I96 E103 I104 R105 I113 I152I96-L101 WeakPolarHBondContact O-CB 3.39Å; I96-L101 PolarHBondContact O-N 3.36Å; L101-E103 VanDerWaalsContact C-N 3.3Å; L101-E103 PolarHBondContact O-N 3.31Å; L101-I104 PolarHBondContact O-N 3.46Å; L101-R105 HydrophobicContact CD1-CG 3.87Å; L101-R105 HydrophobicContact CG-CG 4.17Å; L101-R105 WeakPolarHBondContact O-CB 3.41Å; L101-R105 VanDerWaalsContact O-CG 3.28Å; L101-R105 WeakPolarHBondContact O-CG 3.18Å; L101-R105 PolarHBondContact O-N 3.09Å; L101-I113 HydrophobicContact CD1-CD1 3.83Å; L101-I152 HydrophobicContact CD1-CB 4.01Å; L101-I152 HydrophobicContact CD2-CB 3.79Å; L101-I152 HydrophobicContact CD2-CG2 3.63Å; L101-I152 HydrophobicContact CG-CB 4.48Å
102P98.5Very high97.9Very high67 Ų6751.6 Ų51.644%0.43526%0.262SS..Hα-helixtrans-53.4-45.2173.4-29.234.6000113.2P97 K99 R105 H106P97-P102 WeakPolarHBondContact O-CD 3.21Å; P97-P102 WeakPolarHBondContact O-CG 3.38Å; K99-P102 WeakPolarHBondContact O-CD 3.38Å; P102-R105 PolarHBondContact O-N 2.98Å; P102-H106 WeakPolarHBondContact O-CB 3.4Å; P102-H106 PolarHBondContact O-N 3.05Å
103E98.5Very high97.9Very high27 Ų2751.6 Ų51.613%0.12626%0.262CS..Hα-helixtrans-63.1-49.5178.5-173.9177.6139.600111.8R71 Y75 K99 W100 L101 R105 H106 F107R71-E103 WeakPolarHBondContact CD-OE1 3.33Å; R71-E103 IonicContact CZ-OE1 2.95Å; R71-E103 VanDerWaalsContact NH1-CD 3.3Å; R71-E103 IonicContact NH1-OE1 3.8Å; R71-E103 PolarHBondContact NH1-OE1 3.44Å; R71-E103 IonicContact NH1-OE2 2.75Å; R71-E103 PolarHBondContact NH1-OE2 3.01Å; Y75-E103 HydrophobicContact CE2-CG 4.02Å; Y75-E103 WeakPolarHBondContact CE2-OE1 3.38Å; Y75-E103 PolarHBondContact OH-OE1 2.96Å; K99-E103 PolarHBondContact O-N 3.07Å; W100-E103 PolarHBondContact O-N 2.86Å; L101-E103 VanDerWaalsContact C-N 3.3Å; L101-E103 PolarHBondContact O-N 3.31Å; E103-R105 VanDerWaalsContact C-N 3.34Å; E103-R105 PolarHBondContact O-N 3.43Å; E103-H106 WeakPolarHBondContact O-CB 3.21Å; E103-H106 PolarHBondContact O-N 3.45Å; E103-F107 HydrophobicContact CG-CD2 3.88Å; E103-F107 HydrophobicContact CG-CE2 3.97Å; E103-F107 VanDerWaalsContact O-CD2 3.31Å; E103-F107 WeakPolarHBondContact O-CD2 3.45Å; E103-F107 PolarHBondContact O-N 3.47Å; E103-F107 VanDerWaalsContact O-N 3.1Å
104I98.5Very high97.9Very high0 Ų050.4 Ų50.40%026%0.257CS..Hα-helixtrans-60.3-45.3178.5-66160.4000110.3V12 V81 L83 W100 L101 H106 F107 C108 I113V12-I104 HydrophobicContact CG2-CD1 3.65Å; V12-I104 HydrophobicContact CG2-CG1 3.97Å; V81-I104 HydrophobicContact CB-CG2 4.43Å; V81-I104 HydrophobicContact CG1-CD1 3.83Å; V81-I104 HydrophobicContact CG1-CG1 4.09Å; V81-I104 HydrophobicContact CG1-CG2 4.37Å; V81-I104 HydrophobicContact CG2-CG2 4.1Å; L83-I104 HydrophobicContact CB-CD1 4.17Å; L83-I104 HydrophobicContact CD1-CD1 3.98Å; L83-I104 HydrophobicContact CD2-CD1 3.8Å; L83-I104 HydrophobicContact CG-CD1 4.2Å; W100-I104 WeakPolarHBondContact O-CB 3.19Å; W100-I104 WeakPolarHBondContact O-CD1 3.3Å; W100-I104 WeakPolarHBondContact O-CG1 3.31Å; W100-I104 PolarHBondContact O-N 3.06Å; L101-I104 PolarHBondContact O-N 3.46Å; I104-H106 VanDerWaalsContact C-N 3.25Å; I104-H106 PolarHBondContact O-N 2.9Å; I104-F107 PolarHBondContact O-N 2.9Å; I104-C108 HydrophobicContact CG2-CB 4.13Å; I104-C108 CarbonylContact O-C 3.51Å; I104-C108 VanDerWaalsContact O-C 3.31Å; I104-C108 WeakPolarHBondContact O-CA 3.45Å; I104-C108 VanDerWaalsContact O-CB 3.24Å; I104-C108 WeakPolarHBondContact O-CB 3.43Å; I104-C108 PolarHBondContact O-N 2.71Å; I104-I113 HydrophobicContact CB-CD1 4.36Å; I104-I113 HydrophobicContact CD1-CD1 4.37Å; I104-I113 HydrophobicContact CG2-CD1 3.61Å; I104-I113 HydrophobicContact CG2-CG1 3.96Å
105R97.8Very high97.9Very high84 Ų8445.5 Ų45.532%0.31723%0.234SC..Hα-helixtrans-67.7-27.5-179.4-66.5-62.3-176-169.8-2.2112.3L101 P102 E103 P109 I152L101-R105 HydrophobicContact CD1-CG 3.87Å; L101-R105 HydrophobicContact CG-CG 4.17Å; L101-R105 WeakPolarHBondContact O-CB 3.41Å; L101-R105 VanDerWaalsContact O-CG 3.28Å; L101-R105 WeakPolarHBondContact O-CG 3.18Å; L101-R105 PolarHBondContact O-N 3.09Å; P102-R105 PolarHBondContact O-N 2.98Å; E103-R105 VanDerWaalsContact C-N 3.34Å; E103-R105 PolarHBondContact O-N 3.43Å; R105-P109 PolarHBondContact NH1-O 3.32Å; R105-P109 WeakPolarHBondContact O-CA 3.4Å; R105-P109 WeakPolarHBondContact O-CB 3.37Å; R105-I152 PolarHBondContact NH2-O 2.92Å
106H98Very high97.9Very high140 Ų14043.6 Ų43.665%0.64822%0.224SC*.Hα-helixtrans-69.2-48.8174-177.178.7000112.3P102 E103 I104P102-H106 WeakPolarHBondContact O-CB 3.4Å; P102-H106 PolarHBondContact O-N 3.05Å; E103-H106 WeakPolarHBondContact O-CB 3.21Å; E103-H106 PolarHBondContact O-N 3.45Å; I104-H106 VanDerWaalsContact C-N 3.25Å; I104-H106 PolarHBondContact O-N 2.9Å
107F98Very high97.9Very high92 Ų9243.6 Ų43.640%0.40422%0.224SC..Hα-helixtrans-93.2-24.3-173.8-66.4-72.1000114.6P72 Y75 E103 I104 P109P72-F107 HydrophobicContact CB-CD1 4.04Å; P72-F107 HydrophobicContact CB-CD2 4.16Å; P72-F107 HydrophobicContact CB-CE1 3.62Å; P72-F107 HydrophobicContact CB-CE2 3.75Å; P72-F107 HydrophobicContact CB-CG 4.31Å; P72-F107 HydrophobicContact CB-CZ 3.47Å; P72-F107 VanDerWaalsContact CB-CZ 3.47Å; P72-F107 HydrophobicContact CG-CD2 4.25Å; P72-F107 HydrophobicContact CG-CE1 4.2Å; P72-F107 HydrophobicContact CG-CE2 3.53Å; P72-F107 HydrophobicContact CG-CZ 3.5Å; Y75-F107 HydrophobicContact CD2-CB 3.26Å; Y75-F107 HydrophobicContact CD2-CD1 4.29Å; Y75-F107 AromaticContact CD2-CD2 3.54Å; Y75-F107 HydrophobicContact CD2-CD2 3.54Å; Y75-F107 HydrophobicContact CD2-CE2 4.45Å; Y75-F107 AromaticContact CD2-CG 3.45Å; Y75-F107 HydrophobicContact CD2-CG 3.45Å; Y75-F107 VanDerWaalsContact CD2-CG 3.45Å; Y75-F107 HydrophobicContact CE2-CB 4.04Å; Y75-F107 AromaticContact CE2-CD2 3.58Å; Y75-F107 HydrophobicContact CE2-CD2 3.58Å; Y75-F107 HydrophobicContact CE2-CE2 4.32Å; Y75-F107 HydrophobicContact CE2-CG 4.01Å; Y75-F107 HydrophobicContact CG-CB 3.88Å; Y75-F107 HydrophobicContact CG-CG 4.46Å; E103-F107 HydrophobicContact CG-CD2 3.88Å; E103-F107 HydrophobicContact CG-CE2 3.97Å; E103-F107 VanDerWaalsContact O-CD2 3.31Å; E103-F107 WeakPolarHBondContact O-CD2 3.45Å; E103-F107 PolarHBondContact O-N 3.47Å; E103-F107 VanDerWaalsContact O-N 3.1Å; I104-F107 PolarHBondContact O-N 2.9Å; F107-P109 VanDerWaalsContact C-CD 3.49Å
108C97.1Very high98Very high4 Ų441.1 Ų41.13%0.02721%0.207CC..  trans-132.752.3-172.9-670000111.6V81 I104 D110 V111V81-C108 HydrophobicContact CG2-CB 4.37Å; I104-C108 HydrophobicContact CG2-CB 4.13Å; I104-C108 CarbonylContact O-C 3.51Å; I104-C108 VanDerWaalsContact O-C 3.31Å; I104-C108 WeakPolarHBondContact O-CA 3.45Å; I104-C108 VanDerWaalsContact O-CB 3.24Å; I104-C108 WeakPolarHBondContact O-CB 3.43Å; I104-C108 PolarHBondContact O-N 2.71Å; C108-D110 VanDerWaalsContact C-N 3.33Å; C108-D110 PolarHBondContact O-N 2.83Å; C108-V111 HydrophobicContact CB-CB 3.84Å; C108-V111 HydrophobicContact CB-CG2 3.64Å; C108-V111 PolarHBondContact O-N 2.89Å; C108-V111 VanDerWaalsContact O-N 3.11Å
109P95Very high98Very high76 Ų7636.6 Ų36.649%0.49419%0.186SC..THydrogen-bonded Turntrans-56.6-40.9-166.620.6-33.6000114.6R105 F107R105-P109 PolarHBondContact NH1-O 3.32Å; R105-P109 WeakPolarHBondContact O-CA 3.4Å; R105-P109 WeakPolarHBondContact O-CB 3.37Å; F107-P109 VanDerWaalsContact C-CD 3.49Å
110D92.8Very high98.1Very high117 Ų11738 Ų3863%0.62619%0.192SC*.THydrogen-bonded Turntrans-99.64.6-176-73.5-15.8000112.9C108 K185C108-D110 VanDerWaalsContact C-N 3.33Å; C108-D110 PolarHBondContact O-N 2.83Å; D110-K185 IonicContact OD2-NZ 2.92Å; D110-K185 PolarHBondContact OD2-NZ 2.85Å
111V97.8Very high98Very high21 Ų2140.1 Ų40.113%0.12720%0.203CC..SBendtrans-84.4132.3-175.5-177.30000109.8T78 V81 C108T78-V111 HydrophobicContact CG2-CG1 4.03Å; V81-V111 HydrophobicContact CG2-CG1 3.95Å; C108-V111 HydrophobicContact CB-CB 3.84Å; C108-V111 HydrophobicContact CB-CG2 3.64Å; C108-V111 PolarHBondContact O-N 2.89Å; C108-V111 VanDerWaalsContact O-N 3.11Å
112P98.5Very high98Very high25 Ų2540 Ų4016%0.16220%0.203CC..  trans-64.6140.1176.426.2-34000111.3D79 V80 V81 Y155 A178D79-P112 WeakPolarHBondContact O-CD 3.4Å; V80-P112 HydrophobicContact CB-CG 4.36Å; V80-P112 HydrophobicContact CG2-CG 4.28Å; V80-P112 WeakPolarHBondContact CG2-O 3.34Å; V81-P112 PolarHBondContact N-O 2.55Å; P112-Y155 HydrophobicContact CB-CD2 4.48Å; P112-Y155 HydrophobicContact CB-CG 4.45Å; P112-A178 HydrophobicContact CB-CB 3.97Å; P112-A178 HydrophobicContact CG-CB 3.93Å
113I98.8Very high98Very high1 Ų138.6 Ų38.61%0.00519%0.189CC..EExtended strand (participates in β ladder)trans-108.8129177.9-58.3174.7000108.3V81 L83 L101 I104 A154 Y155V81-I113 HydrophobicContact CB-CG1 4.44Å; V81-I113 CarbonylContact O-C 3.4Å; V81-I113 WeakPolarHBondContact O-CA 3.28Å; L83-I113 HydrophobicContact CB-CG2 3.67Å; L83-I113 HydrophobicContact CD2-CG2 4.15Å; L101-I113 HydrophobicContact CD1-CD1 3.83Å; I104-I113 HydrophobicContact CB-CD1 4.36Å; I104-I113 HydrophobicContact CD1-CD1 4.37Å; I104-I113 HydrophobicContact CG2-CD1 3.61Å; I104-I113 HydrophobicContact CG2-CG1 3.96Å; I113-A154 CarbonylContact O-C 3.59Å; I113-A154 WeakPolarHBondContact O-CA 3.37Å; I113-Y155 WeakPolarHBondContact O-CB 3.41Å; I113-Y155 PolarHBondContact O-N 3.02Å
114V98.9Very high98Very high0 Ų044.1 Ų44.10%021%0.214CC..EExtended strand (participates in β ladder)trans-103.6118164.5177.60000107.7V80 V81 L82 L83 V116 Y155 A156 F158 A175V80-V114 HydrophobicContact CG2-CG2 4.32Å; V81-V114 PolarHBondContact O-N 3.38Å; L82-V114 HydrophobicContact CD1-CB 4.14Å; L82-V114 HydrophobicContact CD1-CG1 4.21Å; L83-V114 PolarHBondContact N-O 2.83Å; V114-V116 HydrophobicContact CG1-CG2 4.17Å; V114-Y155 HydrophobicContact CG2-CD1 4.31Å; V114-A156 WeakPolarHBondContact CA-O 3.32Å; V114-A156 HydrophobicContact CG1-CB 4.47Å; V114-F158 HydrophobicContact CG1-CD2 4.4Å; V114-A175 HydrophobicContact CG2-CB 4.2Å
115L99Very high98Very high0 Ų047.2 Ų47.20%023%0.231CC..EExtended strand (participates in β ladder)trans-81.9133.7176-17567000109.5L83 Y85 I96 M148 A149 I152 A154 A156 F157 F158L83-L115 HydrophobicContact CB-CD1 4.39Å; L83-L115 HydrophobicContact CD2-CD1 4.22Å; L83-L115 HydrophobicContact CG-CD1 3.97Å; L83-L115 CarbonylContact O-C 3.51Å; L83-L115 WeakPolarHBondContact O-CA 3.06Å; Y85-L115 HydrophobicContact CD1-CD1 4.06Å; Y85-L115 HydrophobicContact CD1-CG 4.38Å; Y85-L115 HydrophobicContact CE1-CD1 4.33Å; Y85-L115 HydrophobicContact CE1-CD2 4.33Å; Y85-L115 HydrophobicContact CE1-CG 4.16Å; I96-L115 HydrophobicContact CD1-CD1 4.1Å; I96-L115 HydrophobicContact CG1-CD1 4.36Å; I96-L115 HydrophobicContact CG2-CD1 4.25Å; L115-M148 HydrophobicContact CD2-CB 3.97Å; L115-M148 HydrophobicContact CD2-CG 3.8Å; L115-A149 HydrophobicContact CB-CB 4.4Å; L115-A149 HydrophobicContact CD2-CB 3.89Å; L115-I152 HydrophobicContact CB-CD1 4.38Å; L115-I152 HydrophobicContact CD1-CD1 4.16Å; L115-I152 HydrophobicContact CD2-CD1 4.3Å; L115-A154 HydrophobicContact CB-CB 4.22Å; L115-A156 PolarHBondContact N-O 3.42Å; L115-F157 HydrophobicContact CB-CD2 4.15Å; L115-F157 HydrophobicContact CD2-CD2 4.05Å; L115-F157 HydrophobicContact CD2-CE2 4.48Å; L115-F157 HydrophobicContact CG-CD2 4.05Å; L115-F157 WeakPolarHBondContact O-CA 3.42Å; L115-F158 PolarHBondContact O-N 3.17Å; L115-F158 VanDerWaalsContact O-N 3.16Å
116V99Very high98Very high0 Ų048.4 Ų48.40%024%0.24CC..EExtended strand (participates in β ladder)trans-128.6118.1-177.5-177.30000110.9L22 L82 L83 C84 Y85 V114 N118 F158 C160 V171L22-V116 HydrophobicContact CD2-CG1 4.13Å; L82-V116 HydrophobicContact CD1-CG2 3.74Å; L82-V116 HydrophobicContact CD2-CB 4.48Å; L82-V116 HydrophobicContact CD2-CG2 3.86Å; L82-V116 HydrophobicContact CG-CG2 3.66Å; L83-V116 PolarHBondContact O-N 3.16Å; C84-V116 WeakPolarHBondContact CA-O 3.45Å; Y85-V116 WeakPolarHBondContact CD1-O 3.42Å; Y85-V116 PolarHBondContact N-O 3.46Å; V114-V116 HydrophobicContact CG1-CG2 4.17Å; V116-N118 HydrophobicContact CG1-CB 4.49Å; V116-F158 WeakPolarHBondContact CA-O 3.45Å; V116-C160 VanDerWaalsContact CG1-SG 3.52Å; V116-V171 HydrophobicContact CG1-CG2 4.21Å; V116-V171 HydrophobicContact CG2-CG1 3.72Å; V116-V171 HydrophobicContact CG2-CG2 4.24Å
117G98.9Very high98Very high0 Ų045 Ų450%024%0.235CC..EExtended strand (participates in β ladder)trans-87.597.4165.600000110.3Y85 I87 F158 E159 C160Y85-G117 VanDerWaalsContact CE1-CA 3.41Å; I87-G117 WeakPolarHBondContact CD1-O 3.13Å; G117-F158 PolarHBondContact N-O 2.77Å; G117-E159 CarbonylContact O-C 3.51Å; G117-E159 WeakPolarHBondContact O-CA 3.17Å; G117-C160 PolarHBondContact O-N 3.44Å
118N98.9Very high98Very high2 Ų241.6 Ų41.61%0.01122%0.222CC..EExtended strand (participates in β ladder)trans-88.1170.4-177.8-167.827.2000112.2C17 G18 Y85 I87 V116 K120 C160 A162C17-N118 PolarHBondContact O-ND2 3.2Å; G18-N118 PolarHBondContact O-ND2 2.9Å; Y85-N118 PolarHBondContact O-N 3.21Å; I87-N118 WeakPolarHBondContact CB-O 3.25Å; I87-N118 WeakPolarHBondContact CG1-O 3.25Å; I87-N118 PolarHBondContact N-O 2.88Å; V116-N118 HydrophobicContact CG1-CB 4.49Å; N118-K120 VanDerWaalsContact C-N 3.32Å; N118-K120 PolarHBondContact O-N 3.5Å; N118-C160 CarbonylContact C-O 3.57Å; N118-C160 WeakPolarHBondContact CA-O 3.19Å; N118-C160 PolarHBondContact OD1-O 2.95Å; N118-C160 PolarHBondContact OD1-SG 2.93Å; N118-A162 PolarHBondContact OD1-N 3.16Å
119K98.7Very high98.1Very high48 Ų4843.7 Ų43.721%0.20923%0.231CC..  trans58.640.3-177.2-48.7-165.6-153.3147.20113.2A16 S86 D88 D121 L122 C160A16-K119 WeakPolarHBondContact O-CE 3.41Å; A16-K119 PolarHBondContact O-NZ 2.99Å; S86-K119 WeakPolarHBondContact OG-CD 3.31Å; S86-K119 WeakPolarHBondContact OG-CE 3.35Å; S86-K119 WeakPolarHBondContact OG-CG 3.16Å; S86-K119 PolarHBondContact OG-NZ 2.89Å; D88-K119 WeakPolarHBondContact OD1-CD 3.43Å; D88-K119 IonicContact OD1-NZ 3.13Å; D88-K119 PolarHBondContact OD1-NZ 3.27Å; D88-K119 IonicContact OD2-NZ 3.09Å; D88-K119 PolarHBondContact OD2-NZ 3.02Å; D88-K119 VanDerWaalsContact OD2-NZ 3.09Å; K119-D121 PolarHBondContact O-N 2.95Å; K119-D121 VanDerWaalsContact O-N 3.09Å; K119-L122 HydrophobicContact CB-CD1 3.96Å; K119-L122 HydrophobicContact CB-CG 4.25Å; K119-L122 HydrophobicContact CD-CD1 3.76Å; K119-L122 WeakPolarHBondContact O-CB 3.45Å; K119-L122 PolarHBondContact O-N 3.37Å; K119-C160 PolarHBondContact N-O 2.85Å
120K98.9Very high98.2Very high62 Ų6244.7 Ų44.727%0.2723%0.232SC..G310 helixtrans-52.3-31.2176.2-171.7-174.9-178.7-171.10113.6I87 N118 L122 R123 E159 C160 E166I87-K120 HydrophobicContact CD1-CB 3.87Å; I87-K120 HydrophobicContact CD1-CG 4.25Å; N118-K120 VanDerWaalsContact C-N 3.32Å; N118-K120 PolarHBondContact O-N 3.5Å; K120-L122 PolarHBondContact O-N 3.43Å; K120-L122 VanDerWaalsContact O-N 3.13Å; K120-R123 PolarHBondContact O-N 2.92Å; K120-E159 HydrophobicContact CD-CB 3.96Å; K120-E159 HydrophobicContact CG-CB 4.34Å; K120-C160 VanDerWaalsContact CB-O 3.3Å; K120-C160 WeakPolarHBondContact CB-O 2.94Å; K120-C160 PolarHBondContact N-O 3.1Å; K120-E166 IonicContact NZ-OE1 2.63Å; K120-E166 PolarHBondContact NZ-OE1 3.28Å
121D98.6Very high98.5Very high46 Ų4644.1 Ų44.125%0.24623%0.226CC..G310 helixtrans-59.5-21.6176.259.8-71.7000113.7K119 S161 K163 T164K119-D121 PolarHBondContact O-N 2.95Å; K119-D121 VanDerWaalsContact O-N 3.09Å; D121-S161 VanDerWaalsContact CG-OG 3.28Å; D121-S161 VanDerWaalsContact OD1-CB 3.25Å; D121-S161 WeakPolarHBondContact OD1-CB 3.42Å; D121-S161 PolarHBondContact OD1-OG 2.93Å; D121-K163 WeakPolarHBondContact OD2-CD 3.4Å; D121-K163 IonicContact OD2-NZ 3.2Å; D121-T164 HydrophobicContact CB-CG2 3.91Å
122L98.7Very high98.5Very high29 Ų2943.9 Ų43.915%0.15222%0.224CC..G310 helixtrans-90.5-8.2-178.8-59.7-178.3000114.2D88 K119 K120 H124 D125 T128D88-L122 HydrophobicContact CB-CB 3.98Å; D88-L122 HydrophobicContact CB-CD1 3.84Å; D88-L122 VanDerWaalsContact OD2-CD1 3.24Å; D88-L122 WeakPolarHBondContact OD2-CD1 3.49Å; K119-L122 HydrophobicContact CB-CD1 3.96Å; K119-L122 HydrophobicContact CB-CG 4.25Å; K119-L122 HydrophobicContact CD-CD1 3.76Å; K119-L122 WeakPolarHBondContact O-CB 3.45Å; K119-L122 PolarHBondContact O-N 3.37Å; K120-L122 PolarHBondContact O-N 3.43Å; K120-L122 VanDerWaalsContact O-N 3.13Å; L122-H124 PolarHBondContact O-N 3.23Å; L122-D125 HydrophobicContact CD2-CB 4.15Å; L122-D125 PolarHBondContact O-N 3.43Å; L122-T128 HydrophobicContact CB-CG2 4.25Å
123R98.4Very high98.4Very high37 Ų3747.8 Ų47.814%0.1424%0.24CC..THydrogen-bonded Turntrans-56.8-39179.4179.2175.7-72.2143.46.3112.7I87 K120 K129 P139 V140 E159I87-R123 HydrophobicContact CG2-CB 3.91Å; I87-R123 HydrophobicContact CG2-CG 4.48Å; K120-R123 PolarHBondContact O-N 2.92Å; R123-K129 WeakPolarHBondContact O-CE 3.16Å; R123-P139 HydrophobicContact CG-CB 4.38Å; R123-V140 PolarHBondContact NE-O 3.46Å; R123-V140 PolarHBondContact NH2-O 3.13Å; R123-E159 IonicContact CZ-OE1 2.78Å; R123-E159 IonicContact CZ-OE2 3.73Å; R123-E159 VanDerWaalsContact CZ-OE2 3.25Å; R123-E159 IonicContact NH1-OE1 2.67Å; R123-E159 IonicContact NH1-OE2 3.04Å; R123-E159 PolarHBondContact NH1-OE2 2.67Å; R123-E159 IonicContact NH2-OE1 3.27Å; R123-E159 PolarHBondContact NH2-OE1 2.7Å; R123-E159 IonicContact NH2-OE2 3.92Å; R123-E159 PolarHBondContact NH2-OE2 3.09Å
124H97.7Very high98.3Very high142 Ų14256.8 Ų56.866%0.65727%0.273SS*.THydrogen-bonded Turntrans-107.85.9-176.9-58.7-52.5000112.8L122 E126L122-H124 PolarHBondContact O-N 3.23Å; H124-E126 PolarHBondContact O-N 3.42Å
125D98.4Very high98.2Very high65 Ų6560.7 Ų60.735%0.34830%0.298SS..  trans-71.7125.2176.5-178.178.9000110.5L122 A127 T128 K129L122-D125 HydrophobicContact CD2-CB 4.15Å; L122-D125 PolarHBondContact O-N 3.43Å; D125-A127 VanDerWaalsContact C-N 3.34Å; D125-A127 PolarHBondContact O-N 3.04Å; D125-A127 WeakPolarHBondContact OD2-CA 3.36Å; D125-A127 WeakPolarHBondContact OD2-CB 3.46Å; D125-A127 PolarHBondContact OD2-N 3.36Å; D125-T128 PolarHBondContact O-N 3.47Å; D125-T128 PolarHBondContact OD2-N 2.82Å; D125-T128 PolarHBondContact OD2-OG1 2.82Å; D125-K129 WeakPolarHBondContact O-CG 3.3Å; D125-K129 PolarHBondContact O-N 3.31Å
126E98Very high98.1Very high110 Ų11070.2 Ų70.251%0.51434%0.339SS..Hα-helixtrans-69.1-32.5-175.1-67.5-57.4130.300112.1H124 K129 N130H124-E126 PolarHBondContact O-N 3.42Å; E126-K129 IonicContact OE1-NZ 3.54Å; E126-K129 PolarHBondContact OE1-NZ 3.07Å; E126-N130 VanDerWaalsContact O-CB 3.26Å; E126-N130 WeakPolarHBondContact O-CB 3.26Å; E126-N130 PolarHBondContact O-N 3.47Å; E126-N130 PolarHBondContact O-ND2 2.98Å
127A98.2Very high98Very high67 Ų6772.3 Ų72.355%0.55435%0.349SS*.Hα-helixtrans-68.6-43.6176.500000110.8D125 N130 E131D125-A127 VanDerWaalsContact C-N 3.34Å; D125-A127 PolarHBondContact O-N 3.04Å; D125-A127 WeakPolarHBondContact OD2-CA 3.36Å; D125-A127 WeakPolarHBondContact OD2-CB 3.46Å; D125-A127 PolarHBondContact OD2-N 3.36Å; A127-N130 PolarHBondContact O-N 2.96Å; A127-E131 PolarHBondContact O-N 2.96Å
128T98.3Very high98Very high21 Ų2177.5 Ų77.513%0.12938%0.376CS..Hα-helixtrans-58.3-49.1172.9-67.30000111.9D88 L122 D125 N130 E131 L132 P139D88-T128 HydrophobicContact CB-CG2 3.57Å; L122-T128 HydrophobicContact CB-CG2 4.25Å; D125-T128 PolarHBondContact O-N 3.47Å; D125-T128 PolarHBondContact OD2-N 2.82Å; D125-T128 PolarHBondContact OD2-OG1 2.82Å; T128-N130 VanDerWaalsContact C-N 3.35Å; T128-N130 PolarHBondContact O-N 2.99Å; T128-E131 PolarHBondContact O-N 2.71Å; T128-L132 HydrophobicContact CG2-CD1 3.93Å; T128-L132 WeakPolarHBondContact O-CG 3.45Å; T128-L132 PolarHBondContact O-N 2.63Å; T128-P139 HydrophobicContact CG2-CG 4.46Å
129K98.5Very high98Very high48 Ų4878.1 Ų78.121%0.20938%0.38CS..Hα-helixtrans-60.2-45.2177.4-71.5176.5-167160.90111.9R123 D125 E126 E131 L132 H133 P139R123-K129 WeakPolarHBondContact O-CE 3.16Å; D125-K129 WeakPolarHBondContact O-CG 3.3Å; D125-K129 PolarHBondContact O-N 3.31Å; E126-K129 IonicContact OE1-NZ 3.54Å; E126-K129 PolarHBondContact OE1-NZ 3.07Å; K129-E131 VanDerWaalsContact C-N 3.32Å; K129-E131 PolarHBondContact O-N 2.92Å; K129-L132 PolarHBondContact O-N 3.37Å; K129-H133 WeakPolarHBondContact O-CB 3.28Å; K129-H133 PolarHBondContact O-CD2 3.4Å; K129-H133 PolarHBondContact O-N 3.27Å; K129-P139 HydrophobicContact CG-CG 4.2Å
130N98.1Very high98Very high98 Ų9876 Ų7652%0.52437%0.371SS..Hα-helixtrans-61.5-41-180-75.7-34.1000111.7E126 A127 T128 H133 R134E126-N130 VanDerWaalsContact O-CB 3.26Å; E126-N130 WeakPolarHBondContact O-CB 3.26Å; E126-N130 PolarHBondContact O-N 3.47Å; E126-N130 PolarHBondContact O-ND2 2.98Å; A127-N130 PolarHBondContact O-N 2.96Å; T128-N130 VanDerWaalsContact C-N 3.35Å; T128-N130 PolarHBondContact O-N 2.99Å; N130-H133 PolarHBondContact O-N 3.04Å; N130-R134 WeakPolarHBondContact O-CG 3.26Å; N130-R134 PolarHBondContact O-N 2.93Å
131E97.5Very high98Very high105 Ų10576 Ų7649%0.49138%0.376SS..Hα-helixtrans-66.3-47176.9-173.358.6-159.900111.6A127 T128 K129 H133 R134A127-E131 PolarHBondContact O-N 2.96Å; T128-E131 PolarHBondContact O-N 2.71Å; K129-E131 VanDerWaalsContact C-N 3.32Å; K129-E131 PolarHBondContact O-N 2.92Å; E131-H133 VanDerWaalsContact C-N 3.29Å; E131-H133 PolarHBondContact O-N 3.02Å; E131-R134 VanDerWaalsContact O-CB 3.28Å; E131-R134 WeakPolarHBondContact O-CB 3.49Å; E131-R134 PolarHBondContact O-N 3.37Å; E131-R134 IonicContact OE1-NH1 3.62Å; E131-R134 VanDerWaalsContact OE2-CD 3.29Å; E131-R134 WeakPolarHBondContact OE2-CD 3.29Å; E131-R134 IonicContact OE2-CZ 3.82Å; E131-R134 IonicContact OE2-NE 3.98Å; E131-R134 IonicContact OE2-NH1 2.86Å; E131-R134 PolarHBondContact OE2-NH1 2.86Å
132L98.3Very high98Very high15 Ų1578.4 Ų78.48%0.07939%0.385CS..Hα-helixtrans-62.7-34.6176.9-71171.1000112.5P90 T128 K129 R134 T135 K136 Q137 P139P90-L132 HydrophobicContact CG-CD2 4.26Å; T128-L132 HydrophobicContact CG2-CD1 3.93Å; T128-L132 WeakPolarHBondContact O-CG 3.45Å; T128-L132 PolarHBondContact O-N 2.63Å; K129-L132 PolarHBondContact O-N 3.37Å; L132-R134 PolarHBondContact O-N 2.54Å; L132-T135 CarbonylContact O-C 3.42Å; L132-T135 PolarHBondContact O-N 2.82Å; L132-T135 PolarHBondContact O-OG1 3.25Å; L132-K136 PolarHBondContact O-N 3.42Å; L132-K136 VanDerWaalsContact O-N 3.08Å; L132-Q137 CarbonylContact C-O 3.59Å; L132-Q137 HydrophobicContact CB-CB 4.14Å; L132-Q137 WeakPolarHBondContact CB-O 3.37Å; L132-Q137 HydrophobicContact CD2-CB 3.97Å; L132-Q137 PolarHBondContact O-N 3.46Å; L132-P139 HydrophobicContact CD1-CB 4.37Å; L132-P139 HydrophobicContact CD1-CG 3.78Å
133H97.2Very high98Very high107 Ų10782.1 Ų82.150%0.49541%0.405SS..Hα-helixtrans-61.5-28.4174.5-83.8-55.4000112.9K129 N130 E131 T135 K136 L138K129-H133 WeakPolarHBondContact O-CB 3.28Å; K129-H133 PolarHBondContact O-CD2 3.4Å; K129-H133 PolarHBondContact O-N 3.27Å; N130-H133 PolarHBondContact O-N 3.04Å; E131-H133 VanDerWaalsContact C-N 3.29Å; E131-H133 PolarHBondContact O-N 3.02Å; H133-T135 PolarHBondContact O-N 2.56Å; H133-K136 PolarHBondContact O-N 3.08Å; H133-K136 VanDerWaalsContact O-N 3.09Å; H133-L138 VanDerWaalsContact CE1-CD2 3.45Å; H133-L138 WeakPolarHBondContact CE1-CD2 3.22Å
134R96.6Very high98Very high190 Ų19084.2 Ų84.272%0.71742%0.416SS*.Hα-helixtrans-65.9-28.4175.7-60.5170.576.8-168.11.3111.9N130 E131 L132N130-R134 WeakPolarHBondContact O-CG 3.26Å; N130-R134 PolarHBondContact O-N 2.93Å; E131-R134 VanDerWaalsContact O-CB 3.28Å; E131-R134 WeakPolarHBondContact O-CB 3.49Å; E131-R134 PolarHBondContact O-N 3.37Å; E131-R134 IonicContact OE1-NH1 3.62Å; E131-R134 VanDerWaalsContact OE2-CD 3.29Å; E131-R134 WeakPolarHBondContact OE2-CD 3.29Å; E131-R134 IonicContact OE2-CZ 3.82Å; E131-R134 IonicContact OE2-NE 3.98Å; E131-R134 IonicContact OE2-NH1 2.86Å; E131-R134 PolarHBondContact OE2-NH1 2.86Å; L132-R134 PolarHBondContact O-N 2.54Å
135T95.5Very high98.1Very high83 Ų8377.5 Ų77.551%0.50939%0.385SS..THydrogen-bonded Turntrans-100.811.8173.756.50000113L132 H133 Q137L132-T135 CarbonylContact O-C 3.42Å; L132-T135 PolarHBondContact O-N 2.82Å; L132-T135 PolarHBondContact O-OG1 3.25Å; H133-T135 PolarHBondContact O-N 2.56Å; T135-Q137 PolarHBondContact O-N 3.43Å; T135-Q137 PolarHBondContact OG1-OE1 2.93Å
136K97.2Very high98.1Very high200 Ų20079 Ų7987%0.8739%0.389SS*.THydrogen-bonded Turntrans58.528.1-177.5-54.3178.7-178.8176.10114L132 H133L132-K136 PolarHBondContact O-N 3.42Å; L132-K136 VanDerWaalsContact O-N 3.08Å; H133-K136 PolarHBondContact O-N 3.08Å; H133-K136 VanDerWaalsContact O-N 3.09Å
137Q98.1Very high98.1Very high44 Ų4479.2 Ų79.221%0.20639%0.39CS..  trans-104.4167.4177.8-76.7175.2-44.700110.9P90 D91 L132 T135P90-Q137 HydrophobicContact CG-CB 4.13Å; P90-Q137 HydrophobicContact CG-CG 4.41Å; D91-Q137 PolarHBondContact OD1-NE2 2.93Å; L132-Q137 CarbonylContact C-O 3.59Å; L132-Q137 HydrophobicContact CB-CB 4.14Å; L132-Q137 WeakPolarHBondContact CB-O 3.37Å; L132-Q137 HydrophobicContact CD2-CB 3.97Å; L132-Q137 PolarHBondContact O-N 3.46Å; T135-Q137 PolarHBondContact O-N 3.43Å; T135-Q137 PolarHBondContact OG1-OE1 2.93Å
138L98.1Very high98.2Very high109 Ų10977 Ų7757%0.57137%0.368SS*.  trans-134.6155.6173.7-72.3174.8000109.4P90 H133P90-L138 WeakPolarHBondContact CG-O 3.22Å; H133-L138 VanDerWaalsContact CE1-CD2 3.45Å; H133-L138 WeakPolarHBondContact CE1-CD2 3.22Å
139P98.7Very high98.2Very high15 Ų1576.4 Ų76.410%0.09737%0.365CS..PPolyproline II helixtrans-58.1140.9171.5-22.132.2000111.4I87 R123 T128 K129 L132 T141I87-P139 HydrophobicContact CG2-CB 4.07Å; I87-P139 CarbonylContact O-C 3.34Å; I87-P139 VanDerWaalsContact O-CA 3.23Å; I87-P139 WeakPolarHBondContact O-CA 3.25Å; R123-P139 HydrophobicContact CG-CB 4.38Å; T128-P139 HydrophobicContact CG2-CG 4.46Å; K129-P139 HydrophobicContact CG-CG 4.2Å; L132-P139 HydrophobicContact CD1-CB 4.37Å; L132-P139 HydrophobicContact CD1-CG 3.78Å; P139-T141 PolarHBondContact O-N 3.42Å
140V98.8Very high98.2Very high3 Ų380.1 Ų80.12%0.01838%0.383CS..PPolyproline II helixtrans-62.1128.6-180-1760000110.1Y85 I87 P90 F93 R123 E144Y85-V140 HydrophobicContact CD2-CG2 4.47Å; Y85-V140 HydrophobicContact CE2-CB 3.93Å; Y85-V140 HydrophobicContact CE2-CG1 3.75Å; Y85-V140 HydrophobicContact CE2-CG2 4.25Å; I87-V140 WeakPolarHBondContact CG2-O 3.16Å; I87-V140 PolarHBondContact O-N 3.28Å; P90-V140 HydrophobicContact CG-CG2 4.45Å; F93-V140 HydrophobicContact CB-CG2 3.78Å; F93-V140 HydrophobicContact CD1-CG1 4.22Å; F93-V140 HydrophobicContact CD1-CG2 4.3Å; F93-V140 HydrophobicContact CD2-CG1 3.93Å; F93-V140 HydrophobicContact CE1-CG1 4.38Å; F93-V140 HydrophobicContact CE2-CG1 4.09Å; F93-V140 HydrophobicContact CG-CG1 3.98Å; F93-V140 HydrophobicContact CG-CG2 4.01Å; F93-V140 HydrophobicContact CZ-CG1 4.31Å; R123-V140 PolarHBondContact NE-O 3.46Å; R123-V140 PolarHBondContact NH2-O 3.13Å; V140-E144 HydrophobicContact CG1-CB 3.95Å
141T98.8Very high98.2Very high62 Ų6281.8 Ų81.838%0.3839%0.392SS..PPolyproline II helixtrans-79.3159.8179.868.70000111.5P139 N143 E144 G145P139-T141 PolarHBondContact O-N 3.42Å; T141-N143 VanDerWaalsContact C-N 3.25Å; T141-N143 PolarHBondContact O-N 2.87Å; T141-E144 VanDerWaalsContact CB-OE2 3.29Å; T141-E144 WeakPolarHBondContact CB-OE2 3.41Å; T141-E144 WeakPolarHBondContact CG2-OE2 3.39Å; T141-E144 PolarHBondContact N-OE2 3.5Å; T141-E144 PolarHBondContact O-N 2.55Å; T141-E144 VanDerWaalsContact OG1-CD 3.3Å; T141-E144 VanDerWaalsContact OG1-CG 3.28Å; T141-E144 WeakPolarHBondContact OG1-CG 3.47Å; T141-E144 PolarHBondContact OG1-N 3Å; T141-E144 PolarHBondContact OG1-OE2 3.1Å; T141-G145 PolarHBondContact O-N 2.74Å; T141-G145 VanDerWaalsContact O-N 3.12Å
142F98.8Very high98.3Very high96 Ų9677.2 Ų77.242%0.42137%0.371SS..Hα-helixtrans-60.1-37.6174.8179.6-90.2000112.4G145 K146 F157 E159F142-G145 PolarHBondContact O-N 2.63Å; F142-K146 HydrophobicContact CE1-CB 4.46Å; F142-K146 HydrophobicContact CE1-CD 4.25Å; F142-K146 WeakPolarHBondContact O-CB 3.39Å; F142-K146 PolarHBondContact O-N 3.49Å; F142-F157 AromaticContact CD2-CE1 3.96Å; F142-F157 HydrophobicContact CD2-CE1 3.96Å; F142-F157 HydrophobicContact CE2-CD1 4.38Å; F142-F157 AromaticContact CE2-CE1 3.76Å; F142-F157 HydrophobicContact CE2-CE1 3.76Å; F142-F157 HydrophobicContact CZ-CE1 4.18Å; F142-E159 VanDerWaalsContact CA-OE1 3.26Å; F142-E159 WeakPolarHBondContact CA-OE1 3.3Å; F142-E159 HydrophobicContact CD2-CG 4.11Å
143N98.9Very high98.2Very high107 Ų10782.7 Ų82.757%0.57240%0.4SS*.Hα-helixtrans-68.8-42.1-179.1-71.2-14.6000111.4T141 G145 K146 E147T141-N143 VanDerWaalsContact C-N 3.25Å; T141-N143 PolarHBondContact O-N 2.87Å; N143-G145 PolarHBondContact O-N 3.38Å; N143-K146 PolarHBondContact O-N 2.7Å; N143-E147 WeakPolarHBondContact O-CB 2.98Å; N143-E147 WeakPolarHBondContact O-CG 3.21Å; N143-E147 PolarHBondContact O-N 3.46Å
144E98.9Very high98.3Very high82 Ų8278.4 Ų78.438%0.38338%0.384SS..Hα-helixtrans-60.1-45.4174-72162.5135.900111.4F93 V140 T141 K146 E147 M148F93-E144 HydrophobicContact CE1-CB 4.23Å; F93-E144 HydrophobicContact CZ-CB 3.91Å; F93-E144 WeakPolarHBondContact CZ-O 3.41Å; V140-E144 HydrophobicContact CG1-CB 3.95Å; T141-E144 VanDerWaalsContact CB-OE2 3.29Å; T141-E144 WeakPolarHBondContact CB-OE2 3.41Å; T141-E144 WeakPolarHBondContact CG2-OE2 3.39Å; T141-E144 PolarHBondContact N-OE2 3.5Å; T141-E144 PolarHBondContact O-N 2.55Å; T141-E144 VanDerWaalsContact OG1-CD 3.3Å; T141-E144 VanDerWaalsContact OG1-CG 3.28Å; T141-E144 WeakPolarHBondContact OG1-CG 3.47Å; T141-E144 PolarHBondContact OG1-N 3Å; T141-E144 PolarHBondContact OG1-OE2 3.1Å; E144-K146 VanDerWaalsContact C-N 3.33Å; E144-K146 PolarHBondContact O-N 3.23Å; E144-E147 PolarHBondContact O-N 3.39Å; E144-M148 WeakPolarHBondContact O-CB 3.43Å; E144-M148 PolarHBondContact O-N 2.98Å
145G98.9Very high98.4Very high0 Ų074.3 Ų74.30%037%0.369CS..Hα-helixtrans-59.4-42.1175.300000113.1Y85 T141 F142 N143 M148 A149Y85-G145 WeakPolarHBondContact OH-CA 3.43Å; T141-G145 PolarHBondContact O-N 2.74Å; T141-G145 VanDerWaalsContact O-N 3.12Å; F142-G145 PolarHBondContact O-N 2.63Å; N143-G145 PolarHBondContact O-N 3.38Å; G145-M148 PolarHBondContact O-N 3.34Å; G145-A149 PolarHBondContact O-N 3.26Å
146K98.9Very high98.5Very high98 Ų9871.4 Ų71.443%0.42635%0.353SS..Hα-helixtrans-66.9-46.4177.4-174.5-174.6173.5-165.50112.1F142 N143 E144 M148 A149 E150 F157F142-K146 HydrophobicContact CE1-CB 4.46Å; F142-K146 HydrophobicContact CE1-CD 4.25Å; F142-K146 WeakPolarHBondContact O-CB 3.39Å; F142-K146 PolarHBondContact O-N 3.49Å; N143-K146 PolarHBondContact O-N 2.7Å; E144-K146 VanDerWaalsContact C-N 3.33Å; E144-K146 PolarHBondContact O-N 3.23Å; K146-M148 VanDerWaalsContact C-N 3.31Å; K146-M148 PolarHBondContact O-N 3.12Å; K146-A149 WeakPolarHBondContact O-CB 3.41Å; K146-A149 PolarHBondContact O-N 3.39Å; K146-A149 VanDerWaalsContact O-N 3.16Å; K146-E150 WeakPolarHBondContact CE-OE1 3.42Å; K146-E150 PolarHBondContact O-N 3.05Å; K146-F157 HydrophobicContact CB-CD1 4.02Å; K146-F157 HydrophobicContact CB-CE1 4.07Å
147E98.9Very high98.6Very high114 Ų11463.3 Ų63.353%0.53332%0.318SS..Hα-helixtrans-60.7-41.9176.4-74.7174.3-168.600111N143 E144 A149 E150 N151N143-E147 WeakPolarHBondContact O-CB 2.98Å; N143-E147 WeakPolarHBondContact O-CG 3.21Å; N143-E147 PolarHBondContact O-N 3.46Å; E144-E147 PolarHBondContact O-N 3.39Å; E147-A149 VanDerWaalsContact C-N 3.33Å; E147-A149 PolarHBondContact O-N 3.1Å; E147-E150 PolarHBondContact O-N 2.78Å; E147-N151 WeakPolarHBondContact O-CB 3.19Å; E147-N151 PolarHBondContact O-N 2.87Å; E147-N151 PolarHBondContact O-ND2 3.25Å
148M98.8Very high98.7Very high19 Ų1964.3 Ų64.39%0.09432%0.322CS..Hα-helixtrans-59-44.6173.5-17663.274.700111.8F93 I96 P97 L115 E144 G145 K146 E150 N151 I152F93-M148 HydrophobicContact CD1-CE 4.39Å; F93-M148 HydrophobicContact CD2-CE 4.37Å; F93-M148 HydrophobicContact CE1-CE 3.84Å; F93-M148 HydrophobicContact CE2-CB 3.48Å; F93-M148 VanDerWaalsContact CE2-CB 3.48Å; F93-M148 HydrophobicContact CE2-CE 3.82Å; F93-M148 HydrophobicContact CE2-CG 3.77Å; F93-M148 HydrophobicContact CZ-CB 3.7Å; F93-M148 HydrophobicContact CZ-CE 3.53Å; F93-M148 HydrophobicContact CZ-CG 4.2Å; I96-M148 HydrophobicContact CB-CE 4.43Å; I96-M148 HydrophobicContact CB-CG 4.38Å; I96-M148 HydrophobicContact CB-SD 4.25Å; I96-M148 HydrophobicContact CG2-CG 3.82Å; I96-M148 HydrophobicContact CG2-SD 3.81Å; P97-M148 HydrophobicContact CG-CE 3.97Å; P97-M148 HydrophobicContact CG-SD 4.19Å; L115-M148 HydrophobicContact CD2-CB 3.97Å; L115-M148 HydrophobicContact CD2-CG 3.8Å; E144-M148 WeakPolarHBondContact O-CB 3.43Å; E144-M148 PolarHBondContact O-N 2.98Å; G145-M148 PolarHBondContact O-N 3.34Å; K146-M148 VanDerWaalsContact C-N 3.31Å; K146-M148 PolarHBondContact O-N 3.12Å; M148-E150 VanDerWaalsContact C-N 3.31Å; M148-E150 PolarHBondContact O-N 3.18Å; M148-N151 PolarHBondContact O-N 2.96Å; M148-I152 HydrophobicContact CG-CG2 4.36Å; M148-I152 WeakPolarHBondContact O-CG1 3.16Å; M148-I152 WeakPolarHBondContact O-CG2 3.33Å; M148-I152 PolarHBondContact O-N 3.42Å; M148-I152 HydrophobicContact SD-CG2 3.85Å
149A98.9Very high98.7Very high9 Ų959.9 Ų59.97%0.07430%0.298CS..Hα-helixtrans-60.3-41178.300000112.7L115 G145 K146 E147 N153 A154 F157L115-A149 HydrophobicContact CB-CB 4.4Å; L115-A149 HydrophobicContact CD2-CB 3.89Å; G145-A149 PolarHBondContact O-N 3.26Å; K146-A149 WeakPolarHBondContact O-CB 3.41Å; K146-A149 PolarHBondContact O-N 3.39Å; K146-A149 VanDerWaalsContact O-N 3.16Å; E147-A149 VanDerWaalsContact C-N 3.33Å; E147-A149 PolarHBondContact O-N 3.1Å; A149-N153 PolarHBondContact O-N 2.99Å; A149-A154 HydrophobicContact CB-CB 4.09Å; A149-A154 WeakPolarHBondContact O-CB 3.24Å; A149-A154 PolarHBondContact O-N 3.32Å; A149-F157 HydrophobicContact CB-CB 3.51Å; A149-F157 HydrophobicContact CB-CD2 4.48Å; A149-F157 HydrophobicContact CB-CG 4.04Å
150E98.8Very high98.7Very high126 Ų12659.1 Ų59.159%0.58929%0.294SS*.Hα-helixtrans-64-47.6173.9-68.5174.6-171.900110.6K146 E147 M148 I152 N153K146-E150 WeakPolarHBondContact CE-OE1 3.42Å; K146-E150 PolarHBondContact O-N 3.05Å; E147-E150 PolarHBondContact O-N 2.78Å; M148-E150 VanDerWaalsContact C-N 3.31Å; M148-E150 PolarHBondContact O-N 3.18Å; E150-I152 VanDerWaalsContact C-N 3.34Å; E150-I152 PolarHBondContact O-N 3.13Å; E150-N153 PolarHBondContact O-N 3.48Å; E150-N153 VanDerWaalsContact O-N 3.12Å
151N98.6Very high98.7Very high133 Ų13359 Ų5971%0.71129%0.293SS*.Hα-helixtrans-60.5-38.5-179.2-71.8-24.8000113.3E147 M148 N153E147-N151 WeakPolarHBondContact O-CB 3.19Å; E147-N151 PolarHBondContact O-N 2.87Å; E147-N151 PolarHBondContact O-ND2 3.25Å; M148-N151 PolarHBondContact O-N 2.96Å; N151-N153 VanDerWaalsContact C-N 3.32Å
152I98Very high98.7Very high9 Ų956.2 Ų56.25%0.04628%0.276CS..THydrogen-bonded Turntrans-89.10.6-179.475.8177.7000113.6L83 I96 L101 R105 L115 M148 E150 A154L83-I152 HydrophobicContact CD2-CD1 4.03Å; I96-I152 HydrophobicContact CG2-CD1 4.09Å; I96-I152 HydrophobicContact CG2-CG2 4.2Å; L101-I152 HydrophobicContact CD1-CB 4.01Å; L101-I152 HydrophobicContact CD2-CB 3.79Å; L101-I152 HydrophobicContact CD2-CG2 3.63Å; L101-I152 HydrophobicContact CG-CB 4.48Å; R105-I152 PolarHBondContact NH2-O 2.92Å; L115-I152 HydrophobicContact CB-CD1 4.38Å; L115-I152 HydrophobicContact CD1-CD1 4.16Å; L115-I152 HydrophobicContact CD2-CD1 4.3Å; M148-I152 HydrophobicContact CG-CG2 4.36Å; M148-I152 WeakPolarHBondContact O-CG1 3.16Å; M148-I152 WeakPolarHBondContact O-CG2 3.33Å; M148-I152 PolarHBondContact O-N 3.42Å; M148-I152 HydrophobicContact SD-CG2 3.85Å; E150-I152 VanDerWaalsContact C-N 3.34Å; E150-I152 PolarHBondContact O-N 3.13Å; I152-A154 HydrophobicContact CD1-CB 4.24Å; I152-A154 HydrophobicContact CG1-CB 3.96Å
153N97.5Very high98.7Very high130 Ų13057.8 Ų57.870%0.69528%0.283SS*.THydrogen-bonded Turntrans52.552.2-172.6-170.834.1000111.7A149 E150 N151A149-N153 PolarHBondContact O-N 2.99Å; E150-N153 PolarHBondContact O-N 3.48Å; E150-N153 VanDerWaalsContact O-N 3.12Å; N151-N153 VanDerWaalsContact C-N 3.32Å
154A98.7Very high98.6Very high18 Ų1856.3 Ų56.315%0.14928%0.278CS..  trans-69.3145173.600000110.3I113 L115 A149 I152 A156I113-A154 CarbonylContact O-C 3.59Å; I113-A154 WeakPolarHBondContact O-CA 3.37Å; L115-A154 HydrophobicContact CB-CB 4.22Å; A149-A154 HydrophobicContact CB-CB 4.09Å; A149-A154 WeakPolarHBondContact O-CB 3.24Å; A149-A154 PolarHBondContact O-N 3.32Å; I152-A154 HydrophobicContact CD1-CB 4.24Å; I152-A154 HydrophobicContact CG1-CB 3.96Å; A154-A156 VanDerWaalsContact C-N 3.29Å; A154-A156 PolarHBondContact O-N 2.47Å
155Y98.4Very high98.6Very high103 Ų10356.8 Ų56.840%0.40428%0.278SS..SBendtrans-62.4-38.9173.4176.1-89.1000111.6P112 I113 V114 A178P112-Y155 HydrophobicContact CB-CD2 4.48Å; P112-Y155 HydrophobicContact CB-CG 4.45Å; I113-Y155 WeakPolarHBondContact O-CB 3.41Å; I113-Y155 PolarHBondContact O-N 3.02Å; V114-Y155 HydrophobicContact CG2-CD1 4.31Å; Y155-A178 HydrophobicContact CD1-CB 3.55Å; Y155-A178 HydrophobicContact CD2-CB 4.01Å; Y155-A178 HydrophobicContact CE1-CB 3.63Å; Y155-A178 HydrophobicContact CE2-CB 4.08Å; Y155-A178 HydrophobicContact CG-CB 3.75Å
156A98.7Very high98.6Very high22 Ų2261.1 Ų61.118%0.18230%0.299CS..EExtended strand (participates in β ladder)trans-156.8162.4176.600000110.9V114 L115 A154 F158 A174V114-A156 WeakPolarHBondContact CA-O 3.32Å; V114-A156 HydrophobicContact CG1-CB 4.47Å; L115-A156 PolarHBondContact N-O 3.42Å; A154-A156 VanDerWaalsContact C-N 3.29Å; A154-A156 PolarHBondContact O-N 2.47Å; A156-F158 HydrophobicContact CB-CD2 4.28Å; A156-F158 HydrophobicContact CB-CE2 3.72Å; A156-A174 HydrophobicContact CB-CB 4.37Å
157F98.9Very high98.6Very high30 Ų3057.2 Ų57.213%0.13229%0.286CS..EExtended strand (participates in β ladder)trans-130.2134173.4169.6-118.3000110.6Y85 L115 F142 K146 A149 E159Y85-F157 HydrophobicContact CE1-CE2 4.14Å; L115-F157 HydrophobicContact CB-CD2 4.15Å; L115-F157 HydrophobicContact CD2-CD2 4.05Å; L115-F157 HydrophobicContact CD2-CE2 4.48Å; L115-F157 HydrophobicContact CG-CD2 4.05Å; L115-F157 WeakPolarHBondContact O-CA 3.42Å; F142-F157 AromaticContact CD2-CE1 3.96Å; F142-F157 HydrophobicContact CD2-CE1 3.96Å; F142-F157 HydrophobicContact CE2-CD1 4.38Å; F142-F157 AromaticContact CE2-CE1 3.76Å; F142-F157 HydrophobicContact CE2-CE1 3.76Å; F142-F157 HydrophobicContact CZ-CE1 4.18Å; K146-F157 HydrophobicContact CB-CD1 4.02Å; K146-F157 HydrophobicContact CB-CE1 4.07Å; A149-F157 HydrophobicContact CB-CB 3.51Å; A149-F157 HydrophobicContact CB-CD2 4.48Å; A149-F157 HydrophobicContact CB-CG 4.04Å; F157-E159 HydrophobicContact CE1-CG 4.25Å; F157-E159 HydrophobicContact CE2-CG 4.19Å; F157-E159 HydrophobicContact CZ-CG 3.58Å
158F98.9Very high98.6Very high66 Ų6652.1 Ų52.129%0.28926%0.263SS..EExtended strand (participates in β ladder)trans-140151.2174-69-86000110.6V114 L115 V116 G117 A156 D170 V171 A174V114-F158 HydrophobicContact CG1-CD2 4.4Å; L115-F158 PolarHBondContact O-N 3.17Å; L115-F158 VanDerWaalsContact O-N 3.16Å; V116-F158 WeakPolarHBondContact CA-O 3.45Å; G117-F158 PolarHBondContact N-O 2.77Å; A156-F158 HydrophobicContact CB-CD2 4.28Å; A156-F158 HydrophobicContact CB-CE2 3.72Å; F158-D170 HydrophobicContact CD1-CB 3.9Å; F158-D170 HydrophobicContact CE1-CB 3.87Å; F158-V171 HydrophobicContact CB-CG2 3.71Å; F158-V171 HydrophobicContact CG-CG2 4.38Å; F158-A174 HydrophobicContact CD2-CB 4.11Å; F158-A174 HydrophobicContact CE2-CB 3.32Å; F158-A174 HydrophobicContact CZ-CB 3.97Å
159E98.9Very high98.5Very high15 Ų1554.9 Ų54.97%0.0728%0.284CS..EExtended strand (participates in β ladder)trans-107.9140.4164-62.4-174.7160.300109.7I87 G117 K120 R123 F142 F157I87-E159 HydrophobicContact CD1-CB 4.28Å; I87-E159 HydrophobicContact CD1-CG 4.19Å; G117-E159 CarbonylContact O-C 3.51Å; G117-E159 WeakPolarHBondContact O-CA 3.17Å; K120-E159 HydrophobicContact CD-CB 3.96Å; K120-E159 HydrophobicContact CG-CB 4.34Å; R123-E159 IonicContact CZ-OE1 2.78Å; R123-E159 IonicContact CZ-OE2 3.73Å; R123-E159 VanDerWaalsContact CZ-OE2 3.25Å; R123-E159 IonicContact NH1-OE1 2.67Å; R123-E159 IonicContact NH1-OE2 3.04Å; R123-E159 PolarHBondContact NH1-OE2 2.67Å; R123-E159 IonicContact NH2-OE1 3.27Å; R123-E159 PolarHBondContact NH2-OE1 2.7Å; R123-E159 IonicContact NH2-OE2 3.92Å; R123-E159 PolarHBondContact NH2-OE2 3.09Å; F142-E159 VanDerWaalsContact CA-OE1 3.26Å; F142-E159 WeakPolarHBondContact CA-OE1 3.3Å; F142-E159 HydrophobicContact CD2-CG 4.11Å; F157-E159 HydrophobicContact CE1-CG 4.25Å; F157-E159 HydrophobicContact CE2-CG 4.19Å; F157-E159 HydrophobicContact CZ-CG 3.58Å
160C98.9Very high98.5Very high0 Ų058.7 Ų58.70%030%0.303CS..  trans-142.9168.1179.567.30000111.4V116 G117 N118 K119 K120 E166 V168 V171V116-C160 VanDerWaalsContact CG1-SG 3.52Å; G117-C160 PolarHBondContact O-N 3.44Å; N118-C160 CarbonylContact C-O 3.57Å; N118-C160 WeakPolarHBondContact CA-O 3.19Å; N118-C160 PolarHBondContact OD1-O 2.95Å; N118-C160 PolarHBondContact OD1-SG 2.93Å; K119-C160 PolarHBondContact N-O 2.85Å; K120-C160 VanDerWaalsContact CB-O 3.3Å; K120-C160 WeakPolarHBondContact CB-O 2.94Å; K120-C160 PolarHBondContact N-O 3.1Å; C160-E166 CarbonylContact C-O 3.31Å; C160-E166 WeakPolarHBondContact CA-O 3.18Å; C160-E166 WeakPolarHBondContact CB-O 3.42Å; C160-V168 HydrophobicContact CB-CG2 4.43Å; C160-V171 HydrophobicContact CB-CG2 4.09Å
161S98.8Very high98.5Very high0 Ų052.7 Ų52.70%028%0.275CS..  trans-130.6109.4166.4167.40000108.1D121 K163 T164 K165 E166D121-S161 VanDerWaalsContact CG-OG 3.28Å; D121-S161 VanDerWaalsContact OD1-CB 3.25Å; D121-S161 WeakPolarHBondContact OD1-CB 3.42Å; D121-S161 PolarHBondContact OD1-OG 2.93Å; S161-K163 PolarHBondContact O-N 3.09Å; S161-K163 PolarHBondContact OG-N 2.81Å; S161-T164 WeakPolarHBondContact CB-OG1 3.23Å; S161-T164 PolarHBondContact O-N 3.22Å; S161-T164 PolarHBondContact OG-N 3.43Å; S161-T164 VanDerWaalsContact OG-N 3.08Å; S161-T164 PolarHBondContact OG-OG1 2.91Å; S161-K165 CarbonylContact O-C 3.58Å; S161-K165 VanDerWaalsContact O-CA 3.25Å; S161-K165 WeakPolarHBondContact O-CA 3.36Å; S161-K165 PolarHBondContact O-N 2.97Å; S161-E166 PolarHBondContact N-O 2.93Å; S161-E166 PolarHBondContact O-N 3.25Å
162A98.6Very high98.5Very high3 Ų346.4 Ų46.43%0.02524%0.242CC..THydrogen-bonded Turntrans-56.4-34.7170.600000111.4C21 L22 V25 F31 N118C21-A162 HydrophobicContact CB-CB 4.03Å; L22-A162 HydrophobicContact CB-CB 4.34Å; L22-A162 HydrophobicContact CD1-CB 4.36Å; V25-A162 HydrophobicContact CG2-CB 4.23Å; V25-A162 VanDerWaalsContact CG2-O 3.29Å; V25-A162 WeakPolarHBondContact CG2-O 3.41Å; F31-A162 HydrophobicContact CD2-CB 4.23Å; F31-A162 WeakPolarHBondContact CD2-O 3.46Å; F31-A162 HydrophobicContact CE2-CB 4.06Å; N118-A162 PolarHBondContact OD1-N 3.16Å
163K98Very high98.6Very high129 Ų12947.6 Ų47.656%0.56125%0.249SC*.THydrogen-bonded Turntrans-66.9-42.1-178.1-175.1179.1169.8-166.60113.1F31 D121 S161F31-K163 VanDerWaalsContact CD2-CA 3.46Å; F31-K163 HydrophobicContact CD2-CB 4.17Å; F31-K163 HydrophobicContact CE1-CG 4.36Å; F31-K163 HydrophobicContact CE2-CB 3.83Å; F31-K163 HydrophobicContact CZ-CB 4.03Å; F31-K163 HydrophobicContact CZ-CG 4.33Å; D121-K163 WeakPolarHBondContact OD2-CD 3.4Å; D121-K163 IonicContact OD2-NZ 3.2Å; S161-K163 PolarHBondContact O-N 3.09Å; S161-K163 PolarHBondContact OG-N 2.81Å
164T98.2Very high98.6Very high77 Ų7741.7 Ų41.747%0.47222%0.218SC..THydrogen-bonded Turntrans-97.1-6.9-179.465.30000113.2D121 S161 E166D121-T164 HydrophobicContact CB-CG2 3.91Å; S161-T164 WeakPolarHBondContact CB-OG1 3.23Å; S161-T164 PolarHBondContact O-N 3.22Å; S161-T164 PolarHBondContact OG-N 3.43Å; S161-T164 VanDerWaalsContact OG-N 3.08Å; S161-T164 PolarHBondContact OG-OG1 2.91Å; T164-E166 PolarHBondContact O-N 2.74Å; T164-E166 WeakPolarHBondContact OG1-CB 3.13Å; T164-E166 PolarHBondContact OG1-N 3.16Å
165K98.3Very high98.6Very high91 Ų9140.8 Ų40.840%0.39621%0.211SC..  trans68.61.7-172.1-48-177.9176.6-1740114.7V25 D29 S161 G167 V168V25-K165 HydrophobicContact CG1-CB 4.49Å; V25-K165 HydrophobicContact CG1-CG 3.93Å; D29-K165 PolarHBondContact O-NZ 3.43Å; D29-K165 WeakPolarHBondContact OD1-CE 3.34Å; D29-K165 IonicContact OD1-NZ 3.58Å; D29-K165 PolarHBondContact OD1-NZ 3.44Å; D29-K165 IonicContact OD2-NZ 2.71Å; D29-K165 PolarHBondContact OD2-NZ 3.32Å; S161-K165 CarbonylContact O-C 3.58Å; S161-K165 VanDerWaalsContact O-CA 3.25Å; S161-K165 WeakPolarHBondContact O-CA 3.36Å; S161-K165 PolarHBondContact O-N 2.97Å; K165-G167 PolarHBondContact O-N 2.92Å; K165-V168 PolarHBondContact O-N 3.27Å
166E98.7Very high98.6Very high91 Ų9135.9 Ų35.943%0.42519%0.192SC..THydrogen-bonded Turntrans-59.9130177.2-170.4-170.7172.500111.1K120 C160 S161 T164 V168K120-E166 IonicContact NZ-OE1 2.63Å; K120-E166 PolarHBondContact NZ-OE1 3.28Å; C160-E166 CarbonylContact C-O 3.31Å; C160-E166 WeakPolarHBondContact CA-O 3.18Å; C160-E166 WeakPolarHBondContact CB-O 3.42Å; S161-E166 PolarHBondContact N-O 2.93Å; S161-E166 PolarHBondContact O-N 3.25Å; T164-E166 PolarHBondContact O-N 2.74Å; T164-E166 WeakPolarHBondContact OG1-CB 3.13Å; T164-E166 PolarHBondContact OG1-N 3.16Å; E166-V168 PolarHBondContact O-N 2.89Å
167G98.6Very high98.6Very high16 Ų1638.5 Ų38.517%0.16520%0.197CC..THydrogen-bonded Turntrans70.9-5174.400000115.9K165 S169 D170 V171K165-G167 PolarHBondContact O-N 2.92Å; G167-S169 PolarHBondContact O-N 3.49Å; G167-D170 PolarHBondContact O-N 3.25Å; G167-V171 WeakPolarHBondContact O-CG2 3.31Å; G167-V171 PolarHBondContact O-N 3.33Å
168V98.8Very high98.6Very high8 Ų837.2 Ų37.25%0.04819%0.192CC..Hα-helixtrans-61.4-46-176.5176.70000111L22 V25 F26 C160 K165 E166 D170 V171 F172L22-V168 HydrophobicContact CD1-CB 4.32Å; L22-V168 HydrophobicContact CD1-CG1 3.93Å; L22-V168 HydrophobicContact CD1-CG2 3.79Å; V25-V168 HydrophobicContact CG1-CG1 4.32Å; V25-V168 HydrophobicContact CG1-CG2 4.27Å; F26-V168 HydrophobicContact CB-CG1 3.96Å; C160-V168 HydrophobicContact CB-CG2 4.43Å; K165-V168 PolarHBondContact O-N 3.27Å; E166-V168 PolarHBondContact O-N 2.89Å; V168-D170 VanDerWaalsContact C-N 3.34Å; V168-D170 PolarHBondContact O-N 3.27Å; V168-V171 WeakPolarHBondContact O-CB 3.39Å; V168-V171 PolarHBondContact O-N 2.66Å; V168-F172 HydrophobicContact CG1-CD2 4.06Å; V168-F172 HydrophobicContact CG1-CE2 3.97Å; V168-F172 VanDerWaalsContact O-CD2 3.28Å; V168-F172 WeakPolarHBondContact O-CD2 3.46Å; V168-F172 PolarHBondContact O-N 2.76Å
169S98.2Very high98.5Very high76 Ų7634 Ų3453%0.53118%0.178SC..Hα-helixtrans-60.5-43.2179.3-174.40000112.1G167 V171 F172 V173G167-S169 PolarHBondContact O-N 3.49Å; S169-V171 VanDerWaalsContact C-N 3.31Å; S169-V171 PolarHBondContact O-N 3.27Å; S169-F172 PolarHBondContact O-N 2.92Å; S169-V173 WeakPolarHBondContact O-CG2 3.4Å; S169-V173 PolarHBondContact O-N 3.46Å
170D98.7Very high98.4Very high90 Ų9034.5 Ų34.548%0.48118%0.181SC..Hα-helixtrans-60.6-41.4-179.2-59.1-52.2000112F158 G167 V168 F172 V173 A174F158-D170 HydrophobicContact CD1-CB 3.9Å; F158-D170 HydrophobicContact CE1-CB 3.87Å; G167-D170 PolarHBondContact O-N 3.25Å; V168-D170 VanDerWaalsContact C-N 3.34Å; V168-D170 PolarHBondContact O-N 3.27Å; D170-F172 PolarHBondContact O-N 3.07Å; D170-V173 PolarHBondContact O-N 3.22Å; D170-A174 WeakPolarHBondContact O-CB 3.43Å; D170-A174 PolarHBondContact O-N 3.22Å
171V98.9Very high98Very high0 Ų039 Ų390%020%0.204CC..Hα-helixtrans-55.6-51.7175.4171.30000111L82 V116 F158 C160 G167 V168 S169 A174 A175L82-V171 HydrophobicContact CD1-CG1 3.47Å; L82-V171 VanDerWaalsContact CD1-CG1 3.47Å; L82-V171 HydrophobicContact CD2-CG1 4.16Å; L82-V171 HydrophobicContact CG-CG1 4.38Å; V116-V171 HydrophobicContact CG1-CG2 4.21Å; V116-V171 HydrophobicContact CG2-CG1 3.72Å; V116-V171 HydrophobicContact CG2-CG2 4.24Å; F158-V171 HydrophobicContact CB-CG2 3.71Å; F158-V171 HydrophobicContact CG-CG2 4.38Å; C160-V171 HydrophobicContact CB-CG2 4.09Å; G167-V171 WeakPolarHBondContact O-CG2 3.31Å; G167-V171 PolarHBondContact O-N 3.33Å; V168-V171 WeakPolarHBondContact O-CB 3.39Å; V168-V171 PolarHBondContact O-N 2.66Å; S169-V171 VanDerWaalsContact C-N 3.31Å; S169-V171 PolarHBondContact O-N 3.27Å; V171-A174 PolarHBondContact O-N 3.48Å; V171-A175 WeakPolarHBondContact O-CB 3.44Å; V171-A175 PolarHBondContact O-N 3.13Å
172F98.8Very high97.3Very high0 Ų040.4 Ų40.40%022%0.215CC..Hα-helixtrans-77.4-28.4-176-72.4-83.8000113.4L9 L22 L23 F26 I47 L56 L58 V168 S169 D170 T176L9-F172 HydrophobicContact CD1-CD1 4.16Å; L9-F172 HydrophobicContact CD1-CE1 4.19Å; L22-F172 HydrophobicContact CD1-CE2 4.19Å; L22-F172 HydrophobicContact CG-CE2 4.01Å; L22-F172 HydrophobicContact CG-CZ 4.22Å; L23-F172 HydrophobicContact CD2-CE1 3.97Å; L23-F172 HydrophobicContact CD2-CZ 3.91Å; F26-F172 HydrophobicContact CB-CD2 3.62Å; F26-F172 HydrophobicContact CB-CE1 4.35Å; F26-F172 HydrophobicContact CB-CE2 3.31Å; F26-F172 HydrophobicContact CB-CG 4.29Å; F26-F172 HydrophobicContact CB-CZ 3.72Å; F26-F172 HydrophobicContact CD1-CB 4.4Å; F26-F172 AromaticContact CD1-CD1 3.46Å; F26-F172 HydrophobicContact CD1-CD1 3.46Å; F26-F172 VanDerWaalsContact CD1-CD1 3.46Å; F26-F172 AromaticContact CD1-CD2 3.85Å; F26-F172 HydrophobicContact CD1-CD2 3.85Å; F26-F172 AromaticContact CD1-CE1 3.55Å; F26-F172 HydrophobicContact CD1-CE1 3.55Å; F26-F172 AromaticContact CD1-CE2 3.96Å; F26-F172 HydrophobicContact CD1-CE2 3.96Å; F26-F172 AromaticContact CD1-CG 3.63Å; F26-F172 HydrophobicContact CD1-CG 3.63Å; F26-F172 AromaticContact CD1-CZ 3.81Å; F26-F172 HydrophobicContact CD1-CZ 3.81Å; F26-F172 HydrophobicContact CD2-CB 3.8Å; F26-F172 HydrophobicContact CD2-CD1 4.28Å; F26-F172 AromaticContact CD2-CD2 3.43Å; F26-F172 HydrophobicContact CD2-CD2 3.43Å; F26-F172 VanDerWaalsContact CD2-CD2 3.43Å; F26-F172 HydrophobicContact CD2-CE2 4.08Å; F26-F172 AromaticContact CD2-CG 3.57Å; F26-F172 HydrophobicContact CD2-CG 3.57Å; F26-F172 HydrophobicContact CE1-CB 4.1Å; F26-F172 AromaticContact CE1-CD1 3.52Å; F26-F172 HydrophobicContact CE1-CD1 3.52Å; F26-F172 HydrophobicContact CE1-CD2 4.39Å; F26-F172 HydrophobicContact CE1-CE1 4.02Å; F26-F172 AromaticContact CE1-CG 3.74Å; F26-F172 HydrophobicContact CE1-CG 3.74Å; F26-F172 HydrophobicContact CE2-CB 3.47Å; F26-F172 VanDerWaalsContact CE2-CB 3.47Å; F26-F172 HydrophobicContact CE2-CD1 4.34Å; F26-F172 HydrophobicContact CE2-CD2 4.04Å; F26-F172 AromaticContact CE2-CG 3.7Å; F26-F172 HydrophobicContact CE2-CG 3.7Å; F26-F172 HydrophobicContact CG-CB 4.26Å; F26-F172 AromaticContact CG-CD1 3.87Å; F26-F172 HydrophobicContact CG-CD1 3.87Å; F26-F172 AromaticContact CG-CD2 3.33Å; F26-F172 HydrophobicContact CG-CD2 3.33Å; F26-F172 HydrophobicContact CG-CE1 4Å; F26-F172 AromaticContact CG-CE2 3.51Å; F26-F172 HydrophobicContact CG-CE2 3.51Å; F26-F172 AromaticContact CG-CG 3.54Å; F26-F172 HydrophobicContact CG-CG 3.54Å; F26-F172 AromaticContact CG-CZ 3.84Å; F26-F172 HydrophobicContact CG-CZ 3.84Å; F26-F172 HydrophobicContact CZ-CB 3.64Å; F26-F172 AromaticContact CZ-CD1 3.98Å; F26-F172 HydrophobicContact CZ-CD1 3.98Å; F26-F172 HydrophobicContact CZ-CD2 4.48Å; F26-F172 AromaticContact CZ-CG 3.78Å; F26-F172 HydrophobicContact CZ-CG 3.78Å; I47-F172 HydrophobicContact CD1-CB 4.21Å; L56-F172 HydrophobicContact CD1-CD1 4.33Å; L58-F172 HydrophobicContact CD2-CD1 4.42Å; L58-F172 HydrophobicContact CD2-CE1 4.03Å; V168-F172 HydrophobicContact CG1-CD2 4.06Å; V168-F172 HydrophobicContact CG1-CE2 3.97Å; V168-F172 VanDerWaalsContact O-CD2 3.28Å; V168-F172 WeakPolarHBondContact O-CD2 3.46Å; V168-F172 PolarHBondContact O-N 2.76Å; S169-F172 PolarHBondContact O-N 2.92Å; D170-F172 PolarHBondContact O-N 3.07Å; F172-T176 WeakPolarHBondContact O-CB 3.24Å; F172-T176 PolarHBondContact O-N 2.92Å; F172-T176 PolarHBondContact O-OG1 2.75Å
173V98.7Very high95.9Very high35 Ų3544.8 Ų44.821%0.21225%0.251CS..Hα-helixtrans-63.8-46.7169.5168.90000110.1I47 V49 S169 D170 T176 R177I47-V173 HydrophobicContact CD1-CG2 4.04Å; V49-V173 HydrophobicContact CG1-CG1 4.37Å; V49-V173 HydrophobicContact CG2-CB 4.46Å; V49-V173 HydrophobicContact CG2-CG1 4.28Å; V49-V173 HydrophobicContact CG2-CG2 4.34Å; S169-V173 WeakPolarHBondContact O-CG2 3.4Å; S169-V173 PolarHBondContact O-N 3.46Å; D170-V173 PolarHBondContact O-N 3.22Å; V173-T176 PolarHBondContact O-N 2.93Å; V173-R177 WeakPolarHBondContact O-CB 3.5Å; V173-R177 PolarHBondContact O-N 3.4Å
174A98.7Very high94.2Very high5 Ų544.6 Ų44.64%0.04125%0.25CS..Hα-helixtrans-65-44.3178.500000112.4A156 F158 D170 V171 R177 A178A156-A174 HydrophobicContact CB-CB 4.37Å; F158-A174 HydrophobicContact CD2-CB 4.11Å; F158-A174 HydrophobicContact CE2-CB 3.32Å; F158-A174 HydrophobicContact CZ-CB 3.97Å; D170-A174 WeakPolarHBondContact O-CB 3.43Å; D170-A174 PolarHBondContact O-N 3.22Å; V171-A174 PolarHBondContact O-N 3.48Å; A174-R177 PolarHBondContact O-N 3.2Å; A174-A178 WeakPolarHBondContact O-CB 3.33Å; A174-A178 PolarHBondContact O-N 2.78Å
175A98.7Very high92.1Very high0 Ų048.7 Ų48.70%026%0.261CS..Hα-helixtrans-62.9-43.517700000112L9 V80 L82 V114 V171 A178 A179L9-A175 HydrophobicContact CD1-CB 3.73Å; V80-A175 HydrophobicContact CG1-CB 4.3Å; V80-A175 HydrophobicContact CG2-CB 4.17Å; L82-A175 HydrophobicContact CD1-CB 4.18Å; V114-A175 HydrophobicContact CG2-CB 4.2Å; V171-A175 WeakPolarHBondContact O-CB 3.44Å; V171-A175 PolarHBondContact O-N 3.13Å; A175-A178 WeakPolarHBondContact O-CB 3.41Å; A175-A178 PolarHBondContact O-N 3.46Å; A175-A179 WeakPolarHBondContact O-CB 3.47Å; A175-A179 PolarHBondContact O-N 3.45Å
176T98.4Very high89.7Confident0 Ų053.8 Ų53.80%028%0.283CS..Hα-helixtrans-62.1-44.4175-60.80000111.6I47 V49 V54 L56 F172 V173 A178 A179 L180I47-T176 HydrophobicContact CG2-CG2 4.09Å; V49-T176 HydrophobicContact CB-CG2 3.83Å; V49-T176 HydrophobicContact CG1-CG2 4.45Å; V49-T176 HydrophobicContact CG2-CG2 3.58Å; V54-T176 HydrophobicContact CB-CG2 4.01Å; V54-T176 HydrophobicContact CG1-CG2 4.04Å; V54-T176 HydrophobicContact CG2-CG2 3.8Å; L56-T176 WeakPolarHBondContact CD1-OG1 3.45Å; F172-T176 WeakPolarHBondContact O-CB 3.24Å; F172-T176 PolarHBondContact O-N 2.92Å; F172-T176 PolarHBondContact O-OG1 2.75Å; V173-T176 PolarHBondContact O-N 2.93Å; T176-A178 VanDerWaalsContact C-N 3.33Å; T176-A178 PolarHBondContact O-N 3.4Å; T176-A179 WeakPolarHBondContact O-CB 3.26Å; T176-A179 PolarHBondContact O-N 3.35Å; T176-L180 HydrophobicContact CG2-CD1 3.88Å; T176-L180 HydrophobicContact CG2-CG 4.28Å; T176-L180 WeakPolarHBondContact O-CB 3.42Å; T176-L180 VanDerWaalsContact O-CG 3.31Å; T176-L180 WeakPolarHBondContact O-CG 3.28Å; T176-L180 PolarHBondContact O-N 3.43Å
177R97.9Very high87.4Confident77 Ų7758.8 Ų58.829%0.29130%0.299SS..Hα-helixtrans-61-43.1177.1-170.6176.1-66.8115.6-0.1111.5V49 D50 V173 A174 L180 N181V49-R177 HydrophobicContact CG1-CB 4.09Å; D50-R177 IonicContact OD1-CZ 3.82Å; D50-R177 IonicContact OD1-NE 3.31Å; D50-R177 PolarHBondContact OD1-NE 3.03Å; D50-R177 IonicContact OD1-NH2 2.87Å; D50-R177 PolarHBondContact OD1-NH2 2.86Å; D50-R177 IonicContact OD2-NE 3.1Å; D50-R177 PolarHBondContact OD2-NE 3.09Å; D50-R177 VanDerWaalsContact OD2-NE 3.1Å; V173-R177 WeakPolarHBondContact O-CB 3.5Å; V173-R177 PolarHBondContact O-N 3.4Å; A174-R177 PolarHBondContact O-N 3.2Å; R177-L180 PolarHBondContact O-N 2.85Å; R177-N181 WeakPolarHBondContact O-CB 3.29Å; R177-N181 VanDerWaalsContact O-CG 3.25Å; R177-N181 PolarHBondContact O-N 3.36Å; R177-N181 PolarHBondContact O-ND2 2.93Å
178A98.2Very high85Confident2 Ų269.1 Ų69.12%0.01733%0.332CS..Hα-helixtrans-60.1-46.1174.900000111.6V80 P112 Y155 A174 A175 T176 L180 N181 S182V80-A178 HydrophobicContact CG2-CB 4.09Å; P112-A178 HydrophobicContact CB-CB 3.97Å; P112-A178 HydrophobicContact CG-CB 3.93Å; Y155-A178 HydrophobicContact CD1-CB 3.55Å; Y155-A178 HydrophobicContact CD2-CB 4.01Å; Y155-A178 HydrophobicContact CE1-CB 3.63Å; Y155-A178 HydrophobicContact CE2-CB 4.08Å; Y155-A178 HydrophobicContact CG-CB 3.75Å; A174-A178 WeakPolarHBondContact O-CB 3.33Å; A174-A178 PolarHBondContact O-N 2.78Å; A175-A178 WeakPolarHBondContact O-CB 3.41Å; A175-A178 PolarHBondContact O-N 3.46Å; T176-A178 VanDerWaalsContact C-N 3.33Å; T176-A178 PolarHBondContact O-N 3.4Å; A178-L180 VanDerWaalsContact C-N 3.34Å; A178-L180 PolarHBondContact O-N 2.98Å; A178-N181 PolarHBondContact O-N 3.33Å; A178-S182 PolarHBondContact O-N 3.06Å; A178-S182 VanDerWaalsContact O-N 3.08Å
179A97.5Very high82.5Confident0 Ų078.2 Ų78.20%037%0.366CS..Hα-helixtrans-63.4-36.817800000112.8K7 D79 V80 A175 T176 S182K7-A179 HydrophobicContact CB-CB 4.13Å; K7-A179 HydrophobicContact CD-CB 4.06Å; K7-A179 WeakPolarHBondContact CE-O 3.4Å; K7-A179 HydrophobicContact CG-CB 4.1Å; K7-A179 PolarHBondContact NZ-O 2.92Å; D79-A179 HydrophobicContact CB-CB 3.89Å; V80-A179 HydrophobicContact CB-CB 3.94Å; V80-A179 HydrophobicContact CG1-CB 3.81Å; A175-A179 WeakPolarHBondContact O-CB 3.47Å; A175-A179 PolarHBondContact O-N 3.45Å; T176-A179 WeakPolarHBondContact O-CB 3.26Å; T176-A179 PolarHBondContact O-N 3.35Å; A179-S182 PolarHBondContact O-OG 2.86Å
180L95.9Very high80Confident24 Ų2479.5 Ų79.513%0.12637%0.374CS..Hα-helixtrans-71.9-33.7177.6-75.6170.3000112.8V5 V49 R52 V54 T176 R177 A178V5-L180 HydrophobicContact CG1-CD2 4.26Å; V49-L180 HydrophobicContact CB-CD1 4.4Å; R52-L180 HydrophobicContact CB-CD1 4.49Å; V54-L180 HydrophobicContact CG2-CD1 3.85Å; V54-L180 HydrophobicContact CG2-CD2 3.85Å; V54-L180 HydrophobicContact CG2-CG 4.14Å; T176-L180 HydrophobicContact CG2-CD1 3.88Å; T176-L180 HydrophobicContact CG2-CG 4.28Å; T176-L180 WeakPolarHBondContact O-CB 3.42Å; T176-L180 VanDerWaalsContact O-CG 3.31Å; T176-L180 WeakPolarHBondContact O-CG 3.28Å; T176-L180 PolarHBondContact O-N 3.43Å; R177-L180 PolarHBondContact O-N 2.85Å; A178-L180 VanDerWaalsContact C-N 3.34Å; A178-L180 PolarHBondContact O-N 2.98Å
181N92.1Very high77.5Confident94 Ų9480.5 Ų80.550%0.50338%0.379SS..Hα-helixtrans-86.9-10.9-178.2-66.5-15.8000113R177 A178 A183R177-N181 WeakPolarHBondContact O-CB 3.29Å; R177-N181 VanDerWaalsContact O-CG 3.25Å; R177-N181 PolarHBondContact O-N 3.36Å; R177-N181 PolarHBondContact O-ND2 2.93Å; A178-N181 PolarHBondContact O-N 3.33Å; N181-A183 PolarHBondContact O-N 3.02Å
182S83.7Confident75Confident31 Ų3188.3 Ų88.322%0.21742%0.42CS..  trans-71.9113.2176.765.80000110.9D79 A178 A179 K184D79-S182 PolarHBondContact O-OG 3.36Å; A178-S182 PolarHBondContact O-N 3.06Å; A178-S182 VanDerWaalsContact O-N 3.08Å; A179-S182 PolarHBondContact O-OG 2.86Å; S182-K184 PolarHBondContact O-N 3.09Å
183A69.7Low72.3Confident95 Ų9599.4 Ų99.479%0.78548%0.477SS*.  trans-72.5108.5169.500000108.4N181 K185N181-A183 PolarHBondContact O-N 3.02Å; A183-K185 PolarHBondContact O-N 3.31Å
184K61.7Low71Confident125 Ų125102.6 Ų102.654%0.54349%0.49SS..  trans-61.8108.3168.9-69.7-166.8-178.6-175.70107.7D79 S182 K186D79-K184 WeakPolarHBondContact OD1-CE 3.44Å; D79-K184 IonicContact OD1-NZ 2.98Å; D79-K184 PolarHBondContact OD1-NZ 2.89Å; D79-K184 IonicContact OD2-NZ 3.25Å; D79-K184 PolarHBondContact OD2-NZ 2.9Å; S182-K184 PolarHBondContact O-N 3.09Å; K184-K186 PolarHBondContact O-N 3.08Å
185K53.9Low69.5Low163 Ų163107.7 Ų107.771%0.70951%0.513SS*.  trans-57.1113.2157.6-75.9177-170152.40105.2D110 A183 R187D110-K185 IonicContact OD2-NZ 2.92Å; D110-K185 PolarHBondContact OD2-NZ 2.85Å; A183-K185 PolarHBondContact O-N 3.31Å; K185-R187 PolarHBondContact O-N 3.04Å
186K47.7Very low67.9Low197 Ų197113.7 Ų113.786%0.85754%0.542SS*.  trans-48114171.7-80.9-179.5175.9176.90106.5K184 R188K184-K186 PolarHBondContact O-N 3.08Å; K186-R188 PolarHBondContact O-N 3.01Å
187R51Low66.1Low197 Ų197120.4 Ų120.474%0.74357%0.574SS**  trans-50.9119.4169.1-81.3177.667.5160.31.5105.3K185 R189K185-R187 PolarHBondContact O-N 3.04Å; R187-R189 PolarHBondContact O-N 3.48Å
188R48.3Very low64.1Low232 Ų232123.1 Ų123.188%0.87559%0.592SS**  trans-53.4115.3166.8-66.2179.883.7-178.25.1103.6K186 C190K186-R188 PolarHBondContact O-N 3.01Å; R188-C190 PolarHBondContact O-N 3.24Å
189R45Very low61.9Low200 Ų200131.2 Ų131.276%0.75563%0.63SS**  trans-44.6113.6174.9-166.4178.772.1-175.15.1105R187 D191R187-R189 PolarHBondContact O-N 3.48Å; R189-D191 IonicContact CZ-OD1 3.4Å; R189-D191 IonicContact NE-OD1 3.04Å; R189-D191 PolarHBondContact NE-OD1 3.03Å; R189-D191 IonicContact NH2-OD1 2.87Å; R189-D191 PolarHBondContact NH2-OD1 2.98Å; R189-D191 PolarHBondContact O-N 3.34Å
190C45.7Very low59.3Low102 Ų102140.6 Ų140.669%0.68968%0.675SS**  trans-62.9101.9169.7-79.90000104.1R188 L192R188-C190 PolarHBondContact O-N 3.24Å; C190-L192 PolarHBondContact O-N 3.43Å
191D47.8Very low56.5Low112 Ų112149.5 Ų149.560%0.59972%0.717SS**  trans-6691.5164.6-63.4-45000104.5R189 I193R189-D191 IonicContact CZ-OD1 3.4Å; R189-D191 IonicContact NE-OD1 3.04Å; R189-D191 PolarHBondContact NE-OD1 3.03Å; R189-D191 IonicContact NH2-OD1 2.87Å; R189-D191 PolarHBondContact NH2-OD1 2.98Å; R189-D191 PolarHBondContact O-N 3.34Å; D191-I193 PolarHBondContact O-N 2.86Å; D191-I193 VanDerWaalsContact O-N 3.15Å
192L44.8Very low53.5Low164 Ų164154.2 Ų154.286%0.85974%0.735SS**  trans-62.9109.1163.1-74.7162.8000105.5C190C190-L192 PolarHBondContact O-N 3.43Å
193I43Very low50.8Low232 Ų232165.4 Ų165.4100%1.1978%0.782SS**  trans-77.50159.7-60.5175.2000107.1D191D191-I193 PolarHBondContact O-N 2.86Å; D191-I193 VanDerWaalsContact O-N 3.15Å

Retrieved 193 of 193 residues in 322.8 ms (Link to these results)

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