A0A060WFN1_ONCMY Loading...

glutathione transferase

AlphaFold DB , UniProt , Accession A0A060WFN1, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene gstt2, Length 230 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
1M37.2Very low67.2Low243 Ų243103.7 Ų103.7100%1.19758%0.577SS**  0104.70-70.6-158.6-87.500108G3M1-G3 PolarHBondContact O-N 3.24Å
2A40.5Very low69.8Low104 Ų10498.5 Ų98.586%0.8654%0.542SS*.  trans-64.8118.2177.500000108.5R4A2-R4 PolarHBondContact O-N 3.18Å
3G45.3Very low72Confident73 Ų7391.1 Ų91.175%0.75350%0.502SS*.  trans-55.8121.9177.400000109.2M1 K5M1-G3 PolarHBondContact O-N 3.24Å; G3-K5 PolarHBondContact O-N 3.16Å
4R51Low73.9Confident247 Ų24785.9 Ų85.993%0.93247%0.473SS*.  trans-54.3113.7170.6-80.9178.7173.2160.7-2.6106.9A2 A6A2-R4 PolarHBondContact O-N 3.18Å; R4-A6 PolarHBondContact O-N 3.11Å; R4-A6 VanDerWaalsContact O-N 3.11Å
5K53.1Low75.5Confident190 Ų19082.9 Ų82.983%0.82646%0.455SS*.PPolyproline II helixtrans-49.4121.4170.1-135.2-179.8-177.8-173.60106.2G3 V7G3-K5 PolarHBondContact O-N 3.16Å; K5-V7 PolarHBondContact O-N 2.97Å; K5-V7 VanDerWaalsContact O-N 3.16Å
6A61.5Low76.8Confident87 Ų8778.4 Ų78.472%0.71943%0.431SS*.PPolyproline II helixtrans-57.1124.2178.700000107.9R4 E8R4-A6 PolarHBondContact O-N 3.11Å; R4-A6 VanDerWaalsContact O-N 3.11Å; A6-E8 PolarHBondContact O-N 3.28Å; A6-E8 VanDerWaalsContact O-N 3.14Å
7V64.9Low78.1Confident91 Ų9175.2 Ų75.255%0.55242%0.415SS*.PPolyproline II helixtrans-60.4117.3174.8170.30000107.4K5K5-V7 PolarHBondContact O-N 2.97Å; K5-V7 VanDerWaalsContact O-N 3.16Å
8E90.1Very high79.2Confident93 Ų9371.6 Ų71.644%0.43540%0.395SS..  trans-103.698.7-179.1-174.2169.9-16100109.4A6 V10 K35 N66A6-E8 PolarHBondContact O-N 3.28Å; A6-E8 VanDerWaalsContact O-N 3.14Å; E8-V10 HydrophobicContact CG-CG2 3.83Å; E8-K35 WeakPolarHBondContact OE1-CD 3.24Å; E8-K35 WeakPolarHBondContact OE1-CE 3.39Å; E8-K35 IonicContact OE1-NZ 2.67Å; E8-K35 PolarHBondContact OE1-NZ 3.48Å; E8-N66 PolarHBondContact N-OD1 2.85Å; E8-N66 PolarHBondContact O-N 3.38Å; E8-N66 VanDerWaalsContact O-N 3.09Å
9L97.9Very high80.3Confident3 Ų368.1 Ų68.12%0.01638%0.375CS..EExtended strand (participates in β ladder)trans-88.6119.3169.6178.962.5000109.3L27 I32 H34 K35 M63 V64 D65 L80 Y84L9-L27 HydrophobicContact CD2-CD2 3.71Å; L9-I32 HydrophobicContact CD2-CG2 3.72Å; L9-H34 HydrophobicContact CB-CB 4.22Å; L9-H34 HydrophobicContact CD2-CB 3.93Å; L9-H34 HydrophobicContact CG-CB 3.97Å; L9-H34 CarbonylContact O-C 3.57Å; L9-H34 VanDerWaalsContact O-CA 3.27Å; L9-H34 WeakPolarHBondContact O-CA 3.43Å; L9-K35 PolarHBondContact O-N 2.67Å; L9-M63 HydrophobicContact CD1-CG 3.54Å; L9-M63 HydrophobicContact CD1-SD 4Å; L9-V64 CarbonylContact C-O 3.49Å; L9-V64 WeakPolarHBondContact CA-O 2.98Å; L9-D65 HydrophobicContact CD1-CB 3.9Å; L9-L80 HydrophobicContact CD1-CD2 4.37Å; L9-L80 HydrophobicContact CD2-CD2 3.9Å; L9-Y84 HydrophobicContact CD2-CE2 4.23Å
10V98.4Very high81.2Confident9 Ų964.7 Ų64.76%0.05536%0.357CS..EExtended strand (participates in β ladder)trans-121.4133.2177.1-178.40000109.2E8 Y12 K35 K37 V64E8-V10 HydrophobicContact CG-CG2 3.83Å; V10-Y12 HydrophobicContact CG1-CD2 4.19Å; V10-Y12 HydrophobicContact CG1-CE2 3.72Å; V10-K35 CarbonylContact C-O 3.6Å; V10-K35 VanDerWaalsContact CA-O 3.32Å; V10-K35 WeakPolarHBondContact CA-O 3.42Å; V10-K35 HydrophobicContact CG2-CB 4.23Å; V10-K37 HydrophobicContact CG1-CB 4.47Å; V10-K37 HydrophobicContact CG1-CD 3.79Å; V10-K37 HydrophobicContact CG1-CG 3.89Å; V10-V64 HydrophobicContact CB-CB 4.38Å; V10-V64 PolarHBondContact N-O 3.03Å; V10-V64 PolarHBondContact O-N 3.36Å
11V98.7Very high82Confident1 Ų161.6 Ų61.61%0.00634%0.34CS..EExtended strand (participates in β ladder)trans-120.9132.2173.5-68.50000111.3L13 I23 L27 K35 V36 K37 V62 M63V11-L13 HydrophobicContact CB-CD1 4.21Å; V11-L13 HydrophobicContact CB-CD2 4.11Å; V11-L13 HydrophobicContact CB-CG 3.98Å; V11-L13 HydrophobicContact CG2-CD1 3.63Å; V11-L13 HydrophobicContact CG2-CD2 4.44Å; V11-L13 HydrophobicContact CG2-CG 3.88Å; V11-I23 HydrophobicContact CB-CG2 4.38Å; V11-I23 HydrophobicContact CG1-CG2 3.96Å; V11-L27 HydrophobicContact CB-CD1 4.44Å; V11-L27 HydrophobicContact CG1-CD1 3.81Å; V11-L27 HydrophobicContact CG2-CD1 3.85Å; V11-K35 PolarHBondContact N-O 2.9Å; V11-V36 HydrophobicContact CG2-CG2 3.97Å; V11-V36 WeakPolarHBondContact O-CA 3.41Å; V11-K37 PolarHBondContact O-N 2.93Å; V11-V62 CarbonylContact C-O 3.57Å; V11-V62 WeakPolarHBondContact CA-O 3.33Å; V11-M63 HydrophobicContact CG1-CB 4.25Å; V11-M63 HydrophobicContact CG1-CG 4.14Å
12Y98.7Very high85Confident41 Ų4150 Ų5016%0.16128%0.283CS..EExtended strand (participates in β ladder)trans-98.9107.9178.8-68.4-105.6000109V10 K37 V39 Y51 L54 P61 V62 V64V10-Y12 HydrophobicContact CG1-CD2 4.19Å; V10-Y12 HydrophobicContact CG1-CE2 3.72Å; Y12-K37 CarbonylContact C-O 3.57Å; Y12-K37 VanDerWaalsContact CA-O 3.25Å; Y12-K37 WeakPolarHBondContact CA-O 3.39Å; Y12-K37 HydrophobicContact CD1-CB 3.85Å; Y12-K37 HydrophobicContact CD1-CD 4.15Å; Y12-K37 HydrophobicContact CE1-CB 4.05Å; Y12-K37 HydrophobicContact CE1-CD 3.47Å; Y12-K37 VanDerWaalsContact CE1-CD 3.47Å; Y12-K37 HydrophobicContact CE1-CG 4.4Å; Y12-K37 HydrophobicContact CE2-CD 4.16Å; Y12-K37 HydrophobicContact CG-CB 4.24Å; Y12-K37 VanDerWaalsContact CZ-CD 3.47Å; Y12-K37 PolarHBondContact OH-NZ 3.15Å; Y12-K37 VanDerWaalsContact OH-NZ 3.07Å; Y12-V39 HydrophobicContact CD1-CG2 3.99Å; Y12-V39 HydrophobicContact CG-CG2 4.45Å; Y12-Y51 HydrophobicContact CD1-CD2 4.5Å; Y12-Y51 AromaticContact CD1-CE2 3.96Å; Y12-Y51 HydrophobicContact CD1-CE2 3.96Å; Y12-Y51 HydrophobicContact CG-CE2 4.35Å; Y12-L54 HydrophobicContact CD1-CD2 3.91Å; Y12-L54 HydrophobicContact CD2-CD2 3.82Å; Y12-L54 HydrophobicContact CE1-CD2 3.66Å; Y12-L54 HydrophobicContact CE2-CD2 3.62Å; Y12-L54 HydrophobicContact CG-CD2 3.96Å; Y12-P61 WeakPolarHBondContact O-CA 3.4Å; Y12-V62 HydrophobicContact CD2-CB 4.39Å; Y12-V62 PolarHBondContact N-O 3.4Å; Y12-V62 PolarHBondContact O-N 2.8Å; Y12-V64 HydrophobicContact CD2-CG2 4.33Å; Y12-V64 HydrophobicContact CE2-CG2 3.77Å
13L98.6Very high87.7Confident2 Ų245.1 Ų45.11%0.0124%0.242CC..EExtended strand (participates in β ladder)trans-131.8150.7-165.4-56.4-177.4000112.6V11 C20 I23 H24 V36 K37 T38 V39 P61V11-L13 HydrophobicContact CB-CD1 4.21Å; V11-L13 HydrophobicContact CB-CD2 4.11Å; V11-L13 HydrophobicContact CB-CG 3.98Å; V11-L13 HydrophobicContact CG2-CD1 3.63Å; V11-L13 HydrophobicContact CG2-CD2 4.44Å; V11-L13 HydrophobicContact CG2-CG 3.88Å; L13-C20 HydrophobicContact CB-CB 4.09Å; L13-C20 HydrophobicContact CD2-CB 3.95Å; L13-I23 HydrophobicContact CD2-CB 4.15Å; L13-I23 HydrophobicContact CD2-CG2 4.16Å; L13-H24 HydrophobicContact CD1-CB 4Å; L13-V36 HydrophobicContact CB-CG1 4.3Å; L13-V36 HydrophobicContact CD1-CG1 4.14Å; L13-V36 HydrophobicContact CG-CG1 4.39Å; L13-K37 PolarHBondContact N-O 3.18Å; L13-T38 CarbonylContact O-C 3.36Å; L13-T38 WeakPolarHBondContact O-CA 3.31Å; L13-V39 PolarHBondContact O-N 3.15Å; L13-P61 HydrophobicContact CD2-CB 3.57Å
14D98.3Very high90.3Very high19 Ų1943 Ų4310%0.10221%0.213CC..  trans-126.2118.2158.8-168.4-45.7000108.1L16 S17 C20 V39 I41 V60D14-L16 PolarHBondContact O-N 2.95Å; D14-L16 VanDerWaalsContact O-N 3.11Å; D14-L16 WeakPolarHBondContact OD1-CB 3.3Å; D14-L16 PolarHBondContact OD1-N 2.78Å; D14-S17 VanDerWaalsContact O-CB 3.22Å; D14-S17 WeakPolarHBondContact O-CB 3.37Å; D14-S17 PolarHBondContact O-N 3.47Å; D14-C20 WeakPolarHBondContact O-CB 3.48Å; D14-V39 VanDerWaalsContact CB-O 3.29Å; D14-V39 WeakPolarHBondContact CB-O 3.44Å; D14-V39 VanDerWaalsContact OD2-O 3.08Å; D14-I41 HydrophobicContact CB-CD1 4.05Å; D14-I41 HydrophobicContact CB-CG1 4.37Å; D14-I41 HydrophobicContact CB-CG2 4.22Å; D14-I41 VanDerWaalsContact OD2-CG1 3.3Å; D14-I41 WeakPolarHBondContact OD2-CG1 3.27Å; D14-I41 PolarHBondContact OD2-N 3.14Å; D14-I41 VanDerWaalsContact OD2-N 3.17Å; D14-V60 HydrophobicContact CB-CG2 4.35Å
15L98.1Very high92.6Very high40 Ų4031.3 Ų31.321%0.20917%0.168CC..THydrogen-bonded Turntrans-69-8.2-176.2-63.1-175.8000113.9R21 H24 V218L15-R21 HydrophobicContact CB-CG 4.47Å; L15-R21 HydrophobicContact CD2-CG 4.35Å; L15-R21 WeakPolarHBondContact O-CD 3.48Å; L15-R21 VanDerWaalsContact O-CG 3.24Å; L15-R21 WeakPolarHBondContact O-CG 3.48Å; L15-R21 PolarHBondContact O-NH1 3.35Å; L15-H24 HydrophobicContact CD2-CB 3.83Å; L15-V218 HydrophobicContact CB-CG2 3.95Å
16L96.9Very high94.7Very high12 Ų1222.2 Ų22.26%0.06313%0.129CC..THydrogen-bonded Turntrans-66.9-28.7165.4-173.759.4000112.1D14 R21 R42 F120 Q182 V218 L219 L222D14-L16 PolarHBondContact O-N 2.95Å; D14-L16 VanDerWaalsContact O-N 3.11Å; D14-L16 WeakPolarHBondContact OD1-CB 3.3Å; D14-L16 PolarHBondContact OD1-N 2.78Å; L16-R21 VanDerWaalsContact C-NH1 3.3Å; L16-R21 PolarHBondContact O-NH1 3.13Å; L16-R42 HydrophobicContact CD2-CG 4.33Å; L16-F120 HydrophobicContact CD1-CE1 4.05Å; L16-F120 HydrophobicContact CD1-CZ 3.75Å; L16-Q182 PolarHBondContact O-NE2 3.47Å; L16-Q182 VanDerWaalsContact O-NE2 3.13Å; L16-Q182 PolarHBondContact O-OE1 3.26Å; L16-V218 HydrophobicContact CB-CG1 4.28Å; L16-V218 HydrophobicContact CD1-CG1 4.11Å; L16-L219 HydrophobicContact CD1-CD2 4.08Å; L16-L222 HydrophobicContact CD1-CD1 3.63Å
17S98.3Very high96.5Very high23 Ų2318.1 Ų18.116%0.16110%0.095CC..SBendtrans-81.4126.9-178.1-1780000111.8D14 P19 C20 R21D14-S17 VanDerWaalsContact O-CB 3.22Å; D14-S17 WeakPolarHBondContact O-CB 3.37Å; D14-S17 PolarHBondContact O-N 3.47Å; S17-P19 VanDerWaalsContact OG-CD 3.31Å; S17-P19 WeakPolarHBondContact OG-CD 3.49Å; S17-P19 VanDerWaalsContact OG-CG 3.3Å; S17-P19 WeakPolarHBondContact OG-CG 3.19Å; S17-C20 WeakPolarHBondContact O-CB 3.37Å; S17-C20 PolarHBondContact O-N 3.08Å; S17-C20 VanDerWaalsContact O-N 3.17Å; S17-R21 PolarHBondContact O-N 3.23Å; S17-R21 VanDerWaalsContact O-N 3.16Å
18Q98.6Very high98.1Very high11 Ų1116.9 Ų16.95%0.0519%0.085CC..Hα-helixtrans-49.1-56.5177-55.9160.6-19.900113.1C20 R21 A22 R113 E179 Q182Q18-C20 VanDerWaalsContact C-N 3.27Å; Q18-C20 PolarHBondContact O-N 3.07Å; Q18-R21 PolarHBondContact O-N 2.77Å; Q18-A22 PolarHBondContact O-N 2.87Å; Q18-R113 VanDerWaalsContact OE1-CG 3.32Å; Q18-R113 PolarHBondContact OE1-O 3.17Å; Q18-E179 HydrophobicContact CB-CG 4.22Å; Q18-Q182 HydrophobicContact CG-CB 3.95Å; Q18-Q182 HydrophobicContact CG-CG 4.06Å
19P98.6Very high98.4Very high4 Ų414.1 Ų14.13%0.0268%0.076CC..Hα-helixtrans-63.5-30.7-179.326-39000113.6S17 A22 I23 P61 S73S17-P19 VanDerWaalsContact OG-CD 3.31Å; S17-P19 WeakPolarHBondContact OG-CD 3.49Å; S17-P19 VanDerWaalsContact OG-CG 3.3Å; S17-P19 WeakPolarHBondContact OG-CG 3.19Å; P19-A22 PolarHBondContact O-N 3.42Å; P19-I23 WeakPolarHBondContact O-CG1 3.49Å; P19-I23 PolarHBondContact O-N 3.45Å; P19-I23 VanDerWaalsContact O-N 3.17Å; P19-P61 HydrophobicContact CB-CG 4.26Å; P19-S73 VanDerWaalsContact CB-CB 3.41Å; P19-S73 VanDerWaalsContact CB-OG 3.29Å; P19-S73 WeakPolarHBondContact CB-OG 3.4Å
20C98.8Very high98.4Very high0 Ų015.2 Ų15.20%08%0.082CC..Hα-helixtrans-68.4-37.9178.6-68.80000111.8L13 D14 S17 Q18 A22 I23 H24 V60L13-C20 HydrophobicContact CB-CB 4.09Å; L13-C20 HydrophobicContact CD2-CB 3.95Å; D14-C20 WeakPolarHBondContact O-CB 3.48Å; S17-C20 WeakPolarHBondContact O-CB 3.37Å; S17-C20 PolarHBondContact O-N 3.08Å; S17-C20 VanDerWaalsContact O-N 3.17Å; Q18-C20 VanDerWaalsContact C-N 3.27Å; Q18-C20 PolarHBondContact O-N 3.07Å; C20-A22 VanDerWaalsContact C-N 3.32Å; C20-I23 PolarHBondContact O-N 2.75Å; C20-H24 WeakPolarHBondContact O-CB 3.44Å; C20-H24 PolarHBondContact O-N 2.87Å; C20-V60 VanDerWaalsContact SG-CB 3.59Å; C20-V60 VanDerWaalsContact SG-CG2 3.56Å
21R98.8Very high98.3Very high0 Ų023.5 Ų23.50%012%0.117CC..Hα-helixtrans-62.6-40.2173.4-68.3-167.1-62-81.20111.5L15 L16 S17 Q18 H24 I25 C178 Q182 A215 H216L15-R21 HydrophobicContact CB-CG 4.47Å; L15-R21 HydrophobicContact CD2-CG 4.35Å; L15-R21 WeakPolarHBondContact O-CD 3.48Å; L15-R21 VanDerWaalsContact O-CG 3.24Å; L15-R21 WeakPolarHBondContact O-CG 3.48Å; L15-R21 PolarHBondContact O-NH1 3.35Å; L16-R21 VanDerWaalsContact C-NH1 3.3Å; L16-R21 PolarHBondContact O-NH1 3.13Å; S17-R21 PolarHBondContact O-N 3.23Å; S17-R21 VanDerWaalsContact O-N 3.16Å; Q18-R21 PolarHBondContact O-N 2.77Å; R21-H24 PolarHBondContact O-N 3.03Å; R21-I25 WeakPolarHBondContact O-CB 3.27Å; R21-I25 VanDerWaalsContact O-CG1 3.22Å; R21-I25 WeakPolarHBondContact O-CG1 3.36Å; R21-I25 PolarHBondContact O-N 3.22Å; R21-C178 HydrophobicContact CB-CB 4.37Å; R21-C178 PolarHBondContact NH2-O 2.91Å; R21-Q182 VanDerWaalsContact NH1-OE1 3.11Å; R21-A215 HydrophobicContact CB-CB 4.24Å; R21-A215 WeakPolarHBondContact CD-O 3.46Å; R21-A215 HydrophobicContact CG-CB 4.37Å; R21-A215 WeakPolarHBondContact CG-O 3.24Å; R21-H216 VanDerWaalsContact CD-CD2 3.46Å; R21-H216 WeakPolarHBondContact CD-CD2 3.27Å; R21-H216 PolarHBondContact NE-CD2 3.42Å; R21-H216 PolarHBondContact NE-NE2 2.92Å
22A98.9Very high98.3Very high0 Ų024 Ų240%012%0.119CC..Hα-helixtrans-59.6-48.7176.400000111.4Q18 P19 C20 H24 I25 F26 L77 L174 L175 C178Q18-A22 PolarHBondContact O-N 2.87Å; P19-A22 PolarHBondContact O-N 3.42Å; C20-A22 VanDerWaalsContact C-N 3.32Å; A22-H24 PolarHBondContact O-N 2.82Å; A22-I25 PolarHBondContact O-N 2.87Å; A22-F26 WeakPolarHBondContact O-CB 3.38Å; A22-F26 PolarHBondContact O-N 2.92Å; A22-L77 HydrophobicContact CB-CD1 4.22Å; A22-L174 HydrophobicContact CB-CD2 4.46Å; A22-L174 HydrophobicContact CB-CG 4.07Å; A22-L175 HydrophobicContact CB-CD2 3.95Å; A22-C178 HydrophobicContact CB-CB 4.44Å
23I98.9Very high98.2Very high1 Ų127.2 Ų27.21%0.00515%0.145CC..Hα-helixtrans-59.2-48.6175.2-59.8-49.1000111.6V11 L13 P19 C20 I25 F26 L27 P61 I76 L77V11-I23 HydrophobicContact CB-CG2 4.38Å; V11-I23 HydrophobicContact CG1-CG2 3.96Å; L13-I23 HydrophobicContact CD2-CB 4.15Å; L13-I23 HydrophobicContact CD2-CG2 4.16Å; P19-I23 WeakPolarHBondContact O-CG1 3.49Å; P19-I23 PolarHBondContact O-N 3.45Å; P19-I23 VanDerWaalsContact O-N 3.17Å; C20-I23 PolarHBondContact O-N 2.75Å; I23-I25 VanDerWaalsContact C-N 3.34Å; I23-I25 PolarHBondContact O-N 3.06Å; I23-F26 PolarHBondContact O-N 2.63Å; I23-L27 HydrophobicContact CG2-CD1 3.68Å; I23-L27 HydrophobicContact CG2-CG 4.31Å; I23-L27 WeakPolarHBondContact O-CG 3.49Å; I23-L27 PolarHBondContact O-N 2.91Å; I23-P61 HydrophobicContact CG1-CB 4.16Å; I23-P61 HydrophobicContact CG1-CG 4.01Å; I23-I76 HydrophobicContact CD1-CB 3.95Å; I23-I76 HydrophobicContact CD1-CG2 3.54Å; I23-I76 HydrophobicContact CG1-CG2 4.29Å; I23-L77 HydrophobicContact CD1-CD1 4.37Å; I23-L77 HydrophobicContact CD1-CD2 3.57Å; I23-L77 HydrophobicContact CD1-CG 3.52Å
24H98.8Very high98.1Very high30 Ų3029.4 Ų29.414%0.13916%0.156CC..Hα-helixtrans-58.7-45.9-179.9-178.1-88.4000111.7L13 L15 C20 R21 A22 N28L13-H24 HydrophobicContact CD1-CB 4Å; L15-H24 HydrophobicContact CD2-CB 3.83Å; C20-H24 WeakPolarHBondContact O-CB 3.44Å; C20-H24 PolarHBondContact O-N 2.87Å; R21-H24 PolarHBondContact O-N 3.03Å; A22-H24 PolarHBondContact O-N 2.82Å; H24-N28 PolarHBondContact CE1-ND2 3.22Å; H24-N28 PolarHBondContact ND1-ND2 3.44Å; H24-N28 PolarHBondContact NE2-ND2 3.43Å; H24-N28 WeakPolarHBondContact O-CB 3.39Å; H24-N28 PolarHBondContact O-N 3.25Å; H24-N28 PolarHBondContact O-ND2 3.03Å
25I98.9Very high98.1Very high0 Ų034.3 Ų34.30%018%0.176CC..Hα-helixtrans-62.8-50.2177.7-70.5170.5000110.2R21 A22 I23 L27 N28 C29 L174 L208 A215R21-I25 WeakPolarHBondContact O-CB 3.27Å; R21-I25 VanDerWaalsContact O-CG1 3.22Å; R21-I25 WeakPolarHBondContact O-CG1 3.36Å; R21-I25 PolarHBondContact O-N 3.22Å; A22-I25 PolarHBondContact O-N 2.87Å; I23-I25 VanDerWaalsContact C-N 3.34Å; I23-I25 PolarHBondContact O-N 3.06Å; I25-L27 VanDerWaalsContact C-N 3.33Å; I25-L27 PolarHBondContact O-N 3.38Å; I25-N28 PolarHBondContact O-N 3.43Å; I25-C29 WeakPolarHBondContact O-CB 3.41Å; I25-C29 PolarHBondContact O-N 3.35Å; I25-C29 PolarHBondContact O-SG 3.17Å; I25-L174 HydrophobicContact CB-CD1 3.84Å; I25-L174 HydrophobicContact CD1-CD1 4.16Å; I25-L174 HydrophobicContact CG2-CD1 3.53Å; I25-L208 HydrophobicContact CG2-CB 4.37Å; I25-L208 HydrophobicContact CG2-CD1 3.99Å; I25-L208 HydrophobicContact CG2-CD2 3.5Å; I25-L208 HydrophobicContact CG2-CG 4.15Å; I25-A215 HydrophobicContact CD1-CB 3.74Å; I25-A215 HydrophobicContact CG1-CB 3.39Å
26F98.9Very high98.1Very high0 Ų035.4 Ų35.40%018%0.184CC..Hα-helixtrans-56.1-47-177-172.7-92.1000112.2A22 I23 C29 N30 I32 L77 L80 A81 V86 W90 L171 L174A22-F26 WeakPolarHBondContact O-CB 3.38Å; A22-F26 PolarHBondContact O-N 2.92Å; I23-F26 PolarHBondContact O-N 2.63Å; F26-C29 PolarHBondContact O-SG 2.85Å; F26-C29 VanDerWaalsContact O-SG 3.35Å; F26-N30 WeakPolarHBondContact O-CB 3.29Å; F26-N30 PolarHBondContact O-N 3.21Å; F26-N30 PolarHBondContact O-ND2 3.34Å; F26-I32 HydrophobicContact CD1-CD1 4.2Å; F26-I32 HydrophobicContact CE1-CD1 3.84Å; F26-L77 HydrophobicContact CB-CD2 3.6Å; F26-L77 HydrophobicContact CD1-CD2 4.31Å; F26-L77 HydrophobicContact CD2-CD2 4Å; F26-L77 HydrophobicContact CG-CD2 3.7Å; F26-L80 HydrophobicContact CD1-CB 4.05Å; F26-L80 HydrophobicContact CD1-CD1 4.15Å; F26-L80 HydrophobicContact CE1-CB 3.61Å; F26-A81 HydrophobicContact CE2-CB 4.3Å; F26-A81 HydrophobicContact CZ-CB 3.75Å; F26-V86 HydrophobicContact CZ-CG1 4.43Å; F26-V86 HydrophobicContact CZ-CG2 4.17Å; F26-W90 HydrophobicContact CD2-CD2 4.11Å; F26-W90 HydrophobicContact CD2-CE3 4.2Å; F26-W90 HydrophobicContact CE2-CB 3.99Å; F26-W90 AromaticContact CE2-CD1 3.97Å; F26-W90 AromaticContact CE2-CD2 3.65Å; F26-W90 HydrophobicContact CE2-CD2 3.65Å; F26-W90 HydrophobicContact CE2-CE3 4.06Å; F26-W90 AromaticContact CE2-CG 3.61Å; F26-W90 HydrophobicContact CE2-CG 3.61Å; F26-W90 HydrophobicContact CZ-CG 4.33Å; F26-L171 HydrophobicContact CD2-CD2 3.71Å; F26-L171 HydrophobicContact CE2-CD2 3.56Å; F26-L171 HydrophobicContact CZ-CD2 4.5Å; F26-L174 HydrophobicContact CB-CD2 3.8Å; F26-L174 HydrophobicContact CD2-CD2 3.94Å; F26-L174 HydrophobicContact CG-CD2 4.36Å
27L98.6Very high98.2Very high0 Ų039.6 Ų39.60%020%0.202CC..Hα-helixtrans-64.8-43-179.6-68.8169000111.7L9 V11 I23 I25 K31 I32 H34 L80L9-L27 HydrophobicContact CD2-CD2 3.71Å; V11-L27 HydrophobicContact CB-CD1 4.44Å; V11-L27 HydrophobicContact CG1-CD1 3.81Å; V11-L27 HydrophobicContact CG2-CD1 3.85Å; I23-L27 HydrophobicContact CG2-CD1 3.68Å; I23-L27 HydrophobicContact CG2-CG 4.31Å; I23-L27 WeakPolarHBondContact O-CG 3.49Å; I23-L27 PolarHBondContact O-N 2.91Å; I25-L27 VanDerWaalsContact C-N 3.33Å; I25-L27 PolarHBondContact O-N 3.38Å; L27-K31 PolarHBondContact O-N 3.09Å; L27-K31 VanDerWaalsContact O-N 3.15Å; L27-I32 HydrophobicContact CD2-CB 3.89Å; L27-I32 HydrophobicContact CD2-CD1 4.03Å; L27-I32 HydrophobicContact CD2-CG2 3.81Å; L27-I32 PolarHBondContact O-N 2.76Å; L27-H34 HydrophobicContact CD1-CB 4.4Å; L27-L80 HydrophobicContact CD2-CD1 3.76Å; L27-L80 HydrophobicContact CD2-CD2 4.09Å; L27-L80 HydrophobicContact CG-CD1 4.23Å
28N98.3Very high98.1Very high65 Ų6543.7 Ų43.735%0.34823%0.226SC..Hα-helixtrans-73.5-43.4-177.8-77.4-66.6000112.9H24 I25 N30 K31 S211H24-N28 PolarHBondContact CE1-ND2 3.22Å; H24-N28 PolarHBondContact ND1-ND2 3.44Å; H24-N28 PolarHBondContact NE2-ND2 3.43Å; H24-N28 WeakPolarHBondContact O-CB 3.39Å; H24-N28 PolarHBondContact O-N 3.25Å; H24-N28 PolarHBondContact O-ND2 3.03Å; I25-N28 PolarHBondContact O-N 3.43Å; N28-N30 VanDerWaalsContact C-N 3.3Å; N28-N30 PolarHBondContact O-N 3.2Å; N28-K31 PolarHBondContact O-N 3.12Å; N28-S211 WeakPolarHBondContact CB-OG 3.24Å
29C97.1Very high98.1Very high36 Ų3643.5 Ų43.524%0.24323%0.225CC..Hα-helixtrans-67.2-33.5-179.5680000112I25 F26 K31I25-C29 WeakPolarHBondContact O-CB 3.41Å; I25-C29 PolarHBondContact O-N 3.35Å; I25-C29 PolarHBondContact O-SG 3.17Å; F26-C29 PolarHBondContact O-SG 2.85Å; F26-C29 VanDerWaalsContact O-SG 3.35Å; C29-K31 VanDerWaalsContact C-N 3.33Å
30N97.6Very high98Very high26 Ų2644.3 Ų44.314%0.13923%0.232CC..THydrogen-bonded Turntrans-90.36.2176.2-64.9-66.9000113.7F26 N28 I32 V86 P87 W90F26-N30 WeakPolarHBondContact O-CB 3.29Å; F26-N30 PolarHBondContact O-N 3.21Å; F26-N30 PolarHBondContact O-ND2 3.34Å; N28-N30 VanDerWaalsContact C-N 3.3Å; N28-N30 PolarHBondContact O-N 3.2Å; N30-I32 HydrophobicContact CB-CD1 4.17Å; N30-I32 HydrophobicContact CB-CG1 4.09Å; N30-I32 PolarHBondContact O-N 3.28Å; N30-I32 VanDerWaalsContact O-N 3.15Å; N30-V86 HydrophobicContact CB-CB 4.36Å; N30-V86 HydrophobicContact CB-CG1 3.66Å; N30-P87 WeakPolarHBondContact OD1-CD 3.2Å; N30-W90 PolarHBondContact ND2-NE1 3.38Å; N30-W90 PolarHBondContact OD1-NE1 3.36Å
31K97.1Very high97.8Very high183 Ų18346.8 Ų46.880%0.79625%0.245SC*.THydrogen-bonded Turntrans53.634.9177.2-54.3176.9-177.7175.10113.6L27 N28 C29 P33L27-K31 PolarHBondContact O-N 3.09Å; L27-K31 VanDerWaalsContact O-N 3.15Å; N28-K31 PolarHBondContact O-N 3.12Å; C29-K31 VanDerWaalsContact C-N 3.33Å; K31-P33 WeakPolarHBondContact O-CD 3.37Å
32I97.3Very high97.4Very high11 Ų1154.7 Ų54.76%0.05628%0.275CS..  trans-74.9122.4177.8-63.3171.5000108.3L9 F26 L27 N30 H34 Y84 V86L9-I32 HydrophobicContact CD2-CG2 3.72Å; F26-I32 HydrophobicContact CD1-CD1 4.2Å; F26-I32 HydrophobicContact CE1-CD1 3.84Å; L27-I32 HydrophobicContact CD2-CB 3.89Å; L27-I32 HydrophobicContact CD2-CD1 4.03Å; L27-I32 HydrophobicContact CD2-CG2 3.81Å; L27-I32 PolarHBondContact O-N 2.76Å; N30-I32 HydrophobicContact CB-CD1 4.17Å; N30-I32 HydrophobicContact CB-CG1 4.09Å; N30-I32 PolarHBondContact O-N 3.28Å; N30-I32 VanDerWaalsContact O-N 3.15Å; I32-H34 PolarHBondContact O-N 3.32Å; I32-H34 PolarHBondContact O-ND1 2.82Å; I32-Y84 HydrophobicContact CD1-CD2 4.24Å; I32-Y84 HydrophobicContact CD1-CG 3.99Å; I32-Y84 HydrophobicContact CG1-CD1 4.35Å; I32-Y84 HydrophobicContact CG1-CG 4.23Å; I32-Y84 HydrophobicContact CG2-CD1 3.77Å; I32-Y84 HydrophobicContact CG2-CD2 4.38Å; I32-Y84 HydrophobicContact CG2-CE1 3.68Å; I32-Y84 HydrophobicContact CG2-CE2 4.32Å; I32-Y84 HydrophobicContact CG2-CG 4.12Å; I32-V86 HydrophobicContact CD1-CG1 3.99Å; I32-V86 HydrophobicContact CG1-CG1 4.43Å
33P96.6Very high97.1Very high108 Ų10862.9 Ų62.970%0.70131%0.31SS*.  trans-64.1125176.5-21.533.8000111.3K31K31-P33 WeakPolarHBondContact O-CD 3.37Å
34H97.5Very high96.9Very high49 Ų4964 Ų6423%0.22732%0.323CS..  trans-156.1164.7-177.665.4-75.9000111.7L9 L27 I32L9-H34 HydrophobicContact CB-CB 4.22Å; L9-H34 HydrophobicContact CD2-CB 3.93Å; L9-H34 HydrophobicContact CG-CB 3.97Å; L9-H34 CarbonylContact O-C 3.57Å; L9-H34 VanDerWaalsContact O-CA 3.27Å; L9-H34 WeakPolarHBondContact O-CA 3.43Å; L27-H34 HydrophobicContact CD1-CB 4.4Å; I32-H34 PolarHBondContact O-N 3.32Å; I32-H34 PolarHBondContact O-ND1 2.82Å
35K98.2Very high96.8Very high121 Ų12166.2 Ų66.253%0.52633%0.333SS..EExtended strand (participates in β ladder)trans-111.8136.7168-63.5179.4-176.1173.90109.7E8 L9 V10 V11E8-K35 WeakPolarHBondContact OE1-CD 3.24Å; E8-K35 WeakPolarHBondContact OE1-CE 3.39Å; E8-K35 IonicContact OE1-NZ 2.67Å; E8-K35 PolarHBondContact OE1-NZ 3.48Å; L9-K35 PolarHBondContact O-N 2.67Å; V10-K35 CarbonylContact C-O 3.6Å; V10-K35 VanDerWaalsContact CA-O 3.32Å; V10-K35 WeakPolarHBondContact CA-O 3.42Å; V10-K35 HydrophobicContact CG2-CB 4.23Å; V11-K35 PolarHBondContact N-O 2.9Å
36V97.9Very high96.8Very high63 Ų6367 Ų6738%0.38234%0.337SS..EExtended strand (participates in β ladder)trans-99.9126172.7-178.10000109.1V11 L13V11-V36 HydrophobicContact CG2-CG2 3.97Å; V11-V36 WeakPolarHBondContact O-CA 3.41Å; L13-V36 HydrophobicContact CB-CG1 4.3Å; L13-V36 HydrophobicContact CD1-CG1 4.14Å; L13-V36 HydrophobicContact CG-CG1 4.39Å
37K98Very high96.7Very high101 Ų10175.5 Ų75.544%0.43937%0.369SS..EExtended strand (participates in β ladder)trans-104.2110.9165.3-73.8-176.9-179.7176.70108.6V10 V11 Y12 L13V10-K37 HydrophobicContact CG1-CB 4.47Å; V10-K37 HydrophobicContact CG1-CD 3.79Å; V10-K37 HydrophobicContact CG1-CG 3.89Å; V11-K37 PolarHBondContact O-N 2.93Å; Y12-K37 CarbonylContact C-O 3.57Å; Y12-K37 VanDerWaalsContact CA-O 3.25Å; Y12-K37 WeakPolarHBondContact CA-O 3.39Å; Y12-K37 HydrophobicContact CD1-CB 3.85Å; Y12-K37 HydrophobicContact CD1-CD 4.15Å; Y12-K37 HydrophobicContact CE1-CB 4.05Å; Y12-K37 HydrophobicContact CE1-CD 3.47Å; Y12-K37 VanDerWaalsContact CE1-CD 3.47Å; Y12-K37 HydrophobicContact CE1-CG 4.4Å; Y12-K37 HydrophobicContact CE2-CD 4.16Å; Y12-K37 HydrophobicContact CG-CB 4.24Å; Y12-K37 VanDerWaalsContact CZ-CD 3.47Å; Y12-K37 PolarHBondContact OH-NZ 3.15Å; Y12-K37 VanDerWaalsContact OH-NZ 3.07Å; L13-K37 PolarHBondContact N-O 3.18Å
38T98Very high96.6Very high109 Ų10977.9 Ų77.967%0.66938%0.384SS*.EExtended strand (participates in β ladder)trans-68.5135176-55.80000109.9L13L13-T38 CarbonylContact O-C 3.36Å; L13-T38 WeakPolarHBondContact O-CA 3.31Å
39V97.9Very high96.6Very high6 Ų678.9 Ų78.94%0.03639%0.394CS..  trans-121.6105175.1-179.10000107.9Y12 L13 D14 I41 E45 N46 Y51 V60Y12-V39 HydrophobicContact CD1-CG2 3.99Å; Y12-V39 HydrophobicContact CG-CG2 4.45Å; L13-V39 PolarHBondContact O-N 3.15Å; D14-V39 VanDerWaalsContact CB-O 3.29Å; D14-V39 WeakPolarHBondContact CB-O 3.44Å; D14-V39 VanDerWaalsContact OD2-O 3.08Å; V39-I41 PolarHBondContact O-N 3.25Å; V39-E45 HydrophobicContact CG1-CB 3.92Å; V39-N46 HydrophobicContact CG1-CB 3.91Å; V39-Y51 HydrophobicContact CB-CE2 4.5Å; V39-Y51 HydrophobicContact CG1-CD2 4.39Å; V39-Y51 HydrophobicContact CG1-CE2 4.05Å; V39-Y51 HydrophobicContact CG2-CD2 4.34Å; V39-Y51 HydrophobicContact CG2-CE2 3.66Å; V39-V60 HydrophobicContact CB-CG1 3.87Å; V39-V60 HydrophobicContact CG1-CG1 4Å; V39-V60 HydrophobicContact CG2-CG1 4.19Å
40A95.9Very high96.6Very high21 Ų2183.2 Ų83.217%0.17441%0.411CS..  trans-74.390.3-179.300000110.8R42 K43 G44 E45A40-R42 PolarHBondContact O-N 3.22Å; A40-K43 HydrophobicContact CB-CB 4.09Å; A40-K43 HydrophobicContact CB-CD 4.02Å; A40-K43 HydrophobicContact CB-CG 4.05Å; A40-K43 WeakPolarHBondContact O-CA 3.36Å; A40-K43 PolarHBondContact O-N 2.91Å; A40-G44 PolarHBondContact O-N 2.82Å; A40-E45 HydrophobicContact CB-CG 4.32Å; A40-E45 PolarHBondContact N-OE2 3.4Å; A40-E45 PolarHBondContact O-N 3.37Å
41I94.1Very high96.6Very high52 Ų5282.7 Ų82.727%0.26741%0.407SS..G310 helixtrans-60.4-31.3-177.661.3-165.1000112.5D14 V39 K43 G44 N46 V60D14-I41 HydrophobicContact CB-CD1 4.05Å; D14-I41 HydrophobicContact CB-CG1 4.37Å; D14-I41 HydrophobicContact CB-CG2 4.22Å; D14-I41 VanDerWaalsContact OD2-CG1 3.3Å; D14-I41 WeakPolarHBondContact OD2-CG1 3.27Å; D14-I41 PolarHBondContact OD2-N 3.14Å; D14-I41 VanDerWaalsContact OD2-N 3.17Å; V39-I41 PolarHBondContact O-N 3.25Å; I41-K43 PolarHBondContact O-N 3.39Å; I41-G44 PolarHBondContact O-N 2.75Å; I41-G44 VanDerWaalsContact O-N 3.09Å; I41-N46 WeakPolarHBondContact CA-OD1 3.28Å; I41-N46 HydrophobicContact CG2-CB 4.35Å; I41-V60 HydrophobicContact CG2-CG1 4.34Å; I41-V60 HydrophobicContact CG2-CG2 3.87Å
42R90.3Very high96.6Very high167 Ų16776 Ų7663%0.6338%0.381SS*.G310 helixtrans-69.3-18.3176.2-65.9-169.7-65.9150.5-0.6113.6L16 A40L16-R42 HydrophobicContact CD2-CG 4.33Å; A40-R42 PolarHBondContact O-N 3.22Å
43K93.7Very high96.5Very high171 Ų17184 Ų8474%0.74342%0.416SS*.G310 helixtrans-97.90.4173-62.2-175.2179.8-179.40112.6A40 I41 E45A40-K43 HydrophobicContact CB-CB 4.09Å; A40-K43 HydrophobicContact CB-CD 4.02Å; A40-K43 HydrophobicContact CB-CG 4.05Å; A40-K43 WeakPolarHBondContact O-CA 3.36Å; A40-K43 PolarHBondContact O-N 2.91Å; I41-K43 PolarHBondContact O-N 3.39Å; K43-E45 VanDerWaalsContact C-N 3.35Å; K43-E45 HydrophobicContact CB-CG 4.41Å
44G94.7Very high96.5Very high25 Ų2580.8 Ų80.826%0.25839%0.392SS..THydrogen-bonded Turntrans75.516.8-179.600000114.9A40 I41 N46 R47A40-G44 PolarHBondContact O-N 2.82Å; I41-G44 PolarHBondContact O-N 2.75Å; I41-G44 VanDerWaalsContact O-N 3.09Å; G44-N46 PolarHBondContact O-N 3.18Å; G44-N46 VanDerWaalsContact O-N 3.15Å; G44-R47 WeakPolarHBondContact O-CB 3.35Å; G44-R47 PolarHBondContact O-N 3.24Å
45E97.4Very high96.5Very high76 Ų7678.7 Ų78.736%0.35538%0.383SS..G310 helixtrans-60.3-26-179.5-70.9178.1-169.100112.9V39 A40 K43 R47 Y51V39-E45 HydrophobicContact CG1-CB 3.92Å; A40-E45 HydrophobicContact CB-CG 4.32Å; A40-E45 PolarHBondContact N-OE2 3.4Å; A40-E45 PolarHBondContact O-N 3.37Å; K43-E45 VanDerWaalsContact C-N 3.35Å; K43-E45 HydrophobicContact CB-CG 4.41Å; E45-R47 PolarHBondContact O-N 3.28Å; E45-Y51 WeakPolarHBondContact O-CB 3.32Å
46N97.4Very high96.4Very high18 Ų1877.9 Ų77.910%0.09639%0.39CS..G310 helixtrans-72.9-3.5173.361.9-60.8000114.2V39 I41 G44 Y51 Q58V39-N46 HydrophobicContact CG1-CB 3.91Å; I41-N46 WeakPolarHBondContact CA-OD1 3.28Å; I41-N46 HydrophobicContact CG2-CB 4.35Å; G44-N46 PolarHBondContact O-N 3.18Å; G44-N46 VanDerWaalsContact O-N 3.15Å; N46-Y51 HydrophobicContact CB-CD1 4.06Å; N46-Y51 HydrophobicContact CB-CE1 3.95Å; N46-Y51 WeakPolarHBondContact O-CD1 3.49Å; N46-Q58 PolarHBondContact ND2-O 2.81Å; N46-Q58 WeakPolarHBondContact O-CA 3.2Å; N46-Q58 WeakPolarHBondContact O-CB 3.42Å; N46-Q58 WeakPolarHBondContact O-CG 3.42Å
47R97.2Very high96.4Very high177 Ų17780.1 Ų80.167%0.66840%0.398SS*.G310 helixtrans-112.52.8-177.9-58.8-176.7174.9177-1.4113.4G44 E45G44-R47 WeakPolarHBondContact O-CB 3.35Å; G44-R47 PolarHBondContact O-N 3.24Å; E45-R47 PolarHBondContact O-N 3.28Å
48T97.7Very high96.4Very high50 Ų5078.6 Ų78.631%0.30739%0.392SS..SBendtrans-67.8157.5177.276.70000110.8E50 Y51 T52T48-E50 WeakPolarHBondContact CB-OE2 3.49Å; T48-E50 PolarHBondContact O-N 2.89Å; T48-E50 PolarHBondContact OG1-OE2 3.37Å; T48-Y51 PolarHBondContact O-N 2.96Å; T48-Y51 PolarHBondContact OG1-N 2.98Å; T48-Y51 VanDerWaalsContact OG1-N 3.16Å; T48-T52 WeakPolarHBondContact O-CB 3.49Å; T48-T52 PolarHBondContact O-N 3.44Å; T48-T52 PolarHBondContact O-OG1 2.91Å
49P97.9Very high96.4Very high87 Ų8778.9 Ų78.957%0.56538%0.384SS*.Hα-helixtrans-56.1-37.7174-26.136000112.7T52 K53P49-T52 PolarHBondContact O-N 3.22Å; P49-K53 WeakPolarHBondContact O-CG 3.5Å; P49-K53 PolarHBondContact O-N 3.47Å
50E95.6Very high96.4Very high127 Ų12779.3 Ų79.359%0.59339%0.387SS*.Hα-helixtrans-65.6-44.9178.9-57.969.8-146.900111.1T48 K53 L54T48-E50 WeakPolarHBondContact CB-OE2 3.49Å; T48-E50 PolarHBondContact O-N 2.89Å; T48-E50 PolarHBondContact OG1-OE2 3.37Å; E50-K53 PolarHBondContact O-N 3.26Å; E50-L54 PolarHBondContact O-N 3.11Å
51Y97.5Very high96.5Very high14 Ų1478.6 Ų78.66%0.05538%0.38CS..Hα-helixtrans-70.1-36.6177.5-163-86.9000112Y12 V39 E45 N46 T48 K53 L54 N55 K59 V60 V62Y12-Y51 HydrophobicContact CD1-CD2 4.5Å; Y12-Y51 AromaticContact CD1-CE2 3.96Å; Y12-Y51 HydrophobicContact CD1-CE2 3.96Å; Y12-Y51 HydrophobicContact CG-CE2 4.35Å; V39-Y51 HydrophobicContact CB-CE2 4.5Å; V39-Y51 HydrophobicContact CG1-CD2 4.39Å; V39-Y51 HydrophobicContact CG1-CE2 4.05Å; V39-Y51 HydrophobicContact CG2-CD2 4.34Å; V39-Y51 HydrophobicContact CG2-CE2 3.66Å; E45-Y51 WeakPolarHBondContact O-CB 3.32Å; N46-Y51 HydrophobicContact CB-CD1 4.06Å; N46-Y51 HydrophobicContact CB-CE1 3.95Å; N46-Y51 WeakPolarHBondContact O-CD1 3.49Å; T48-Y51 PolarHBondContact O-N 2.96Å; T48-Y51 PolarHBondContact OG1-N 2.98Å; T48-Y51 VanDerWaalsContact OG1-N 3.16Å; Y51-K53 VanDerWaalsContact C-N 3.29Å; Y51-K53 PolarHBondContact O-N 2.94Å; Y51-L54 HydrophobicContact CD2-CD2 4.48Å; Y51-L54 HydrophobicContact CE2-CD2 4.29Å; Y51-L54 CarbonylContact O-C 3.29Å; Y51-L54 WeakPolarHBondContact O-CA 3.25Å; Y51-L54 WeakPolarHBondContact O-CB 3.48Å; Y51-L54 PolarHBondContact O-N 3.11Å; Y51-N55 HydrophobicContact CE1-CB 4.2Å; Y51-N55 PolarHBondContact O-N 3.27Å; Y51-K59 PolarHBondContact OH-O 3.3Å; Y51-K59 VanDerWaalsContact OH-O 3.04Å; Y51-V60 WeakPolarHBondContact OH-CG1 3.4Å; Y51-V62 VanDerWaalsContact OH-CG2 3.31Å; Y51-V62 WeakPolarHBondContact OH-CG2 3.41Å
52T97.3Very high96.7Very high42 Ų4276.2 Ų76.226%0.25837%0.368SS..Hα-helixtrans-64.8-35178.7-55.40000111.6T48 P49 L54 N55 P56 Q58T48-T52 WeakPolarHBondContact O-CB 3.49Å; T48-T52 PolarHBondContact O-N 3.44Å; T48-T52 PolarHBondContact O-OG1 2.91Å; P49-T52 PolarHBondContact O-N 3.22Å; T52-L54 VanDerWaalsContact C-N 3.28Å; T52-L54 PolarHBondContact O-N 3.49Å; T52-N55 CarbonylContact O-C 3.45Å; T52-N55 PolarHBondContact O-N 2.92Å; T52-P56 WeakPolarHBondContact O-CA 3.39Å; T52-P56 VanDerWaalsContact O-N 3.15Å; T52-Q58 HydrophobicContact CG2-CG 4.3Å; T52-Q58 PolarHBondContact OG1-NE2 3.34Å
53K96.2Very high97.1Very high180 Ų18068.2 Ų68.278%0.78334%0.338SS*.Hα-helixtrans-63.1-35170.8-72.7171.4-176177.50112.2P49 E50 Y51P49-K53 WeakPolarHBondContact O-CG 3.5Å; P49-K53 PolarHBondContact O-N 3.47Å; E50-K53 PolarHBondContact O-N 3.26Å; Y51-K53 VanDerWaalsContact C-N 3.29Å; Y51-K53 PolarHBondContact O-N 2.94Å
54L95.4Very high97.4Very high40 Ų4061.2 Ų61.221%0.20931%0.31CS..Hα-helixtrans-75.1-43.5177.4178.267.5000112Y12 E50 Y51 T52 V62 V64 V69Y12-L54 HydrophobicContact CD1-CD2 3.91Å; Y12-L54 HydrophobicContact CD2-CD2 3.82Å; Y12-L54 HydrophobicContact CE1-CD2 3.66Å; Y12-L54 HydrophobicContact CE2-CD2 3.62Å; Y12-L54 HydrophobicContact CG-CD2 3.96Å; E50-L54 PolarHBondContact O-N 3.11Å; Y51-L54 HydrophobicContact CD2-CD2 4.48Å; Y51-L54 HydrophobicContact CE2-CD2 4.29Å; Y51-L54 CarbonylContact O-C 3.29Å; Y51-L54 WeakPolarHBondContact O-CA 3.25Å; Y51-L54 WeakPolarHBondContact O-CB 3.48Å; Y51-L54 PolarHBondContact O-N 3.11Å; T52-L54 VanDerWaalsContact C-N 3.28Å; T52-L54 PolarHBondContact O-N 3.49Å; L54-V62 HydrophobicContact CD1-CG1 4.28Å; L54-V62 HydrophobicContact CD2-CB 4.5Å; L54-V62 HydrophobicContact CD2-CG1 4.17Å; L54-V62 HydrophobicContact CG-CG1 4.03Å; L54-V64 HydrophobicContact CD1-CG2 3.82Å; L54-V69 HydrophobicContact CD1-CG1 3.94Å; L54-V69 HydrophobicContact CD1-CG2 4.19Å
55N97.4Very high97.5Very high6 Ų660.1 Ų60.13%0.03230%0.298CS..  trans-142.6103.7176.91809.1000110.4Y51 T52 M57 Q58 K59 V62 T71Y51-N55 HydrophobicContact CE1-CB 4.2Å; Y51-N55 PolarHBondContact O-N 3.27Å; T52-N55 CarbonylContact O-C 3.45Å; T52-N55 PolarHBondContact O-N 2.92Å; N55-M57 PolarHBondContact O-N 2.91Å; N55-M57 VanDerWaalsContact O-N 3.09Å; N55-M57 WeakPolarHBondContact OD1-CB 3.49Å; N55-M57 PolarHBondContact OD1-N 3.34Å; N55-Q58 PolarHBondContact O-N 2.95Å; N55-K59 PolarHBondContact ND2-N 3.35Å; N55-K59 PolarHBondContact ND2-O 3.01Å; N55-V62 HydrophobicContact CB-CG2 3.65Å; N55-T71 HydrophobicContact CB-CG2 4.25Å
56P97.2Very high97.4Very high103 Ų10359.6 Ų59.667%0.66930%0.297SS*.THydrogen-bonded Turntrans-58.5-23.4178.4-27.636000114.2T52 Q58T52-P56 WeakPolarHBondContact O-CA 3.39Å; T52-P56 VanDerWaalsContact O-N 3.15Å; P56-Q58 PolarHBondContact O-N 3.42Å
57M97.1Very high97.2Very high111 Ų11166.3 Ų66.355%0.54733%0.333SS..THydrogen-bonded Turntrans-73.1-8.8175.7-63-61.9-69.400113.2N55 K59N55-M57 PolarHBondContact O-N 2.91Å; N55-M57 VanDerWaalsContact O-N 3.09Å; N55-M57 WeakPolarHBondContact OD1-CB 3.49Å; N55-M57 PolarHBondContact OD1-N 3.34Å; M57-K59 HydrophobicContact CB-CD 4.47Å; M57-K59 WeakPolarHBondContact O-CG 3.22Å; M57-K59 PolarHBondContact O-N 3.33Å
58Q97.9Very high97.2Very high69 Ų6962.2 Ų62.232%0.32232%0.32SS..  trans53.139.3-179.9-63.8-177-15.800112.5N46 T52 N55 P56N46-Q58 PolarHBondContact ND2-O 2.81Å; N46-Q58 WeakPolarHBondContact O-CA 3.2Å; N46-Q58 WeakPolarHBondContact O-CB 3.42Å; N46-Q58 WeakPolarHBondContact O-CG 3.42Å; T52-Q58 HydrophobicContact CG2-CG 4.3Å; T52-Q58 PolarHBondContact OG1-NE2 3.34Å; N55-Q58 PolarHBondContact O-N 2.95Å; P56-Q58 PolarHBondContact O-N 3.42Å
59K98Very high97.2Very high114 Ų11462.8 Ų62.850%0.49632%0.324SS..  trans-124.6152.6-177.4-75.2174-171.5179.40111.3Y51 N55 M57Y51-K59 PolarHBondContact OH-O 3.3Å; Y51-K59 VanDerWaalsContact OH-O 3.04Å; N55-K59 PolarHBondContact ND2-N 3.35Å; N55-K59 PolarHBondContact ND2-O 3.01Å; M57-K59 HydrophobicContact CB-CD 4.47Å; M57-K59 WeakPolarHBondContact O-CG 3.22Å; M57-K59 PolarHBondContact O-N 3.33Å
60V98.3Very high97.2Very high15 Ų1560.4 Ų60.49%0.09131%0.306CS..SBendtrans-102152.2165.2-66.90000109.6D14 C20 V39 I41 Y51D14-V60 HydrophobicContact CB-CG2 4.35Å; C20-V60 VanDerWaalsContact SG-CB 3.59Å; C20-V60 VanDerWaalsContact SG-CG2 3.56Å; V39-V60 HydrophobicContact CB-CG1 3.87Å; V39-V60 HydrophobicContact CG1-CG1 4Å; V39-V60 HydrophobicContact CG2-CG1 4.19Å; I41-V60 HydrophobicContact CG2-CG1 4.34Å; I41-V60 HydrophobicContact CG2-CG2 3.87Å; Y51-V60 WeakPolarHBondContact OH-CG1 3.4Å
61P98.6Very high97.4Very high7 Ų756.5 Ų56.55%0.04529%0.291CS..  cis-80.2159.9-0.633.6-36.3000113.5Y12 L13 P19 I23 I76Y12-P61 WeakPolarHBondContact O-CA 3.4Å; L13-P61 HydrophobicContact CD2-CB 3.57Å; P19-P61 HydrophobicContact CB-CG 4.26Å; I23-P61 HydrophobicContact CG1-CB 4.16Å; I23-P61 HydrophobicContact CG1-CG 4.01Å; P61-I76 HydrophobicContact CB-CD1 4.37Å; P61-I76 HydrophobicContact CG-CD1 4.06Å
62V98.8Very high97.4Very high1 Ų159.8 Ų59.81%0.00631%0.307CS..EExtended strand (participates in β ladder)trans-128.3137.2163.1-178.20000108.3V11 Y12 Y51 L54 N55 V64 V69 T71V11-V62 CarbonylContact C-O 3.57Å; V11-V62 WeakPolarHBondContact CA-O 3.33Å; Y12-V62 HydrophobicContact CD2-CB 4.39Å; Y12-V62 PolarHBondContact N-O 3.4Å; Y12-V62 PolarHBondContact O-N 2.8Å; Y51-V62 VanDerWaalsContact OH-CG2 3.31Å; Y51-V62 WeakPolarHBondContact OH-CG2 3.41Å; L54-V62 HydrophobicContact CD1-CG1 4.28Å; L54-V62 HydrophobicContact CD2-CB 4.5Å; L54-V62 HydrophobicContact CD2-CG1 4.17Å; L54-V62 HydrophobicContact CG-CG1 4.03Å; N55-V62 HydrophobicContact CB-CG2 3.65Å; V62-V64 HydrophobicContact CG1-CG2 4.48Å; V62-V69 HydrophobicContact CG1-CG1 3.73Å; V62-T71 HydrophobicContact CG1-CG2 4.48Å; V62-T71 HydrophobicContact CG2-CG2 4.29Å
63M98.6Very high97.5Very high0 Ų057.9 Ų57.90%030%0.295CS..EExtended strand (participates in β ladder)trans-110.7136.7172.2-180-146.872.800109.1L9 V11 D65 F68 V69 L70 I76 Y79 L80L9-M63 HydrophobicContact CD1-CG 3.54Å; L9-M63 HydrophobicContact CD1-SD 4Å; V11-M63 HydrophobicContact CG1-CB 4.25Å; V11-M63 HydrophobicContact CG1-CG 4.14Å; M63-D65 HydrophobicContact CE-CB 3.95Å; M63-D65 HydrophobicContact SD-CB 4.43Å; M63-F68 HydrophobicContact CE-CD1 3.78Å; M63-F68 HydrophobicContact CE-CE1 3.97Å; M63-V69 CarbonylContact O-C 3.21Å; M63-V69 WeakPolarHBondContact O-CA 3.15Å; M63-L70 HydrophobicContact CE-CB 3.53Å; M63-L70 HydrophobicContact CE-CD2 4.31Å; M63-L70 PolarHBondContact N-O 2.79Å; M63-L70 PolarHBondContact O-N 2.79Å; M63-I76 HydrophobicContact CB-CD1 4.02Å; M63-I76 HydrophobicContact CB-CG1 4.01Å; M63-I76 HydrophobicContact CB-CG2 3.82Å; M63-I76 HydrophobicContact CG-CG2 4.24Å; M63-I76 HydrophobicContact SD-CG2 4.07Å; M63-Y79 HydrophobicContact CE-CD1 3.87Å; M63-Y79 HydrophobicContact CE-CE1 3.73Å; M63-Y79 HydrophobicContact SD-CD1 3.62Å; M63-Y79 HydrophobicContact SD-CE1 3.78Å; M63-L80 HydrophobicContact SD-CD2 4.05Å; M63-L80 HydrophobicContact SD-CG 4.4Å
64V98.3Very high97.6Very high24 Ų2450.4 Ų50.415%0.14526%0.264CS..EExtended strand (participates in β ladder)trans-123.2116.7170.9-1780000107.3L9 V10 Y12 L54 V62 N66 F68 V69L9-V64 CarbonylContact C-O 3.49Å; L9-V64 WeakPolarHBondContact CA-O 2.98Å; V10-V64 HydrophobicContact CB-CB 4.38Å; V10-V64 PolarHBondContact N-O 3.03Å; V10-V64 PolarHBondContact O-N 3.36Å; Y12-V64 HydrophobicContact CD2-CG2 4.33Å; Y12-V64 HydrophobicContact CE2-CG2 3.77Å; L54-V64 HydrophobicContact CD1-CG2 3.82Å; V62-V64 HydrophobicContact CG1-CG2 4.48Å; V64-N66 WeakPolarHBondContact CG1-O 3.34Å; V64-F68 CarbonylContact C-O 3.53Å; V64-F68 WeakPolarHBondContact CA-O 3.32Å; V64-V69 HydrophobicContact CG1-CG2 4.49Å; V64-V69 HydrophobicContact CG2-CG1 4.44Å; V64-V69 HydrophobicContact CG2-CG2 4.19Å
65D97.4Very high97.7Very high2 Ų250.4 Ų50.41%0.01127%0.269CS..EExtended strand (participates in β ladder)trans-118.894.5178.3-171.3-29.3000108.7L9 M63 D67 F68 Y79 K83 Y84L9-D65 HydrophobicContact CD1-CB 3.9Å; M63-D65 HydrophobicContact CE-CB 3.95Å; M63-D65 HydrophobicContact SD-CB 4.43Å; D65-D67 PolarHBondContact O-N 3.42Å; D65-F68 PolarHBondContact N-O 2.85Å; D65-F68 WeakPolarHBondContact O-CB 3.38Å; D65-F68 PolarHBondContact O-N 2.93Å; D65-F68 VanDerWaalsContact O-N 3.12Å; D65-Y79 HydrophobicContact CB-CE1 4.33Å; D65-Y79 WeakPolarHBondContact OD2-CE1 3.36Å; D65-Y79 PolarHBondContact OD2-OH 2.88Å; D65-K83 IonicContact OD1-NZ 2.91Å; D65-K83 PolarHBondContact OD1-NZ 2.82Å; D65-K83 WeakPolarHBondContact OD2-CD 3.3Å; D65-K83 WeakPolarHBondContact OD2-CE 3.45Å; D65-K83 IonicContact OD2-NZ 2.63Å; D65-K83 PolarHBondContact OD2-NZ 2.78Å; D65-Y84 PolarHBondContact OD2-OH 3.3Å
66N94.8Very high97.8Very high65 Ų6550.1 Ų50.135%0.34827%0.268SS..THydrogen-bonded Turntrans55.8-117.5-161.6-47.7-76.4000110.7E8 V64E8-N66 PolarHBondContact N-OD1 2.85Å; E8-N66 PolarHBondContact O-N 3.38Å; E8-N66 VanDerWaalsContact O-N 3.09Å; V64-N66 WeakPolarHBondContact CG1-O 3.34Å
67D93.7Very high97.9Very high159 Ų15945.2 Ų45.285%0.8524%0.236SC*.THydrogen-bonded Turntrans-90.2-2.7-179.8-54.8-45.8000112.8D65D65-D67 PolarHBondContact O-N 3.42Å
68F97.2Very high98Very high90 Ų9041.6 Ų41.640%0.39522%0.217SC..EExtended strand (participates in β ladder)trans-90.5112.1-178.6-179.1-118.1000111.4M63 V64 D65 L70 Y79M63-F68 HydrophobicContact CE-CD1 3.78Å; M63-F68 HydrophobicContact CE-CE1 3.97Å; V64-F68 CarbonylContact C-O 3.53Å; V64-F68 WeakPolarHBondContact CA-O 3.32Å; D65-F68 PolarHBondContact N-O 2.85Å; D65-F68 WeakPolarHBondContact O-CB 3.38Å; D65-F68 PolarHBondContact O-N 2.93Å; D65-F68 VanDerWaalsContact O-N 3.12Å; F68-L70 HydrophobicContact CE1-CB 3.94Å; F68-L70 HydrophobicContact CE1-CD2 4.03Å; F68-L70 HydrophobicContact CE1-CG 4.4Å; F68-L70 HydrophobicContact CZ-CB 4.19Å; F68-L70 HydrophobicContact CZ-CD1 4.08Å; F68-L70 HydrophobicContact CZ-CD2 4.29Å; F68-L70 HydrophobicContact CZ-CG 4.42Å; F68-Y79 HydrophobicContact CD1-CE1 4.3Å; F68-Y79 AromaticContact CD1-CE2 3.89Å; F68-Y79 HydrophobicContact CD1-CE2 3.89Å; F68-Y79 AromaticContact CD1-CZ 3.67Å; F68-Y79 AromaticContact CE1-CD2 3.89Å; F68-Y79 HydrophobicContact CE1-CD2 3.89Å; F68-Y79 HydrophobicContact CE1-CE1 4.33Å; F68-Y79 AromaticContact CE1-CE2 3.51Å; F68-Y79 HydrophobicContact CE1-CE2 3.51Å; F68-Y79 HydrophobicContact CE1-CG 4.41Å; F68-Y79 AromaticContact CE1-CZ 3.74Å; F68-Y79 HydrophobicContact CZ-CE2 4.46Å
69V98Very high98Very high63 Ų6341 Ų4138%0.38221%0.212SC..EExtended strand (participates in β ladder)trans-98129.2175.7-173.80000109.6L54 V62 M63 V64L54-V69 HydrophobicContact CD1-CG1 3.94Å; L54-V69 HydrophobicContact CD1-CG2 4.19Å; V62-V69 HydrophobicContact CG1-CG1 3.73Å; M63-V69 CarbonylContact O-C 3.21Å; M63-V69 WeakPolarHBondContact O-CA 3.15Å; V64-V69 HydrophobicContact CG1-CG2 4.49Å; V64-V69 HydrophobicContact CG2-CG1 4.44Å; V64-V69 HydrophobicContact CG2-CG2 4.19Å
70L98.6Very high98Very high37 Ų3735.6 Ų35.619%0.19419%0.189CC..EExtended strand (participates in β ladder)trans-132.3137.8176.6-167.960.6000110.8M63 F68 A75 I76 Y79M63-L70 HydrophobicContact CE-CB 3.53Å; M63-L70 HydrophobicContact CE-CD2 4.31Å; M63-L70 PolarHBondContact N-O 2.79Å; M63-L70 PolarHBondContact O-N 2.79Å; F68-L70 HydrophobicContact CE1-CB 3.94Å; F68-L70 HydrophobicContact CE1-CD2 4.03Å; F68-L70 HydrophobicContact CE1-CG 4.4Å; F68-L70 HydrophobicContact CZ-CB 4.19Å; F68-L70 HydrophobicContact CZ-CD1 4.08Å; F68-L70 HydrophobicContact CZ-CD2 4.29Å; F68-L70 HydrophobicContact CZ-CG 4.42Å; L70-A75 HydrophobicContact CD1-CB 4.47Å; L70-A75 HydrophobicContact CD2-CB 4.38Å; L70-A75 HydrophobicContact CG-CB 4.5Å; L70-I76 HydrophobicContact CB-CG1 4.2Å; L70-I76 HydrophobicContact CD2-CG1 4.16Å; L70-I76 HydrophobicContact CG-CG1 3.96Å; L70-I76 WeakPolarHBondContact O-CD1 3.44Å; L70-Y79 HydrophobicContact CD2-CG 4.1Å
71T98.4Very high98Very high44 Ų4435.7 Ų35.727%0.2719%0.191SC..EExtended strand (participates in β ladder)trans-114.7178175.265.30000109.4N55 V62N55-T71 HydrophobicContact CB-CG2 4.25Å; V62-T71 HydrophobicContact CG1-CG2 4.48Å; V62-T71 HydrophobicContact CG2-CG2 4.29Å
72E98.3Very high98Very high84 Ų8439.6 Ų39.639%0.39322%0.215SC..SBendtrans65.8119-174.4-59.2-56.9140.400114D74 A75 I76E72-D74 VanDerWaalsContact C-N 3.33Å; E72-D74 PolarHBondContact O-N 3.21Å; E72-A75 HydrophobicContact CB-CB 4.3Å; E72-A75 PolarHBondContact O-N 3.24Å; E72-I76 VanDerWaalsContact O-CG1 3.29Å; E72-I76 WeakPolarHBondContact O-CG1 3.22Å; E72-I76 PolarHBondContact O-N 3.04Å
73S98.4Very high97.9Very high1 Ų143.9 Ų43.91%0.00723%0.234CC..Hα-helixtrans-63.6-35.4-172.849.80000114.1P19 L77P19-S73 VanDerWaalsContact CB-CB 3.41Å; P19-S73 VanDerWaalsContact CB-OG 3.29Å; P19-S73 WeakPolarHBondContact CB-OG 3.4Å; S73-L77 WeakPolarHBondContact O-CB 3.48Å; S73-L77 VanDerWaalsContact O-CG 3.23Å; S73-L77 WeakPolarHBondContact O-CG 3.25Å; S73-L77 PolarHBondContact O-N 3.27Å
74D98.4Very high97.8Very high23 Ų2346.1 Ų46.112%0.12324%0.243CC..Hα-helixtrans-62.7-48.5176.7-17634.2000110.7E72 I76 L77 K78 T105E72-D74 VanDerWaalsContact C-N 3.33Å; E72-D74 PolarHBondContact O-N 3.21Å; D74-I76 PolarHBondContact O-N 3.06Å; D74-L77 PolarHBondContact O-N 3.09Å; D74-K78 WeakPolarHBondContact O-CB 3.4Å; D74-K78 WeakPolarHBondContact O-CG 3.43Å; D74-K78 PolarHBondContact O-N 3.38Å; D74-K78 WeakPolarHBondContact OD1-CE 3.46Å; D74-K78 IonicContact OD1-NZ 2.74Å; D74-K78 PolarHBondContact OD1-NZ 2.88Å; D74-K78 WeakPolarHBondContact OD2-CE 3.35Å; D74-K78 IonicContact OD2-NZ 2.9Å; D74-K78 PolarHBondContact OD2-NZ 3.23Å; D74-T105 VanDerWaalsContact CG-CB 3.49Å; D74-T105 WeakPolarHBondContact OD1-CB 3.5Å; D74-T105 WeakPolarHBondContact OD1-CG2 3.21Å; D74-T105 PolarHBondContact OD1-OG1 3.43Å; D74-T105 PolarHBondContact OD2-OG1 3.17Å; D74-T105 VanDerWaalsContact OD2-OG1 3.05Å
75A98.8Very high97.7Very high40 Ų4053.2 Ų53.233%0.33128%0.28SS..Hα-helixtrans-61.8-45.6177.200000112.3L70 E72 L77 K78 Y79L70-A75 HydrophobicContact CD1-CB 4.47Å; L70-A75 HydrophobicContact CD2-CB 4.38Å; L70-A75 HydrophobicContact CG-CB 4.5Å; E72-A75 HydrophobicContact CB-CB 4.3Å; E72-A75 PolarHBondContact O-N 3.24Å; A75-L77 PolarHBondContact O-N 3.1Å; A75-K78 PolarHBondContact O-N 2.76Å; A75-Y79 VanDerWaalsContact O-CB 3.32Å; A75-Y79 WeakPolarHBondContact O-CB 3.07Å; A75-Y79 PolarHBondContact O-N 2.8Å
76I98.9Very high97.7Very high1 Ų154 Ų541%0.00528%0.284CS..Hα-helixtrans-59.8-47.3176.8-65.3165.3000110.7I23 P61 M63 L70 E72 D74 Y79 L80I23-I76 HydrophobicContact CD1-CB 3.95Å; I23-I76 HydrophobicContact CD1-CG2 3.54Å; I23-I76 HydrophobicContact CG1-CG2 4.29Å; P61-I76 HydrophobicContact CB-CD1 4.37Å; P61-I76 HydrophobicContact CG-CD1 4.06Å; M63-I76 HydrophobicContact CB-CD1 4.02Å; M63-I76 HydrophobicContact CB-CG1 4.01Å; M63-I76 HydrophobicContact CB-CG2 3.82Å; M63-I76 HydrophobicContact CG-CG2 4.24Å; M63-I76 HydrophobicContact SD-CG2 4.07Å; L70-I76 HydrophobicContact CB-CG1 4.2Å; L70-I76 HydrophobicContact CD2-CG1 4.16Å; L70-I76 HydrophobicContact CG-CG1 3.96Å; L70-I76 WeakPolarHBondContact O-CD1 3.44Å; E72-I76 VanDerWaalsContact O-CG1 3.29Å; E72-I76 WeakPolarHBondContact O-CG1 3.22Å; E72-I76 PolarHBondContact O-N 3.04Å; D74-I76 PolarHBondContact O-N 3.06Å; I76-Y79 WeakPolarHBondContact O-CB 3.48Å; I76-Y79 PolarHBondContact O-N 3.45Å; I76-L80 HydrophobicContact CG2-CD1 3.81Å; I76-L80 HydrophobicContact CG2-CG 4.26Å; I76-L80 WeakPolarHBondContact O-CB 3.46Å; I76-L80 VanDerWaalsContact O-CG 3.25Å; I76-L80 WeakPolarHBondContact O-CG 3.48Å; I76-L80 PolarHBondContact O-N 3Å
77L98.9Very high97.8Very high0 Ų054.2 Ų54.20%029%0.29CS..Hα-helixtrans-62.9-45.5-179.9-75.7170.4000112.2A22 I23 F26 S73 D74 A75 Y79 L80 A81 L171 L174 L175A22-L77 HydrophobicContact CB-CD1 4.22Å; I23-L77 HydrophobicContact CD1-CD1 4.37Å; I23-L77 HydrophobicContact CD1-CD2 3.57Å; I23-L77 HydrophobicContact CD1-CG 3.52Å; F26-L77 HydrophobicContact CB-CD2 3.6Å; F26-L77 HydrophobicContact CD1-CD2 4.31Å; F26-L77 HydrophobicContact CD2-CD2 4Å; F26-L77 HydrophobicContact CG-CD2 3.7Å; S73-L77 WeakPolarHBondContact O-CB 3.48Å; S73-L77 VanDerWaalsContact O-CG 3.23Å; S73-L77 WeakPolarHBondContact O-CG 3.25Å; S73-L77 PolarHBondContact O-N 3.27Å; D74-L77 PolarHBondContact O-N 3.09Å; A75-L77 PolarHBondContact O-N 3.1Å; L77-Y79 VanDerWaalsContact C-N 3.33Å; L77-Y79 PolarHBondContact O-N 3.43Å; L77-L80 PolarHBondContact O-N 3.14Å; L77-A81 VanDerWaalsContact O-CB 3.28Å; L77-A81 WeakPolarHBondContact O-CB 3.43Å; L77-A81 PolarHBondContact O-N 3.09Å; L77-L171 HydrophobicContact CB-CD1 3.85Å; L77-L171 HydrophobicContact CB-CD2 3.8Å; L77-L171 HydrophobicContact CB-CG 4.37Å; L77-L171 HydrophobicContact CD1-CD2 4.35Å; L77-L171 HydrophobicContact CD2-CD2 4.09Å; L77-L171 HydrophobicContact CG-CD2 4.28Å; L77-L174 HydrophobicContact CD1-CD2 4.5Å; L77-L174 HydrophobicContact CD2-CD2 4.06Å; L77-L175 HydrophobicContact CD1-CD1 4.06Å; L77-L175 HydrophobicContact CD1-CD2 3.78Å; L77-L175 HydrophobicContact CD1-CG 3.78Å
78K98.8Very high98Very high34 Ų3449.3 Ų49.315%0.14828%0.277CS..Hα-helixtrans-63.3-38.9177.1-72.7172.3177.3169.70112D74 A75 T82 Y91 D102 T105 L171D74-K78 WeakPolarHBondContact O-CB 3.4Å; D74-K78 WeakPolarHBondContact O-CG 3.43Å; D74-K78 PolarHBondContact O-N 3.38Å; D74-K78 WeakPolarHBondContact OD1-CE 3.46Å; D74-K78 IonicContact OD1-NZ 2.74Å; D74-K78 PolarHBondContact OD1-NZ 2.88Å; D74-K78 WeakPolarHBondContact OD2-CE 3.35Å; D74-K78 IonicContact OD2-NZ 2.9Å; D74-K78 PolarHBondContact OD2-NZ 3.23Å; A75-K78 PolarHBondContact O-N 2.76Å; K78-T82 VanDerWaalsContact O-CB 3.3Å; K78-T82 WeakPolarHBondContact O-CB 3.16Å; K78-T82 PolarHBondContact O-N 3.41Å; K78-T82 PolarHBondContact O-OG1 3.41Å; K78-Y91 HydrophobicContact CB-CD1 4.48Å; K78-Y91 HydrophobicContact CB-CE1 4.21Å; K78-Y91 HydrophobicContact CD-CE2 4.2Å; K78-Y91 HydrophobicContact CG-CD1 4.44Å; K78-Y91 HydrophobicContact CG-CD2 4.32Å; K78-Y91 HydrophobicContact CG-CE1 4.17Å; K78-Y91 HydrophobicContact CG-CE2 4.08Å; K78-D102 WeakPolarHBondContact CE-OD1 3.38Å; K78-D102 IonicContact NZ-OD1 3.31Å; K78-D102 PolarHBondContact NZ-OD1 3.32Å; K78-T105 PolarHBondContact NZ-OG1 3.19Å; K78-L171 HydrophobicContact CG-CD1 3.84Å
79Y98.8Very high98Very high57 Ų5747.2 Ų47.222%0.22427%0.27CS..Hα-helixtrans-61.1-52.6173.4174.8-97.1000111.3M63 D65 F68 L70 A75 I76 L77 A81 T82 K83M63-Y79 HydrophobicContact CE-CD1 3.87Å; M63-Y79 HydrophobicContact CE-CE1 3.73Å; M63-Y79 HydrophobicContact SD-CD1 3.62Å; M63-Y79 HydrophobicContact SD-CE1 3.78Å; D65-Y79 HydrophobicContact CB-CE1 4.33Å; D65-Y79 WeakPolarHBondContact OD2-CE1 3.36Å; D65-Y79 PolarHBondContact OD2-OH 2.88Å; F68-Y79 HydrophobicContact CD1-CE1 4.3Å; F68-Y79 AromaticContact CD1-CE2 3.89Å; F68-Y79 HydrophobicContact CD1-CE2 3.89Å; F68-Y79 AromaticContact CD1-CZ 3.67Å; F68-Y79 AromaticContact CE1-CD2 3.89Å; F68-Y79 HydrophobicContact CE1-CD2 3.89Å; F68-Y79 HydrophobicContact CE1-CE1 4.33Å; F68-Y79 AromaticContact CE1-CE2 3.51Å; F68-Y79 HydrophobicContact CE1-CE2 3.51Å; F68-Y79 HydrophobicContact CE1-CG 4.41Å; F68-Y79 AromaticContact CE1-CZ 3.74Å; F68-Y79 HydrophobicContact CZ-CE2 4.46Å; L70-Y79 HydrophobicContact CD2-CG 4.1Å; A75-Y79 VanDerWaalsContact O-CB 3.32Å; A75-Y79 WeakPolarHBondContact O-CB 3.07Å; A75-Y79 PolarHBondContact O-N 2.8Å; I76-Y79 WeakPolarHBondContact O-CB 3.48Å; I76-Y79 PolarHBondContact O-N 3.45Å; L77-Y79 VanDerWaalsContact C-N 3.33Å; L77-Y79 PolarHBondContact O-N 3.43Å; Y79-A81 VanDerWaalsContact C-N 3.34Å; Y79-A81 PolarHBondContact O-N 3.23Å; Y79-T82 PolarHBondContact O-N 2.88Å; Y79-T82 VanDerWaalsContact O-N 3.13Å; Y79-K83 HydrophobicContact CE1-CB 4.44Å; Y79-K83 HydrophobicContact CE1-CD 3.58Å; Y79-K83 HydrophobicContact CE2-CD 4.15Å; Y79-K83 VanDerWaalsContact O-CB 3.27Å; Y79-K83 WeakPolarHBondContact O-CB 3.01Å; Y79-K83 PolarHBondContact O-N 3.22Å; Y79-K83 WeakPolarHBondContact OH-CD 3.42Å; Y79-K83 PolarHBondContact OH-NZ 3.24Å
80L98.7Very high98Very high0 Ų044.8 Ų44.80%025%0.253CS..Hα-helixtrans-60.6-43.8-180-67.5171000111.5L9 F26 L27 M63 I76 L77 T82 K83 Y84L9-L80 HydrophobicContact CD1-CD2 4.37Å; L9-L80 HydrophobicContact CD2-CD2 3.9Å; F26-L80 HydrophobicContact CD1-CB 4.05Å; F26-L80 HydrophobicContact CD1-CD1 4.15Å; F26-L80 HydrophobicContact CE1-CB 3.61Å; L27-L80 HydrophobicContact CD2-CD1 3.76Å; L27-L80 HydrophobicContact CD2-CD2 4.09Å; L27-L80 HydrophobicContact CG-CD1 4.23Å; M63-L80 HydrophobicContact SD-CD2 4.05Å; M63-L80 HydrophobicContact SD-CG 4.4Å; I76-L80 HydrophobicContact CG2-CD1 3.81Å; I76-L80 HydrophobicContact CG2-CG 4.26Å; I76-L80 WeakPolarHBondContact O-CB 3.46Å; I76-L80 VanDerWaalsContact O-CG 3.25Å; I76-L80 WeakPolarHBondContact O-CG 3.48Å; I76-L80 PolarHBondContact O-N 3Å; L77-L80 PolarHBondContact O-N 3.14Å; L80-T82 PolarHBondContact O-N 3.23Å; L80-K83 PolarHBondContact O-N 2.74Å; L80-Y84 HydrophobicContact CD2-CD2 3.95Å; L80-Y84 HydrophobicContact CD2-CE2 3.65Å; L80-Y84 PolarHBondContact O-N 2.87Å
81A98.5Very high98Very high17 Ų1744.6 Ų44.614%0.1425%0.25CS..Hα-helixtrans-66.4-24.7177.800000113.8F26 L77 Y79 V86 W90 L171F26-A81 HydrophobicContact CE2-CB 4.3Å; F26-A81 HydrophobicContact CZ-CB 3.75Å; L77-A81 VanDerWaalsContact O-CB 3.28Å; L77-A81 WeakPolarHBondContact O-CB 3.43Å; L77-A81 PolarHBondContact O-N 3.09Å; Y79-A81 VanDerWaalsContact C-N 3.34Å; Y79-A81 PolarHBondContact O-N 3.23Å; A81-V86 HydrophobicContact CB-CG2 4.38Å; A81-W90 HydrophobicContact CB-CB 4.37Å; A81-L171 HydrophobicContact CB-CD1 4.3Å
82T98.1Very high98Very high90 Ų9043.3 Ų43.355%0.55224%0.243SC*.Hα-helixtrans-89.6-36.8177.6-57.60000112.1K78 Y79 L80K78-T82 VanDerWaalsContact O-CB 3.3Å; K78-T82 WeakPolarHBondContact O-CB 3.16Å; K78-T82 PolarHBondContact O-N 3.41Å; K78-T82 PolarHBondContact O-OG1 3.41Å; Y79-T82 PolarHBondContact O-N 2.88Å; Y79-T82 VanDerWaalsContact O-N 3.13Å; L80-T82 PolarHBondContact O-N 3.23Å
83K97.1Very high97.9Very high91 Ų9150 Ų5040%0.39627%0.265SS..Hα-helixtrans-81.3-41-173.6177.3169.2-175.9-179.90113.3D65 Y79 L80D65-K83 IonicContact OD1-NZ 2.91Å; D65-K83 PolarHBondContact OD1-NZ 2.82Å; D65-K83 WeakPolarHBondContact OD2-CD 3.3Å; D65-K83 WeakPolarHBondContact OD2-CE 3.45Å; D65-K83 IonicContact OD2-NZ 2.63Å; D65-K83 PolarHBondContact OD2-NZ 2.78Å; Y79-K83 HydrophobicContact CE1-CB 4.44Å; Y79-K83 HydrophobicContact CE1-CD 3.58Å; Y79-K83 HydrophobicContact CE2-CD 4.15Å; Y79-K83 VanDerWaalsContact O-CB 3.27Å; Y79-K83 WeakPolarHBondContact O-CB 3.01Å; Y79-K83 PolarHBondContact O-N 3.22Å; Y79-K83 WeakPolarHBondContact OH-CD 3.42Å; Y79-K83 PolarHBondContact OH-NZ 3.24Å; L80-K83 PolarHBondContact O-N 2.74Å
84Y96.7Very high97.9Very high47 Ų4754.1 Ų54.118%0.18428%0.283CS..SBendtrans-95.6152.3-175.2-68.7-90.8000110.9L9 I32 D65 L80 V86L9-Y84 HydrophobicContact CD2-CE2 4.23Å; I32-Y84 HydrophobicContact CD1-CD2 4.24Å; I32-Y84 HydrophobicContact CD1-CG 3.99Å; I32-Y84 HydrophobicContact CG1-CD1 4.35Å; I32-Y84 HydrophobicContact CG1-CG 4.23Å; I32-Y84 HydrophobicContact CG2-CD1 3.77Å; I32-Y84 HydrophobicContact CG2-CD2 4.38Å; I32-Y84 HydrophobicContact CG2-CE1 3.68Å; I32-Y84 HydrophobicContact CG2-CE2 4.32Å; I32-Y84 HydrophobicContact CG2-CG 4.12Å; D65-Y84 PolarHBondContact OD2-OH 3.3Å; L80-Y84 HydrophobicContact CD2-CD2 3.95Å; L80-Y84 HydrophobicContact CD2-CE2 3.65Å; L80-Y84 PolarHBondContact O-N 2.87Å; Y84-V86 VanDerWaalsContact C-N 3.31Å; Y84-V86 PolarHBondContact O-N 2.76Å
85D94.9Very high97.9Very high172 Ų17257.4 Ų57.492%0.9231%0.306SS*.  trans-74.686.1176.2-171.631.1000109.9
86V97.4Very high97.8Very high18 Ų1861.3 Ų61.311%0.10932%0.317CS..  trans-120.1158.1178.7-55.60000110.2F26 N30 I32 A81 Y84 G88F26-V86 HydrophobicContact CZ-CG1 4.43Å; F26-V86 HydrophobicContact CZ-CG2 4.17Å; N30-V86 HydrophobicContact CB-CB 4.36Å; N30-V86 HydrophobicContact CB-CG1 3.66Å; I32-V86 HydrophobicContact CD1-CG1 3.99Å; I32-V86 HydrophobicContact CG1-CG1 4.43Å; A81-V86 HydrophobicContact CB-CG2 4.38Å; Y84-V86 VanDerWaalsContact C-N 3.31Å; Y84-V86 PolarHBondContact O-N 2.76Å; V86-G88 PolarHBondContact O-N 3.39Å
87P97.8Very high97.8Very high71 Ų7168.1 Ų68.146%0.46134%0.343SS..  trans-51.5129174.8-29.738.3000112.8N30 N89 W90N30-P87 WeakPolarHBondContact OD1-CD 3.2Å; P87-N89 WeakPolarHBondContact CB-OD1 3.39Å; P87-N89 PolarHBondContact O-N 2.81Å; P87-N89 VanDerWaalsContact O-N 3.08Å; P87-W90 VanDerWaalsContact O-CD1 3.27Å; P87-W90 PolarHBondContact O-N 2.94Å
88G96.9Very high97.8Very high56 Ų5671.3 Ų71.358%0.57736%0.355SS*.THydrogen-bonded Turntrans-66.7-11-172.100000115.3V86 W90 Y91 P92V86-G88 PolarHBondContact O-N 3.39Å; G88-W90 VanDerWaalsContact C-N 3.28Å; G88-W90 PolarHBondContact O-N 2.98Å; G88-Y91 CarbonylContact O-C 3.41Å; G88-P92 VanDerWaalsContact O-CA 3.31Å; G88-P92 WeakPolarHBondContact O-CA 3.44Å
89N97.6Very high97.7Very high46 Ų4672.2 Ų72.225%0.24637%0.369CS..THydrogen-bonded Turntrans-66.4-27.6174.657.8-72.7000112.8P87 Y91 D168 I169P87-N89 WeakPolarHBondContact CB-OD1 3.39Å; P87-N89 PolarHBondContact O-N 2.81Å; P87-N89 VanDerWaalsContact O-N 3.08Å; N89-Y91 VanDerWaalsContact C-N 3.32Å; N89-Y91 PolarHBondContact O-N 2.83Å; N89-D168 HydrophobicContact CB-CB 3.67Å; N89-I169 CarbonylContact C-O 3.57Å; N89-I169 WeakPolarHBondContact ND2-CG2 3.36Å; N89-I169 PolarHBondContact ND2-O 2.87Å
90W98.5Very high97.7Very high11 Ų1175.4 Ų75.44%0.04238%0.38CS..SBendtrans-55.4-49.3177.5-75.9118.6000111.7F26 N30 A81 P87 G88 I169 L171 L174 L208F26-W90 HydrophobicContact CD2-CD2 4.11Å; F26-W90 HydrophobicContact CD2-CE3 4.2Å; F26-W90 HydrophobicContact CE2-CB 3.99Å; F26-W90 AromaticContact CE2-CD1 3.97Å; F26-W90 AromaticContact CE2-CD2 3.65Å; F26-W90 HydrophobicContact CE2-CD2 3.65Å; F26-W90 HydrophobicContact CE2-CE3 4.06Å; F26-W90 AromaticContact CE2-CG 3.61Å; F26-W90 HydrophobicContact CE2-CG 3.61Å; F26-W90 HydrophobicContact CZ-CG 4.33Å; N30-W90 PolarHBondContact ND2-NE1 3.38Å; N30-W90 PolarHBondContact OD1-NE1 3.36Å; A81-W90 HydrophobicContact CB-CB 4.37Å; P87-W90 VanDerWaalsContact O-CD1 3.27Å; P87-W90 PolarHBondContact O-N 2.94Å; G88-W90 VanDerWaalsContact C-N 3.28Å; G88-W90 PolarHBondContact O-N 2.98Å; W90-I169 HydrophobicContact CH2-CD1 3.82Å; W90-I169 HydrophobicContact CH2-CG1 4.15Å; W90-I169 HydrophobicContact CH2-CG2 4.31Å; W90-I169 HydrophobicContact CZ3-CD1 4.07Å; W90-I169 HydrophobicContact CZ3-CG1 3.97Å; W90-L171 HydrophobicContact CB-CD2 4.49Å; W90-L171 HydrophobicContact CE3-CD2 4.11Å; W90-L171 WeakPolarHBondContact O-CG 3.16Å; W90-L171 PolarHBondContact O-N 3.48Å; W90-L174 HydrophobicContact CZ3-CB 4.05Å; W90-L174 HydrophobicContact CZ3-CD2 4.21Å; W90-L208 HydrophobicContact CH2-CD2 3.68Å; W90-L208 HydrophobicContact CZ2-CD2 4.4Å
91Y98.5Very high97.7Very high34 Ų3475.4 Ų75.413%0.13338%0.381CS..SBendtrans-143.485179.6-170.8-132.6000110.5K78 G88 N89 R98 V101 L171K78-Y91 HydrophobicContact CB-CD1 4.48Å; K78-Y91 HydrophobicContact CB-CE1 4.21Å; K78-Y91 HydrophobicContact CD-CE2 4.2Å; K78-Y91 HydrophobicContact CG-CD1 4.44Å; K78-Y91 HydrophobicContact CG-CD2 4.32Å; K78-Y91 HydrophobicContact CG-CE1 4.17Å; K78-Y91 HydrophobicContact CG-CE2 4.08Å; G88-Y91 CarbonylContact O-C 3.41Å; N89-Y91 VanDerWaalsContact C-N 3.32Å; N89-Y91 PolarHBondContact O-N 2.83Å; Y91-R98 HydrophobicContact CD2-CG 4.4Å; Y91-R98 VanDerWaalsContact CE1-NH1 3.32Å; Y91-R98 HydrophobicContact CE2-CG 3.64Å; Y91-V101 HydrophobicContact CD2-CG1 4.2Å; Y91-L171 HydrophobicContact CD2-CD1 4.45Å; Y91-L171 HydrophobicContact CG-CD1 4.37Å
92P97.7Very high97.8Very high17 Ų1776.9 Ų76.911%0.1139%0.386CS..  trans-55.8150.6-171.8-27.436000113.1G88 R97 R98G88-P92 VanDerWaalsContact O-CA 3.31Å; G88-P92 WeakPolarHBondContact O-CA 3.44Å; P92-R97 HydrophobicContact CB-CB 3.77Å; P92-R97 HydrophobicContact CG-CB 4.05Å; P92-R98 WeakPolarHBondContact O-CB 3.39Å; P92-R98 PolarHBondContact O-NE 2.84Å; P92-R98 PolarHBondContact O-NH2 3.49Å
93R96.6Very high97.8Very high225 Ų22576.6 Ų76.685%0.84938%0.378SS*.SBendtrans-86.5-22.3173-66.4-175.7-177.8175.11.4113.3
94H97.7Very high97.9Very high86 Ų8672.3 Ų72.340%0.39836%0.36SS..SBendtrans-63.7126176.9-173.4-75.4000109.7E96 R97 R98H94-E96 IonicContact CE1-OE2 2.78Å; H94-E96 PolarHBondContact CE1-OE2 3.3Å; H94-E96 PolarHBondContact ND1-N 3.34Å; H94-E96 IonicContact ND1-OE2 3.81Å; H94-E96 PolarHBondContact ND1-OE2 3.49Å; H94-E96 IonicContact NE2-OE2 3.83Å; H94-E96 PolarHBondContact O-N 3.47Å; H94-R97 HydrophobicContact CB-CB 4.27Å; H94-R97 HydrophobicContact CB-CG 4.43Å; H94-R97 PolarHBondContact O-N 3.5Å; H94-R98 WeakPolarHBondContact O-CB 3.49Å; H94-R98 PolarHBondContact O-N 3.26Å
95P98.2Very high98Very high92 Ų9270.1 Ų70.160%0.59735%0.351SS*.Hα-helixtrans-54-47.2-168.7-27.834.7000114R98 A99P95-R98 WeakPolarHBondContact O-CB 3.23Å; P95-R98 PolarHBondContact O-N 3.39Å; P95-A99 VanDerWaalsContact O-CB 3.29Å; P95-A99 WeakPolarHBondContact O-CB 3.42Å; P95-A99 PolarHBondContact O-N 3.09Å
96E98.1Very high98.1Very high123 Ų12365.1 Ų65.158%0.57533%0.334SS*.Hα-helixtrans-70.7-39.1-175.5-64.882.1167.400111.9H94 A99 R100H94-E96 IonicContact CE1-OE2 2.78Å; H94-E96 PolarHBondContact CE1-OE2 3.3Å; H94-E96 PolarHBondContact ND1-N 3.34Å; H94-E96 IonicContact ND1-OE2 3.81Å; H94-E96 PolarHBondContact ND1-OE2 3.49Å; H94-E96 IonicContact NE2-OE2 3.83Å; H94-E96 PolarHBondContact O-N 3.47Å; E96-A99 PolarHBondContact O-N 3.45Å; E96-R100 WeakPolarHBondContact O-CG 3.4Å; E96-R100 PolarHBondContact O-N 2.89Å
97R97.8Very high98.2Very high144 Ų14466.1 Ų66.154%0.54334%0.336SS..Hα-helixtrans-69.3-40175.9-68.3-169.3-80.1174-5.3111.1P92 H94 R100 V101P92-R97 HydrophobicContact CB-CB 3.77Å; P92-R97 HydrophobicContact CG-CB 4.05Å; H94-R97 HydrophobicContact CB-CB 4.27Å; H94-R97 HydrophobicContact CB-CG 4.43Å; H94-R97 PolarHBondContact O-N 3.5Å; R97-R100 PolarHBondContact O-N 3.24Å; R97-V101 PolarHBondContact O-N 2.97Å
98R98.6Very high98.3Very high67 Ų6762.8 Ų62.825%0.25331%0.314SS..Hα-helixtrans-60.2-47.3172.3179.6169.4-70.1-143.8-9.4111.2Y91 P92 H94 P95 R100 V101 D102Y91-R98 HydrophobicContact CD2-CG 4.4Å; Y91-R98 VanDerWaalsContact CE1-NH1 3.32Å; Y91-R98 HydrophobicContact CE2-CG 3.64Å; P92-R98 WeakPolarHBondContact O-CB 3.39Å; P92-R98 PolarHBondContact O-NE 2.84Å; P92-R98 PolarHBondContact O-NH2 3.49Å; H94-R98 WeakPolarHBondContact O-CB 3.49Å; H94-R98 PolarHBondContact O-N 3.26Å; P95-R98 WeakPolarHBondContact O-CB 3.23Å; P95-R98 PolarHBondContact O-N 3.39Å; R98-R100 PolarHBondContact O-N 2.93Å; R98-V101 WeakPolarHBondContact O-CA 3.35Å; R98-V101 WeakPolarHBondContact O-CB 3.29Å; R98-V101 PolarHBondContact O-N 2.9Å; R98-D102 WeakPolarHBondContact CG-OD2 3.48Å; R98-D102 PolarHBondContact O-N 3.33Å
99A98.6Very high98.3Very high52 Ų5263.3 Ų63.343%0.4330%0.301SS..Hα-helixtrans-59.3-32.6-179.900000112.6P95 E96 D102 E103P95-A99 VanDerWaalsContact O-CB 3.29Å; P95-A99 WeakPolarHBondContact O-CB 3.42Å; P95-A99 PolarHBondContact O-N 3.09Å; E96-A99 PolarHBondContact O-N 3.45Å; A99-D102 PolarHBondContact O-N 3.26Å; A99-E103 WeakPolarHBondContact O-CB 3.48Å; A99-E103 PolarHBondContact O-N 3.48Å
100R98.5Very high98.4Very high124 Ų12466 Ų6647%0.46832%0.319SS..Hα-helixtrans-67.4-40.2172.9-68.8-59.8-177.3-168-4.3113.2E96 R97 R98 E103 Y104 C165E96-R100 WeakPolarHBondContact O-CG 3.4Å; E96-R100 PolarHBondContact O-N 2.89Å; R97-R100 PolarHBondContact O-N 3.24Å; R98-R100 PolarHBondContact O-N 2.93Å; R100-E103 WeakPolarHBondContact CD-OE2 3.39Å; R100-E103 IonicContact CZ-OE2 2.87Å; R100-E103 IonicContact NH1-OE1 3.17Å; R100-E103 IonicContact NH1-OE2 2.68Å; R100-E103 PolarHBondContact NH1-OE2 2.93Å; R100-Y104 PolarHBondContact O-N 2.93Å; R100-C165 HydrophobicContact CB-CB 4.1Å; R100-C165 PolarHBondContact O-SG 3.46Å; R100-C165 VanDerWaalsContact O-SG 3.41Å
101V98.8Very high98.4Very high1 Ų166.4 Ų66.41%0.00632%0.322CS..Hα-helixtrans-63.4-48.2172.8179.70000109.4Y91 R97 R98 E103 Y104 T105 C165 L171Y91-V101 HydrophobicContact CD2-CG1 4.2Å; R97-V101 PolarHBondContact O-N 2.97Å; R98-V101 WeakPolarHBondContact O-CA 3.35Å; R98-V101 WeakPolarHBondContact O-CB 3.29Å; R98-V101 PolarHBondContact O-N 2.9Å; V101-E103 VanDerWaalsContact C-N 3.35Å; V101-E103 PolarHBondContact O-N 3.3Å; V101-Y104 PolarHBondContact O-N 2.86Å; V101-T105 HydrophobicContact CG1-CG2 4.16Å; V101-T105 WeakPolarHBondContact O-CG2 3Å; V101-T105 PolarHBondContact O-N 3.48Å; V101-C165 HydrophobicContact CG2-CB 4.02Å; V101-L171 HydrophobicContact CG1-CB 4.1Å
102D98.8Very high98.4Very high48 Ų4864.8 Ų64.826%0.25732%0.316SS..Hα-helixtrans-62.3-38.3179.2-69-34.6000113K78 R98 A99 Y104 T105 A106K78-D102 WeakPolarHBondContact CE-OD1 3.38Å; K78-D102 IonicContact NZ-OD1 3.31Å; K78-D102 PolarHBondContact NZ-OD1 3.32Å; R98-D102 WeakPolarHBondContact CG-OD2 3.48Å; R98-D102 PolarHBondContact O-N 3.33Å; A99-D102 PolarHBondContact O-N 3.26Å; D102-Y104 PolarHBondContact O-N 3.17Å; D102-T105 PolarHBondContact O-N 2.74Å; D102-T105 PolarHBondContact O-OG1 3.29Å; D102-A106 VanDerWaalsContact O-CB 3.3Å; D102-A106 WeakPolarHBondContact O-CB 3.37Å; D102-A106 PolarHBondContact O-N 3.37Å
103E98.8Very high98.4Very high84 Ų8466.8 Ų66.839%0.39332%0.321SS..Hα-helixtrans-58.8-47.3175.3-178.4-179.5-144.900110.6A99 R100 V101 W107 F157A99-E103 WeakPolarHBondContact O-CB 3.48Å; A99-E103 PolarHBondContact O-N 3.48Å; R100-E103 WeakPolarHBondContact CD-OE2 3.39Å; R100-E103 IonicContact CZ-OE2 2.87Å; R100-E103 IonicContact NH1-OE1 3.17Å; R100-E103 IonicContact NH1-OE2 2.68Å; R100-E103 PolarHBondContact NH1-OE2 2.93Å; V101-E103 VanDerWaalsContact C-N 3.35Å; V101-E103 PolarHBondContact O-N 3.3Å; E103-W107 VanDerWaalsContact O-CB 3.22Å; E103-W107 WeakPolarHBondContact O-CB 3.25Å; E103-W107 PolarHBondContact O-N 3.32Å; E103-F157 HydrophobicContact CG-CE1 4.11Å
104Y98.8Very high98.5Very high0 Ų058.4 Ų58.40%030%0.296CS..Hα-helixtrans-66-48.1175.3176.9-90000111.9R100 V101 D102 A106 W107 H108 T112 L153 F157 L164 A172 L175 A176 E179R100-Y104 PolarHBondContact O-N 2.93Å; V101-Y104 PolarHBondContact O-N 2.86Å; D102-Y104 PolarHBondContact O-N 3.17Å; Y104-A106 PolarHBondContact O-N 3.16Å; Y104-W107 HydrophobicContact CD2-CE3 4.2Å; Y104-W107 HydrophobicContact CE2-CE3 4.05Å; Y104-W107 HydrophobicContact CE2-CZ3 4.04Å; Y104-W107 PolarHBondContact O-N 2.81Å; Y104-W107 VanDerWaalsContact O-N 3.07Å; Y104-H108 HydrophobicContact CD1-CB 4.42Å; Y104-H108 HydrophobicContact CE1-CB 3.81Å; Y104-H108 HydrophobicContact CE2-CB 4.3Å; Y104-H108 WeakPolarHBondContact O-CB 3.47Å; Y104-H108 PolarHBondContact O-N 3.4Å; Y104-T112 PolarHBondContact OH-OG1 2.81Å; Y104-L153 HydrophobicContact CD2-CD1 4.24Å; Y104-L153 HydrophobicContact CE2-CD1 3.57Å; Y104-F157 AromaticContact CD2-CD1 3.92Å; Y104-F157 HydrophobicContact CD2-CD1 3.92Å; Y104-F157 HydrophobicContact CD2-CD2 4.26Å; Y104-F157 HydrophobicContact CD2-CE1 4.06Å; Y104-F157 HydrophobicContact CD2-CE2 4.38Å; Y104-F157 HydrophobicContact CD2-CG 4.02Å; Y104-F157 HydrophobicContact CD2-CZ 4.28Å; Y104-F157 HydrophobicContact CG-CD1 4.41Å; Y104-F157 HydrophobicContact CG-CE1 4.43Å; Y104-L164 HydrophobicContact CD2-CD1 4.09Å; Y104-L164 HydrophobicContact CE2-CD1 3.81Å; Y104-A172 HydrophobicContact CD1-CB 3.28Å; Y104-A172 HydrophobicContact CE1-CB 4.04Å; Y104-A172 WeakPolarHBondContact CE1-O 3.48Å; Y104-A172 HydrophobicContact CG-CB 3.62Å; Y104-L175 HydrophobicContact CE1-CB 4.26Å; Y104-A176 HydrophobicContact CE1-CB 4.25Å; Y104-A176 HydrophobicContact CE2-CB 4.36Å; Y104-A176 WeakPolarHBondContact OH-CA 3.32Å; Y104-A176 WeakPolarHBondContact OH-CB 3.33Å; Y104-A176 PolarHBondContact OH-N 3.25Å; Y104-E179 PolarHBondContact OH-OE2 2.89Å
105T98.6Very high98.6Very high1 Ų156.3 Ų56.31%0.00629%0.287CS..Hα-helixtrans-72.8-10.8-177.274.10000113.4D74 K78 V101 D102 H108 H109 L175D74-T105 VanDerWaalsContact CG-CB 3.49Å; D74-T105 WeakPolarHBondContact OD1-CB 3.5Å; D74-T105 WeakPolarHBondContact OD1-CG2 3.21Å; D74-T105 PolarHBondContact OD1-OG1 3.43Å; D74-T105 PolarHBondContact OD2-OG1 3.17Å; D74-T105 VanDerWaalsContact OD2-OG1 3.05Å; K78-T105 PolarHBondContact NZ-OG1 3.19Å; V101-T105 HydrophobicContact CG1-CG2 4.16Å; V101-T105 WeakPolarHBondContact O-CG2 3Å; V101-T105 PolarHBondContact O-N 3.48Å; D102-T105 PolarHBondContact O-N 2.74Å; D102-T105 PolarHBondContact O-OG1 3.29Å; T105-H108 WeakPolarHBondContact CA-CD2 3.38Å; T105-H108 PolarHBondContact O-CD2 2.76Å; T105-H108 PolarHBondContact O-NE2 2.83Å; T105-H109 PolarHBondContact O-CD2 3.39Å; T105-L175 HydrophobicContact CG2-CD1 3.79Å
106A98.8Very high98.6Very high67 Ų6752 Ų5255%0.55426%0.258SS*.Hα-helixtrans-82.9-46.816300000110.7D102 Y104 H108D102-A106 VanDerWaalsContact O-CB 3.3Å; D102-A106 WeakPolarHBondContact O-CB 3.37Å; D102-A106 PolarHBondContact O-N 3.37Å; Y104-A106 PolarHBondContact O-N 3.16Å; A106-H108 PolarHBondContact O-N 2.97Å
107W98.8Very high98.6Very high40 Ų4047.7 Ų47.715%0.15224%0.244CC..Hα-helixtrans-65.4-39.8-175.117888.5000113.7E103 Y104 H109 T110 N111 T112 T149 K152 L153 F157E103-W107 VanDerWaalsContact O-CB 3.22Å; E103-W107 WeakPolarHBondContact O-CB 3.25Å; E103-W107 PolarHBondContact O-N 3.32Å; Y104-W107 HydrophobicContact CD2-CE3 4.2Å; Y104-W107 HydrophobicContact CE2-CE3 4.05Å; Y104-W107 HydrophobicContact CE2-CZ3 4.04Å; Y104-W107 PolarHBondContact O-N 2.81Å; Y104-W107 VanDerWaalsContact O-N 3.07Å; W107-H109 PolarHBondContact O-N 3.25Å; W107-H109 VanDerWaalsContact O-N 3.14Å; W107-T110 PolarHBondContact O-N 3.07Å; W107-T110 PolarHBondContact O-OG1 2.87Å; W107-N111 HydrophobicContact CD2-CB 3.78Å; W107-N111 HydrophobicContact CE3-CB 3.89Å; W107-N111 HydrophobicContact CH2-CB 3.54Å; W107-N111 HydrophobicContact CZ2-CB 3.38Å; W107-N111 VanDerWaalsContact CZ2-CG 3.42Å; W107-N111 HydrophobicContact CZ3-CB 3.78Å; W107-N111 PolarHBondContact NE1-ND2 2.9Å; W107-N111 PolarHBondContact O-N 3.28Å; W107-N111 PolarHBondContact O-ND2 3.49Å; W107-T112 HydrophobicContact CH2-CG2 3.99Å; W107-T112 HydrophobicContact CZ3-CG2 3.59Å; W107-T149 HydrophobicContact CH2-CG2 3.75Å; W107-T149 HydrophobicContact CZ2-CG2 4.38Å; W107-K152 HydrophobicContact CH2-CB 4.39Å; W107-K152 HydrophobicContact CZ2-CB 3.85Å; W107-K152 HydrophobicContact CZ2-CD 4.4Å; W107-L153 HydrophobicContact CH2-CB 4.49Å; W107-L153 HydrophobicContact CZ3-CD1 4.28Å; W107-F157 HydrophobicContact CB-CZ 3.95Å; W107-F157 AromaticContact CD2-CE2 3.61Å; W107-F157 HydrophobicContact CD2-CE2 3.61Å; W107-F157 AromaticContact CD2-CZ 3.8Å; W107-F157 HydrophobicContact CD2-CZ 3.8Å; W107-F157 AromaticContact CE2-CE2 3.92Å; W107-F157 HydrophobicContact CE3-CD2 4.48Å; W107-F157 AromaticContact CE3-CE2 3.65Å; W107-F157 HydrophobicContact CE3-CE2 3.65Å; W107-F157 AromaticContact CE3-CZ 3.99Å; W107-F157 HydrophobicContact CE3-CZ 3.99Å; W107-F157 HydrophobicContact CG-CE2 4.08Å; W107-F157 AromaticContact CG-CZ 3.79Å; W107-F157 HydrophobicContact CG-CZ 3.79Å; W107-F157 HydrophobicContact CH2-CE2 4.27Å; W107-F157 HydrophobicContact CZ2-CE2 4.27Å; W107-F157 HydrophobicContact CZ3-CD2 4.48Å; W107-F157 AromaticContact CZ3-CE2 3.98Å; W107-F157 HydrophobicContact CZ3-CE2 3.98Å
108H98.8Very high98.6Very high0 Ų044.5 Ų44.50%023%0.234CC..G310 helixtrans-61.6-27.8-173.183.9116.3000113.3Y104 T105 A106 T110 N111 T112 R113 E179Y104-H108 HydrophobicContact CD1-CB 4.42Å; Y104-H108 HydrophobicContact CE1-CB 3.81Å; Y104-H108 HydrophobicContact CE2-CB 4.3Å; Y104-H108 WeakPolarHBondContact O-CB 3.47Å; Y104-H108 PolarHBondContact O-N 3.4Å; T105-H108 WeakPolarHBondContact CA-CD2 3.38Å; T105-H108 PolarHBondContact O-CD2 2.76Å; T105-H108 PolarHBondContact O-NE2 2.83Å; A106-H108 PolarHBondContact O-N 2.97Å; H108-T110 PolarHBondContact O-N 2.83Å; H108-N111 PolarHBondContact O-N 2.73Å; H108-N111 VanDerWaalsContact O-N 3.15Å; H108-T112 VanDerWaalsContact CB-OG1 3.29Å; H108-T112 WeakPolarHBondContact CB-OG1 3.3Å; H108-R113 VanDerWaalsContact O-CB 3.29Å; H108-R113 WeakPolarHBondContact O-CB 3.04Å; H108-R113 PolarHBondContact O-N 2.72Å; H108-E179 IonicContact CE1-OE1 3.24Å; H108-E179 PolarHBondContact CE1-OE1 3.24Å; H108-E179 IonicContact CG-OE1 3.58Å; H108-E179 IonicContact ND1-OE1 3.75Å; H108-E179 PolarHBondContact ND1-OE1 3.03Å; H108-E179 IonicContact ND1-OE2 2.73Å
109H98.5Very high98.6Very high68 Ų6841.3 Ų41.332%0.31522%0.222SC..G310 helixtrans-59.4-29.6-178.7-82.7-71.5000113.6T105 W107 P114T105-H109 PolarHBondContact O-CD2 3.39Å; W107-H109 PolarHBondContact O-N 3.25Å; W107-H109 VanDerWaalsContact O-N 3.14Å; H109-P114 WeakPolarHBondContact O-CD 3.21Å
110T98.4Very high98.6Very high101 Ų10139 Ų3962%0.6220%0.203SC*.G310 helixtrans-113.46.4179.254.80000113W107 H108 P114W107-T110 PolarHBondContact O-N 3.07Å; W107-T110 PolarHBondContact O-OG1 2.87Å; H108-T110 PolarHBondContact O-N 2.83Å; T110-P114 VanDerWaalsContact C-CG 3.47Å
111N98.8Very high98.5Very high21 Ų2136.2 Ų36.211%0.11220%0.196CC..THydrogen-bonded Turntrans-129.6-99.9-175.5-67-88.6000111.8W107 H108 R113 P114 H115 T149W107-N111 HydrophobicContact CD2-CB 3.78Å; W107-N111 HydrophobicContact CE3-CB 3.89Å; W107-N111 HydrophobicContact CH2-CB 3.54Å; W107-N111 HydrophobicContact CZ2-CB 3.38Å; W107-N111 VanDerWaalsContact CZ2-CG 3.42Å; W107-N111 HydrophobicContact CZ3-CB 3.78Å; W107-N111 PolarHBondContact NE1-ND2 2.9Å; W107-N111 PolarHBondContact O-N 3.28Å; W107-N111 PolarHBondContact O-ND2 3.49Å; H108-N111 PolarHBondContact O-N 2.73Å; H108-N111 VanDerWaalsContact O-N 3.15Å; N111-R113 VanDerWaalsContact C-N 3.29Å; N111-R113 PolarHBondContact O-N 3.05Å; N111-P114 WeakPolarHBondContact O-CD 3.49Å; N111-P114 WeakPolarHBondContact O-CG 3.4Å; N111-H115 WeakPolarHBondContact O-CB 3.14Å; N111-H115 VanDerWaalsContact O-CG 3.26Å; N111-H115 PolarHBondContact O-N 3.36Å; N111-H115 PolarHBondContact O-ND1 3.49Å; N111-T149 HydrophobicContact CB-CG2 4.01Å
112T98.6Very high98.4Very high0 Ų037.5 Ų37.50%020%0.203CC..Hα-helixtrans-53.7-44.1-173.444.70000112.8Y104 W107 H108 A116 T149 L153 E179 L180Y104-T112 PolarHBondContact OH-OG1 2.81Å; W107-T112 HydrophobicContact CH2-CG2 3.99Å; W107-T112 HydrophobicContact CZ3-CG2 3.59Å; H108-T112 VanDerWaalsContact CB-OG1 3.29Å; H108-T112 WeakPolarHBondContact CB-OG1 3.3Å; T112-A116 WeakPolarHBondContact O-CB 3.22Å; T112-A116 PolarHBondContact O-N 3.02Å; T112-T149 HydrophobicContact CG2-CG2 3.66Å; T112-L153 HydrophobicContact CG2-CD1 4.37Å; T112-L153 HydrophobicContact CG2-CD2 4.3Å; T112-E179 WeakPolarHBondContact CB-OE2 3.39Å; T112-E179 PolarHBondContact OG1-OE2 3.48Å; T112-L180 HydrophobicContact CG2-CD2 4.47Å
113R98.6Very high98.2Very high58 Ų5837.1 Ų37.122%0.21920%0.199CC..Hα-helixtrans-60-64.2-179.4-174.9-169173.7125.8-6.4112.5Q18 H108 N111 H115 A117 E179Q18-R113 VanDerWaalsContact OE1-CG 3.32Å; Q18-R113 PolarHBondContact OE1-O 3.17Å; H108-R113 VanDerWaalsContact O-CB 3.29Å; H108-R113 WeakPolarHBondContact O-CB 3.04Å; H108-R113 PolarHBondContact O-N 2.72Å; N111-R113 VanDerWaalsContact C-N 3.29Å; N111-R113 PolarHBondContact O-N 3.05Å; R113-H115 PolarHBondContact O-N 3.33Å; R113-A117 VanDerWaalsContact O-CB 3.23Å; R113-A117 WeakPolarHBondContact O-CB 3.48Å; R113-A117 PolarHBondContact O-N 3.23Å; R113-E179 HydrophobicContact CB-CG 4.07Å; R113-E179 WeakPolarHBondContact CB-OE1 3.49Å; R113-E179 HydrophobicContact CG-CG 4.35Å; R113-E179 PolarHBondContact N-OE2 2.88Å
114P98.6Very high97.9Very high50 Ų5034.5 Ų34.533%0.32519%0.189SC..Hα-helixtrans-65.9-36.6-177.626-35.7000112.7H109 T110 N111 A117 K118H109-P114 WeakPolarHBondContact O-CD 3.21Å; T110-P114 VanDerWaalsContact C-CG 3.47Å; N111-P114 WeakPolarHBondContact O-CD 3.49Å; N111-P114 WeakPolarHBondContact O-CG 3.4Å; P114-A117 PolarHBondContact O-N 3.1Å; P114-K118 VanDerWaalsContact O-CB 3.24Å; P114-K118 WeakPolarHBondContact O-CB 3.06Å; P114-K118 PolarHBondContact O-N 2.88Å
115H98.8Very high97.7Very high42 Ų4236.7 Ų36.719%0.19420%0.2CC..Hα-helixtrans-70.2-42.3-177.6-62.3149.4000112.3N111 R113 A117 K118 V119 L146 T149N111-H115 WeakPolarHBondContact O-CB 3.14Å; N111-H115 VanDerWaalsContact O-CG 3.26Å; N111-H115 PolarHBondContact O-N 3.36Å; N111-H115 PolarHBondContact O-ND1 3.49Å; R113-H115 PolarHBondContact O-N 3.33Å; H115-A117 VanDerWaalsContact C-N 3.35Å; H115-K118 PolarHBondContact O-N 3.19Å; H115-V119 PolarHBondContact O-N 3.36Å; H115-L146 HydrophobicContact CB-CB 4.23Å; H115-L146 HydrophobicContact CB-CD1 4.14Å; H115-T149 PolarHBondContact CE1-OG1 3.16Å; H115-T149 PolarHBondContact ND1-OG1 2.94Å
116A98.6Very high97.5Very high0 Ų039.7 Ų39.70%022%0.216CC..Hα-helixtrans-67.8-36.1173.400000112.1T112 F120 L146 E179 P183T112-A116 WeakPolarHBondContact O-CB 3.22Å; T112-A116 PolarHBondContact O-N 3.02Å; A116-F120 PolarHBondContact O-N 3.07Å; A116-L146 HydrophobicContact CB-CD1 4.22Å; A116-E179 VanDerWaalsContact CB-O 3.23Å; A116-E179 WeakPolarHBondContact CB-O 3.5Å; A116-P183 HydrophobicContact CB-CG 4.32Å
117A98.2Very high97.2Very high34 Ų3437.8 Ų37.828%0.28120%0.198SC..Hα-helixtrans-65.7-37.8174.700000112.3R113 P114 H115 F120 L121R113-A117 VanDerWaalsContact O-CB 3.23Å; R113-A117 WeakPolarHBondContact O-CB 3.48Å; R113-A117 PolarHBondContact O-N 3.23Å; P114-A117 PolarHBondContact O-N 3.1Å; H115-A117 VanDerWaalsContact C-N 3.35Å; A117-F120 PolarHBondContact O-N 3.44Å; A117-L121 VanDerWaalsContact O-CB 3.32Å; A117-L121 WeakPolarHBondContact O-CB 3.36Å; A117-L121 PolarHBondContact O-N 2.68Å
118K98.5Very high96.8Very high76 Ų7642.1 Ų42.133%0.3322%0.22SC..Hα-helixtrans-63.7-42.8-179.5-172.2-178.8177.2-176.80111.5P114 H115 L121 M122 A142 D145P114-K118 VanDerWaalsContact O-CB 3.24Å; P114-K118 WeakPolarHBondContact O-CB 3.06Å; P114-K118 PolarHBondContact O-N 2.88Å; H115-K118 PolarHBondContact O-N 3.19Å; K118-L121 PolarHBondContact O-N 2.9Å; K118-M122 VanDerWaalsContact O-CG 3.3Å; K118-M122 WeakPolarHBondContact O-CG 3.25Å; K118-M122 PolarHBondContact O-N 2.84Å; K118-A142 HydrophobicContact CB-CB 4.36Å; K118-A142 HydrophobicContact CD-CB 3.94Å; K118-A142 HydrophobicContact CG-CB 3.78Å; K118-D145 IonicContact NZ-OD2 2.66Å; K118-D145 PolarHBondContact NZ-OD2 2.96Å
119V98.4Very high96.4Very high0 Ų049.2 Ų49.20%026%0.255CS..Hα-helixtrans-57.8-51.7173.91750000110.4H115 L121 M122 E123 A142 L143 L146 P183H115-V119 PolarHBondContact O-N 3.36Å; V119-L121 VanDerWaalsContact C-N 3.32Å; V119-L121 PolarHBondContact O-N 2.9Å; V119-M122 PolarHBondContact O-N 3.19Å; V119-E123 HydrophobicContact CG1-CG 4.45Å; V119-E123 VanDerWaalsContact CG1-OE2 3.29Å; V119-E123 WeakPolarHBondContact CG1-OE2 3.47Å; V119-E123 WeakPolarHBondContact O-CB 3.42Å; V119-E123 WeakPolarHBondContact O-CG 3.29Å; V119-E123 PolarHBondContact O-N 3.4Å; V119-A142 HydrophobicContact CG2-CB 3.95Å; V119-L143 HydrophobicContact CG1-CD2 3.92Å; V119-L143 HydrophobicContact CG2-CD2 3.9Å; V119-L143 HydrophobicContact CG2-CG 4.39Å; V119-L146 HydrophobicContact CG2-CB 4.32Å; V119-L146 HydrophobicContact CG2-CD2 3.86Å; V119-P183 HydrophobicContact CB-CG 4.31Å; V119-P183 HydrophobicContact CG1-CB 3.98Å; V119-P183 HydrophobicContact CG1-CG 4.27Å
120F97.5Very high96.2Very high5 Ų550 Ų502%0.02226%0.264CS..Hα-helixtrans-61.7-37.6177.8-179.6-103000113.3L16 A116 A117 V124 L125 Q182 L222L16-F120 HydrophobicContact CD1-CE1 4.05Å; L16-F120 HydrophobicContact CD1-CZ 3.75Å; A116-F120 PolarHBondContact O-N 3.07Å; A117-F120 PolarHBondContact O-N 3.44Å; F120-V124 HydrophobicContact CD2-CB 3.93Å; F120-V124 HydrophobicContact CD2-CG1 4.49Å; F120-V124 HydrophobicContact CD2-CG2 3.69Å; F120-V124 HydrophobicContact CE2-CB 3.68Å; F120-V124 HydrophobicContact CE2-CG1 3.74Å; F120-V124 HydrophobicContact CE2-CG2 3.7Å; F120-V124 HydrophobicContact CZ-CB 4.07Å; F120-V124 HydrophobicContact CZ-CG1 3.92Å; F120-V124 WeakPolarHBondContact O-CA 3.38Å; F120-V124 VanDerWaalsContact O-CB 3.29Å; F120-V124 WeakPolarHBondContact O-CB 3.49Å; F120-V124 PolarHBondContact O-N 3.13Å; F120-L125 HydrophobicContact CD1-CD1 3.91Å; F120-L125 HydrophobicContact CD1-CG 3.89Å; F120-L125 HydrophobicContact CE1-CD1 3.69Å; F120-L125 HydrophobicContact CE1-CD2 3.74Å; F120-L125 HydrophobicContact CE1-CG 3.46Å; F120-L125 VanDerWaalsContact CE1-CG 3.46Å; F120-L125 HydrophobicContact CZ-CD2 4.18Å; F120-L125 HydrophobicContact CZ-CG 4.22Å; F120-L125 PolarHBondContact O-N 3.44Å; F120-Q182 HydrophobicContact CB-CG 3.62Å; F120-Q182 HydrophobicContact CD1-CG 3.99Å; F120-Q182 HydrophobicContact CD2-CG 4.28Å; F120-Q182 WeakPolarHBondContact CD2-O 3.35Å; F120-Q182 VanDerWaalsContact CE1-NE2 3.27Å; F120-Q182 HydrophobicContact CG-CG 3.7Å; F120-L222 HydrophobicContact CE2-CD1 4.13Å; F120-L222 HydrophobicContact CZ-CD1 3.88Å
121L96.8Very high96Very high64 Ų6448.3 Ų48.334%0.33527%0.268SS..Iπ-helixtrans-62.7-48.5176.3177.764.9000111.2A117 K118 V119 L125 L126A117-L121 VanDerWaalsContact O-CB 3.32Å; A117-L121 WeakPolarHBondContact O-CB 3.36Å; A117-L121 PolarHBondContact O-N 2.68Å; K118-L121 PolarHBondContact O-N 2.9Å; V119-L121 VanDerWaalsContact C-N 3.32Å; V119-L121 PolarHBondContact O-N 2.9Å; L121-L125 HydrophobicContact CD1-CB 3.88Å; L121-L125 HydrophobicContact CD1-CD1 4.11Å; L121-L125 PolarHBondContact O-N 3.38Å; L121-L126 HydrophobicContact CD1-CD2 4.34Å; L121-L126 HydrophobicContact CD1-CG 3.96Å; L121-L126 HydrophobicContact CG-CD1 4.27Å; L121-L126 HydrophobicContact CG-CG 4.08Å; L121-L126 WeakPolarHBondContact O-CB 3.15Å; L121-L126 WeakPolarHBondContact O-CG 3.39Å; L121-L126 PolarHBondContact O-N 2.9Å
122M96.9Very high95.7Very high29 Ų2953.4 Ų53.414%0.14329%0.29CS..Iπ-helixtrans-69.3-39.8-178.3-64.4-55.9120.400112.5K118 V119 L126 P127 A134 K138 V139 A142K118-M122 VanDerWaalsContact O-CG 3.3Å; K118-M122 WeakPolarHBondContact O-CG 3.25Å; K118-M122 PolarHBondContact O-N 2.84Å; V119-M122 PolarHBondContact O-N 3.19Å; M122-L126 HydrophobicContact CE-CD1 3.54Å; M122-L126 HydrophobicContact SD-CD1 3.67Å; M122-P127 VanDerWaalsContact O-CD 3.28Å; M122-P127 WeakPolarHBondContact O-CD 3.25Å; M122-P127 WeakPolarHBondContact O-CG 3.34Å; M122-A134 WeakPolarHBondContact O-CB 3.41Å; M122-K138 HydrophobicContact CG-CB 4.38Å; M122-K138 HydrophobicContact SD-CB 3.97Å; M122-K138 HydrophobicContact SD-CD 4.24Å; M122-V139 HydrophobicContact CB-CG2 3.87Å; M122-A142 HydrophobicContact CG-CB 4.46Å
123E94.2Very high95.5Very high39 Ų3958.8 Ų58.818%0.18233%0.325CS..Iπ-helixtrans-86-29.6-174.6-67.3-173.5139.300113.7V119 V139 R188V119-E123 HydrophobicContact CG1-CG 4.45Å; V119-E123 VanDerWaalsContact CG1-OE2 3.29Å; V119-E123 WeakPolarHBondContact CG1-OE2 3.47Å; V119-E123 WeakPolarHBondContact O-CB 3.42Å; V119-E123 WeakPolarHBondContact O-CG 3.29Å; V119-E123 PolarHBondContact O-N 3.4Å; E123-V139 HydrophobicContact CG-CG1 3.82Å; E123-V139 HydrophobicContact CG-CG2 3.85Å; E123-V139 WeakPolarHBondContact OE1-CG1 3.22Å; E123-R188 IonicContact OE1-CZ 2.68Å; E123-R188 IonicContact OE1-NE 3.44Å; E123-R188 PolarHBondContact OE1-NE 2.88Å; E123-R188 IonicContact OE1-NH2 3.75Å; E123-R188 PolarHBondContact OE1-NH2 3.37Å; E123-R188 IonicContact OE2-NE 2.72Å; E123-R188 PolarHBondContact OE2-NE 3.15Å
124V94Very high95.3Very high29 Ų2957.8 Ų57.818%0.17633%0.33CS..Iπ-helixtrans-121.6-58.3-168.8-172.20000112.1F120 H128F120-V124 HydrophobicContact CD2-CB 3.93Å; F120-V124 HydrophobicContact CD2-CG1 4.49Å; F120-V124 HydrophobicContact CD2-CG2 3.69Å; F120-V124 HydrophobicContact CE2-CB 3.68Å; F120-V124 HydrophobicContact CE2-CG1 3.74Å; F120-V124 HydrophobicContact CE2-CG2 3.7Å; F120-V124 HydrophobicContact CZ-CB 4.07Å; F120-V124 HydrophobicContact CZ-CG1 3.92Å; F120-V124 WeakPolarHBondContact O-CA 3.38Å; F120-V124 VanDerWaalsContact O-CB 3.29Å; F120-V124 WeakPolarHBondContact O-CB 3.49Å; F120-V124 PolarHBondContact O-N 3.13Å; V124-H128 VanDerWaalsContact O-CB 3.24Å; V124-H128 WeakPolarHBondContact O-CB 3.08Å; V124-H128 PolarHBondContact O-N 3.03Å; V124-H128 VanDerWaalsContact O-N 3.14Å
125L92.9Very high95.1Very high46 Ų4658.5 Ų58.524%0.24133%0.331CS..Iπ-helixtrans-71.9-48.3-170.4-67.4179.9000112.6F120 L121 H128 M129F120-L125 HydrophobicContact CD1-CD1 3.91Å; F120-L125 HydrophobicContact CD1-CG 3.89Å; F120-L125 HydrophobicContact CE1-CD1 3.69Å; F120-L125 HydrophobicContact CE1-CD2 3.74Å; F120-L125 HydrophobicContact CE1-CG 3.46Å; F120-L125 VanDerWaalsContact CE1-CG 3.46Å; F120-L125 HydrophobicContact CZ-CD2 4.18Å; F120-L125 HydrophobicContact CZ-CG 4.22Å; F120-L125 PolarHBondContact O-N 3.44Å; L121-L125 HydrophobicContact CD1-CB 3.88Å; L121-L125 HydrophobicContact CD1-CD1 4.11Å; L121-L125 PolarHBondContact O-N 3.38Å; L125-H128 PolarHBondContact O-N 3.28Å; L125-M129 WeakPolarHBondContact O-CB 3.32Å; L125-M129 VanDerWaalsContact O-CG 3.27Å; L125-M129 WeakPolarHBondContact O-CG 3.31Å; L125-M129 PolarHBondContact O-N 3.29Å
126L94.2Very high95Very high65 Ų6561.5 Ų61.534%0.3435%0.354SS..Hα-helixtrans-61.2-49.6179.8-74.4178.3000111.5L121 M122 H128 M129 T130L121-L126 HydrophobicContact CD1-CD2 4.34Å; L121-L126 HydrophobicContact CD1-CG 3.96Å; L121-L126 HydrophobicContact CG-CD1 4.27Å; L121-L126 HydrophobicContact CG-CG 4.08Å; L121-L126 WeakPolarHBondContact O-CB 3.15Å; L121-L126 WeakPolarHBondContact O-CG 3.39Å; L121-L126 PolarHBondContact O-N 2.9Å; M122-L126 HydrophobicContact CE-CD1 3.54Å; M122-L126 HydrophobicContact SD-CD1 3.67Å; L126-H128 VanDerWaalsContact C-N 3.28Å; L126-H128 PolarHBondContact O-N 2.99Å; L126-M129 PolarHBondContact O-N 3.45Å; L126-M129 VanDerWaalsContact O-N 3.11Å; L126-T130 WeakPolarHBondContact O-CG2 3.3Å; L126-T130 PolarHBondContact O-N 2.74Å; L126-T130 PolarHBondContact O-OG1 3.23Å
127P93.5Very high94.9Very high27 Ų2766.5 Ų66.518%0.17538%0.38CS..Hα-helixtrans-57.8-39.2175.5-29.538.3000113.8M122 G131 Q132 A134M122-P127 VanDerWaalsContact O-CD 3.28Å; M122-P127 WeakPolarHBondContact O-CD 3.25Å; M122-P127 WeakPolarHBondContact O-CG 3.34Å; P127-G131 VanDerWaalsContact O-CA 3.29Å; P127-G131 WeakPolarHBondContact O-CA 3.23Å; P127-G131 PolarHBondContact O-N 3.29Å; P127-Q132 WeakPolarHBondContact CA-O 3.31Å; P127-Q132 VanDerWaalsContact CB-O 3.24Å; P127-Q132 WeakPolarHBondContact CB-O 3.33Å; P127-A134 HydrophobicContact CG-CB 3.91Å
128H90.6Very high94.9Very high130 Ų13070 Ų7060%0.60239%0.389SS*.Hα-helixtrans-66.9-36.5177.2-17659.8000113V124 L125 L126V124-H128 VanDerWaalsContact O-CB 3.24Å; V124-H128 WeakPolarHBondContact O-CB 3.08Å; V124-H128 PolarHBondContact O-N 3.03Å; V124-H128 VanDerWaalsContact O-N 3.14Å; L125-H128 PolarHBondContact O-N 3.28Å; L126-H128 VanDerWaalsContact C-N 3.28Å; L126-H128 PolarHBondContact O-N 2.99Å
129M90.4Very high94.8Very high149 Ų14967.1 Ų67.173%0.73438%0.378SS*.Hα-helixtrans-79-37-179.1-72.3176.964.100113.1L125 L126L125-M129 WeakPolarHBondContact O-CB 3.32Å; L125-M129 VanDerWaalsContact O-CG 3.27Å; L125-M129 WeakPolarHBondContact O-CG 3.31Å; L125-M129 PolarHBondContact O-N 3.29Å; L126-M129 PolarHBondContact O-N 3.45Å; L126-M129 VanDerWaalsContact O-N 3.11Å
130T93.7Very high94.8Very high84 Ų8473.4 Ų73.452%0.51541%0.407SS..Hα-helixtrans-96.6-17.3-174.965.20000113.3L126 Q132L126-T130 WeakPolarHBondContact O-CG2 3.3Å; L126-T130 PolarHBondContact O-N 2.74Å; L126-T130 PolarHBondContact O-OG1 3.23Å; T130-Q132 PolarHBondContact O-N 3.04Å; T130-Q132 WeakPolarHBondContact OG1-CB 3.46Å; T130-Q132 PolarHBondContact OG1-N 3.17Å
131G93.7Very high94.8Very high67 Ų6781.1 Ų81.169%0.69144%0.436SS*.SBendtrans70.74.3-170.900000114.1P127P127-G131 VanDerWaalsContact O-CA 3.29Å; P127-G131 WeakPolarHBondContact O-CA 3.23Å; P127-G131 PolarHBondContact O-N 3.29Å
132Q94.1Very high94.9Very high127 Ų12778 Ų7859%0.59342%0.42SS*.SBendtrans-95151.4179.9-61.5-58.8-42.700111P127 T130P127-Q132 WeakPolarHBondContact CA-O 3.31Å; P127-Q132 VanDerWaalsContact CB-O 3.24Å; P127-Q132 WeakPolarHBondContact CB-O 3.33Å; T130-Q132 PolarHBondContact O-N 3.04Å; T130-Q132 WeakPolarHBondContact OG1-CB 3.46Å; T130-Q132 PolarHBondContact OG1-N 3.17Å
133P93.3Very high95Very high113 Ų11378.8 Ų78.873%0.73442%0.424SS*.PPolyproline II helixtrans-61.8157.2172.827.3-34.5000111.5
134A94.1Very high95.2Very high38 Ų3879.4 Ų79.431%0.31444%0.436SS..PPolyproline II helixtrans-63.3136.7174.100000110.5M122 P127 P136 V139M122-A134 WeakPolarHBondContact O-CB 3.41Å; P127-A134 HydrophobicContact CG-CB 3.91Å; A134-P136 VanDerWaalsContact O-CD 3.26Å; A134-P136 WeakPolarHBondContact O-CD 3.24Å; A134-V139 HydrophobicContact CB-CG2 4.01Å
135D95.3Very high95.4Very high65 Ų6580.5 Ų80.535%0.34844%0.441SS..  trans-73.6112.8175.2177.8-21.5000109.5L137 K138 V139D135-L137 VanDerWaalsContact C-N 3.27Å; D135-L137 PolarHBondContact O-N 2.77Å; D135-L137 PolarHBondContact OD1-N 3.5Å; D135-L137 VanDerWaalsContact OD1-N 3.1Å; D135-K138 HydrophobicContact CB-CB 4.1Å; D135-K138 HydrophobicContact CB-CD 3.94Å; D135-K138 HydrophobicContact CB-CG 4.11Å; D135-K138 PolarHBondContact O-N 2.82Å; D135-K138 VanDerWaalsContact O-N 3.14Å; D135-K138 PolarHBondContact OD1-N 3.36Å; D135-K138 VanDerWaalsContact OD2-CD 3.31Å; D135-K138 WeakPolarHBondContact OD2-CD 3.1Å; D135-K138 WeakPolarHBondContact OD2-CE 3.33Å; D135-K138 WeakPolarHBondContact OD2-CG 3.48Å; D135-K138 IonicContact OD2-NZ 3.33Å; D135-K138 PolarHBondContact OD2-NZ 3.04Å; D135-V139 WeakPolarHBondContact O-CG2 3.21Å; D135-V139 PolarHBondContact O-N 3.24Å
136P96.1Very high95.7Very high104 Ų10478.4 Ų78.468%0.67543%0.43SS*.Hα-helixtrans-58.5-37.8-173.4-25.235.3000113.1A134 V139 E140A134-P136 VanDerWaalsContact O-CD 3.26Å; A134-P136 WeakPolarHBondContact O-CD 3.24Å; P136-V139 PolarHBondContact O-N 3.48Å; P136-E140 WeakPolarHBondContact O-CB 3.13Å; P136-E140 PolarHBondContact O-N 2.88Å
137L97.3Very high95.9Very high105 Ų10577.8 Ų77.855%0.5543%0.431SS..Hα-helixtrans-69.1-36.5-179-66.9175.6000111.6D135 R141D135-L137 VanDerWaalsContact C-N 3.27Å; D135-L137 PolarHBondContact O-N 2.77Å; D135-L137 PolarHBondContact OD1-N 3.5Å; D135-L137 VanDerWaalsContact OD1-N 3.1Å; L137-R141 VanDerWaalsContact O-CG 3.28Å; L137-R141 WeakPolarHBondContact O-CG 3.45Å; L137-R141 PolarHBondContact O-N 3.02Å; L137-R141 VanDerWaalsContact O-N 3.1Å
138K97.1Very high96.1Very high109 Ų10980.5 Ų80.547%0.47444%0.444SS..Hα-helixtrans-71-38.1176.2-69.8178.7-172.51550111.8M122 D135 A142M122-K138 HydrophobicContact CG-CB 4.38Å; M122-K138 HydrophobicContact SD-CB 3.97Å; M122-K138 HydrophobicContact SD-CD 4.24Å; D135-K138 HydrophobicContact CB-CB 4.1Å; D135-K138 HydrophobicContact CB-CD 3.94Å; D135-K138 HydrophobicContact CB-CG 4.11Å; D135-K138 PolarHBondContact O-N 2.82Å; D135-K138 VanDerWaalsContact O-N 3.14Å; D135-K138 PolarHBondContact OD1-N 3.36Å; D135-K138 VanDerWaalsContact OD2-CD 3.31Å; D135-K138 WeakPolarHBondContact OD2-CD 3.1Å; D135-K138 WeakPolarHBondContact OD2-CE 3.33Å; D135-K138 WeakPolarHBondContact OD2-CG 3.48Å; D135-K138 IonicContact OD2-NZ 3.33Å; D135-K138 PolarHBondContact OD2-NZ 3.04Å; K138-A142 WeakPolarHBondContact O-CB 3.33Å; K138-A142 PolarHBondContact O-N 3.41Å
139V97.3Very high96.5Very high15 Ų1574.4 Ų74.49%0.09142%0.416CS..Hα-helixtrans-64.3-47.9175173.90000110.2M122 E123 A134 D135 P136 R141 A142 L143M122-V139 HydrophobicContact CB-CG2 3.87Å; E123-V139 HydrophobicContact CG-CG1 3.82Å; E123-V139 HydrophobicContact CG-CG2 3.85Å; E123-V139 WeakPolarHBondContact OE1-CG1 3.22Å; A134-V139 HydrophobicContact CB-CG2 4.01Å; D135-V139 WeakPolarHBondContact O-CG2 3.21Å; D135-V139 PolarHBondContact O-N 3.24Å; P136-V139 PolarHBondContact O-N 3.48Å; V139-R141 PolarHBondContact O-N 2.96Å; V139-A142 PolarHBondContact O-N 2.93Å; V139-A142 VanDerWaalsContact O-N 3.17Å; V139-L143 HydrophobicContact CG1-CD1 3.85Å; V139-L143 HydrophobicContact CG1-CG 4.35Å; V139-L143 WeakPolarHBondContact O-CG 3.45Å; V139-L143 PolarHBondContact O-N 3.5Å
140E98Very high96.9Very high131 Ų13167.5 Ų67.561%0.61238%0.382SS*.Hα-helixtrans-56.7-47.8177.8-175.3-179.3-173.500111.9P136 A142 L143 A144P136-E140 WeakPolarHBondContact O-CB 3.13Å; P136-E140 PolarHBondContact O-N 2.88Å; E140-A142 PolarHBondContact O-N 3.11Å; E140-L143 WeakPolarHBondContact O-CB 3.34Å; E140-L143 PolarHBondContact O-N 3.46Å; E140-A144 PolarHBondContact O-N 3.07Å
141R98.3Very high97.2Very high167 Ų16768.5 Ų68.563%0.6338%0.381SS*.Hα-helixtrans-60.6-43.4175.8-72.1172.8-176.3178.61.7112.6L137 V139 L143 A144 D145L137-R141 VanDerWaalsContact O-CG 3.28Å; L137-R141 WeakPolarHBondContact O-CG 3.45Å; L137-R141 PolarHBondContact O-N 3.02Å; L137-R141 VanDerWaalsContact O-N 3.1Å; V139-R141 PolarHBondContact O-N 2.96Å; R141-L143 VanDerWaalsContact C-N 3.27Å; R141-L143 PolarHBondContact O-N 3.39Å; R141-A144 PolarHBondContact O-N 3.44Å; R141-D145 VanDerWaalsContact O-CG 3.29Å; R141-D145 PolarHBondContact O-N 3.42Å
142A98.5Very high97.4Very high0 Ų069.7 Ų69.70%037%0.367CS..Hα-helixtrans-63.6-35177.300000112.3K118 V119 M122 K138 V139 E140 L146K118-A142 HydrophobicContact CB-CB 4.36Å; K118-A142 HydrophobicContact CD-CB 3.94Å; K118-A142 HydrophobicContact CG-CB 3.78Å; V119-A142 HydrophobicContact CG2-CB 3.95Å; M122-A142 HydrophobicContact CG-CB 4.46Å; K138-A142 WeakPolarHBondContact O-CB 3.33Å; K138-A142 PolarHBondContact O-N 3.41Å; V139-A142 PolarHBondContact O-N 2.93Å; V139-A142 VanDerWaalsContact O-N 3.17Å; E140-A142 PolarHBondContact O-N 3.11Å; A142-L146 WeakPolarHBondContact O-CB 3.3Å; A142-L146 PolarHBondContact O-N 3.09Å; A142-L146 VanDerWaalsContact O-N 3.12Å
143L98.4Very high97.6Very high45 Ų4563.7 Ų63.724%0.23634%0.339CS..Hα-helixtrans-71-37.7175.4-69.7169.7000112.2V119 V139 E140 R141 L146 S147 R188V119-L143 HydrophobicContact CG1-CD2 3.92Å; V119-L143 HydrophobicContact CG2-CD2 3.9Å; V119-L143 HydrophobicContact CG2-CG 4.39Å; V139-L143 HydrophobicContact CG1-CD1 3.85Å; V139-L143 HydrophobicContact CG1-CG 4.35Å; V139-L143 WeakPolarHBondContact O-CG 3.45Å; V139-L143 PolarHBondContact O-N 3.5Å; E140-L143 WeakPolarHBondContact O-CB 3.34Å; E140-L143 PolarHBondContact O-N 3.46Å; R141-L143 VanDerWaalsContact C-N 3.27Å; R141-L143 PolarHBondContact O-N 3.39Å; L143-L146 PolarHBondContact O-N 3.43Å; L143-S147 WeakPolarHBondContact O-CB 3.17Å; L143-S147 PolarHBondContact O-N 3.22Å; L143-R188 VanDerWaalsContact CD2-CD 3.5Å
144A98.5Very high97.9Very high51 Ų5159.5 Ų59.542%0.42131%0.309SS..Hα-helixtrans-61.5-50.8173.500000111.1E140 R141 L146 S147 D148E140-A144 PolarHBondContact O-N 3.07Å; R141-A144 PolarHBondContact O-N 3.44Å; A144-L146 VanDerWaalsContact C-N 3.26Å; A144-L146 PolarHBondContact O-N 3.28Å; A144-S147 WeakPolarHBondContact O-CB 3.38Å; A144-S147 PolarHBondContact O-N 3.02Å; A144-D148 PolarHBondContact O-N 2.95Å
145D98.6Very high98Very high52 Ų5261.8 Ų61.828%0.27832%0.316SS..Hα-helixtrans-55.3-42.6176.4-63.7-25.8000111.8K118 R141 T149K118-D145 IonicContact NZ-OD2 2.66Å; K118-D145 PolarHBondContact NZ-OD2 2.96Å; R141-D145 VanDerWaalsContact O-CG 3.29Å; R141-D145 PolarHBondContact O-N 3.42Å; D145-T149 WeakPolarHBondContact O-CB 3.29Å; D145-T149 PolarHBondContact O-N 2.89Å; D145-T149 PolarHBondContact O-OG1 3.25Å
146L98.7Very high98.1Very high3 Ų362.9 Ų62.92%0.01632%0.32CS..Hα-helixtrans-69.4-38.3177.2-179.258.9000111.9H115 A116 V119 A142 L143 A144 T149 L150 L180 P183 I190H115-L146 HydrophobicContact CB-CB 4.23Å; H115-L146 HydrophobicContact CB-CD1 4.14Å; A116-L146 HydrophobicContact CB-CD1 4.22Å; V119-L146 HydrophobicContact CG2-CB 4.32Å; V119-L146 HydrophobicContact CG2-CD2 3.86Å; A142-L146 WeakPolarHBondContact O-CB 3.3Å; A142-L146 PolarHBondContact O-N 3.09Å; A142-L146 VanDerWaalsContact O-N 3.12Å; L143-L146 PolarHBondContact O-N 3.43Å; A144-L146 VanDerWaalsContact C-N 3.26Å; A144-L146 PolarHBondContact O-N 3.28Å; L146-T149 WeakPolarHBondContact O-CB 3.46Å; L146-T149 PolarHBondContact O-N 3.17Å; L146-L150 HydrophobicContact CD1-CD1 4.47Å; L146-L150 HydrophobicContact CD1-CG 4.22Å; L146-L150 HydrophobicContact CG-CD1 4.11Å; L146-L150 HydrophobicContact CG-CG 4.34Å; L146-L150 VanDerWaalsContact O-CG 3.26Å; L146-L150 WeakPolarHBondContact O-CG 3.21Å; L146-L150 PolarHBondContact O-N 2.96Å; L146-L180 HydrophobicContact CD1-CD2 4.32Å; L146-P183 HydrophobicContact CD2-CG 4.27Å; L146-I190 HydrophobicContact CD2-CB 4.28Å; L146-I190 HydrophobicContact CD2-CD1 4.43Å; L146-I190 HydrophobicContact CD2-CG2 3.94Å
147S98.6Very high98.2Very high51 Ų5158.3 Ų58.336%0.35729%0.29SS..Hα-helixtrans-61.1-46.2178.2-171.50000111.6L143 A144 T149 L150 E151 R194L143-S147 WeakPolarHBondContact O-CB 3.17Å; L143-S147 PolarHBondContact O-N 3.22Å; A144-S147 WeakPolarHBondContact O-CB 3.38Å; A144-S147 PolarHBondContact O-N 3.02Å; S147-T149 PolarHBondContact O-N 2.77Å; S147-L150 PolarHBondContact O-N 3.3Å; S147-E151 PolarHBondContact O-N 2.95Å; S147-R194 PolarHBondContact O-NH2 3.05Å; S147-R194 PolarHBondContact OG-NH2 3.35Å
148D98.6Very high98.3Very high85 Ų8553.4 Ų53.446%0.45526%0.264SS..Hα-helixtrans-61.6-37.4175.6-69-1.2000111.3A144 E151 K152A144-D148 PolarHBondContact O-N 2.95Å; D148-E151 PolarHBondContact O-N 3.42Å; D148-K152 WeakPolarHBondContact O-CG 3.47Å; D148-K152 PolarHBondContact O-N 3.39Å
149T98.8Very high98.3Very high1 Ų153 Ų531%0.00626%0.263CS..Hα-helixtrans-67-40.7177.2-62.70000112.3W107 N111 T112 H115 D145 L146 S147 E151 K152 L153W107-T149 HydrophobicContact CH2-CG2 3.75Å; W107-T149 HydrophobicContact CZ2-CG2 4.38Å; N111-T149 HydrophobicContact CB-CG2 4.01Å; T112-T149 HydrophobicContact CG2-CG2 3.66Å; H115-T149 PolarHBondContact CE1-OG1 3.16Å; H115-T149 PolarHBondContact ND1-OG1 2.94Å; D145-T149 WeakPolarHBondContact O-CB 3.29Å; D145-T149 PolarHBondContact O-N 2.89Å; D145-T149 PolarHBondContact O-OG1 3.25Å; L146-T149 WeakPolarHBondContact O-CB 3.46Å; L146-T149 PolarHBondContact O-N 3.17Å; S147-T149 PolarHBondContact O-N 2.77Å; T149-E151 VanDerWaalsContact C-N 3.32Å; T149-K152 PolarHBondContact O-N 3.31Å; T149-L153 WeakPolarHBondContact O-CB 3.41Å; T149-L153 PolarHBondContact O-N 3.48Å
150L98.8Very high98.2Very high4 Ų464.3 Ų64.32%0.02130%0.304CS..Hα-helixtrans-67.4-34.8176.8-70170.1000111.5L146 S147 L153 E154 L180 I190 L191 R194 L197L146-L150 HydrophobicContact CD1-CD1 4.47Å; L146-L150 HydrophobicContact CD1-CG 4.22Å; L146-L150 HydrophobicContact CG-CD1 4.11Å; L146-L150 HydrophobicContact CG-CG 4.34Å; L146-L150 VanDerWaalsContact O-CG 3.26Å; L146-L150 WeakPolarHBondContact O-CG 3.21Å; L146-L150 PolarHBondContact O-N 2.96Å; S147-L150 PolarHBondContact O-N 3.3Å; L150-L153 HydrophobicContact CD2-CD2 4.45Å; L150-L153 PolarHBondContact O-N 2.84Å; L150-E154 WeakPolarHBondContact O-CB 3.2Å; L150-E154 PolarHBondContact O-N 3.43Å; L150-L180 HydrophobicContact CD2-CD1 3.94Å; L150-L180 HydrophobicContact CD2-CD2 3.65Å; L150-L180 HydrophobicContact CD2-CG 4.44Å; L150-I190 HydrophobicContact CD1-CD1 3.79Å; L150-I190 HydrophobicContact CD2-CD1 3.94Å; L150-I190 HydrophobicContact CG-CD1 4.46Å; L150-L191 HydrophobicContact CD1-CD2 4.44Å; L150-L191 HydrophobicContact CD2-CD2 3.85Å; L150-R194 VanDerWaalsContact CB-CZ 3.42Å; L150-L197 HydrophobicContact CB-CD1 4.26Å; L150-L197 HydrophobicContact CD2-CD1 4.17Å
151E98.6Very high98.1Very high106 Ų10661.9 Ų61.950%0.49529%0.292SS..Hα-helixtrans-64.3-46.2172.1-176.1174.3-172.900111.7S147 D148 T149 L153 E154 N155S147-E151 PolarHBondContact O-N 2.95Å; D148-E151 PolarHBondContact O-N 3.42Å; T149-E151 VanDerWaalsContact C-N 3.32Å; E151-L153 PolarHBondContact O-N 3.39Å; E151-E154 PolarHBondContact O-N 2.9Å; E151-N155 WeakPolarHBondContact CG-ND2 3.37Å; E151-N155 WeakPolarHBondContact O-CB 3.4Å; E151-N155 PolarHBondContact O-N 3.48Å; E151-N155 PolarHBondContact O-ND2 3.2Å
152K98.6Very high98.1Very high92 Ų9255.7 Ų55.740%0.427%0.274SS..Hα-helixtrans-61.8-42.7174.5-69.8166.2-171.8161.30111.8W107 D148 T149 E154 N155 M156W107-K152 HydrophobicContact CH2-CB 4.39Å; W107-K152 HydrophobicContact CZ2-CB 3.85Å; W107-K152 HydrophobicContact CZ2-CD 4.4Å; D148-K152 WeakPolarHBondContact O-CG 3.47Å; D148-K152 PolarHBondContact O-N 3.39Å; T149-K152 PolarHBondContact O-N 3.31Å; K152-E154 VanDerWaalsContact C-N 3.33Å; K152-E154 PolarHBondContact O-N 2.99Å; K152-N155 PolarHBondContact O-N 2.83Å; K152-M156 HydrophobicContact CB-SD 4.04Å; K152-M156 HydrophobicContact CG-SD 4.33Å; K152-M156 WeakPolarHBondContact O-CB 3.45Å; K152-M156 WeakPolarHBondContact O-CG 3.35Å; K152-M156 PolarHBondContact O-N 3.07Å
153L98.7Very high98.1Very high0 Ų056.7 Ų56.70%028%0.278CS..Iπ-helixtrans-56.7-48.1176-175.567.5000111.3Y104 W107 T112 T149 L150 E151 F157 L158 L164 L180 L197Y104-L153 HydrophobicContact CD2-CD1 4.24Å; Y104-L153 HydrophobicContact CE2-CD1 3.57Å; W107-L153 HydrophobicContact CH2-CB 4.49Å; W107-L153 HydrophobicContact CZ3-CD1 4.28Å; T112-L153 HydrophobicContact CG2-CD1 4.37Å; T112-L153 HydrophobicContact CG2-CD2 4.3Å; T149-L153 WeakPolarHBondContact O-CB 3.41Å; T149-L153 PolarHBondContact O-N 3.48Å; L150-L153 HydrophobicContact CD2-CD2 4.45Å; L150-L153 PolarHBondContact O-N 2.84Å; E151-L153 PolarHBondContact O-N 3.39Å; L153-F157 HydrophobicContact CD1-CB 4.38Å; L153-F157 HydrophobicContact CD1-CD2 4.23Å; L153-F157 WeakPolarHBondContact O-CB 3.29Å; L153-F157 PolarHBondContact O-N 3.5Å; L153-L158 PolarHBondContact O-N 2.62Å; L153-L164 HydrophobicContact CD1-CD1 3.96Å; L153-L164 HydrophobicContact CD1-CD2 3.78Å; L153-L164 HydrophobicContact CG-CD2 4.11Å; L153-L180 HydrophobicContact CD2-CD1 3.66Å; L153-L197 HydrophobicContact CD2-CD2 3.9Å; L153-L197 HydrophobicContact CG-CD2 4.26Å
154E98.5Very high98.1Very high25 Ų2554.8 Ų54.812%0.11727%0.268CS..Iπ-helixtrans-67.1-44.7179.9-169.9173.8144.400112L150 E151 K152 K159 K196 L197L150-E154 WeakPolarHBondContact O-CB 3.2Å; L150-E154 PolarHBondContact O-N 3.43Å; E151-E154 PolarHBondContact O-N 2.9Å; K152-E154 VanDerWaalsContact C-N 3.33Å; K152-E154 PolarHBondContact O-N 2.99Å; E154-K159 WeakPolarHBondContact O-CA 3.29Å; E154-K159 PolarHBondContact O-N 3.14Å; E154-K196 HydrophobicContact CG-CB 4.34Å; E154-K196 HydrophobicContact CG-CD 4.32Å; E154-K196 WeakPolarHBondContact OE1-CD 3.23Å; E154-K196 WeakPolarHBondContact OE1-CE 3.29Å; E154-K196 IonicContact OE1-NZ 2.78Å; E154-K196 PolarHBondContact OE1-NZ 3.03Å; E154-L197 HydrophobicContact CB-CD1 4.3Å; E154-L197 HydrophobicContact CB-CG 4.39Å
155N97.9Very high98Very high87 Ų8753.3 Ų53.347%0.46526%0.255SS..Iπ-helixtrans-82.9-33-172.4-70.4-27.5000114.1E151 K152 K159E151-N155 WeakPolarHBondContact CG-ND2 3.37Å; E151-N155 WeakPolarHBondContact O-CB 3.4Å; E151-N155 PolarHBondContact O-N 3.48Å; E151-N155 PolarHBondContact O-ND2 3.2Å; K152-N155 PolarHBondContact O-N 2.83Å; N155-K159 WeakPolarHBondContact O-CG 3.46Å
156M97.1Very high97.9Very high87 Ų8751.4 Ų51.443%0.42925%0.247SC..Iπ-helixtrans-91.9-42.3-176.2-62.317558.200112.5K152 K159K152-M156 HydrophobicContact CB-SD 4.04Å; K152-M156 HydrophobicContact CG-SD 4.33Å; K152-M156 WeakPolarHBondContact O-CB 3.45Å; K152-M156 WeakPolarHBondContact O-CG 3.35Å; K152-M156 PolarHBondContact O-N 3.07Å; M156-K159 WeakPolarHBondContact O-CE 3.26Å; M156-K159 PolarHBondContact O-NZ 3.15Å
157F98.3Very high97.8Very high8 Ų857.2 Ų57.24%0.03528%0.278CS..Iπ-helixtrans-103.5-62.2-171.1-59-82.9000111.3E103 Y104 W107 L153 L164E103-F157 HydrophobicContact CG-CE1 4.11Å; Y104-F157 AromaticContact CD2-CD1 3.92Å; Y104-F157 HydrophobicContact CD2-CD1 3.92Å; Y104-F157 HydrophobicContact CD2-CD2 4.26Å; Y104-F157 HydrophobicContact CD2-CE1 4.06Å; Y104-F157 HydrophobicContact CD2-CE2 4.38Å; Y104-F157 HydrophobicContact CD2-CG 4.02Å; Y104-F157 HydrophobicContact CD2-CZ 4.28Å; Y104-F157 HydrophobicContact CG-CD1 4.41Å; Y104-F157 HydrophobicContact CG-CE1 4.43Å; W107-F157 HydrophobicContact CB-CZ 3.95Å; W107-F157 AromaticContact CD2-CE2 3.61Å; W107-F157 HydrophobicContact CD2-CE2 3.61Å; W107-F157 AromaticContact CD2-CZ 3.8Å; W107-F157 HydrophobicContact CD2-CZ 3.8Å; W107-F157 AromaticContact CE2-CE2 3.92Å; W107-F157 HydrophobicContact CE3-CD2 4.48Å; W107-F157 AromaticContact CE3-CE2 3.65Å; W107-F157 HydrophobicContact CE3-CE2 3.65Å; W107-F157 AromaticContact CE3-CZ 3.99Å; W107-F157 HydrophobicContact CE3-CZ 3.99Å; W107-F157 HydrophobicContact CG-CE2 4.08Å; W107-F157 AromaticContact CG-CZ 3.79Å; W107-F157 HydrophobicContact CG-CZ 3.79Å; W107-F157 HydrophobicContact CH2-CE2 4.27Å; W107-F157 HydrophobicContact CZ2-CE2 4.27Å; W107-F157 HydrophobicContact CZ3-CD2 4.48Å; W107-F157 AromaticContact CZ3-CE2 3.98Å; W107-F157 HydrophobicContact CZ3-CE2 3.98Å; L153-F157 HydrophobicContact CD1-CB 4.38Å; L153-F157 HydrophobicContact CD1-CD2 4.23Å; L153-F157 WeakPolarHBondContact O-CB 3.29Å; L153-F157 PolarHBondContact O-N 3.5Å; F157-L164 CarbonylContact C-O 3.59Å; F157-L164 HydrophobicContact CB-CB 4.3Å; F157-L164 HydrophobicContact CB-CD2 4.09Å
158L98.5Very high97.7Very high2 Ų259.6 Ų59.61%0.0129%0.287CS..Iπ-helixtrans-66-46.9-175.7-175.561000113.2L153 R160 Q161 L164 K196 L197 W200L153-L158 PolarHBondContact O-N 2.62Å; L158-R160 PolarHBondContact O-N 3.19Å; L158-R160 VanDerWaalsContact O-N 3.09Å; L158-Q161 VanDerWaalsContact CD1-O 3.25Å; L158-Q161 WeakPolarHBondContact CD1-O 3.4Å; L158-Q161 WeakPolarHBondContact O-CB 3.22Å; L158-Q161 PolarHBondContact O-N 3.17Å; L158-L164 HydrophobicContact CB-CD2 3.95Å; L158-L164 HydrophobicContact CD1-CD2 4.47Å; L158-K196 HydrophobicContact CD2-CB 4.19Å; L158-L197 HydrophobicContact CD2-CD2 3.87Å; L158-L197 HydrophobicContact CD2-CG 4.39Å; L158-W200 HydrophobicContact CD1-CB 3.93Å; L158-W200 HydrophobicContact CD1-CG 3.95Å; L158-W200 HydrophobicContact CD2-CB 3.77Å; L158-W200 HydrophobicContact CD2-CG 4.27Å
159K96.6Very high97.7Very high102 Ų10256.2 Ų56.244%0.44327%0.269SS..THydrogen-bonded Turntrans49.2-113.7-178.2-67.3166.1171.3145.30112.1E154 N155 M156E154-K159 WeakPolarHBondContact O-CA 3.29Å; E154-K159 PolarHBondContact O-N 3.14Å; N155-K159 WeakPolarHBondContact O-CG 3.46Å; M156-K159 WeakPolarHBondContact O-CE 3.26Å; M156-K159 PolarHBondContact O-NZ 3.15Å
160R95.1Very high97.7Very high251 Ų25156.3 Ų56.395%0.94727%0.27SS*.THydrogen-bonded Turntrans-114.613.1176.3-61.8-175.5179.2-178.60.1111.8L158L158-R160 PolarHBondContact O-N 3.19Å; L158-R160 VanDerWaalsContact O-N 3.09Å
161Q96.9Very high97.7Very high80 Ų8056.1 Ų56.137%0.37427%0.269SS..SBendtrans-89157.5-178.9-66.4-174.5-20.800110.8L158 F163 G166L158-Q161 VanDerWaalsContact CD1-O 3.25Å; L158-Q161 WeakPolarHBondContact CD1-O 3.4Å; L158-Q161 WeakPolarHBondContact O-CB 3.22Å; L158-Q161 PolarHBondContact O-N 3.17Å; Q161-F163 WeakPolarHBondContact CB-O 3.18Å; Q161-G166 VanDerWaalsContact OE1-CA 3.24Å
162P97.9Very high97.8Very high37 Ų3751.1 Ų51.124%0.2425%0.245CC..SBendtrans-69.1-33.7175.927.4-34.2000112.5D167 R203P162-D167 HydrophobicContact CG-CB 4.47Å; P162-D167 WeakPolarHBondContact CG-O 3.44Å; P162-R203 VanDerWaalsContact O-CZ 3.32Å; P162-R203 PolarHBondContact O-NE 3.46Å; P162-R203 PolarHBondContact O-NH2 3.31Å
163F98.8Very high97.8Very high22 Ų2246.7 Ų46.710%0.09623%0.226CC..BIsolated β-bridgetrans-125.9168.1-179.9-62.9-80.8000111.4Q161 C165 G166 D167 D168 I169 D173 R203 V204Q161-F163 WeakPolarHBondContact CB-O 3.18Å; F163-C165 PolarHBondContact O-N 3.44Å; F163-G166 PolarHBondContact N-O 3.27Å; F163-D167 VanDerWaalsContact CD2-O 3.24Å; F163-D167 WeakPolarHBondContact CD2-O 3.41Å; F163-D167 WeakPolarHBondContact CE2-O 3.42Å; F163-D168 WeakPolarHBondContact CB-O 3.39Å; F163-I169 HydrophobicContact CD1-CB 3.92Å; F163-I169 HydrophobicContact CD1-CG1 4.27Å; F163-I169 HydrophobicContact CE1-CB 3.72Å; F163-I169 HydrophobicContact CE1-CG1 4.21Å; F163-I169 HydrophobicContact CG-CB 4.47Å; F163-I169 HydrophobicContact CZ-CB 4.11Å; F163-D173 WeakPolarHBondContact CA-OD1 3.37Å; F163-D173 WeakPolarHBondContact CB-OD1 3.17Å; F163-R203 HydrophobicContact CE1-CB 4.02Å; F163-R203 HydrophobicContact CZ-CB 4.01Å; F163-V204 HydrophobicContact CD1-CG2 3.87Å; F163-V204 HydrophobicContact CE1-CG2 3.88Å
164L98.6Very high97.8Very high4 Ų446.7 Ų46.72%0.02123%0.226CC..THydrogen-bonded Turntrans-65-24.1-171.9-66.9-177000114.4Y104 L153 F157 L158 A172 D173 A176 W200Y104-L164 HydrophobicContact CD2-CD1 4.09Å; Y104-L164 HydrophobicContact CE2-CD1 3.81Å; L153-L164 HydrophobicContact CD1-CD1 3.96Å; L153-L164 HydrophobicContact CD1-CD2 3.78Å; L153-L164 HydrophobicContact CG-CD2 4.11Å; F157-L164 CarbonylContact C-O 3.59Å; F157-L164 HydrophobicContact CB-CB 4.3Å; F157-L164 HydrophobicContact CB-CD2 4.09Å; L158-L164 HydrophobicContact CB-CD2 3.95Å; L158-L164 HydrophobicContact CD1-CD2 4.47Å; L164-A172 HydrophobicContact CB-CB 4.37Å; L164-A172 HydrophobicContact CD1-CB 4.46Å; L164-D173 WeakPolarHBondContact CG-OD1 3.4Å; L164-D173 PolarHBondContact N-OD1 2.9Å; L164-A176 HydrophobicContact CD1-CB 3.5Å; L164-W200 HydrophobicContact CD1-CZ2 4.01Å; L164-W200 HydrophobicContact CD2-CZ2 4.49Å; L164-W200 HydrophobicContact CG-CZ2 4.13Å
165C96.8Very high97.8Very high21 Ų2145.6 Ų45.614%0.14222%0.221CC..THydrogen-bonded Turntrans-127.714.4-174-59.40000113.4R100 V101 F163 A172R100-C165 HydrophobicContact CB-CB 4.1Å; R100-C165 PolarHBondContact O-SG 3.46Å; R100-C165 VanDerWaalsContact O-SG 3.41Å; V101-C165 HydrophobicContact CG2-CB 4.02Å; F163-C165 PolarHBondContact O-N 3.44Å; C165-A172 WeakPolarHBondContact SG-CB 3.23Å
166G95.2Very high97.9Very high12 Ų1241.5 Ų41.512%0.12420%0.199CC..BIsolated β-bridgetrans148.1-149.9178.400000114.1Q161 F163Q161-G166 VanDerWaalsContact OE1-CA 3.24Å; F163-G166 PolarHBondContact N-O 3.27Å
167D97.1Very high97.9Very high124 Ų12437.4 Ų37.466%0.66318%0.179SC*.SBendtrans-83.1-18.6-174-60-44.1000113.7P162 F163P162-D167 HydrophobicContact CG-CB 4.47Å; P162-D167 WeakPolarHBondContact CG-O 3.44Å; F163-D167 VanDerWaalsContact CD2-O 3.24Å; F163-D167 WeakPolarHBondContact CD2-O 3.41Å; F163-D167 WeakPolarHBondContact CE2-O 3.42Å
168D97.3Very high98Very high102 Ų10237 Ų3755%0.54518%0.177SC..SBendtrans-121.2155.1-178.2-66.5-57.8000112.2N89 F163N89-D168 HydrophobicContact CB-CB 3.67Å; F163-D168 WeakPolarHBondContact CB-O 3.39Å
169I98.6Very high98Very high14 Ų1437 Ų377%0.07218%0.177CC..  trans-60.3140.1174-169.5171.1000111.1N89 W90 F163 D173 V204 A207 L208N89-I169 CarbonylContact C-O 3.57Å; N89-I169 WeakPolarHBondContact ND2-CG2 3.36Å; N89-I169 PolarHBondContact ND2-O 2.87Å; W90-I169 HydrophobicContact CH2-CD1 3.82Å; W90-I169 HydrophobicContact CH2-CG1 4.15Å; W90-I169 HydrophobicContact CH2-CG2 4.31Å; W90-I169 HydrophobicContact CZ3-CD1 4.07Å; W90-I169 HydrophobicContact CZ3-CG1 3.97Å; F163-I169 HydrophobicContact CD1-CB 3.92Å; F163-I169 HydrophobicContact CD1-CG1 4.27Å; F163-I169 HydrophobicContact CE1-CB 3.72Å; F163-I169 HydrophobicContact CE1-CG1 4.21Å; F163-I169 HydrophobicContact CG-CB 4.47Å; F163-I169 HydrophobicContact CZ-CB 4.11Å; I169-D173 HydrophobicContact CG1-CB 3.84Å; I169-V204 HydrophobicContact CD1-CG1 4.1Å; I169-A207 HydrophobicContact CB-CB 4.38Å; I169-A207 HydrophobicContact CD1-CB 3.8Å; I169-A207 HydrophobicContact CG2-CB 4.22Å; I169-L208 HydrophobicContact CD1-CD2 3.9Å; I169-L208 HydrophobicContact CD1-CG 4.01Å
170S98.9Very high98.1Very high3 Ų332.6 Ų32.62%0.02116%0.158CC..  trans-132.6178.4177.6700000112.3A172 D173 L174S170-A172 PolarHBondContact O-N 3.01Å; S170-A172 WeakPolarHBondContact OG-CB 3.32Å; S170-A172 PolarHBondContact OG-N 3.21Å; S170-D173 PolarHBondContact N-OD2 2.87Å; S170-D173 PolarHBondContact O-N 3.45Å; S170-D173 PolarHBondContact OG-OD2 3.09Å; S170-L174 PolarHBondContact O-N 3.01Å
171L98.9Very high98.2Very high0 Ų021 Ų210%012%0.115CC..Hα-helixtrans-57.1-29.2171.6-68.8-177.8000112.6F26 L77 K78 A81 W90 Y91 V101 L174 L175F26-L171 HydrophobicContact CD2-CD2 3.71Å; F26-L171 HydrophobicContact CE2-CD2 3.56Å; F26-L171 HydrophobicContact CZ-CD2 4.5Å; L77-L171 HydrophobicContact CB-CD1 3.85Å; L77-L171 HydrophobicContact CB-CD2 3.8Å; L77-L171 HydrophobicContact CB-CG 4.37Å; L77-L171 HydrophobicContact CD1-CD2 4.35Å; L77-L171 HydrophobicContact CD2-CD2 4.09Å; L77-L171 HydrophobicContact CG-CD2 4.28Å; K78-L171 HydrophobicContact CG-CD1 3.84Å; A81-L171 HydrophobicContact CB-CD1 4.3Å; W90-L171 HydrophobicContact CB-CD2 4.49Å; W90-L171 HydrophobicContact CE3-CD2 4.11Å; W90-L171 WeakPolarHBondContact O-CG 3.16Å; W90-L171 PolarHBondContact O-N 3.48Å; Y91-L171 HydrophobicContact CD2-CD1 4.45Å; Y91-L171 HydrophobicContact CG-CD1 4.37Å; V101-L171 HydrophobicContact CG1-CB 4.1Å; L171-L174 HydrophobicContact CD2-CD2 4.47Å; L171-L174 PolarHBondContact O-N 3.03Å; L171-L175 PolarHBondContact O-N 3.41Å; L171-L175 VanDerWaalsContact O-N 3.09Å
172A98.9Very high98.3Very high0 Ų017.6 Ų17.60%010%0.099CC..Hα-helixtrans-61.7-50.3176.500000111.5Y104 L164 C165 S170 L174 L175 A176Y104-A172 HydrophobicContact CD1-CB 3.28Å; Y104-A172 HydrophobicContact CE1-CB 4.04Å; Y104-A172 WeakPolarHBondContact CE1-O 3.48Å; Y104-A172 HydrophobicContact CG-CB 3.62Å; L164-A172 HydrophobicContact CB-CB 4.37Å; L164-A172 HydrophobicContact CD1-CB 4.46Å; C165-A172 WeakPolarHBondContact SG-CB 3.23Å; S170-A172 PolarHBondContact O-N 3.01Å; S170-A172 WeakPolarHBondContact OG-CB 3.32Å; S170-A172 PolarHBondContact OG-N 3.21Å; A172-L174 VanDerWaalsContact C-N 3.3Å; A172-L174 PolarHBondContact O-N 3.47Å; A172-L175 PolarHBondContact O-N 2.97Å; A172-A176 VanDerWaalsContact O-CB 3.3Å; A172-A176 WeakPolarHBondContact O-CB 3.21Å; A172-A176 PolarHBondContact O-N 3.21Å
173D98.9Very high98.3Very high0 Ų015.9 Ų15.90%09%0.088CC..Hα-helixtrans-61.4-40.2179.8-58-86.1000112.3F163 L164 I169 S170 V177 W200 V204F163-D173 WeakPolarHBondContact CA-OD1 3.37Å; F163-D173 WeakPolarHBondContact CB-OD1 3.17Å; L164-D173 WeakPolarHBondContact CG-OD1 3.4Å; L164-D173 PolarHBondContact N-OD1 2.9Å; I169-D173 HydrophobicContact CG1-CB 3.84Å; S170-D173 PolarHBondContact N-OD2 2.87Å; S170-D173 PolarHBondContact O-N 3.45Å; S170-D173 PolarHBondContact OG-OD2 3.09Å; D173-V177 WeakPolarHBondContact O-CB 3.35Å; D173-V177 PolarHBondContact O-N 3.3Å; D173-W200 HydrophobicContact CB-CZ2 4.39Å; D173-W200 PolarHBondContact OD1-NE1 3.2Å; D173-V204 HydrophobicContact CB-CG2 3.94Å
174L98.9Very high98.2Very high0 Ų015.8 Ų15.80%09%0.088CC..Hα-helixtrans-63.6-47.2179.1174.461.1000112.2A22 I25 F26 L77 W90 S170 L171 A172 V177 C178 L208A22-L174 HydrophobicContact CB-CD2 4.46Å; A22-L174 HydrophobicContact CB-CG 4.07Å; I25-L174 HydrophobicContact CB-CD1 3.84Å; I25-L174 HydrophobicContact CD1-CD1 4.16Å; I25-L174 HydrophobicContact CG2-CD1 3.53Å; F26-L174 HydrophobicContact CB-CD2 3.8Å; F26-L174 HydrophobicContact CD2-CD2 3.94Å; F26-L174 HydrophobicContact CG-CD2 4.36Å; L77-L174 HydrophobicContact CD1-CD2 4.5Å; L77-L174 HydrophobicContact CD2-CD2 4.06Å; W90-L174 HydrophobicContact CZ3-CB 4.05Å; W90-L174 HydrophobicContact CZ3-CD2 4.21Å; S170-L174 PolarHBondContact O-N 3.01Å; L171-L174 HydrophobicContact CD2-CD2 4.47Å; L171-L174 PolarHBondContact O-N 3.03Å; A172-L174 VanDerWaalsContact C-N 3.3Å; A172-L174 PolarHBondContact O-N 3.47Å; L174-V177 WeakPolarHBondContact O-CG1 3.41Å; L174-C178 PolarHBondContact O-N 3.34Å; L174-C178 PolarHBondContact O-SG 3.15Å; L174-L208 HydrophobicContact CD1-CD1 4.18Å; L174-L208 HydrophobicContact CD1-CD2 4.32Å
175L98.9Very high98Very high2 Ų215.7 Ų15.71%0.019%0.088CC..Hα-helixtrans-64-48.9176.5-76.8165.3000110.7A22 L77 Y104 T105 L171 A172 V177 C178 E179A22-L175 HydrophobicContact CB-CD2 3.95Å; L77-L175 HydrophobicContact CD1-CD1 4.06Å; L77-L175 HydrophobicContact CD1-CD2 3.78Å; L77-L175 HydrophobicContact CD1-CG 3.78Å; Y104-L175 HydrophobicContact CE1-CB 4.26Å; T105-L175 HydrophobicContact CG2-CD1 3.79Å; L171-L175 PolarHBondContact O-N 3.41Å; L171-L175 VanDerWaalsContact O-N 3.09Å; A172-L175 PolarHBondContact O-N 2.97Å; L175-V177 PolarHBondContact O-N 2.74Å; L175-C178 PolarHBondContact O-N 3.14Å; L175-E179 VanDerWaalsContact O-CG 3.25Å; L175-E179 WeakPolarHBondContact O-CG 3.39Å; L175-E179 PolarHBondContact O-N 3.14Å
176A98.9Very high97.9Very high0 Ų015.6 Ų15.60%09%0.09CC..Hα-helixtrans-54.6-50.317900000112Y104 L164 A172 C178 E179 L180 W200Y104-A176 HydrophobicContact CE1-CB 4.25Å; Y104-A176 HydrophobicContact CE2-CB 4.36Å; Y104-A176 WeakPolarHBondContact OH-CA 3.32Å; Y104-A176 WeakPolarHBondContact OH-CB 3.33Å; Y104-A176 PolarHBondContact OH-N 3.25Å; L164-A176 HydrophobicContact CD1-CB 3.5Å; A172-A176 VanDerWaalsContact O-CB 3.3Å; A172-A176 WeakPolarHBondContact O-CB 3.21Å; A172-A176 PolarHBondContact O-N 3.21Å; A176-C178 VanDerWaalsContact C-N 3.33Å; A176-C178 PolarHBondContact O-N 3.12Å; A176-E179 PolarHBondContact O-N 3.21Å; A176-L180 WeakPolarHBondContact O-CB 3.27Å; A176-L180 VanDerWaalsContact O-CG 3.25Å; A176-L180 WeakPolarHBondContact O-CG 3.39Å; A176-L180 PolarHBondContact O-N 3.13Å; A176-W200 HydrophobicContact CB-CH2 3.64Å; A176-W200 HydrophobicContact CB-CZ2 3.72Å
177V98.9Very high97.8Very high1 Ų116.7 Ų16.71%0.00610%0.102CC..Hα-helixtrans-66.9-38.1-174.9820000111D173 L174 L175 E179 M181 W200 K201 V204 L208 F212D173-V177 WeakPolarHBondContact O-CB 3.35Å; D173-V177 PolarHBondContact O-N 3.3Å; L174-V177 WeakPolarHBondContact O-CG1 3.41Å; L175-V177 PolarHBondContact O-N 2.74Å; V177-E179 VanDerWaalsContact C-N 3.32Å; V177-E179 PolarHBondContact O-N 2.79Å; V177-M181 HydrophobicContact CG2-CG 4.47Å; V177-M181 VanDerWaalsContact O-CB 3.32Å; V177-M181 WeakPolarHBondContact O-CB 3.29Å; V177-M181 WeakPolarHBondContact O-CG 3.39Å; V177-M181 PolarHBondContact O-N 2.9Å; V177-W200 HydrophobicContact CB-CH2 3.95Å; V177-W200 HydrophobicContact CB-CZ2 4.43Å; V177-W200 HydrophobicContact CG2-CH2 4.28Å; V177-K201 HydrophobicContact CG2-CG 4.21Å; V177-V204 HydrophobicContact CB-CG1 3.88Å; V177-V204 HydrophobicContact CG1-CG1 3.71Å; V177-V204 HydrophobicContact CG2-CG1 4.06Å; V177-L208 HydrophobicContact CG1-CD1 4.15Å; V177-F212 HydrophobicContact CB-CE2 4.47Å; V177-F212 HydrophobicContact CG1-CE2 4.01Å; V177-F212 HydrophobicContact CG2-CE2 3.61Å; V177-F212 HydrophobicContact CG2-CZ 4.2Å
178C98.8Very high97.7Very high1 Ų115.3 Ų15.31%0.0079%0.088CC..Hα-helixtrans-64.5-37.2175.6-75.80000112.3R21 A22 L174 L175 A176R21-C178 HydrophobicContact CB-CB 4.37Å; R21-C178 PolarHBondContact NH2-O 2.91Å; A22-C178 HydrophobicContact CB-CB 4.44Å; L174-C178 PolarHBondContact O-N 3.34Å; L174-C178 PolarHBondContact O-SG 3.15Å; L175-C178 PolarHBondContact O-N 3.14Å; A176-C178 VanDerWaalsContact C-N 3.33Å; A176-C178 PolarHBondContact O-N 3.12Å
179E98.8Very high97.6Very high2 Ų213.5 Ų13.51%0.0098%0.078CC..Hα-helixtrans-67.6-50.7176.8-69.8160.2-17900111.4Q18 Y104 H108 T112 R113 A116 L175 A176 V177 M181 Q182Q18-E179 HydrophobicContact CB-CG 4.22Å; Y104-E179 PolarHBondContact OH-OE2 2.89Å; H108-E179 IonicContact CE1-OE1 3.24Å; H108-E179 PolarHBondContact CE1-OE1 3.24Å; H108-E179 IonicContact CG-OE1 3.58Å; H108-E179 IonicContact ND1-OE1 3.75Å; H108-E179 PolarHBondContact ND1-OE1 3.03Å; H108-E179 IonicContact ND1-OE2 2.73Å; T112-E179 WeakPolarHBondContact CB-OE2 3.39Å; T112-E179 PolarHBondContact OG1-OE2 3.48Å; R113-E179 HydrophobicContact CB-CG 4.07Å; R113-E179 WeakPolarHBondContact CB-OE1 3.49Å; R113-E179 HydrophobicContact CG-CG 4.35Å; R113-E179 PolarHBondContact N-OE2 2.88Å; A116-E179 VanDerWaalsContact CB-O 3.23Å; A116-E179 WeakPolarHBondContact CB-O 3.5Å; L175-E179 VanDerWaalsContact O-CG 3.25Å; L175-E179 WeakPolarHBondContact O-CG 3.39Å; L175-E179 PolarHBondContact O-N 3.14Å; A176-E179 PolarHBondContact O-N 3.21Å; V177-E179 VanDerWaalsContact C-N 3.32Å; V177-E179 PolarHBondContact O-N 2.79Å; E179-M181 PolarHBondContact O-N 3.25Å; E179-Q182 WeakPolarHBondContact O-CB 3.46Å; E179-Q182 PolarHBondContact O-N 3.3Å
180L98.7Very high97.5Very high9 Ų914 Ų145%0.0478%0.08CC..Hα-helixtrans-70.1-19-177.2-64.6-174.8000113.6T112 L146 L150 L153 A176 Q182 P183 I190 L191 W200T112-L180 HydrophobicContact CG2-CD2 4.47Å; L146-L180 HydrophobicContact CD1-CD2 4.32Å; L150-L180 HydrophobicContact CD2-CD1 3.94Å; L150-L180 HydrophobicContact CD2-CD2 3.65Å; L150-L180 HydrophobicContact CD2-CG 4.44Å; L153-L180 HydrophobicContact CD2-CD1 3.66Å; A176-L180 WeakPolarHBondContact O-CB 3.27Å; A176-L180 VanDerWaalsContact O-CG 3.25Å; A176-L180 WeakPolarHBondContact O-CG 3.39Å; A176-L180 PolarHBondContact O-N 3.13Å; L180-Q182 VanDerWaalsContact C-N 3.32Å; L180-P183 WeakPolarHBondContact O-CD 3.45Å; L180-I190 HydrophobicContact CB-CD1 4.16Å; L180-I190 HydrophobicContact CD2-CD1 3.93Å; L180-I190 HydrophobicContact CG-CD1 4.49Å; L180-L191 HydrophobicContact CD1-CD2 4.43Å; L180-W200 HydrophobicContact CD1-CH2 4.11Å; L180-W200 HydrophobicContact CD1-CZ3 3.81Å
181M98.5Very high97.5Very high7 Ų714 Ų143%0.0348%0.08CC..THydrogen-bonded Turntrans-75.8-17.5169.8-74.2-66.5-69.600113.1V177 E179 L184 K201 F212 H216 L219 Y220V177-M181 HydrophobicContact CG2-CG 4.47Å; V177-M181 VanDerWaalsContact O-CB 3.32Å; V177-M181 WeakPolarHBondContact O-CB 3.29Å; V177-M181 WeakPolarHBondContact O-CG 3.39Å; V177-M181 PolarHBondContact O-N 2.9Å; E179-M181 PolarHBondContact O-N 3.25Å; M181-L184 HydrophobicContact CE-CD2 3.51Å; M181-L184 WeakPolarHBondContact O-CB 3.36Å; M181-L184 PolarHBondContact O-N 3.16Å; M181-L184 VanDerWaalsContact O-N 3.14Å; M181-L184 HydrophobicContact SD-CD2 4.4Å; M181-K201 HydrophobicContact SD-CD 4.44Å; M181-K201 VanDerWaalsContact SD-CE 3.57Å; M181-F212 HydrophobicContact CE-CE1 3.9Å; M181-F212 HydrophobicContact CE-CZ 3.84Å; M181-F212 HydrophobicContact CG-CE2 4.4Å; M181-F212 HydrophobicContact CG-CZ 3.83Å; M181-F212 HydrophobicContact SD-CE1 4.4Å; M181-F212 HydrophobicContact SD-CZ 3.81Å; M181-H216 HydrophobicContact CE-CB 4.39Å; M181-L219 HydrophobicContact CB-CD1 4.31Å; M181-L219 VanDerWaalsContact O-CD1 3.23Å; M181-L219 WeakPolarHBondContact O-CD1 3.28Å; M181-Y220 HydrophobicContact CE-CE1 3.86Å
182Q98.4Very high97.3Very high9 Ų920.4 Ų20.44%0.04211%0.108CC..G310 helixtrans-58.1-46.1-174.7-167.674.425.100114L16 Q18 R21 F120 E179 L180 L184 G185L16-Q182 PolarHBondContact O-NE2 3.47Å; L16-Q182 VanDerWaalsContact O-NE2 3.13Å; L16-Q182 PolarHBondContact O-OE1 3.26Å; Q18-Q182 HydrophobicContact CG-CB 3.95Å; Q18-Q182 HydrophobicContact CG-CG 4.06Å; R21-Q182 VanDerWaalsContact NH1-OE1 3.11Å; F120-Q182 HydrophobicContact CB-CG 3.62Å; F120-Q182 HydrophobicContact CD1-CG 3.99Å; F120-Q182 HydrophobicContact CD2-CG 4.28Å; F120-Q182 WeakPolarHBondContact CD2-O 3.35Å; F120-Q182 VanDerWaalsContact CE1-NE2 3.27Å; F120-Q182 HydrophobicContact CG-CG 3.7Å; E179-Q182 WeakPolarHBondContact O-CB 3.46Å; E179-Q182 PolarHBondContact O-N 3.3Å; L180-Q182 VanDerWaalsContact C-N 3.32Å; Q182-L184 PolarHBondContact O-N 3.17Å; Q182-L184 VanDerWaalsContact O-N 3.12Å; Q182-G185 PolarHBondContact O-N 3.32Å; Q182-G185 VanDerWaalsContact O-N 3.14Å
183P97.9Very high97.1Very high0 Ų026.5 Ų26.50%014%0.141CC..G310 helixtrans-61.1-21179.1-25.838.2000114.1A116 V119 L146 L180 G185 G186 R188 I190A116-P183 HydrophobicContact CB-CG 4.32Å; V119-P183 HydrophobicContact CB-CG 4.31Å; V119-P183 HydrophobicContact CG1-CB 3.98Å; V119-P183 HydrophobicContact CG1-CG 4.27Å; L146-P183 HydrophobicContact CD2-CG 4.27Å; L180-P183 WeakPolarHBondContact O-CD 3.45Å; P183-G185 PolarHBondContact O-N 2.91Å; P183-G185 VanDerWaalsContact O-N 3.15Å; P183-G186 PolarHBondContact O-N 2.89Å; P183-R188 CarbonylContact C-O 3.6Å; P183-R188 HydrophobicContact CB-CB 4.37Å; P183-R188 PolarHBondContact O-N 3.41Å; P183-I190 HydrophobicContact CB-CG2 3.69Å; P183-I190 HydrophobicContact CG-CG1 4.34Å; P183-I190 HydrophobicContact CG-CG2 3.94Å
184L96.9Very high97.1Very high21 Ų2128.8 Ų28.811%0.1115%0.149CC..G310 helixtrans-59.5-28.5176.9-174.262.9000112.2M181 Q182 G186 G187 R188 Y220 R223M181-L184 HydrophobicContact CE-CD2 3.51Å; M181-L184 WeakPolarHBondContact O-CB 3.36Å; M181-L184 PolarHBondContact O-N 3.16Å; M181-L184 VanDerWaalsContact O-N 3.14Å; M181-L184 HydrophobicContact SD-CD2 4.4Å; Q182-L184 PolarHBondContact O-N 3.17Å; Q182-L184 VanDerWaalsContact O-N 3.12Å; L184-G186 PolarHBondContact O-N 3.09Å; L184-G186 VanDerWaalsContact O-N 3.16Å; L184-G187 PolarHBondContact O-N 3.34Å; L184-R188 WeakPolarHBondContact CA-O 3.33Å; L184-R188 PolarHBondContact N-O 3.27Å; L184-Y220 HydrophobicContact CD2-CD1 3.9Å; L184-Y220 HydrophobicContact CD2-CE1 3.66Å; L184-R223 HydrophobicContact CD1-CG 4.37Å; L184-R223 VanDerWaalsContact O-CB 3.27Å; L184-R223 WeakPolarHBondContact O-CB 3.45Å; L184-R223 WeakPolarHBondContact O-CG 3.12Å
185G94.7Very high97Very high1 Ų133.5 Ų33.51%0.0118%0.18CC..G310 helixtrans-59.3-23.2175.300000113.7Q182 P183 L222 R223Q182-G185 PolarHBondContact O-N 3.32Å; Q182-G185 VanDerWaalsContact O-N 3.14Å; P183-G185 PolarHBondContact O-N 2.91Å; P183-G185 VanDerWaalsContact O-N 3.15Å; G185-L222 CarbonylContact O-C 3.58Å; G185-L222 VanDerWaalsContact O-C 3.29Å; G185-L222 WeakPolarHBondContact O-CB 3.42Å; G185-R223 PolarHBondContact O-N 3.17Å
186G93.6Very high97Very high19 Ų1938.3 Ų38.320%0.19620%0.201CC..G310 helixtrans-96.710.3172.400000114.3P183 L184P183-G186 PolarHBondContact O-N 2.89Å; L184-G186 PolarHBondContact O-N 3.09Å; L184-G186 VanDerWaalsContact O-N 3.16Å
187G94.3Very high97Very high36 Ų3638.3 Ų38.337%0.37120%0.201SC..THydrogen-bonded Turntrans91.1-6.6-176.800000115.2L184L184-G187 PolarHBondContact O-N 3.34Å
188R94.1Very high96.9Very high95 Ų9541.2 Ų41.236%0.35822%0.216SC..  trans-92.7116.2-170.7-168.9176.1-67.7-78.3-1.1112.5E123 L143 P183 L184 I190E123-R188 IonicContact OE1-CZ 2.68Å; E123-R188 IonicContact OE1-NE 3.44Å; E123-R188 PolarHBondContact OE1-NE 2.88Å; E123-R188 IonicContact OE1-NH2 3.75Å; E123-R188 PolarHBondContact OE1-NH2 3.37Å; E123-R188 IonicContact OE2-NE 2.72Å; E123-R188 PolarHBondContact OE2-NE 3.15Å; L143-R188 VanDerWaalsContact CD2-CD 3.5Å; P183-R188 CarbonylContact C-O 3.6Å; P183-R188 HydrophobicContact CB-CB 4.37Å; P183-R188 PolarHBondContact O-N 3.41Å; L184-R188 WeakPolarHBondContact CA-O 3.33Å; L184-R188 PolarHBondContact N-O 3.27Å; R188-I190 HydrophobicContact CG-CG2 3.77Å; R188-I190 PolarHBondContact O-N 3.09Å
189D95.1Very high96.9Very high64 Ų6443.9 Ų43.934%0.34224%0.235SC..  trans-87.999.8163.5-166.9-16.1000109.9L191 K192D189-L191 PolarHBondContact O-N 3.15Å; D189-L191 PolarHBondContact OD1-N 3.4Å; D189-K192 HydrophobicContact CB-CB 4.31Å; D189-K192 WeakPolarHBondContact O-CG 3.21Å; D189-K192 PolarHBondContact OD1-N 3.42Å
190I96.8Very high96.9Very high24 Ų2443.8 Ų43.812%0.12323%0.234CC..THydrogen-bonded Turntrans-75.9-8.7-178.558.1105.5000113.7L146 L150 L180 P183 R188L146-I190 HydrophobicContact CD2-CB 4.28Å; L146-I190 HydrophobicContact CD2-CD1 4.43Å; L146-I190 HydrophobicContact CD2-CG2 3.94Å; L150-I190 HydrophobicContact CD1-CD1 3.79Å; L150-I190 HydrophobicContact CD2-CD1 3.94Å; L150-I190 HydrophobicContact CG-CD1 4.46Å; L180-I190 HydrophobicContact CB-CD1 4.16Å; L180-I190 HydrophobicContact CD2-CD1 3.93Å; L180-I190 HydrophobicContact CG-CD1 4.49Å; P183-I190 HydrophobicContact CB-CG2 3.69Å; P183-I190 HydrophobicContact CG-CG1 4.34Å; P183-I190 HydrophobicContact CG-CG2 3.94Å; R188-I190 HydrophobicContact CG-CG2 3.77Å; R188-I190 PolarHBondContact O-N 3.09Å
191L97.4Very high96.9Very high4 Ų444.7 Ų44.72%0.02124%0.238CC..THydrogen-bonded Turntrans-103.2-6.8179.6-60.5-176000113.2L150 L180 D189 D193 R194 L197 L198 K201L150-L191 HydrophobicContact CD1-CD2 4.44Å; L150-L191 HydrophobicContact CD2-CD2 3.85Å; L180-L191 HydrophobicContact CD1-CD2 4.43Å; D189-L191 PolarHBondContact O-N 3.15Å; D189-L191 PolarHBondContact OD1-N 3.4Å; L191-D193 PolarHBondContact O-N 3.19Å; L191-R194 PolarHBondContact O-N 3.02Å; L191-L197 HydrophobicContact CD1-CB 4.49Å; L191-L197 HydrophobicContact CD2-CB 3.88Å; L191-L197 HydrophobicContact CD2-CD1 4.11Å; L191-L198 HydrophobicContact CB-CD2 3.7Å; L191-L198 HydrophobicContact CB-CG 4.15Å; L191-L198 WeakPolarHBondContact O-CD1 3.29Å; L191-L198 WeakPolarHBondContact O-CG 3.32Å; L191-K201 HydrophobicContact CD1-CB 4.14Å; L191-K201 HydrophobicContact CD1-CD 3.8Å
192K95.3Very high96.9Very high133 Ų13347.9 Ų47.958%0.57826%0.261SS*.THydrogen-bonded Turntrans-50.5-34.5-172.270.2179-170.81690114.9D189 L198D189-K192 HydrophobicContact CB-CB 4.31Å; D189-K192 WeakPolarHBondContact O-CG 3.21Å; D189-K192 PolarHBondContact OD1-N 3.42Å; K192-L198 WeakPolarHBondContact O-CD1 3.46Å
193D95.3Very high96.9Very high129 Ų12951.2 Ų51.269%0.6927%0.273SS*.THydrogen-bonded Turntrans-102.914-177.9-54.3-46000112.7L191 P195L191-D193 PolarHBondContact O-N 3.19Å; D193-P195 WeakPolarHBondContact O-CD 3.4Å
194R97.8Very high97Very high47 Ų4751.2 Ų51.218%0.17727%0.273CS..  trans-122.680.4-174.9-65.5178.5174.2-93.44.6110.3S147 L150 L191 K196 L197 L198S147-R194 PolarHBondContact O-NH2 3.05Å; S147-R194 PolarHBondContact OG-NH2 3.35Å; L150-R194 VanDerWaalsContact CB-CZ 3.42Å; L191-R194 PolarHBondContact O-N 3.02Å; R194-K196 VanDerWaalsContact C-N 3.34Å; R194-K196 PolarHBondContact O-N 2.92Å; R194-L197 HydrophobicContact CB-CB 4.12Å; R194-L197 HydrophobicContact CB-CD1 4.11Å; R194-L197 PolarHBondContact O-N 3.22Å; R194-L197 VanDerWaalsContact O-N 3.1Å; R194-L198 PolarHBondContact O-N 2.93Å
195P98Very high97Very high99 Ų9953.8 Ų53.864%0.64328%0.284SS*.Hα-helixtrans-60.4-36.3-167.921.4-33.1000114D193 L198 S199D193-P195 WeakPolarHBondContact O-CD 3.4Å; P195-L198 PolarHBondContact O-N 2.83Å; P195-S199 WeakPolarHBondContact O-CB 3.4Å; P195-S199 PolarHBondContact O-N 2.88Å
196K98.3Very high97.2Very high103 Ų10358.5 Ų58.545%0.44832%0.318SS..Hα-helixtrans-65.2-43.8176.8-60.1-159.7-156.3119.30111.8E154 L158 R194 S199 W200E154-K196 HydrophobicContact CG-CB 4.34Å; E154-K196 HydrophobicContact CG-CD 4.32Å; E154-K196 WeakPolarHBondContact OE1-CD 3.23Å; E154-K196 WeakPolarHBondContact OE1-CE 3.29Å; E154-K196 IonicContact OE1-NZ 2.78Å; E154-K196 PolarHBondContact OE1-NZ 3.03Å; L158-K196 HydrophobicContact CD2-CB 4.19Å; R194-K196 VanDerWaalsContact C-N 3.34Å; R194-K196 PolarHBondContact O-N 2.92Å; K196-S199 WeakPolarHBondContact O-CB 3.24Å; K196-S199 PolarHBondContact O-N 2.99Å; K196-W200 WeakPolarHBondContact O-CB 3.32Å; K196-W200 PolarHBondContact O-N 3.42Å
197L98.6Very high97.4Very high0 Ų060.1 Ų60.10%033%0.329CS..Hα-helixtrans-71.5-32.5178.2-70.2166.9000112.4L150 L153 E154 L158 L191 R194 W200 K201L150-L197 HydrophobicContact CB-CD1 4.26Å; L150-L197 HydrophobicContact CD2-CD1 4.17Å; L153-L197 HydrophobicContact CD2-CD2 3.9Å; L153-L197 HydrophobicContact CG-CD2 4.26Å; E154-L197 HydrophobicContact CB-CD1 4.3Å; E154-L197 HydrophobicContact CB-CG 4.39Å; L158-L197 HydrophobicContact CD2-CD2 3.87Å; L158-L197 HydrophobicContact CD2-CG 4.39Å; L191-L197 HydrophobicContact CD1-CB 4.49Å; L191-L197 HydrophobicContact CD2-CB 3.88Å; L191-L197 HydrophobicContact CD2-CD1 4.11Å; R194-L197 HydrophobicContact CB-CB 4.12Å; R194-L197 HydrophobicContact CB-CD1 4.11Å; R194-L197 PolarHBondContact O-N 3.22Å; R194-L197 VanDerWaalsContact O-N 3.1Å; L197-W200 HydrophobicContact CD2-CE3 4.16Å; L197-W200 PolarHBondContact O-N 3.37Å; L197-K201 WeakPolarHBondContact O-CB 3.42Å; L197-K201 PolarHBondContact O-N 3.03Å
198L98.2Very high97.6Very high62 Ų6258.7 Ų58.733%0.32531%0.313SS..Hα-helixtrans-62.6-45.5169.5-75.2172.6000111.7L191 K192 R194 P195 W200 K201 S202L191-L198 HydrophobicContact CB-CD2 3.7Å; L191-L198 HydrophobicContact CB-CG 4.15Å; L191-L198 WeakPolarHBondContact O-CD1 3.29Å; L191-L198 WeakPolarHBondContact O-CG 3.32Å; K192-L198 WeakPolarHBondContact O-CD1 3.46Å; R194-L198 PolarHBondContact O-N 2.93Å; P195-L198 PolarHBondContact O-N 2.83Å; L198-W200 VanDerWaalsContact C-N 3.34Å; L198-W200 PolarHBondContact O-N 3.18Å; L198-K201 PolarHBondContact O-N 3.49Å; L198-S202 WeakPolarHBondContact O-CB 3.3Å; L198-S202 PolarHBondContact O-N 2.7Å
199S98.4Very high97.8Very high58 Ų5856 Ų5641%0.40631%0.314SS..Hα-helixtrans-62-42.8177.2-168.60000111.4P195 K196 S202 R203P195-S199 WeakPolarHBondContact O-CB 3.4Å; P195-S199 PolarHBondContact O-N 2.88Å; K196-S199 WeakPolarHBondContact O-CB 3.24Å; K196-S199 PolarHBondContact O-N 2.99Å; S199-S202 PolarHBondContact O-N 2.79Å; S199-R203 PolarHBondContact O-N 3.01Å; S199-R203 VanDerWaalsContact O-N 3.11Å; S199-R203 PolarHBondContact O-NH1 3.02Å; S199-R203 PolarHBondContact OG-NH1 3.4Å
200W98.8Very high97.9Very high0 Ų058.9 Ų58.90%033%0.33CS..Hα-helixtrans-60.1-51.6172.3163.577.5000112.2L158 L164 D173 A176 V177 L180 K196 L197 L198 S202 R203 V204L158-W200 HydrophobicContact CD1-CB 3.93Å; L158-W200 HydrophobicContact CD1-CG 3.95Å; L158-W200 HydrophobicContact CD2-CB 3.77Å; L158-W200 HydrophobicContact CD2-CG 4.27Å; L164-W200 HydrophobicContact CD1-CZ2 4.01Å; L164-W200 HydrophobicContact CD2-CZ2 4.49Å; L164-W200 HydrophobicContact CG-CZ2 4.13Å; D173-W200 HydrophobicContact CB-CZ2 4.39Å; D173-W200 PolarHBondContact OD1-NE1 3.2Å; A176-W200 HydrophobicContact CB-CH2 3.64Å; A176-W200 HydrophobicContact CB-CZ2 3.72Å; V177-W200 HydrophobicContact CB-CH2 3.95Å; V177-W200 HydrophobicContact CB-CZ2 4.43Å; V177-W200 HydrophobicContact CG2-CH2 4.28Å; L180-W200 HydrophobicContact CD1-CH2 4.11Å; L180-W200 HydrophobicContact CD1-CZ3 3.81Å; K196-W200 WeakPolarHBondContact O-CB 3.32Å; K196-W200 PolarHBondContact O-N 3.42Å; L197-W200 HydrophobicContact CD2-CE3 4.16Å; L197-W200 PolarHBondContact O-N 3.37Å; L198-W200 VanDerWaalsContact C-N 3.34Å; L198-W200 PolarHBondContact O-N 3.18Å; W200-S202 PolarHBondContact O-N 3.19Å; W200-R203 PolarHBondContact O-N 3.47Å; W200-R203 VanDerWaalsContact O-N 3.11Å; W200-V204 HydrophobicContact CD2-CG2 4.34Å; W200-V204 HydrophobicContact CG-CG2 4.49Å; W200-V204 HydrophobicContact CZ2-CG2 4.07Å; W200-V204 WeakPolarHBondContact O-CG2 3.32Å; W200-V204 PolarHBondContact O-N 3.34Å
201K98.7Very high97.9Very high27 Ų2758.5 Ų58.512%0.11733%0.33CS..Hα-helixtrans-56.9-40.5177.6172.7-179.1162.9-171.70111.4V177 M181 L191 L197 L198 V204 Q205V177-K201 HydrophobicContact CG2-CG 4.21Å; M181-K201 HydrophobicContact SD-CD 4.44Å; M181-K201 VanDerWaalsContact SD-CE 3.57Å; L191-K201 HydrophobicContact CD1-CB 4.14Å; L191-K201 HydrophobicContact CD1-CD 3.8Å; L197-K201 WeakPolarHBondContact O-CB 3.42Å; L197-K201 PolarHBondContact O-N 3.03Å; L198-K201 PolarHBondContact O-N 3.49Å; K201-V204 PolarHBondContact O-N 2.8Å; K201-Q205 WeakPolarHBondContact O-CB 3.45Å; K201-Q205 PolarHBondContact O-N 3.32Å
202S98.6Very high97.9Very high75 Ų7558.5 Ų58.552%0.52433%0.329SS..Hα-helixtrans-61.9-45.1177.2178.70000112L198 S199 W200 Q205 S206L198-S202 WeakPolarHBondContact O-CB 3.3Å; L198-S202 PolarHBondContact O-N 2.7Å; S199-S202 PolarHBondContact O-N 2.79Å; W200-S202 PolarHBondContact O-N 3.19Å; S202-Q205 WeakPolarHBondContact O-CB 3.28Å; S202-Q205 PolarHBondContact O-N 2.81Å; S202-S206 PolarHBondContact O-N 3.4Å
203R98.8Very high98Very high79 Ų7953.5 Ų53.530%0.29832%0.315SS..Hα-helixtrans-61.4-44.9173.8-73.1-174.4-68.3-83.92.3112.1P162 F163 S199 W200 S206 A207P162-R203 VanDerWaalsContact O-CZ 3.32Å; P162-R203 PolarHBondContact O-NE 3.46Å; P162-R203 PolarHBondContact O-NH2 3.31Å; F163-R203 HydrophobicContact CE1-CB 4.02Å; F163-R203 HydrophobicContact CZ-CB 4.01Å; S199-R203 PolarHBondContact O-N 3.01Å; S199-R203 VanDerWaalsContact O-N 3.11Å; S199-R203 PolarHBondContact O-NH1 3.02Å; S199-R203 PolarHBondContact OG-NH1 3.4Å; W200-R203 PolarHBondContact O-N 3.47Å; W200-R203 VanDerWaalsContact O-N 3.11Å; R203-S206 PolarHBondContact O-N 2.81Å; R203-A207 WeakPolarHBondContact O-CB 3.37Å; R203-A207 PolarHBondContact O-N 3.37Å
204V98.8Very high98.1Very high0 Ų053.4 Ų53.40%031%0.309CS..Hα-helixtrans-61.7-44.5176.4174.20000111F163 I169 D173 V177 W200 K201 S206 A207 L208F163-V204 HydrophobicContact CD1-CG2 3.87Å; F163-V204 HydrophobicContact CE1-CG2 3.88Å; I169-V204 HydrophobicContact CD1-CG1 4.1Å; D173-V204 HydrophobicContact CB-CG2 3.94Å; V177-V204 HydrophobicContact CB-CG1 3.88Å; V177-V204 HydrophobicContact CG1-CG1 3.71Å; V177-V204 HydrophobicContact CG2-CG1 4.06Å; W200-V204 HydrophobicContact CD2-CG2 4.34Å; W200-V204 HydrophobicContact CG-CG2 4.49Å; W200-V204 HydrophobicContact CZ2-CG2 4.07Å; W200-V204 WeakPolarHBondContact O-CG2 3.32Å; W200-V204 PolarHBondContact O-N 3.34Å; K201-V204 PolarHBondContact O-N 2.8Å; V204-S206 VanDerWaalsContact C-N 3.33Å; V204-S206 PolarHBondContact O-N 3.31Å; V204-A207 PolarHBondContact O-N 2.97Å; V204-L208 HydrophobicContact CG1-CD1 3.64Å; V204-L208 HydrophobicContact CG1-CG 4.25Å; V204-L208 WeakPolarHBondContact O-CB 3.44Å; V204-L208 WeakPolarHBondContact O-CG 3.43Å; V204-L208 PolarHBondContact O-N 2.93Å
205Q98.4Very high98.1Very high74 Ų7451.1 Ų51.135%0.34630%0.3SS..Hα-helixtrans-57.2-46.6174.6-108.7178.7-58.700112K201 S202 A207 L208 G209 F212K201-Q205 WeakPolarHBondContact O-CB 3.45Å; K201-Q205 PolarHBondContact O-N 3.32Å; S202-Q205 WeakPolarHBondContact O-CB 3.28Å; S202-Q205 PolarHBondContact O-N 2.81Å; Q205-A207 PolarHBondContact O-N 3.35Å; Q205-L208 PolarHBondContact O-N 3.24Å; Q205-G209 PolarHBondContact O-N 3.38Å; Q205-F212 HydrophobicContact CG-CB 4.3Å; Q205-F212 HydrophobicContact CG-CD1 3.29Å; Q205-F212 HydrophobicContact CG-CD2 3.7Å; Q205-F212 HydrophobicContact CG-CE1 3.32Å; Q205-F212 HydrophobicContact CG-CE2 3.73Å; Q205-F212 HydrophobicContact CG-CG 3.47Å; Q205-F212 VanDerWaalsContact CG-CG 3.47Å; Q205-F212 HydrophobicContact CG-CZ 3.53Å
206S98.3Very high98.1Very high101 Ų10146.4 Ų46.471%0.70627%0.27SS*.Hα-helixtrans-61.9-43.2178.5-168.90000111.8S202 R203 V204 L208 G209S202-S206 PolarHBondContact O-N 3.4Å; R203-S206 PolarHBondContact O-N 2.81Å; V204-S206 VanDerWaalsContact C-N 3.33Å; V204-S206 PolarHBondContact O-N 3.31Å; S206-L208 VanDerWaalsContact C-N 3.3Å; S206-L208 PolarHBondContact O-N 2.87Å; S206-G209 PolarHBondContact O-N 3.27Å
207A98.1Very high98Very high53 Ų5344.9 Ų44.944%0.43827%0.269SS..Hα-helixtrans-67-30.7179.300000113I169 R203 V204 Q205I169-A207 HydrophobicContact CB-CB 4.38Å; I169-A207 HydrophobicContact CD1-CB 3.8Å; I169-A207 HydrophobicContact CG2-CB 4.22Å; R203-A207 WeakPolarHBondContact O-CB 3.37Å; R203-A207 PolarHBondContact O-N 3.37Å; V204-A207 PolarHBondContact O-N 2.97Å; Q205-A207 PolarHBondContact O-N 3.35Å
208L98.3Very high97.9Very high5 Ų547.2 Ų47.23%0.02628%0.283CS..Hα-helixtrans-87.1-17.1-179.7-66177.5000113.8I25 W90 I169 L174 V177 V204 Q205 S206 S211 F212I25-L208 HydrophobicContact CG2-CB 4.37Å; I25-L208 HydrophobicContact CG2-CD1 3.99Å; I25-L208 HydrophobicContact CG2-CD2 3.5Å; I25-L208 HydrophobicContact CG2-CG 4.15Å; W90-L208 HydrophobicContact CH2-CD2 3.68Å; W90-L208 HydrophobicContact CZ2-CD2 4.4Å; I169-L208 HydrophobicContact CD1-CD2 3.9Å; I169-L208 HydrophobicContact CD1-CG 4.01Å; L174-L208 HydrophobicContact CD1-CD1 4.18Å; L174-L208 HydrophobicContact CD1-CD2 4.32Å; V177-L208 HydrophobicContact CG1-CD1 4.15Å; V204-L208 HydrophobicContact CG1-CD1 3.64Å; V204-L208 HydrophobicContact CG1-CG 4.25Å; V204-L208 WeakPolarHBondContact O-CB 3.44Å; V204-L208 WeakPolarHBondContact O-CG 3.43Å; V204-L208 PolarHBondContact O-N 2.93Å; Q205-L208 PolarHBondContact O-N 3.24Å; S206-L208 VanDerWaalsContact C-N 3.3Å; S206-L208 PolarHBondContact O-N 2.87Å; L208-S211 WeakPolarHBondContact O-CB 3.48Å; L208-S211 PolarHBondContact O-N 3.42Å; L208-F212 HydrophobicContact CB-CB 4Å; L208-F212 HydrophobicContact CD1-CD2 3.84Å
209G97.5Very high97.8Very high38 Ų3844.3 Ų44.339%0.39227%0.268SS..THydrogen-bonded Turntrans53.2-143.4-179.100000113.1Q205 S206 S211 F212Q205-G209 PolarHBondContact O-N 3.38Å; S206-G209 PolarHBondContact O-N 3.27Å; G209-S211 PolarHBondContact O-N 3.35Å; G209-S211 VanDerWaalsContact O-N 3.09Å; G209-F212 WeakPolarHBondContact O-CB 3.16Å; G209-F212 PolarHBondContact O-N 3.25Å
210D96.6Very high97.7Very high125 Ų12544 Ų4467%0.66826%0.258SS*.Hα-helixtrans-57.5-27.5-177.6-69.8-3.2000114.1F212 G213 K214D210-F212 PolarHBondContact O-N 3.12Å; D210-G213 PolarHBondContact O-N 3.03Å; D210-K214 HydrophobicContact CB-CD 4.5Å; D210-K214 WeakPolarHBondContact O-CG 3.49Å; D210-K214 PolarHBondContact O-N 3.02Å
211S97.4Very high97.6Very high17 Ų1746.4 Ų46.412%0.11928%0.276CS..Hα-helixtrans-59.4-33.3179.4-61.30000111.2N28 L208 G209 A215N28-S211 WeakPolarHBondContact CB-OG 3.24Å; L208-S211 WeakPolarHBondContact O-CB 3.48Å; L208-S211 PolarHBondContact O-N 3.42Å; G209-S211 PolarHBondContact O-N 3.35Å; G209-S211 VanDerWaalsContact O-N 3.09Å; S211-A215 WeakPolarHBondContact O-CB 3.41Å; S211-A215 PolarHBondContact O-N 3.41Å; S211-A215 VanDerWaalsContact O-N 3.1Å
212F98.3Very high97.3Very high3 Ų347.1 Ų47.11%0.01328%0.28CS..Hα-helixtrans-60.2-53.8175.8-174.2-88000111.6V177 M181 Q205 L208 G209 D210 H216V177-F212 HydrophobicContact CB-CE2 4.47Å; V177-F212 HydrophobicContact CG1-CE2 4.01Å; V177-F212 HydrophobicContact CG2-CE2 3.61Å; V177-F212 HydrophobicContact CG2-CZ 4.2Å; M181-F212 HydrophobicContact CE-CE1 3.9Å; M181-F212 HydrophobicContact CE-CZ 3.84Å; M181-F212 HydrophobicContact CG-CE2 4.4Å; M181-F212 HydrophobicContact CG-CZ 3.83Å; M181-F212 HydrophobicContact SD-CE1 4.4Å; M181-F212 HydrophobicContact SD-CZ 3.81Å; Q205-F212 HydrophobicContact CG-CB 4.3Å; Q205-F212 HydrophobicContact CG-CD1 3.29Å; Q205-F212 HydrophobicContact CG-CD2 3.7Å; Q205-F212 HydrophobicContact CG-CE1 3.32Å; Q205-F212 HydrophobicContact CG-CE2 3.73Å; Q205-F212 HydrophobicContact CG-CG 3.47Å; Q205-F212 VanDerWaalsContact CG-CG 3.47Å; Q205-F212 HydrophobicContact CG-CZ 3.53Å; L208-F212 HydrophobicContact CB-CB 4Å; L208-F212 HydrophobicContact CD1-CD2 3.84Å; G209-F212 WeakPolarHBondContact O-CB 3.16Å; G209-F212 PolarHBondContact O-N 3.25Å; D210-F212 PolarHBondContact O-N 3.12Å; F212-H216 AromaticContact CD1-ND1 3.97Å; F212-H216 AromaticContact CD2-CE1 3.9Å; F212-H216 AromaticContact CE1-ND1 3.92Å; F212-H216 AromaticContact CE2-CE1 3.67Å; F212-H216 AromaticContact CZ-CE1 3.93Å; F212-H216 AromaticContact CZ-ND1 3.96Å; F212-H216 PolarHBondContact O-N 2.91Å; F212-H216 PolarHBondContact O-ND1 3.17Å
213G96.9Very high97.1Very high28 Ų2846.3 Ų46.329%0.28927%0.266SS..Hα-helixtrans-63.7-46.3-178.300000111.8D210 A215 H216 T217D210-G213 PolarHBondContact O-N 3.03Å; G213-A215 VanDerWaalsContact C-N 3.34Å; G213-A215 PolarHBondContact O-N 3.28Å; G213-H216 PolarHBondContact O-N 2.68Å; G213-T217 PolarHBondContact O-N 3.27Å
214K97Very high96.8Very high127 Ų12746.2 Ų46.255%0.55227%0.271SS*.Hα-helixtrans-58.4-43.8-178.7-71.7173.4-176.7169.90112.3D210 H216 T217D210-K214 HydrophobicContact CB-CD 4.5Å; D210-K214 WeakPolarHBondContact O-CG 3.49Å; D210-K214 PolarHBondContact O-N 3.02Å; K214-H216 VanDerWaalsContact C-N 3.33Å; K214-H216 PolarHBondContact O-N 2.92Å; K214-T217 VanDerWaalsContact O-CG2 3.32Å; K214-T217 WeakPolarHBondContact O-CG2 3.43Å; K214-T217 PolarHBondContact O-OG1 2.94Å
215A97.6Very high96.1Very high0 Ų054.3 Ų54.30%030%0.302CS..Hα-helixtrans-69.3-27.6-179.600000113.6R21 I25 S211 G213R21-A215 HydrophobicContact CB-CB 4.24Å; R21-A215 WeakPolarHBondContact CD-O 3.46Å; R21-A215 HydrophobicContact CG-CB 4.37Å; R21-A215 WeakPolarHBondContact CG-O 3.24Å; I25-A215 HydrophobicContact CD1-CB 3.74Å; I25-A215 HydrophobicContact CG1-CB 3.39Å; S211-A215 WeakPolarHBondContact O-CB 3.41Å; S211-A215 PolarHBondContact O-N 3.41Å; S211-A215 VanDerWaalsContact O-N 3.1Å; G213-A215 VanDerWaalsContact C-N 3.34Å; G213-A215 PolarHBondContact O-N 3.28Å
216H98.3Very high95.1Very high0 Ų053.1 Ų53.10%030%0.301CS..Hα-helixtrans-96.35-177.6-64.499.3000114.2R21 M181 F212 G213 K214 V218 L219 Y220R21-H216 VanDerWaalsContact CD-CD2 3.46Å; R21-H216 WeakPolarHBondContact CD-CD2 3.27Å; R21-H216 PolarHBondContact NE-CD2 3.42Å; R21-H216 PolarHBondContact NE-NE2 2.92Å; M181-H216 HydrophobicContact CE-CB 4.39Å; F212-H216 AromaticContact CD1-ND1 3.97Å; F212-H216 AromaticContact CD2-CE1 3.9Å; F212-H216 AromaticContact CE1-ND1 3.92Å; F212-H216 AromaticContact CE2-CE1 3.67Å; F212-H216 AromaticContact CZ-CE1 3.93Å; F212-H216 AromaticContact CZ-ND1 3.96Å; F212-H216 PolarHBondContact O-N 2.91Å; F212-H216 PolarHBondContact O-ND1 3.17Å; G213-H216 PolarHBondContact O-N 2.68Å; K214-H216 VanDerWaalsContact C-N 3.33Å; K214-H216 PolarHBondContact O-N 2.92Å; H216-V218 VanDerWaalsContact C-N 3.28Å; H216-V218 PolarHBondContact O-N 3.27Å; H216-L219 WeakPolarHBondContact O-CB 3.5Å; H216-L219 PolarHBondContact O-N 3.14Å; H216-Y220 HydrophobicContact CB-CE1 3.98Å; H216-Y220 HydrophobicContact CB-CE2 3.92Å; H216-Y220 PolarHBondContact O-N 3.3Å
217T97.1Very high93.8Very high71 Ų7154.3 Ų54.344%0.43629%0.294SS..Hα-helixtrans-51.8-41.6179.847.20000113.9G213 K214 L219 Y220 S221G213-T217 PolarHBondContact O-N 3.27Å; K214-T217 VanDerWaalsContact O-CG2 3.32Å; K214-T217 WeakPolarHBondContact O-CG2 3.43Å; K214-T217 PolarHBondContact O-OG1 2.94Å; T217-L219 VanDerWaalsContact C-N 3.32Å; T217-L219 PolarHBondContact O-N 2.96Å; T217-Y220 PolarHBondContact O-N 2.92Å; T217-S221 PolarHBondContact O-N 2.66Å
218V95.9Very high91.8Very high49 Ų4955.7 Ų55.730%0.29731%0.306SS..Hα-helixtrans-60.8-41.7176.8178.40000111.2L15 L16 H216 S221 L222L15-V218 HydrophobicContact CB-CG2 3.95Å; L16-V218 HydrophobicContact CB-CG1 4.28Å; L16-V218 HydrophobicContact CD1-CG1 4.11Å; H216-V218 VanDerWaalsContact C-N 3.28Å; H216-V218 PolarHBondContact O-N 3.27Å; V218-S221 PolarHBondContact O-N 2.86Å; V218-L222 HydrophobicContact CG1-CD1 4.48Å; V218-L222 WeakPolarHBondContact O-CG 3.29Å; V218-L222 PolarHBondContact O-N 3.39Å; V218-L222 VanDerWaalsContact O-N 3.09Å
219L96.4Very high89.9Confident0 Ų064.3 Ų64.30%034%0.343CS..Hα-helixtrans-69-39.8177.7-60.2-171.8000111.8L16 M181 H216 T217 S221 L222 R223L16-L219 HydrophobicContact CD1-CD2 4.08Å; M181-L219 HydrophobicContact CB-CD1 4.31Å; M181-L219 VanDerWaalsContact O-CD1 3.23Å; M181-L219 WeakPolarHBondContact O-CD1 3.28Å; H216-L219 WeakPolarHBondContact O-CB 3.5Å; H216-L219 PolarHBondContact O-N 3.14Å; T217-L219 VanDerWaalsContact C-N 3.32Å; T217-L219 PolarHBondContact O-N 2.96Å; L219-S221 VanDerWaalsContact C-N 3.32Å; L219-S221 PolarHBondContact O-N 2.89Å; L219-L222 HydrophobicContact CD2-CD1 4.49Å; L219-L222 PolarHBondContact O-N 3.11Å; L219-R223 WeakPolarHBondContact O-CB 3.31Å; L219-R223 PolarHBondContact O-N 3.44Å
220Y96.8Very high87.5Confident51 Ų5172.2 Ų72.220%0.238%0.375CS..Hα-helixtrans-61-43175.3-57-29.8000111.2M181 L184 H216 T217 L222 R223 D224M181-Y220 HydrophobicContact CE-CE1 3.86Å; L184-Y220 HydrophobicContact CD2-CD1 3.9Å; L184-Y220 HydrophobicContact CD2-CE1 3.66Å; H216-Y220 HydrophobicContact CB-CE1 3.98Å; H216-Y220 HydrophobicContact CB-CE2 3.92Å; H216-Y220 PolarHBondContact O-N 3.3Å; T217-Y220 PolarHBondContact O-N 2.92Å; Y220-L222 VanDerWaalsContact C-N 3.35Å; Y220-L222 PolarHBondContact O-N 3.28Å; Y220-R223 WeakPolarHBondContact O-CB 3.5Å; Y220-R223 PolarHBondContact O-N 3.1Å; Y220-D224 WeakPolarHBondContact O-CB 3.36Å; Y220-D224 PolarHBondContact O-N 2.91Å
221S95.1Very high87Confident52 Ų5269.6 Ų69.636%0.36436%0.36SS..Hα-helixtrans-62-41.1175.9-169.70000112.6T217 V218 L219 R225T217-S221 PolarHBondContact O-N 2.66Å; V218-S221 PolarHBondContact O-N 2.86Å; L219-S221 VanDerWaalsContact C-N 3.32Å; L219-S221 PolarHBondContact O-N 2.89Å; S221-R225 VanDerWaalsContact O-CG 3.29Å; S221-R225 WeakPolarHBondContact O-CG 3.43Å; S221-R225 PolarHBondContact O-N 3.14Å; S221-R225 VanDerWaalsContact O-N 3.09Å
222L93.8Very high86.5Confident41 Ų4172.4 Ų72.422%0.21537%0.373CS..Hα-helixtrans-64.5-45.6176-70.9173.6000111.9L16 F120 G185 V218 L219 Y220 D224 R225 S226L16-L222 HydrophobicContact CD1-CD1 3.63Å; F120-L222 HydrophobicContact CE2-CD1 4.13Å; F120-L222 HydrophobicContact CZ-CD1 3.88Å; G185-L222 CarbonylContact O-C 3.58Å; G185-L222 VanDerWaalsContact O-C 3.29Å; G185-L222 WeakPolarHBondContact O-CB 3.42Å; V218-L222 HydrophobicContact CG1-CD1 4.48Å; V218-L222 WeakPolarHBondContact O-CG 3.29Å; V218-L222 PolarHBondContact O-N 3.39Å; V218-L222 VanDerWaalsContact O-N 3.09Å; L219-L222 HydrophobicContact CD2-CD1 4.49Å; L219-L222 PolarHBondContact O-N 3.11Å; Y220-L222 VanDerWaalsContact C-N 3.35Å; Y220-L222 PolarHBondContact O-N 3.28Å; L222-D224 VanDerWaalsContact C-N 3.33Å; L222-D224 PolarHBondContact O-N 3.05Å; L222-R225 PolarHBondContact O-N 3.24Å; L222-S226 PolarHBondContact O-N 3.41Å
223R93.6Very high85.8Confident59 Ų5976.2 Ų76.222%0.22339%0.393CS..Hα-helixtrans-54.4-49.9175.7-175.9-163.264.4-156.1-9.4111.4L184 G185 L219 Y220 S226 K227L184-R223 HydrophobicContact CD1-CG 4.37Å; L184-R223 VanDerWaalsContact O-CB 3.27Å; L184-R223 WeakPolarHBondContact O-CB 3.45Å; L184-R223 WeakPolarHBondContact O-CG 3.12Å; G185-R223 PolarHBondContact O-N 3.17Å; L219-R223 WeakPolarHBondContact O-CB 3.31Å; L219-R223 PolarHBondContact O-N 3.44Å; Y220-R223 WeakPolarHBondContact O-CB 3.5Å; Y220-R223 PolarHBondContact O-N 3.1Å; R223-S226 WeakPolarHBondContact O-CB 3.26Å; R223-S226 PolarHBondContact O-N 2.89Å; R223-K227 PolarHBondContact O-N 3.36Å
224D91.8Very high85.2Confident77 Ų7779.1 Ų79.141%0.41240%0.399SS..Hα-helixtrans-69.9-36.5-173.7-62.3-18.1000111.1Y220 L222 K227 A228Y220-D224 WeakPolarHBondContact O-CB 3.36Å; Y220-D224 PolarHBondContact O-N 2.91Å; L222-D224 VanDerWaalsContact C-N 3.33Å; L222-D224 PolarHBondContact O-N 3.05Å; D224-K227 PolarHBondContact O-N 3.05Å; D224-A228 PolarHBondContact O-N 3.43Å; D224-A228 VanDerWaalsContact O-N 3.15Å
225R85.9Confident84.4Confident169 Ų16976.1 Ų76.164%0.63839%0.39SS*.Hα-helixtrans-65-37.4170.5-71.3175.9-169-154.60.5112.9S221 L222 K227 A228S221-R225 VanDerWaalsContact O-CG 3.29Å; S221-R225 WeakPolarHBondContact O-CG 3.43Å; S221-R225 PolarHBondContact O-N 3.14Å; S221-R225 VanDerWaalsContact O-N 3.09Å; L222-R225 PolarHBondContact O-N 3.24Å; R225-K227 VanDerWaalsContact C-N 3.35Å; R225-A228 PolarHBondContact O-N 3.33Å
226S75.6Confident83.6Confident49 Ų4981.1 Ų81.134%0.34342%0.416SS..Hα-helixtrans-66-39.5177.2-168.70000111.4L222 R223 A228 K229L222-S226 PolarHBondContact O-N 3.41Å; R223-S226 WeakPolarHBondContact O-CB 3.26Å; R223-S226 PolarHBondContact O-N 2.89Å; S226-A228 VanDerWaalsContact C-N 3.33Å; S226-K229 PolarHBondContact O-N 3.19Å
227K71.3Confident82.5Confident126 Ų12686.9 Ų86.955%0.54845%0.446SS..Hα-helixtrans-65.7-35.2176.2-73.5-175.8175.3-172.60112.7R223 D224 R225 K229 L230R223-K227 PolarHBondContact O-N 3.36Å; D224-K227 PolarHBondContact O-N 3.05Å; R225-K227 VanDerWaalsContact C-N 3.35Å; K227-K229 PolarHBondContact O-N 3.27Å; K227-L230 PolarHBondContact O-N 3.1Å
228A57.7Low81.4Confident83 Ų8388.2 Ų88.269%0.68645%0.446SS*.THydrogen-bonded Turntrans-71.9-7.417900000114.6D224 R225 S226D224-A228 PolarHBondContact O-N 3.43Å; D224-A228 VanDerWaalsContact O-N 3.15Å; R225-A228 PolarHBondContact O-N 3.33Å; S226-A228 VanDerWaalsContact C-N 3.33Å
229K57Low80.2Confident185 Ų18591.4 Ų91.480%0.80446%0.459SS*.THydrogen-bonded Turntrans-99.6-6.8177.1-69.2-173.9178.5-170.40113.8S226 K227S226-K229 PolarHBondContact O-N 3.19Å; K227-K229 PolarHBondContact O-N 3.27Å
230L47.3Very low78.7Confident205 Ų20599.7 Ų99.7100%1.07350%0.5SS*.  trans-93.50172.9-68.7168.6000109.2K227K227-L230 PolarHBondContact O-N 3.1Å

Retrieved 230 of 230 residues in 910.9 ms (Link to these results)

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