A0A077Z4X9_TRITR Loading...

Superoxide dismutase

Destroys radicals which are normally produced within the cells and which are toxic to biological systems. Destroys superoxide anion radicals which are normally produced within the cells and which are toxic to biological systems.

AlphaFold DB , UniProt , Accession A0A077Z4X9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 203 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
1M51Low88.5Confident231 Ų23195 Ų95100%1.13855%0.55SS*.  0134.80-71.4-152.2-86.600107.8
2A64.9Low89.3Confident82 Ų8289.3 Ų89.368%0.67851%0.513SS*.PPolyproline II helixtrans-60.1147.9172.800000109.6K4A2-K4 PolarHBondContact O-N 2.58Å
3A82.6Confident90Very high95 Ų9591.5 Ų91.579%0.78552%0.522SS*.PPolyproline II helixtrans-61.4136174.800000109.4
4K93.2Very high90.6Very high151 Ų15188.4 Ų88.466%0.65750%0.498SS*.PPolyproline II helixtrans-63.1145.7175.2-71.9-170.2175-170.70109.9A2A2-K4 PolarHBondContact O-N 2.58Å
5H97.2Very high91.1Very high59 Ų5984.1 Ų84.127%0.27348%0.481SS..PPolyproline II helixtrans-62.2145.2170.7-59.8-80.9000110.1V38 L41 N42 E45H5-V38 HydrophobicContact CB-CG1 4.07Å; H5-V38 WeakPolarHBondContact O-CG1 3.34Å; H5-L41 HydrophobicContact CB-CD2 4.27Å; H5-L41 VanDerWaalsContact CD2-CD2 3.41Å; H5-L41 WeakPolarHBondContact CD2-CD2 3.42Å; H5-N42 PolarHBondContact CD2-OD1 3.34Å; H5-N42 PolarHBondContact N-OD1 2.86Å; H5-N42 PolarHBondContact O-ND2 3.02Å; H5-E45 IonicContact CD2-OE1 3.22Å; H5-E45 IonicContact CD2-OE2 3.77Å; H5-E45 PolarHBondContact CD2-OE2 3.47Å; H5-E45 VanDerWaalsContact CD2-OE2 3.22Å; H5-E45 IonicContact CE1-OE1 2.82Å; H5-E45 IonicContact NE2-OE1 2.95Å; H5-E45 PolarHBondContact NE2-OE1 3.35Å; H5-E45 IonicContact NE2-OE2 2.58Å; H5-E45 PolarHBondContact NE2-OE2 2.96Å
6T97.1Very high91.6Very high102 Ų10280.8 Ų80.863%0.62647%0.467SS*.  trans-128.9150.6179.155.70000110.3P8 H74T6-P8 WeakPolarHBondContact O-CD 3.32Å; T6-H74 PolarHBondContact O-CE1 3.12Å
7V97.5Very high92Very high42 Ų4276.1 Ų76.126%0.25544%0.44SS..PPolyproline II helixtrans-67.8121.9169.2-172.70000107.5H30 H34 A35 V38V7-H30 VanDerWaalsContact CG1-NE2 3.31Å; V7-H30 WeakPolarHBondContact CG1-NE2 3.41Å; V7-H34 HydrophobicContact CG1-CB 4.37Å; V7-A35 HydrophobicContact CG2-CB 3.92Å; V7-V38 HydrophobicContact CG2-CB 4.05Å; V7-V38 HydrophobicContact CG2-CG1 4.39Å; V7-V38 HydrophobicContact CG2-CG2 3.85Å
8P97.4Very high92.3Very high35 Ų3578.1 Ų78.123%0.22744%0.444CS..PPolyproline II helixtrans-70.1142.4177.930.3-33.8000109.8T6 H30 H34T6-P8 WeakPolarHBondContact O-CD 3.32Å; P8-H30 PolarHBondContact O-NE2 3.1Å; P8-H34 WeakPolarHBondContact CD-CE1 3.42Å
9D97.7Very high92.6Very high145 Ų14579.7 Ų79.778%0.77546%0.458SS*.PPolyproline II helixtrans-60.4144.3172.6-67.1-42.8000111.1
10L98Very high92.8Very high26 Ų2676.1 Ų76.114%0.13644%0.437CS..PPolyproline II helixtrans-67.1138.9172.2-69.2-176.4000110Y12 Y14 M26 H30 W81L10-Y12 WeakPolarHBondContact CB-O 3.19Å; L10-Y12 HydrophobicContact CD1-CE2 4.48Å; L10-Y12 PolarHBondContact O-N 3.2Å; L10-Y12 VanDerWaalsContact O-N 3.13Å; L10-Y14 HydrophobicContact CD1-CD1 3.49Å; L10-Y14 VanDerWaalsContact CD1-CD1 3.49Å; L10-Y14 HydrophobicContact CD1-CE1 3.35Å; L10-Y14 HydrophobicContact CD1-CG 4.42Å; L10-Y14 HydrophobicContact CG-CE1 4.35Å; L10-M26 HydrophobicContact CD1-CE 4.17Å; L10-H30 HydrophobicContact CD1-CB 4.27Å; L10-H30 HydrophobicContact CG-CB 4.46Å; L10-W81 HydrophobicContact CD2-CB 3.73Å; L10-W81 HydrophobicContact CD2-CD2 3.51Å; L10-W81 HydrophobicContact CD2-CE3 3.78Å; L10-W81 HydrophobicContact CD2-CG 3.45Å; L10-W81 VanDerWaalsContact CD2-CG 3.45Å
11P97.1Very high93.1Very high77 Ų7772.5 Ų72.550%0.542%0.417SS..SBendtrans-76.66.1177.729-29.6000113.4
12Y98.1Very high95.4Very high27 Ų2762.4 Ų62.411%0.10637%0.369CS..SBendtrans-154.4164.7-179.743.6-101.2000110.5L10 A16 L17 M26 W81 L84L10-Y12 WeakPolarHBondContact CB-O 3.19Å; L10-Y12 HydrophobicContact CD1-CE2 4.48Å; L10-Y12 PolarHBondContact O-N 3.2Å; L10-Y12 VanDerWaalsContact O-N 3.13Å; Y12-A16 HydrophobicContact CD2-CB 4.23Å; Y12-A16 HydrophobicContact CG-CB 4.35Å; Y12-L17 HydrophobicContact CD2-CD2 4.31Å; Y12-L17 HydrophobicContact CD2-CG 4.31Å; Y12-L17 HydrophobicContact CE2-CD1 3.85Å; Y12-L17 HydrophobicContact CE2-CD2 4.16Å; Y12-L17 HydrophobicContact CE2-CG 3.97Å; Y12-M26 HydrophobicContact CE2-CE 3.85Å; Y12-W81 VanDerWaalsContact CE1-O 3.24Å; Y12-W81 WeakPolarHBondContact CE1-O 3.32Å; Y12-W81 PolarHBondContact OH-O 3.04Å; Y12-L84 HydrophobicContact CE1-CB 4.37Å; Y12-L84 WeakPolarHBondContact CE1-O 3.49Å; Y12-L84 WeakPolarHBondContact OH-CB 3.43Å
13D98.2Very high97Very high117 Ų11759.5 Ų59.563%0.62635%0.345SS*.  trans-64.5151.5175.1-173.2-88.4000111.8G15 A16D13-G15 PolarHBondContact O-N 3.26Å; D13-G15 PolarHBondContact OD1-N 3.25Å; D13-A16 HydrophobicContact CB-CB 4.32Å; D13-A16 WeakPolarHBondContact O-CB 3.49Å; D13-A16 PolarHBondContact O-N 3.04Å
14Y98.4Very high97.8Very high49 Ų4960.5 Ų60.519%0.19233%0.333CS..THydrogen-bonded Turntrans-56.1-35.2-180-69.4-69.7000113.9L10 A16 A23 M26 Q27 H30 Q31L10-Y14 HydrophobicContact CD1-CD1 3.49Å; L10-Y14 VanDerWaalsContact CD1-CD1 3.49Å; L10-Y14 HydrophobicContact CD1-CE1 3.35Å; L10-Y14 HydrophobicContact CD1-CG 4.42Å; L10-Y14 HydrophobicContact CG-CE1 4.35Å; Y14-A16 VanDerWaalsContact C-N 3.34Å; Y14-A23 WeakPolarHBondContact O-CA 3.48Å; Y14-M26 HydrophobicContact CD1-CB 3.97Å; Y14-M26 WeakPolarHBondContact O-CB 3.38Å; Y14-M26 WeakPolarHBondContact O-CG 3.31Å; Y14-Q27 HydrophobicContact CD1-CB 4.24Å; Y14-Q27 HydrophobicContact CD1-CG 3.62Å; Y14-Q27 HydrophobicContact CD2-CG 3.7Å; Y14-Q27 HydrophobicContact CE1-CG 4.15Å; Y14-Q27 HydrophobicContact CE2-CG 4.23Å; Y14-Q27 HydrophobicContact CG-CB 4.44Å; Y14-Q27 HydrophobicContact CG-CG 3.37Å; Y14-H30 HydrophobicContact CE1-CB 3.87Å; Y14-H30 AromaticContact CE1-ND1 3.79Å; Y14-H30 AromaticContact CZ-ND1 3.8Å; Y14-H30 PolarHBondContact OH-ND1 3.19Å; Y14-Q31 HydrophobicContact CE1-CG 4.43Å; Y14-Q31 VanDerWaalsContact CZ-NE2 3.31Å; Y14-Q31 VanDerWaalsContact OH-CG 3.31Å; Y14-Q31 WeakPolarHBondContact OH-CG 3.33Å; Y14-Q31 PolarHBondContact OH-NE2 3.47Å
15G98.3Very high98Very high23 Ų2353.3 Ų53.324%0.23730%0.302CS..THydrogen-bonded Turntrans-86.20.7177.300000114.6D13 L17 E18D13-G15 PolarHBondContact O-N 3.26Å; D13-G15 PolarHBondContact OD1-N 3.25Å; G15-L17 PolarHBondContact O-N 3.16Å; G15-L17 VanDerWaalsContact O-N 3.14Å; G15-E18 PolarHBondContact O-N 3.32Å
16A98.3Very high98.1Very high31 Ų3150.6 Ų50.626%0.25629%0.29SS..THydrogen-bonded Turntrans-67.4-18.4-171.300000113.9Y12 D13 Y14 P86Y12-A16 HydrophobicContact CD2-CB 4.23Å; Y12-A16 HydrophobicContact CG-CB 4.35Å; D13-A16 HydrophobicContact CB-CB 4.32Å; D13-A16 WeakPolarHBondContact O-CB 3.49Å; D13-A16 PolarHBondContact O-N 3.04Å; Y14-A16 VanDerWaalsContact C-N 3.34Å; A16-P86 HydrophobicContact CB-CB 4.01Å; A16-P86 HydrophobicContact CB-CG 4.28Å; A16-P86 VanDerWaalsContact O-CB 3.28Å; A16-P86 WeakPolarHBondContact O-CB 3.42Å
17L98.5Very high98.2Very high2 Ų250 Ų501%0.0128%0.28CS..THydrogen-bonded Turntrans-97.12.1-179-52.3-172.6000113.2Y12 G15 T20 I21 M26 L84 V186Y12-L17 HydrophobicContact CD2-CD2 4.31Å; Y12-L17 HydrophobicContact CD2-CG 4.31Å; Y12-L17 HydrophobicContact CE2-CD1 3.85Å; Y12-L17 HydrophobicContact CE2-CD2 4.16Å; Y12-L17 HydrophobicContact CE2-CG 3.97Å; G15-L17 PolarHBondContact O-N 3.16Å; G15-L17 VanDerWaalsContact O-N 3.14Å; L17-T20 WeakPolarHBondContact O-CA 3.4Å; L17-T20 VanDerWaalsContact O-CB 3.27Å; L17-T20 WeakPolarHBondContact O-CB 3.19Å; L17-T20 PolarHBondContact O-N 3.44Å; L17-I21 CarbonylContact C-O 3.22Å; L17-I21 HydrophobicContact CB-CB 4.17Å; L17-I21 HydrophobicContact CD1-CD1 4.12Å; L17-I21 PolarHBondContact O-N 2.9Å; L17-M26 HydrophobicContact CD1-CE 3.96Å; L17-M26 HydrophobicContact CD1-SD 3.91Å; L17-L84 HydrophobicContact CD1-CB 3.86Å; L17-L84 HydrophobicContact CD1-CD1 3.69Å; L17-L84 HydrophobicContact CD1-CG 4.37Å; L17-L84 HydrophobicContact CD2-CB 4.47Å; L17-V186 HydrophobicContact CB-CG1 4.31Å; L17-V186 HydrophobicContact CD2-CB 4.22Å; L17-V186 HydrophobicContact CD2-CG1 4.29Å
18E98.3Very high98.2Very high111 Ų11151.1 Ų51.152%0.51928%0.284SS..THydrogen-bonded Turntrans-67.7145175.9-71.4-172.1166.400111.7G15 I21 A23G15-E18 PolarHBondContact O-N 3.32Å; E18-I21 WeakPolarHBondContact CG-O 3.35Å; E18-I21 PolarHBondContact N-O 3.23Å; E18-A23 PolarHBondContact OE1-N 3.29Å
19P97.2Very high98.3Very high109 Ų10949.6 Ų49.671%0.70827%0.274SS*.THydrogen-bonded Turncis-86.86.34.436.8-37000114.1Q171P19-Q171 PolarHBondContact O-NE2 3.42Å
20T98Very high98.3Very high7 Ų743.3 Ų43.34%0.04324%0.24CC..THydrogen-bonded Turntrans-73.3-39.9-174.5-54.80000113.1L17 Y172 A182 Q185 V186L17-T20 WeakPolarHBondContact O-CA 3.4Å; L17-T20 VanDerWaalsContact O-CB 3.27Å; L17-T20 WeakPolarHBondContact O-CB 3.19Å; L17-T20 PolarHBondContact O-N 3.44Å; T20-Y172 PolarHBondContact O-OH 3.1Å; T20-A182 VanDerWaalsContact CG2-C 3.41Å; T20-A182 HydrophobicContact CG2-CB 3.97Å; T20-A182 WeakPolarHBondContact CG2-O 3.47Å; T20-Q185 PolarHBondContact OG1-OE1 2.6Å; T20-V186 HydrophobicContact CG2-CB 4.5Å; T20-V186 HydrophobicContact CG2-CG1 3.98Å; T20-V186 HydrophobicContact CG2-CG2 3.75Å
21I98.5Very high98.3Very high2 Ų246.4 Ų46.41%0.0125%0.253CS..SBendtrans-136.7126.4171.9-49.9179.9000107.7L17 E18 I25 M26 L84 Y179 I183 V186L17-I21 CarbonylContact C-O 3.22Å; L17-I21 HydrophobicContact CB-CB 4.17Å; L17-I21 HydrophobicContact CD1-CD1 4.12Å; L17-I21 PolarHBondContact O-N 2.9Å; E18-I21 WeakPolarHBondContact CG-O 3.35Å; E18-I21 PolarHBondContact N-O 3.23Å; I21-I25 HydrophobicContact CG2-CB 4.02Å; I21-I25 HydrophobicContact CG2-CG2 3.74Å; I21-M26 HydrophobicContact CB-CG 4.45Å; I21-M26 HydrophobicContact CB-SD 4.31Å; I21-M26 HydrophobicContact CD1-SD 4.43Å; I21-M26 HydrophobicContact CG2-CG 3.91Å; I21-M26 HydrophobicContact CG2-SD 3.71Å; I21-L84 HydrophobicContact CD1-CD1 3.97Å; I21-Y179 HydrophobicContact CD1-CE2 4.47Å; I21-I183 HydrophobicContact CD1-CD1 4.38Å; I21-I183 HydrophobicContact CD1-CG1 4.27Å; I21-V186 HydrophobicContact CD1-CG2 4.47Å
22S98.5Very high98.4Very high19 Ų1948.9 Ų48.913%0.13326%0.257CS..  trans-67.4149.1-176.2730000112.6E24 I25 M26S22-E24 PolarHBondContact O-N 3.45Å; S22-I25 PolarHBondContact O-N 2.94Å; S22-I25 VanDerWaalsContact O-N 3.15Å; S22-I25 WeakPolarHBondContact OG-CG1 3.33Å; S22-I25 PolarHBondContact OG-N 3.12Å; S22-M26 WeakPolarHBondContact O-CG 3.39Å; S22-M26 PolarHBondContact O-N 3.38Å
23A98.5Very high98.5Very high21 Ų2150.6 Ų50.617%0.17427%0.265CS..Hα-helixtrans-57.2-36174.900000112.2Y14 E18 M26 Q27Y14-A23 WeakPolarHBondContact O-CA 3.48Å; E18-A23 PolarHBondContact OE1-N 3.29Å; A23-M26 PolarHBondContact O-N 2.94Å; A23-Q27 WeakPolarHBondContact O-CB 3.38Å; A23-Q27 VanDerWaalsContact O-CG 3.32Å; A23-Q27 WeakPolarHBondContact O-CG 3.23Å; A23-Q27 PolarHBondContact O-N 3.45Å
24E98.7Very high98.5Very high115 Ų11545 Ų4554%0.53724%0.236SC..Hα-helixtrans-60.7-47.1176.9-175.9-178.9-159.700111.7S22 Q27 L28 L170S22-E24 PolarHBondContact O-N 3.45Å; E24-Q27 PolarHBondContact O-N 2.93Å; E24-L28 HydrophobicContact CG-CD1 4.13Å; E24-L28 WeakPolarHBondContact O-CG 3.41Å; E24-L28 PolarHBondContact O-N 3.15Å; E24-L28 VanDerWaalsContact O-N 3.07Å; E24-L170 HydrophobicContact CG-CD1 4.06Å
25I98.8Very high98.5Very high1 Ų143.7 Ų43.71%0.00524%0.235CC..Hα-helixtrans-60-51.7175.1-71.6169.6000109.1I21 S22 Q27 L28 H29 A167 L170 Q171I21-I25 HydrophobicContact CG2-CB 4.02Å; I21-I25 HydrophobicContact CG2-CG2 3.74Å; S22-I25 PolarHBondContact O-N 2.94Å; S22-I25 VanDerWaalsContact O-N 3.15Å; S22-I25 WeakPolarHBondContact OG-CG1 3.33Å; S22-I25 PolarHBondContact OG-N 3.12Å; I25-Q27 VanDerWaalsContact C-N 3.31Å; I25-Q27 PolarHBondContact O-N 2.88Å; I25-L28 PolarHBondContact O-N 3.07Å; I25-H29 HydrophobicContact CG2-CB 4.48Å; I25-H29 WeakPolarHBondContact O-CB 3.33Å; I25-H29 PolarHBondContact O-N 3.48Å; I25-A167 WeakPolarHBondContact CG2-O 3.44Å; I25-L170 HydrophobicContact CD1-CB 4.26Å; I25-L170 HydrophobicContact CG1-CB 3.92Å; I25-L170 HydrophobicContact CG1-CD1 4.35Å; I25-Q171 HydrophobicContact CD1-CB 3.63Å
26M98.7Very high98.5Very high1 Ų145.2 Ų45.21%0.00525%0.245CC..Hα-helixtrans-59.5-40.3-176.6-66.9-57.8-58.400112.6L10 Y12 Y14 L17 I21 S22 A23 H30 W81L10-M26 HydrophobicContact CD1-CE 4.17Å; Y12-M26 HydrophobicContact CE2-CE 3.85Å; Y14-M26 HydrophobicContact CD1-CB 3.97Å; Y14-M26 WeakPolarHBondContact O-CB 3.38Å; Y14-M26 WeakPolarHBondContact O-CG 3.31Å; L17-M26 HydrophobicContact CD1-CE 3.96Å; L17-M26 HydrophobicContact CD1-SD 3.91Å; I21-M26 HydrophobicContact CB-CG 4.45Å; I21-M26 HydrophobicContact CB-SD 4.31Å; I21-M26 HydrophobicContact CD1-SD 4.43Å; I21-M26 HydrophobicContact CG2-CG 3.91Å; I21-M26 HydrophobicContact CG2-SD 3.71Å; S22-M26 WeakPolarHBondContact O-CG 3.39Å; S22-M26 PolarHBondContact O-N 3.38Å; A23-M26 PolarHBondContact O-N 2.94Å; M26-H30 WeakPolarHBondContact O-CB 3.2Å; M26-H30 PolarHBondContact O-N 3.43Å; M26-W81 HydrophobicContact CE-CE3 3.74Å; M26-W81 HydrophobicContact CE-CZ3 3.49Å; M26-W81 VanDerWaalsContact CE-CZ3 3.49Å; M26-W81 HydrophobicContact SD-CZ3 4.17Å
27Q98.6Very high98.5Very high89 Ų8944.3 Ų44.342%0.41624%0.235SC..Hα-helixtrans-64.6-50176.4-75.4177.210.700112.1Y14 A23 E24 I25 Q31Y14-Q27 HydrophobicContact CD1-CB 4.24Å; Y14-Q27 HydrophobicContact CD1-CG 3.62Å; Y14-Q27 HydrophobicContact CD2-CG 3.7Å; Y14-Q27 HydrophobicContact CE1-CG 4.15Å; Y14-Q27 HydrophobicContact CE2-CG 4.23Å; Y14-Q27 HydrophobicContact CG-CB 4.44Å; Y14-Q27 HydrophobicContact CG-CG 3.37Å; A23-Q27 WeakPolarHBondContact O-CB 3.38Å; A23-Q27 VanDerWaalsContact O-CG 3.32Å; A23-Q27 WeakPolarHBondContact O-CG 3.23Å; A23-Q27 PolarHBondContact O-N 3.45Å; E24-Q27 PolarHBondContact O-N 2.93Å; I25-Q27 VanDerWaalsContact C-N 3.31Å; I25-Q27 PolarHBondContact O-N 2.88Å; Q27-Q31 WeakPolarHBondContact O-CB 3.45Å; Q27-Q31 WeakPolarHBondContact O-CG 3.32Å; Q27-Q31 PolarHBondContact O-N 3.26Å
28L98.7Very high98.5Very high67 Ų6744.4 Ų44.435%0.35124%0.236SC..Hα-helixtrans-66.7-45.1-179.3-70.5171.6000111.5E24 I25 H30 K32 H33 L170E24-L28 HydrophobicContact CG-CD1 4.13Å; E24-L28 WeakPolarHBondContact O-CG 3.41Å; E24-L28 PolarHBondContact O-N 3.15Å; E24-L28 VanDerWaalsContact O-N 3.07Å; I25-L28 PolarHBondContact O-N 3.07Å; L28-H30 PolarHBondContact O-N 2.92Å; L28-K32 HydrophobicContact CD2-CG 4Å; L28-K32 WeakPolarHBondContact O-CA 3.32Å; L28-K32 WeakPolarHBondContact O-CB 3.22Å; L28-K32 PolarHBondContact O-N 2.97Å; L28-H33 PolarHBondContact O-CD2 3.41Å; L28-H33 PolarHBondContact O-N 3.41Å; L28-H33 VanDerWaalsContact O-N 3.12Å; L28-L170 HydrophobicContact CD1-CD1 3.63Å
29H98.8Very high98.5Very high3 Ų343.8 Ų43.81%0.01424%0.236CC..Iπ-helixtrans-63.1-42.2-177.2-161.1176.8000111.3I25 H33 H34 H77 F80 W81 D162 H166I25-H29 HydrophobicContact CG2-CB 4.48Å; I25-H29 WeakPolarHBondContact O-CB 3.33Å; I25-H29 PolarHBondContact O-N 3.48Å; H29-H33 WeakPolarHBondContact O-CB 3.41Å; H29-H33 PolarHBondContact O-N 2.95Å; H29-H34 PolarHBondContact O-N 2.86Å; H29-H77 AromaticContact CD2-CD2 3.51Å; H29-H77 AromaticContact CD2-NE2 3.37Å; H29-H77 PolarHBondContact CD2-NE2 3.17Å; H29-H77 AromaticContact NE2-CD2 3.17Å; H29-H77 PolarHBondContact NE2-CD2 3.25Å; H29-H77 AromaticContact NE2-NE2 2.89Å; H29-H77 PolarHBondContact NE2-NE2 3.39Å; H29-F80 AromaticContact CE1-CE1 3.77Å; H29-W81 HydrophobicContact CB-CH2 3.85Å; H29-W81 AromaticContact CD2-CH2 3.76Å; H29-W81 AromaticContact CE1-CH2 4Å; H29-W81 AromaticContact CG-CH2 3.49Å; H29-W81 VanDerWaalsContact CG-CH2 3.49Å; H29-W81 AromaticContact ND1-CH2 3.66Å; H29-D162 IonicContact CE1-OD2 2.87Å; H29-D162 PolarHBondContact CE1-OD2 2.96Å; H29-D162 IonicContact NE2-OD2 3.61Å; H29-D162 PolarHBondContact NE2-OD2 3.04Å; H29-H166 AromaticContact CD2-CD2 3.59Å; H29-H166 AromaticContact CD2-NE2 3.66Å; H29-H166 AromaticContact CE1-CD2 3.89Å; H29-H166 AromaticContact CE1-NE2 3.95Å; H29-H166 AromaticContact NE2-CD2 3.46Å; H29-H166 PolarHBondContact NE2-CD2 3.32Å; H29-H166 AromaticContact NE2-NE2 3.23Å; H29-H166 PolarHBondContact NE2-NE2 3.06Å
30H98.7Very high98.6Very high13 Ų1339 Ų396%0.0621%0.207CC..Iπ-helixtrans-76.7-56.8176-177.6-110.3000113V7 P8 L10 Y14 M26 L28 K32 H34 A35 W81V7-H30 VanDerWaalsContact CG1-NE2 3.31Å; V7-H30 WeakPolarHBondContact CG1-NE2 3.41Å; P8-H30 PolarHBondContact O-NE2 3.1Å; L10-H30 HydrophobicContact CD1-CB 4.27Å; L10-H30 HydrophobicContact CG-CB 4.46Å; Y14-H30 HydrophobicContact CE1-CB 3.87Å; Y14-H30 AromaticContact CE1-ND1 3.79Å; Y14-H30 AromaticContact CZ-ND1 3.8Å; Y14-H30 PolarHBondContact OH-ND1 3.19Å; M26-H30 WeakPolarHBondContact O-CB 3.2Å; M26-H30 PolarHBondContact O-N 3.43Å; L28-H30 PolarHBondContact O-N 2.92Å; H30-K32 PolarHBondContact O-N 3.48Å; H30-H34 WeakPolarHBondContact O-CB 3.31Å; H30-A35 PolarHBondContact O-N 3.39Å; H30-W81 HydrophobicContact CB-CH2 4.5Å; H30-W81 HydrophobicContact CB-CZ2 4.23Å; H30-W81 AromaticContact CD2-NE1 3.85Å
31Q98.3Very high98.6Very high90 Ų9039.2 Ų39.242%0.42121%0.207SC..Iπ-helixtrans-79.2-20.1-169.3-59.1-177.13.400113.8Y14 Q27 A35Y14-Q31 HydrophobicContact CE1-CG 4.43Å; Y14-Q31 VanDerWaalsContact CZ-NE2 3.31Å; Y14-Q31 VanDerWaalsContact OH-CG 3.31Å; Y14-Q31 WeakPolarHBondContact OH-CG 3.33Å; Y14-Q31 PolarHBondContact OH-NE2 3.47Å; Q27-Q31 WeakPolarHBondContact O-CB 3.45Å; Q27-Q31 WeakPolarHBondContact O-CG 3.32Å; Q27-Q31 PolarHBondContact O-N 3.26Å; Q31-A35 VanDerWaalsContact O-CB 3.23Å; Q31-A35 WeakPolarHBondContact O-CB 3.44Å
32K98.6Very high98.6Very high130 Ų13040 Ų4057%0.56521%0.212SC*.Iπ-helixtrans-111.5-60.5-179.4-50.4-60.7179.6-172.50111.3L28 H30 A36L28-K32 HydrophobicContact CD2-CG 4Å; L28-K32 WeakPolarHBondContact O-CA 3.32Å; L28-K32 WeakPolarHBondContact O-CB 3.22Å; L28-K32 PolarHBondContact O-N 2.97Å; H30-K32 PolarHBondContact O-N 3.48Å; K32-A36 WeakPolarHBondContact O-CB 3.47Å; K32-A36 PolarHBondContact O-N 3.14Å
33H98.7Very high98.5Very high63 Ų6344.4 Ų44.429%0.29223%0.231SC..Iπ-helixtrans-68.5-52.6-173.9-65.8-89.3000111.9L28 H29 A35 A36 Y37 H166L28-H33 PolarHBondContact O-CD2 3.41Å; L28-H33 PolarHBondContact O-N 3.41Å; L28-H33 VanDerWaalsContact O-N 3.12Å; H29-H33 WeakPolarHBondContact O-CB 3.41Å; H29-H33 PolarHBondContact O-N 2.95Å; H33-A35 VanDerWaalsContact C-N 3.33Å; H33-A35 PolarHBondContact O-N 3.5Å; H33-A36 WeakPolarHBondContact O-CB 3.49Å; H33-A36 PolarHBondContact O-N 3.06Å; H33-A36 VanDerWaalsContact O-N 3.16Å; H33-Y37 HydrophobicContact CB-CE2 4.43Å; H33-Y37 WeakPolarHBondContact O-CD2 3.45Å; H33-Y37 WeakPolarHBondContact O-CE2 3.4Å; H33-Y37 PolarHBondContact O-N 2.82Å; H33-H166 AromaticContact CE1-CG 3.68Å; H33-H166 AromaticContact CE1-ND1 3.75Å; H33-H166 AromaticContact ND1-CG 3.74Å; H33-H166 AromaticContact ND1-ND1 3.53Å
34H98.8Very high98.5Very high0 Ų043.6 Ų43.60%023%0.225CC..Iπ-helixtrans-62.9-40.6177.7-166.1-171.2000112.3V7 P8 H29 H30 A36 Y37 V38 H74 H77 S78 W81V7-H34 HydrophobicContact CG1-CB 4.37Å; P8-H34 WeakPolarHBondContact CD-CE1 3.42Å; H29-H34 PolarHBondContact O-N 2.86Å; H30-H34 WeakPolarHBondContact O-CB 3.31Å; H34-A36 VanDerWaalsContact C-N 3.3Å; H34-A36 PolarHBondContact O-N 3Å; H34-Y37 PolarHBondContact O-N 3.22Å; H34-V38 PolarHBondContact O-N 3.26Å; H34-H74 AromaticContact CD2-ND1 3.84Å; H34-H74 AromaticContact CE1-ND1 3.76Å; H34-H74 AromaticContact NE2-CE1 3.79Å; H34-H74 AromaticContact NE2-CG 3.9Å; H34-H74 AromaticContact NE2-ND1 2.89Å; H34-H74 PolarHBondContact NE2-ND1 3.37Å; H34-H74 PolarHBondContact NE2-O 3.39Å; H34-H77 HydrophobicContact CB-CB 4.31Å; H34-S78 PolarHBondContact CE1-OG 2.91Å; H34-S78 PolarHBondContact NE2-OG 2.88Å; H34-W81 HydrophobicContact CB-CZ2 4.37Å; H34-W81 AromaticContact CE1-CD1 4Å; H34-W81 AromaticContact CE1-NE1 3.53Å; H34-W81 AromaticContact CG-NE1 3.9Å; H34-W81 AromaticContact ND1-CD1 3.79Å; H34-W81 AromaticContact ND1-NE1 2.97Å; H34-W81 PolarHBondContact ND1-NE1 3.17Å
35A98.5Very high98.4Very high21 Ų2141 Ų4117%0.17421%0.212CC..Hα-helixtrans-58.5-38.9174.100000113.1V7 H30 Q31 H33 V38 N39V7-A35 HydrophobicContact CG2-CB 3.92Å; H30-A35 PolarHBondContact O-N 3.39Å; Q31-A35 VanDerWaalsContact O-CB 3.23Å; Q31-A35 WeakPolarHBondContact O-CB 3.44Å; H33-A35 VanDerWaalsContact C-N 3.33Å; H33-A35 PolarHBondContact O-N 3.5Å; A35-V38 PolarHBondContact O-N 2.91Å; A35-N39 WeakPolarHBondContact O-CB 3.19Å; A35-N39 VanDerWaalsContact O-CG 3.26Å; A35-N39 PolarHBondContact O-N 3.43Å; A35-N39 PolarHBondContact O-ND2 3.42Å
36A98.7Very high98.3Very high54 Ų5446.6 Ų46.645%0.44624%0.239SC..Hα-helixtrans-63.4-42.7175.700000111.9K32 H33 H34 N39 G40K32-A36 WeakPolarHBondContact O-CB 3.47Å; K32-A36 PolarHBondContact O-N 3.14Å; H33-A36 WeakPolarHBondContact O-CB 3.49Å; H33-A36 PolarHBondContact O-N 3.06Å; H33-A36 VanDerWaalsContact O-N 3.16Å; H34-A36 VanDerWaalsContact C-N 3.3Å; H34-A36 PolarHBondContact O-N 3Å; A36-N39 PolarHBondContact O-N 3.47Å; A36-G40 PolarHBondContact O-N 3.41Å
37Y98.7Very high98.2Very high13 Ų1352.3 Ų52.35%0.05126%0.263CS..Hα-helixtrans-63.2-44.2175.9-59.7-49.3000112H33 H34 N39 G40 L41 F69 N70 H77 Q146H33-Y37 HydrophobicContact CB-CE2 4.43Å; H33-Y37 WeakPolarHBondContact O-CD2 3.45Å; H33-Y37 WeakPolarHBondContact O-CE2 3.4Å; H33-Y37 PolarHBondContact O-N 2.82Å; H34-Y37 PolarHBondContact O-N 3.22Å; Y37-N39 PolarHBondContact O-N 3.37Å; Y37-G40 PolarHBondContact O-N 2.86Å; Y37-L41 WeakPolarHBondContact O-CB 3.32Å; Y37-L41 PolarHBondContact O-N 3.43Å; Y37-F69 HydrophobicContact CD1-CE1 4.15Å; Y37-F69 HydrophobicContact CE1-CD1 4.43Å; Y37-F69 AromaticContact CE1-CE1 3.68Å; Y37-F69 HydrophobicContact CE1-CE1 3.68Å; Y37-F69 AromaticContact CE1-CZ 3.83Å; Y37-F69 HydrophobicContact CE1-CZ 3.83Å; Y37-N70 WeakPolarHBondContact O-CB 3.33Å; Y37-H77 AromaticContact CD2-CE1 3.75Å; Y37-H77 AromaticContact CD2-ND1 3.78Å; Y37-H77 AromaticContact CE2-CE1 3.24Å; Y37-H77 WeakPolarHBondContact CE2-CE1 3.19Å; Y37-H77 AromaticContact CE2-ND1 3.76Å; Y37-H77 AromaticContact CE2-NE2 3.88Å; Y37-Q146 HydrophobicContact CE1-CG 3.8Å; Y37-Q146 VanDerWaalsContact CZ-NE2 3.34Å; Y37-Q146 PolarHBondContact OH-NE2 2.88Å
38V98.6Very high98.2Very high4 Ų450.1 Ų50.12%0.02426%0.255CS..Hα-helixtrans-61.8-45.5177.3169.80000111.5H5 V7 H34 A35 L41 N42 H74H5-V38 HydrophobicContact CB-CG1 4.07Å; H5-V38 WeakPolarHBondContact O-CG1 3.34Å; V7-V38 HydrophobicContact CG2-CB 4.05Å; V7-V38 HydrophobicContact CG2-CG1 4.39Å; V7-V38 HydrophobicContact CG2-CG2 3.85Å; H34-V38 PolarHBondContact O-N 3.26Å; A35-V38 PolarHBondContact O-N 2.91Å; V38-L41 PolarHBondContact O-N 3.16Å; V38-N42 PolarHBondContact O-N 2.94Å; V38-N42 PolarHBondContact O-ND2 3.17Å; V38-H74 HydrophobicContact CG2-CB 4.37Å; V38-H74 WeakPolarHBondContact CG2-ND1 3.31Å
39N98.4Very high98.1Very high97 Ų9752.2 Ų52.252%0.51926%0.263SS..Hα-helixtrans-64-44.1177-71.7-25.1000111.8A35 A36 Y37 L41 N42 M43A35-N39 WeakPolarHBondContact O-CB 3.19Å; A35-N39 VanDerWaalsContact O-CG 3.26Å; A35-N39 PolarHBondContact O-N 3.43Å; A35-N39 PolarHBondContact O-ND2 3.42Å; A36-N39 PolarHBondContact O-N 3.47Å; Y37-N39 PolarHBondContact O-N 3.37Å; N39-L41 VanDerWaalsContact C-N 3.33Å; N39-L41 PolarHBondContact O-N 2.96Å; N39-N42 PolarHBondContact O-N 3.48Å; N39-M43 WeakPolarHBondContact O-CG 3.41Å; N39-M43 PolarHBondContact O-N 2.95Å
40G98.4Very high98Very high10 Ų1057 Ų5710%0.10329%0.285CS..Hα-helixtrans-61-40.2176.700000112.8A36 Y37 A44A36-G40 PolarHBondContact O-N 3.41Å; Y37-G40 PolarHBondContact O-N 2.86Å; G40-A44 WeakPolarHBondContact O-CB 3.45Å; G40-A44 PolarHBondContact O-N 3.49Å
41L98.2Very high98Very high10 Ų1056.6 Ų56.65%0.05228%0.284CS..Hα-helixtrans-64.8-50.7177.2177.660000110.9H5 Y37 V38 N39 M43 A44 E45 L67 N70 H74H5-L41 HydrophobicContact CB-CD2 4.27Å; H5-L41 VanDerWaalsContact CD2-CD2 3.41Å; H5-L41 WeakPolarHBondContact CD2-CD2 3.42Å; Y37-L41 WeakPolarHBondContact O-CB 3.32Å; Y37-L41 PolarHBondContact O-N 3.43Å; V38-L41 PolarHBondContact O-N 3.16Å; N39-L41 VanDerWaalsContact C-N 3.33Å; N39-L41 PolarHBondContact O-N 2.96Å; L41-M43 VanDerWaalsContact C-N 3.3Å; L41-M43 PolarHBondContact O-N 3.34Å; L41-A44 PolarHBondContact O-N 3.13Å; L41-A44 VanDerWaalsContact O-N 3.1Å; L41-E45 HydrophobicContact CD1-CG 4.14Å; L41-E45 WeakPolarHBondContact O-CG 3.35Å; L41-E45 PolarHBondContact O-N 2.83Å; L41-L67 HydrophobicContact CD1-CD2 4.21Å; L41-N70 HydrophobicContact CB-CB 4.01Å; L41-H74 HydrophobicContact CD2-CB 4.29Å
42N98.2Very high97.9Very high20 Ų2056.2 Ų56.211%0.10728%0.284CS..Hα-helixtrans-56.1-43.7177.7-77-40.9000111.9H5 V38 N39 E46H5-N42 PolarHBondContact CD2-OD1 3.34Å; H5-N42 PolarHBondContact N-OD1 2.86Å; H5-N42 PolarHBondContact O-ND2 3.02Å; V38-N42 PolarHBondContact O-N 2.94Å; V38-N42 PolarHBondContact O-ND2 3.17Å; N39-N42 PolarHBondContact O-N 3.48Å; N42-E46 PolarHBondContact O-N 2.71Å; N42-E46 VanDerWaalsContact O-N 3.1Å
43M97.8Very high97.9Very high110 Ų11054.1 Ų54.154%0.54229%0.291SS..Hα-helixtrans-66.5-39.2176.6-71.6-173.8-6700112.7N39 L41 K47N39-M43 WeakPolarHBondContact O-CG 3.41Å; N39-M43 PolarHBondContact O-N 2.95Å; L41-M43 VanDerWaalsContact C-N 3.3Å; L41-M43 PolarHBondContact O-N 3.34Å; M43-K47 WeakPolarHBondContact O-CG 3.4Å; M43-K47 PolarHBondContact O-N 3.35Å; M43-K47 VanDerWaalsContact O-N 3.16Å
44A97.5Very high97.9Very high4 Ų457.6 Ų57.63%0.03331%0.305CS..Hα-helixtrans-67.6-39.4179.200000111.6G40 L41 L48 L66 L67G40-A44 WeakPolarHBondContact O-CB 3.45Å; G40-A44 PolarHBondContact O-N 3.49Å; L41-A44 PolarHBondContact O-N 3.13Å; L41-A44 VanDerWaalsContact O-N 3.1Å; A44-L48 WeakPolarHBondContact O-CB 3.39Å; A44-L48 PolarHBondContact O-N 2.91Å; A44-L66 HydrophobicContact CB-CB 4.18Å; A44-L67 HydrophobicContact CB-CD2 3.69Å; A44-L67 HydrophobicContact CB-CG 4.06Å
45E97Very high97.8Very high60 Ų6063.3 Ų63.328%0.2834%0.336SS..Hα-helixtrans-66.8-42.6176.2-72.8-177.5161.900112.5H5 L41 L48 Q49 L67H5-E45 IonicContact CD2-OE1 3.22Å; H5-E45 IonicContact CD2-OE2 3.77Å; H5-E45 PolarHBondContact CD2-OE2 3.47Å; H5-E45 VanDerWaalsContact CD2-OE2 3.22Å; H5-E45 IonicContact CE1-OE1 2.82Å; H5-E45 IonicContact NE2-OE1 2.95Å; H5-E45 PolarHBondContact NE2-OE1 3.35Å; H5-E45 IonicContact NE2-OE2 2.58Å; H5-E45 PolarHBondContact NE2-OE2 2.96Å; L41-E45 HydrophobicContact CD1-CG 4.14Å; L41-E45 WeakPolarHBondContact O-CG 3.35Å; L41-E45 PolarHBondContact O-N 2.83Å; E45-L48 PolarHBondContact O-N 3.36Å; E45-Q49 WeakPolarHBondContact O-CG 3.34Å; E45-Q49 PolarHBondContact O-N 3.32Å; E45-L67 HydrophobicContact CG-CD2 3.88Å
46E96.8Very high97.8Very high119 Ų11965.2 Ų65.256%0.55634%0.343SS*.Hα-helixtrans-59.8-47.7176.5-176.1172.4-178.700111.2N42 L48 Q49 E50N42-E46 PolarHBondContact O-N 2.71Å; N42-E46 VanDerWaalsContact O-N 3.1Å; E46-L48 VanDerWaalsContact C-N 3.33Å; E46-L48 PolarHBondContact O-N 3.32Å; E46-Q49 PolarHBondContact O-N 2.89Å; E46-E50 PolarHBondContact O-N 2.82Å
47K97.3Very high97.8Very high121 Ų12168.4 Ų68.453%0.52635%0.347SS..Hα-helixtrans-64.3-36.6175.8-71.1-179.6177.4-175.70112.7M43 E50 A51 L63M43-K47 WeakPolarHBondContact O-CG 3.4Å; M43-K47 PolarHBondContact O-N 3.35Å; M43-K47 VanDerWaalsContact O-N 3.16Å; K47-E50 PolarHBondContact O-N 3.08Å; K47-A51 WeakPolarHBondContact O-CB 3.43Å; K47-A51 PolarHBondContact O-N 2.91Å; K47-L63 HydrophobicContact CB-CD1 3.75Å; K47-L63 HydrophobicContact CB-CD2 4.11Å; K47-L63 HydrophobicContact CD-CD2 4.32Å
48L97.2Very high97.8Very high44 Ų4471.5 Ų71.523%0.2338%0.376CS..Hα-helixtrans-65.3-45.1177.2178.666.9000110.4A44 E45 E46 E50 A51 L52 A60 L63 L67A44-L48 WeakPolarHBondContact O-CB 3.39Å; A44-L48 PolarHBondContact O-N 2.91Å; E45-L48 PolarHBondContact O-N 3.36Å; E46-L48 VanDerWaalsContact C-N 3.33Å; E46-L48 PolarHBondContact O-N 3.32Å; L48-E50 VanDerWaalsContact C-N 3.32Å; L48-E50 PolarHBondContact O-N 2.98Å; L48-A51 PolarHBondContact O-N 3.16Å; L48-L52 HydrophobicContact CD1-CD1 4.18Å; L48-L52 HydrophobicContact CD1-CG 4.16Å; L48-L52 HydrophobicContact CD2-CD1 4.49Å; L48-L52 HydrophobicContact CG-CD1 4Å; L48-L52 HydrophobicContact CG-CG 4.37Å; L48-L52 WeakPolarHBondContact O-CB 3.47Å; L48-L52 VanDerWaalsContact O-CG 3.31Å; L48-L52 WeakPolarHBondContact O-CG 3.18Å; L48-L52 PolarHBondContact O-N 3.18Å; L48-A60 HydrophobicContact CD1-CB 3.71Å; L48-L63 HydrophobicContact CB-CD1 4.1Å; L48-L67 HydrophobicContact CD2-CD1 3.7Å
49Q96.5Very high97.7Very high111 Ų11174.4 Ų74.452%0.51939%0.393SS..Hα-helixtrans-59.9-43.6177.2-73.1173.65.800111.3E45 E46 A53E45-Q49 WeakPolarHBondContact O-CG 3.34Å; E45-Q49 PolarHBondContact O-N 3.32Å; E46-Q49 PolarHBondContact O-N 2.89Å; Q49-A53 VanDerWaalsContact O-CB 3.32Å; Q49-A53 WeakPolarHBondContact O-CB 3.46Å; Q49-A53 PolarHBondContact O-N 3.13Å
50E97.3Very high97.7Very high102 Ų10270.2 Ų70.248%0.47737%0.372SS..Hα-helixtrans-62.2-46.2175.8-173.2-177.117900112.2E46 K47 L48 A53 K54E46-E50 PolarHBondContact O-N 2.82Å; K47-E50 PolarHBondContact O-N 3.08Å; L48-E50 VanDerWaalsContact C-N 3.32Å; L48-E50 PolarHBondContact O-N 2.98Å; E50-A53 PolarHBondContact O-N 3.49Å; E50-K54 HydrophobicContact CG-CD 4.31Å; E50-K54 WeakPolarHBondContact O-CG 3.24Å; E50-K54 PolarHBondContact O-N 3.38Å; E50-K54 VanDerWaalsContact O-N 3.12Å; E50-K54 WeakPolarHBondContact OE1-CE 3.24Å; E50-K54 IonicContact OE1-NZ 3.87Å; E50-K54 PolarHBondContact OE1-NZ 3.03Å
51A98Very high97.7Very high5 Ų574.8 Ų74.84%0.04139%0.393CS..Hα-helixtrans-61.4-46179.200000111.7K47 L48 K54 N55 D56 T59 A60K47-A51 WeakPolarHBondContact O-CB 3.43Å; K47-A51 PolarHBondContact O-N 2.91Å; L48-A51 PolarHBondContact O-N 3.16Å; A51-K54 CarbonylContact O-C 3.49Å; A51-K54 PolarHBondContact O-N 3.01Å; A51-N55 PolarHBondContact O-N 3.5Å; A51-D56 PolarHBondContact O-N 3.46Å; A51-T59 HydrophobicContact CB-CG2 3.88Å; A51-A60 HydrophobicContact CB-CB 4.18Å
52L97.5Very high97.7Very high83 Ų8376.8 Ų76.844%0.43542%0.416SS..Hα-helixtrans-64.4-41177.4-68.1176.4000112L48 K54 N55 F57 A60L48-L52 HydrophobicContact CD1-CD1 4.18Å; L48-L52 HydrophobicContact CD1-CG 4.16Å; L48-L52 HydrophobicContact CD2-CD1 4.49Å; L48-L52 HydrophobicContact CG-CD1 4Å; L48-L52 HydrophobicContact CG-CG 4.37Å; L48-L52 WeakPolarHBondContact O-CB 3.47Å; L48-L52 VanDerWaalsContact O-CG 3.31Å; L48-L52 WeakPolarHBondContact O-CG 3.18Å; L48-L52 PolarHBondContact O-N 3.18Å; L52-K54 PolarHBondContact O-N 2.86Å; L52-N55 PolarHBondContact O-N 3.12Å; L52-F57 HydrophobicContact CD2-CE1 4.35Å; L52-A60 HydrophobicContact CD2-CB 3.97Å; L52-A60 HydrophobicContact CG-CB 4.46Å
53A97.8Very high97.7Very high85 Ų8576.5 Ų76.570%0.70242%0.415SS*.Hα-helixtrans-61.6-29176.200000112.8Q49 E50Q49-A53 VanDerWaalsContact O-CB 3.32Å; Q49-A53 WeakPolarHBondContact O-CB 3.46Å; Q49-A53 PolarHBondContact O-N 3.13Å; E50-A53 PolarHBondContact O-N 3.49Å
54K98.1Very high97.7Very high137 Ų13777.1 Ų77.160%0.59642%0.416SS*.THydrogen-bonded Turntrans-901176.3-67.3176.6-174.6174.50114E50 A51 L52 D56E50-K54 HydrophobicContact CG-CD 4.31Å; E50-K54 WeakPolarHBondContact O-CG 3.24Å; E50-K54 PolarHBondContact O-N 3.38Å; E50-K54 VanDerWaalsContact O-N 3.12Å; E50-K54 WeakPolarHBondContact OE1-CE 3.24Å; E50-K54 IonicContact OE1-NZ 3.87Å; E50-K54 PolarHBondContact OE1-NZ 3.03Å; A51-K54 CarbonylContact O-C 3.49Å; A51-K54 PolarHBondContact O-N 3.01Å; L52-K54 PolarHBondContact O-N 2.86Å; K54-D56 HydrophobicContact CB-CB 4.45Å; K54-D56 PolarHBondContact O-N 2.95Å
55N98Very high97.7Very high119 Ų11981.1 Ų81.164%0.63644%0.442SS*.THydrogen-bonded Turntrans54.227.2-168.3-61.3-65.5000113.6A51 L52 F57A51-N55 PolarHBondContact O-N 3.5Å; L52-N55 PolarHBondContact O-N 3.12Å; N55-F57 HydrophobicContact CB-CE2 4.31Å; N55-F57 WeakPolarHBondContact O-CD2 3.23Å; N55-F57 PolarHBondContact O-N 2.97Å; N55-F57 VanDerWaalsContact O-N 3.15Å
56D98.3Very high97.7Very high62 Ų6282.4 Ų82.433%0.33245%0.45SS..  trans-85.880.8175.2-178.71.9000110.2A51 K54 A58 T59 A60A51-D56 PolarHBondContact O-N 3.46Å; K54-D56 HydrophobicContact CB-CB 4.45Å; K54-D56 PolarHBondContact O-N 2.95Å; D56-A58 VanDerWaalsContact C-N 3.26Å; D56-A58 PolarHBondContact O-N 2.9Å; D56-A58 PolarHBondContact OD1-N 2.93Å; D56-T59 VanDerWaalsContact CG-OG1 3.3Å; D56-T59 PolarHBondContact O-N 3.45Å; D56-T59 PolarHBondContact OD1-N 3.44Å; D56-T59 VanDerWaalsContact OD1-N 3.07Å; D56-T59 PolarHBondContact OD1-OG1 3.32Å; D56-T59 WeakPolarHBondContact OD2-CB 3.24Å; D56-T59 PolarHBondContact OD2-OG1 3.22Å; D56-A60 PolarHBondContact O-N 3.07Å; D56-A60 VanDerWaalsContact O-N 3.12Å
57F97.6Very high97.7Very high121 Ų12178.5 Ų78.553%0.53143%0.433SS..Hα-helixtrans-67.1-25.7179.8-68.8-73.9000113.3L52 N55 A60 I61L52-F57 HydrophobicContact CD2-CE1 4.35Å; N55-F57 HydrophobicContact CB-CE2 4.31Å; N55-F57 WeakPolarHBondContact O-CD2 3.23Å; N55-F57 PolarHBondContact O-N 2.97Å; N55-F57 VanDerWaalsContact O-N 3.15Å; F57-A60 PolarHBondContact O-N 2.99Å; F57-I61 WeakPolarHBondContact O-CB 3.29Å; F57-I61 WeakPolarHBondContact O-CD1 3.13Å; F57-I61 WeakPolarHBondContact O-CG1 3.34Å; F57-I61 PolarHBondContact O-N 3.27Å
58A98.4Very high97.7Very high78 Ų7877.1 Ų77.165%0.64543%0.427SS*.Hα-helixtrans-65.3-48.1178.600000110.5D56 I61 G62D56-A58 VanDerWaalsContact C-N 3.26Å; D56-A58 PolarHBondContact O-N 2.9Å; D56-A58 PolarHBondContact OD1-N 2.93Å; A58-I61 PolarHBondContact O-N 2.97Å; A58-G62 PolarHBondContact O-N 3.2Å
59T98.1Very high97.8Very high65 Ų6578.5 Ų78.540%0.39943%0.431SS..Hα-helixtrans-64.3-43.6174.2-63.10000111.6A51 D56 I61 G62 L63A51-T59 HydrophobicContact CB-CG2 3.88Å; D56-T59 VanDerWaalsContact CG-OG1 3.3Å; D56-T59 PolarHBondContact O-N 3.45Å; D56-T59 PolarHBondContact OD1-N 3.44Å; D56-T59 VanDerWaalsContact OD1-N 3.07Å; D56-T59 PolarHBondContact OD1-OG1 3.32Å; D56-T59 WeakPolarHBondContact OD2-CB 3.24Å; D56-T59 PolarHBondContact OD2-OG1 3.22Å; T59-I61 VanDerWaalsContact C-N 3.34Å; T59-I61 PolarHBondContact O-N 3.43Å; T59-G62 PolarHBondContact O-N 3.26Å; T59-G62 VanDerWaalsContact O-N 3.14Å; T59-L63 HydrophobicContact CG2-CD1 4.11Å; T59-L63 HydrophobicContact CG2-CG 4.44Å; T59-L63 WeakPolarHBondContact O-CG 3.5Å; T59-L63 PolarHBondContact O-N 3.1Å
60A98.2Very high97.9Very high8 Ų874.1 Ų74.17%0.06641%0.411CS..Hα-helixtrans-58.8-43.7178.900000112.5L48 A51 L52 D56 F57 L63L48-A60 HydrophobicContact CD1-CB 3.71Å; A51-A60 HydrophobicContact CB-CB 4.18Å; L52-A60 HydrophobicContact CD2-CB 3.97Å; L52-A60 HydrophobicContact CG-CB 4.46Å; D56-A60 PolarHBondContact O-N 3.07Å; D56-A60 VanDerWaalsContact O-N 3.12Å; F57-A60 PolarHBondContact O-N 2.99Å; A60-L63 PolarHBondContact O-N 3.12Å
61I98.2Very high98Very high106 Ų10669.7 Ų69.754%0.54439%0.393SS..Hα-helixtrans-64.8-43.6175-69.2165.9000110.4F57 A58 T59 L63 Q64F57-I61 WeakPolarHBondContact O-CB 3.29Å; F57-I61 WeakPolarHBondContact O-CD1 3.13Å; F57-I61 WeakPolarHBondContact O-CG1 3.34Å; F57-I61 PolarHBondContact O-N 3.27Å; A58-I61 PolarHBondContact O-N 2.97Å; T59-I61 VanDerWaalsContact C-N 3.34Å; T59-I61 PolarHBondContact O-N 3.43Å; I61-L63 PolarHBondContact O-N 3.1Å; I61-Q64 WeakPolarHBondContact O-CB 3.34Å; I61-Q64 WeakPolarHBondContact O-CG 3.32Å; I61-Q64 PolarHBondContact O-N 3.29Å; I61-Q64 VanDerWaalsContact O-N 3.16Å
62G98.2Very high98Very high53 Ų5369.5 Ų69.555%0.54639%0.392SS..Hα-helixtrans-61.9-21.9178.800000114.8A58 T59 P65A58-G62 PolarHBondContact O-N 3.2Å; T59-G62 PolarHBondContact O-N 3.26Å; T59-G62 VanDerWaalsContact O-N 3.14Å; G62-P65 WeakPolarHBondContact O-CD 3.36Å
63L98Very high98.1Very high14 Ų1465.6 Ų65.67%0.07337%0.371CS..THydrogen-bonded Turntrans-82.7-15.4178.1-70.8167.1000113.9K47 L48 T59 A60 I61 P65 L66 L67K47-L63 HydrophobicContact CB-CD1 3.75Å; K47-L63 HydrophobicContact CB-CD2 4.11Å; K47-L63 HydrophobicContact CD-CD2 4.32Å; L48-L63 HydrophobicContact CB-CD1 4.1Å; T59-L63 HydrophobicContact CG2-CD1 4.11Å; T59-L63 HydrophobicContact CG2-CG 4.44Å; T59-L63 WeakPolarHBondContact O-CG 3.5Å; T59-L63 PolarHBondContact O-N 3.1Å; A60-L63 PolarHBondContact O-N 3.12Å; I61-L63 PolarHBondContact O-N 3.1Å; L63-P65 VanDerWaalsContact C-CD 3.49Å; L63-L66 HydrophobicContact CD2-CD1 4.18Å; L63-L66 PolarHBondContact O-N 3.31Å; L63-L67 PolarHBondContact O-N 3.32Å; L63-L67 VanDerWaalsContact O-N 3.08Å
64Q96.9Very high98.1Very high123 Ų12362.8 Ų62.858%0.57534%0.344SS*.Hα-helixtrans-55.4-40.9-176.5-67.2-174.96.900114.2I61 L66 L67 K68I61-Q64 WeakPolarHBondContact O-CB 3.34Å; I61-Q64 WeakPolarHBondContact O-CG 3.32Å; I61-Q64 PolarHBondContact O-N 3.29Å; I61-Q64 VanDerWaalsContact O-N 3.16Å; Q64-L66 VanDerWaalsContact C-N 3.31Å; Q64-L66 PolarHBondContact O-N 2.93Å; Q64-L67 PolarHBondContact O-N 2.72Å; Q64-K68 WeakPolarHBondContact O-CB 3.19Å; Q64-K68 PolarHBondContact O-N 2.83Å
65P97.6Very high98.1Very high87 Ų8760 Ų6057%0.56533%0.334SS*.Hα-helixtrans-61.2-37.3175.7-24.836.1000113.4G62 L63 K68 F69G62-P65 WeakPolarHBondContact O-CD 3.36Å; L63-P65 VanDerWaalsContact C-CD 3.49Å; P65-K68 PolarHBondContact O-N 3.43Å; P65-F69 WeakPolarHBondContact O-CB 3.23Å; P65-F69 PolarHBondContact O-N 3.28Å
66L97.9Very high98.2Very high87 Ų8754.3 Ų54.346%0.45530%0.304SS..Hα-helixtrans-70.8-38.9178.5-68.3177.5000111.8A44 L63 Q64 N70A44-L66 HydrophobicContact CB-CB 4.18Å; L63-L66 HydrophobicContact CD2-CD1 4.18Å; L63-L66 PolarHBondContact O-N 3.31Å; Q64-L66 VanDerWaalsContact C-N 3.31Å; Q64-L66 PolarHBondContact O-N 2.93Å; L66-N70 WeakPolarHBondContact O-CB 3.26Å; L66-N70 PolarHBondContact O-N 3.42Å; L66-N70 PolarHBondContact O-ND2 2.92Å
67L97.1Very high98.2Very high38 Ų3851.4 Ų51.420%0.19929%0.288CS..Hα-helixtrans-63.3-44.9173.4-70.4165000110.7L41 A44 E45 L48 L63 Q64 G71L41-L67 HydrophobicContact CD1-CD2 4.21Å; A44-L67 HydrophobicContact CB-CD2 3.69Å; A44-L67 HydrophobicContact CB-CG 4.06Å; E45-L67 HydrophobicContact CG-CD2 3.88Å; L48-L67 HydrophobicContact CD2-CD1 3.7Å; L63-L67 PolarHBondContact O-N 3.32Å; L63-L67 VanDerWaalsContact O-N 3.08Å; Q64-L67 PolarHBondContact O-N 2.72Å; L67-G71 WeakPolarHBondContact O-CA 3.45Å; L67-G71 PolarHBondContact O-N 3.45Å
68K97.8Very high98.2Very high91 Ų9146.9 Ų46.940%0.39627%0.272SS..Hα-helixtrans-62.5-48.2178-170.4-179.3-177.9-157.50111.6Q64 P65 G72 D147Q64-K68 WeakPolarHBondContact O-CB 3.19Å; Q64-K68 PolarHBondContact O-N 2.83Å; P65-K68 PolarHBondContact O-N 3.43Å; K68-G72 WeakPolarHBondContact O-CA 3.44Å; K68-G72 PolarHBondContact O-N 2.87Å; K68-D147 WeakPolarHBondContact CE-OD1 3.36Å; K68-D147 WeakPolarHBondContact CE-OD2 3.39Å; K68-D147 IonicContact NZ-OD1 3.11Å; K68-D147 PolarHBondContact NZ-OD1 2.98Å; K68-D147 VanDerWaalsContact NZ-OD1 3.11Å; K68-D147 IonicContact NZ-OD2 2.66Å; K68-D147 PolarHBondContact NZ-OD2 3.01Å
69F98.6Very high98.3Very high74 Ų7443.8 Ų43.833%0.32524%0.244SC..Hα-helixtrans-67.3-51.1-177.1-178.8-101.3000112.6Y37 P65 G73 N145 Q146 W164Y37-F69 HydrophobicContact CD1-CE1 4.15Å; Y37-F69 HydrophobicContact CE1-CD1 4.43Å; Y37-F69 AromaticContact CE1-CE1 3.68Å; Y37-F69 HydrophobicContact CE1-CE1 3.68Å; Y37-F69 AromaticContact CE1-CZ 3.83Å; Y37-F69 HydrophobicContact CE1-CZ 3.83Å; P65-F69 WeakPolarHBondContact O-CB 3.23Å; P65-F69 PolarHBondContact O-N 3.28Å; F69-G73 PolarHBondContact O-N 2.82Å; F69-N145 HydrophobicContact CE2-CB 4.45Å; F69-Q146 HydrophobicContact CD2-CB 3.91Å; F69-Q146 HydrophobicContact CD2-CG 4.07Å; F69-Q146 HydrophobicContact CE2-CB 4.09Å; F69-Q146 HydrophobicContact CE2-CG 3.73Å; F69-Q146 HydrophobicContact CZ-CG 4.13Å; F69-Q146 VanDerWaalsContact O-CB 3.23Å; F69-Q146 WeakPolarHBondContact O-CB 3.12Å; F69-W164 AromaticContact CE2-CH2 3.88Å; F69-W164 HydrophobicContact CE2-CH2 3.88Å; F69-W164 HydrophobicContact CE2-CZ2 4.01Å; F69-W164 HydrophobicContact CZ-CH2 4.05Å; F69-W164 HydrophobicContact CZ-CZ2 4.49Å
70N98.7Very high98.3Very high18 Ų1840.7 Ų40.710%0.09623%0.225CC..Hα-helixtrans-77.4-40.2-176.9-66.9-63.4000112.2Y37 L41 L66 G73 H74Y37-N70 WeakPolarHBondContact O-CB 3.33Å; L41-N70 HydrophobicContact CB-CB 4.01Å; L66-N70 WeakPolarHBondContact O-CB 3.26Å; L66-N70 PolarHBondContact O-N 3.42Å; L66-N70 PolarHBondContact O-ND2 2.92Å; N70-G73 PolarHBondContact O-N 2.93Å; N70-H74 PolarHBondContact O-N 2.87Å
71G98.4Very high98.3Very high10 Ų1040.4 Ų40.410%0.10322%0.222CC..Hα-helixtrans-63.9-44.8174.700000111.8L67 H74 I75L67-G71 WeakPolarHBondContact O-CA 3.45Å; L67-G71 PolarHBondContact O-N 3.45Å; G71-H74 PolarHBondContact O-N 2.96Å; G71-I75 VanDerWaalsContact O-CG1 3.29Å; G71-I75 WeakPolarHBondContact O-CG1 3.44Å; G71-I75 PolarHBondContact O-N 3.5Å
72G98.6Very high98.3Very high1 Ų138.7 Ų38.71%0.0121%0.212CC..Hα-helixtrans-63.5-41.4173.800000112.9K68 H74 I75 N76 Q146K68-G72 WeakPolarHBondContact O-CA 3.44Å; K68-G72 PolarHBondContact O-N 2.87Å; G72-H74 VanDerWaalsContact C-N 3.34Å; G72-H74 PolarHBondContact O-N 3.38Å; G72-I75 PolarHBondContact O-N 3.05Å; G72-N76 VanDerWaalsContact O-CB 3.24Å; G72-N76 WeakPolarHBondContact O-CB 3.45Å; G72-N76 PolarHBondContact O-N 2.67Å; G72-N76 PolarHBondContact O-ND2 3.08Å; G72-N76 PolarHBondContact O-OD1 3.23Å; G72-Q146 CarbonylContact C-O 3.55Å; G72-Q146 WeakPolarHBondContact CA-O 3.44Å
73G98.8Very high98.3Very high0 Ų036.2 Ų36.20%019%0.186CC..Hα-helixtrans-58.9-45.4174.100000111.9F69 N70 H77F69-G73 PolarHBondContact O-N 2.82Å; N70-G73 PolarHBondContact O-N 2.93Å; G73-H77 WeakPolarHBondContact O-CB 3.16Å; G73-H77 PolarHBondContact O-N 3.26Å; G73-H77 VanDerWaalsContact O-N 3.1Å; G73-H77 PolarHBondContact O-ND1 3.45Å
74H98.7Very high98.4Very high27 Ų2735.6 Ų35.613%0.12518%0.183CC..Hα-helixtrans-63.1-47.2176.5-179.737.3000112.6T6 H34 V38 L41 N70 G71 G72 S78T6-H74 PolarHBondContact O-CE1 3.12Å; H34-H74 AromaticContact CD2-ND1 3.84Å; H34-H74 AromaticContact CE1-ND1 3.76Å; H34-H74 AromaticContact NE2-CE1 3.79Å; H34-H74 AromaticContact NE2-CG 3.9Å; H34-H74 AromaticContact NE2-ND1 2.89Å; H34-H74 PolarHBondContact NE2-ND1 3.37Å; H34-H74 PolarHBondContact NE2-O 3.39Å; V38-H74 HydrophobicContact CG2-CB 4.37Å; V38-H74 WeakPolarHBondContact CG2-ND1 3.31Å; L41-H74 HydrophobicContact CD2-CB 4.29Å; N70-H74 PolarHBondContact O-N 2.87Å; G71-H74 PolarHBondContact O-N 2.96Å; G72-H74 VanDerWaalsContact C-N 3.34Å; G72-H74 PolarHBondContact O-N 3.38Å; H74-S78 PolarHBondContact CE1-OG 3.24Å; H74-S78 PolarHBondContact ND1-OG 3.2Å; H74-S78 VanDerWaalsContact O-CB 3.24Å; H74-S78 WeakPolarHBondContact O-CB 3.08Å; H74-S78 PolarHBondContact O-N 3.07Å; H74-S78 PolarHBondContact O-OG 3.33Å
75I98.4Very high98.4Very high77 Ų7730.5 Ų30.540%0.39516%0.162SC..Hα-helixtrans-60.6-51.7178.4-70165.2000110.4G71 G72 H77 S78 I79 P148G71-I75 VanDerWaalsContact O-CG1 3.29Å; G71-I75 WeakPolarHBondContact O-CG1 3.44Å; G71-I75 PolarHBondContact O-N 3.5Å; G72-I75 PolarHBondContact O-N 3.05Å; I75-H77 PolarHBondContact O-N 3.32Å; I75-S78 PolarHBondContact O-N 3.47Å; I75-I79 HydrophobicContact CG2-CD1 3.91Å; I75-I79 WeakPolarHBondContact O-CG1 3.25Å; I75-I79 PolarHBondContact O-N 3.29Å; I75-I79 VanDerWaalsContact O-N 3.08Å; I75-P148 HydrophobicContact CD1-CB 4.35Å; I75-P148 HydrophobicContact CG2-CB 4.41Å
76N98.8Very high98.4Very high1 Ų129 Ų291%0.00515%0.152CC..Hα-helixtrans-60.3-47.8-174.7-66.8-6.9000111.1G72 I79 F80 W126 W128 Q146 D147 P148G72-N76 VanDerWaalsContact O-CB 3.24Å; G72-N76 WeakPolarHBondContact O-CB 3.45Å; G72-N76 PolarHBondContact O-N 2.67Å; G72-N76 PolarHBondContact O-ND2 3.08Å; G72-N76 PolarHBondContact O-OD1 3.23Å; N76-I79 PolarHBondContact O-N 3.23Å; N76-F80 WeakPolarHBondContact O-CB 3.13Å; N76-F80 PolarHBondContact O-N 3.04Å; N76-W126 HydrophobicContact CB-CD2 4.11Å; N76-W126 HydrophobicContact CB-CE3 4.3Å; N76-W126 HydrophobicContact CB-CH2 3.74Å; N76-W126 HydrophobicContact CB-CZ2 3.51Å; N76-W126 HydrophobicContact CB-CZ3 4.12Å; N76-W126 PolarHBondContact ND2-NE1 3.14Å; N76-W128 HydrophobicContact CB-CH2 4.3Å; N76-W128 HydrophobicContact CB-CZ2 3.95Å; N76-W128 WeakPolarHBondContact OD1-CZ2 3.22Å; N76-Q146 PolarHBondContact ND2-O 3.41Å; N76-D147 PolarHBondContact ND2-O 3.42Å; N76-P148 WeakPolarHBondContact OD1-CA 3.37Å
77H98.9Very high97.9Very high0 Ų035.7 Ų35.70%018%0.177CC..Hα-helixtrans-69.3-39.2179.8-70.579.6000112.2H29 H34 Y37 G73 I75 I79 F80 W81 W126 D162 H166H29-H77 AromaticContact CD2-CD2 3.51Å; H29-H77 AromaticContact CD2-NE2 3.37Å; H29-H77 PolarHBondContact CD2-NE2 3.17Å; H29-H77 AromaticContact NE2-CD2 3.17Å; H29-H77 PolarHBondContact NE2-CD2 3.25Å; H29-H77 AromaticContact NE2-NE2 2.89Å; H29-H77 PolarHBondContact NE2-NE2 3.39Å; H34-H77 HydrophobicContact CB-CB 4.31Å; Y37-H77 AromaticContact CD2-CE1 3.75Å; Y37-H77 AromaticContact CD2-ND1 3.78Å; Y37-H77 AromaticContact CE2-CE1 3.24Å; Y37-H77 WeakPolarHBondContact CE2-CE1 3.19Å; Y37-H77 AromaticContact CE2-ND1 3.76Å; Y37-H77 AromaticContact CE2-NE2 3.88Å; G73-H77 WeakPolarHBondContact O-CB 3.16Å; G73-H77 PolarHBondContact O-N 3.26Å; G73-H77 VanDerWaalsContact O-N 3.1Å; G73-H77 PolarHBondContact O-ND1 3.45Å; I75-H77 PolarHBondContact O-N 3.32Å; H77-I79 PolarHBondContact O-N 3.44Å; H77-F80 WeakPolarHBondContact O-CB 3.04Å; H77-F80 PolarHBondContact O-N 2.82Å; H77-F80 VanDerWaalsContact O-N 3.12Å; H77-W81 HydrophobicContact CB-CZ2 4.16Å; H77-W81 AromaticContact CD2-CZ2 3.73Å; H77-W81 PolarHBondContact O-N 3.21Å; H77-W81 PolarHBondContact O-NE1 3.23Å; H77-W126 AromaticContact CE1-CZ2 3.51Å; H77-W126 AromaticContact ND1-CZ2 3.75Å; H77-D162 IonicContact NE2-OD2 3.46Å; H77-D162 PolarHBondContact NE2-OD2 3.38Å; H77-H166 AromaticContact NE2-NE2 3.98Å
78S98.7Very high97.5Very high26 Ų2636 Ų3618%0.18218%0.183CC..Hα-helixtrans-59.6-35.2176.5-61.10000112.2H34 H74 I75 H82H34-S78 PolarHBondContact CE1-OG 2.91Å; H34-S78 PolarHBondContact NE2-OG 2.88Å; H74-S78 PolarHBondContact CE1-OG 3.24Å; H74-S78 PolarHBondContact ND1-OG 3.2Å; H74-S78 VanDerWaalsContact O-CB 3.24Å; H74-S78 WeakPolarHBondContact O-CB 3.08Å; H74-S78 PolarHBondContact O-N 3.07Å; H74-S78 PolarHBondContact O-OG 3.33Å; I75-S78 PolarHBondContact O-N 3.47Å; S78-H82 PolarHBondContact O-ND1 3.11Å
79I98.7Very high97.2Very high13 Ų1332.4 Ų32.47%0.06717%0.172CC..Hα-helixtrans-72-48.2172.4-63.5171.5000110.7I75 N76 H77 W81 H82 N83 W128 P157I75-I79 HydrophobicContact CG2-CD1 3.91Å; I75-I79 WeakPolarHBondContact O-CG1 3.25Å; I75-I79 PolarHBondContact O-N 3.29Å; I75-I79 VanDerWaalsContact O-N 3.08Å; N76-I79 PolarHBondContact O-N 3.23Å; H77-I79 PolarHBondContact O-N 3.44Å; I79-W81 VanDerWaalsContact C-N 3.32Å; I79-W81 PolarHBondContact O-N 2.96Å; I79-H82 PolarHBondContact O-N 3.46Å; I79-H82 VanDerWaalsContact O-N 3.1Å; I79-N83 VanDerWaalsContact CG2-OD1 3.31Å; I79-N83 WeakPolarHBondContact CG2-OD1 3.48Å; I79-N83 PolarHBondContact O-N 3.37Å; I79-W128 HydrophobicContact CB-CH2 4.47Å; I79-W128 HydrophobicContact CD1-CH2 4.42Å; I79-W128 HydrophobicContact CD1-CZ3 4.47Å; I79-W128 HydrophobicContact CG2-CH2 4.35Å; I79-W128 HydrophobicContact CG2-CZ3 4.01Å; I79-P157 HydrophobicContact CD1-CB 3.81Å; I79-P157 HydrophobicContact CD1-CG 3.49Å; I79-P157 VanDerWaalsContact CD1-CG 3.49Å
80F98.8Very high97.1Very high1 Ų131.4 Ų31.40%0.00418%0.182CC..Hα-helixtrans-52.6-46.7-178.9-176.2-119.1000112.6H29 N76 H77 H82 N83 L84 W126 G160 D162 I183H29-F80 AromaticContact CE1-CE1 3.77Å; N76-F80 WeakPolarHBondContact O-CB 3.13Å; N76-F80 PolarHBondContact O-N 3.04Å; H77-F80 WeakPolarHBondContact O-CB 3.04Å; H77-F80 PolarHBondContact O-N 2.82Å; H77-F80 VanDerWaalsContact O-N 3.12Å; F80-H82 VanDerWaalsContact C-N 3.28Å; F80-H82 PolarHBondContact O-N 2.87Å; F80-N83 WeakPolarHBondContact O-CB 3.48Å; F80-N83 PolarHBondContact O-N 3.05Å; F80-N83 VanDerWaalsContact O-N 3.13Å; F80-L84 HydrophobicContact CD1-CD1 4.25Å; F80-L84 HydrophobicContact CD2-CD1 4.36Å; F80-L84 HydrophobicContact CE1-CD1 3.78Å; F80-L84 HydrophobicContact CE2-CD1 3.91Å; F80-L84 HydrophobicContact CE2-CD2 4.31Å; F80-L84 HydrophobicContact CE2-CG 4.34Å; F80-L84 HydrophobicContact CZ-CD1 3.61Å; F80-L84 WeakPolarHBondContact O-CG 3.06Å; F80-L84 PolarHBondContact O-N 2.79Å; F80-W126 HydrophobicContact CB-CH2 4.12Å; F80-W126 HydrophobicContact CB-CZ3 3.94Å; F80-W126 HydrophobicContact CD2-CZ3 4.14Å; F80-W126 HydrophobicContact CG-CH2 4.35Å; F80-W126 HydrophobicContact CG-CZ3 4.12Å; F80-G160 WeakPolarHBondContact CD2-O 3.25Å; F80-D162 HydrophobicContact CE2-CB 4.32Å; F80-D162 HydrophobicContact CZ-CB 4.28Å; F80-I183 HydrophobicContact CE2-CD1 3.82Å; F80-I183 HydrophobicContact CZ-CD1 4.12Å
81W98.8Very high97Very high1 Ų136.6 Ų36.60%0.00421%0.206CC..Hα-helixtrans-59.4-38.7-179.8-53.7136.2000113.1L10 Y12 M26 H29 H30 H34 H77 I79L10-W81 HydrophobicContact CD2-CB 3.73Å; L10-W81 HydrophobicContact CD2-CD2 3.51Å; L10-W81 HydrophobicContact CD2-CE3 3.78Å; L10-W81 HydrophobicContact CD2-CG 3.45Å; L10-W81 VanDerWaalsContact CD2-CG 3.45Å; Y12-W81 VanDerWaalsContact CE1-O 3.24Å; Y12-W81 WeakPolarHBondContact CE1-O 3.32Å; Y12-W81 PolarHBondContact OH-O 3.04Å; M26-W81 HydrophobicContact CE-CE3 3.74Å; M26-W81 HydrophobicContact CE-CZ3 3.49Å; M26-W81 VanDerWaalsContact CE-CZ3 3.49Å; M26-W81 HydrophobicContact SD-CZ3 4.17Å; H29-W81 HydrophobicContact CB-CH2 3.85Å; H29-W81 AromaticContact CD2-CH2 3.76Å; H29-W81 AromaticContact CE1-CH2 4Å; H29-W81 AromaticContact CG-CH2 3.49Å; H29-W81 VanDerWaalsContact CG-CH2 3.49Å; H29-W81 AromaticContact ND1-CH2 3.66Å; H30-W81 HydrophobicContact CB-CH2 4.5Å; H30-W81 HydrophobicContact CB-CZ2 4.23Å; H30-W81 AromaticContact CD2-NE1 3.85Å; H34-W81 HydrophobicContact CB-CZ2 4.37Å; H34-W81 AromaticContact CE1-CD1 4Å; H34-W81 AromaticContact CE1-NE1 3.53Å; H34-W81 AromaticContact CG-NE1 3.9Å; H34-W81 AromaticContact ND1-CD1 3.79Å; H34-W81 AromaticContact ND1-NE1 2.97Å; H34-W81 PolarHBondContact ND1-NE1 3.17Å; H77-W81 HydrophobicContact CB-CZ2 4.16Å; H77-W81 AromaticContact CD2-CZ2 3.73Å; H77-W81 PolarHBondContact O-N 3.21Å; H77-W81 PolarHBondContact O-NE1 3.23Å; I79-W81 VanDerWaalsContact C-N 3.32Å; I79-W81 PolarHBondContact O-N 2.96Å
82H98.3Very high97Very high71 Ų7136.8 Ų36.833%0.32921%0.205SC..Hα-helixtrans-78.8-28.9178.9-69.283.1000112.8S78 I79 F80 L84 N188 D191S78-H82 PolarHBondContact O-ND1 3.11Å; I79-H82 PolarHBondContact O-N 3.46Å; I79-H82 VanDerWaalsContact O-N 3.1Å; F80-H82 VanDerWaalsContact C-N 3.28Å; F80-H82 PolarHBondContact O-N 2.87Å; H82-L84 PolarHBondContact O-N 2.89Å; H82-N188 WeakPolarHBondContact O-CB 3.43Å; H82-N188 PolarHBondContact O-ND2 2.92Å; H82-D191 VanDerWaalsContact O-CB 3.27Å; H82-D191 WeakPolarHBondContact O-CB 3.24Å
83N98.7Very high96.8Very high0 Ų041.1 Ų41.10%024%0.235CC..Hα-helixtrans-69.4-8.2174.8-77.5174.2000113.5I79 F80 L158 L159 G160 I187 N188 D191I79-N83 VanDerWaalsContact CG2-OD1 3.31Å; I79-N83 WeakPolarHBondContact CG2-OD1 3.48Å; I79-N83 PolarHBondContact O-N 3.37Å; F80-N83 WeakPolarHBondContact O-CB 3.48Å; F80-N83 PolarHBondContact O-N 3.05Å; F80-N83 VanDerWaalsContact O-N 3.13Å; N83-L158 PolarHBondContact ND2-O 3.46Å; N83-L158 PolarHBondContact OD1-O 2.9Å; N83-L159 HydrophobicContact CB-CD1 3.96Å; N83-L159 VanDerWaalsContact OD1-CA 3.23Å; N83-L159 WeakPolarHBondContact OD1-CA 3.44Å; N83-G160 PolarHBondContact OD1-N 2.83Å; N83-I187 WeakPolarHBondContact O-CA 3.43Å; N83-N188 PolarHBondContact O-N 3.03Å; N83-D191 PolarHBondContact ND2-OD2 3.46Å
84L98.7Very high96.6Very high1 Ų143.4 Ų43.41%0.00526%0.259CS..BIsolated β-bridgetrans-111.3152.9175.2-52.2173.7000110.8Y12 L17 I21 F80 H82 I183 V186 I187Y12-L84 HydrophobicContact CE1-CB 4.37Å; Y12-L84 WeakPolarHBondContact CE1-O 3.49Å; Y12-L84 WeakPolarHBondContact OH-CB 3.43Å; L17-L84 HydrophobicContact CD1-CB 3.86Å; L17-L84 HydrophobicContact CD1-CD1 3.69Å; L17-L84 HydrophobicContact CD1-CG 4.37Å; L17-L84 HydrophobicContact CD2-CB 4.47Å; I21-L84 HydrophobicContact CD1-CD1 3.97Å; F80-L84 HydrophobicContact CD1-CD1 4.25Å; F80-L84 HydrophobicContact CD2-CD1 4.36Å; F80-L84 HydrophobicContact CE1-CD1 3.78Å; F80-L84 HydrophobicContact CE2-CD1 3.91Å; F80-L84 HydrophobicContact CE2-CD2 4.31Å; F80-L84 HydrophobicContact CE2-CG 4.34Å; F80-L84 HydrophobicContact CZ-CD1 3.61Å; F80-L84 WeakPolarHBondContact O-CG 3.06Å; F80-L84 PolarHBondContact O-N 2.79Å; H82-L84 PolarHBondContact O-N 2.89Å; L84-I183 HydrophobicContact CD2-CD1 4.05Å; L84-I183 HydrophobicContact CD2-CG1 3.95Å; L84-V186 CarbonylContact C-O 3.5Å; L84-V186 VanDerWaalsContact CA-O 3.25Å; L84-V186 WeakPolarHBondContact CA-O 3.39Å; L84-V186 HydrophobicContact CD2-CG2 3.97Å; L84-I187 HydrophobicContact CD2-CD1 3.84Å
85A98.2Very high96.6Very high16 Ų1647.4 Ų47.413%0.13228%0.278CS..  trans-159.1148.7173.100000112.1S88 V186 N188A85-S88 VanDerWaalsContact O-CB 3.22Å; A85-S88 WeakPolarHBondContact O-CB 3.47Å; A85-V186 PolarHBondContact N-O 2.72Å; A85-N188 HydrophobicContact CB-CB 3.69Å
86P96.8Very high96.6Very high56 Ų5643.8 Ų43.836%0.36426%0.259SS..THydrogen-bonded Turntrans-64.4146.3173.627-35.1000111.8A16 S88A16-P86 HydrophobicContact CB-CB 4.01Å; A16-P86 HydrophobicContact CB-CG 4.28Å; A16-P86 VanDerWaalsContact O-CB 3.28Å; A16-P86 WeakPolarHBondContact O-CB 3.42Å; P86-S88 PolarHBondContact O-N 3.3Å; P86-S88 VanDerWaalsContact O-N 3.08Å
87K86.7Confident96.6Very high227 Ų22745.2 Ų45.299%0.98727%0.271SS*.THydrogen-bonded Turntrans49.136.5178.1-58.1178.6-179.6177.40112.5
88S89.9Confident96.6Very high44 Ų4450 Ų5031%0.30830%0.301SS..  trans-106.7-143.6-178.4-158.10000110.5A85 P86 Q185 I187A85-S88 VanDerWaalsContact O-CB 3.22Å; A85-S88 WeakPolarHBondContact O-CB 3.47Å; P86-S88 PolarHBondContact O-N 3.3Å; P86-S88 VanDerWaalsContact O-N 3.08Å; S88-Q185 CarbonylContact C-O 3.5Å; S88-Q185 VanDerWaalsContact O-O 3.04Å; S88-I187 PolarHBondContact OG-O 3.34Å
89G92.1Very high96.5Very high16 Ų1649 Ų4917%0.16529%0.294CS..  trans75.8-151.8-175.100000112.4W184 Q185 I187G89-W184 WeakPolarHBondContact CA-O 3.46Å; G89-Q185 PolarHBondContact N-O 2.93Å; G89-I187 WeakPolarHBondContact CA-O 3.32Å; G89-I187 PolarHBondContact N-O 3.13Å
90G94.8Very high96.6Very high53 Ų5348.5 Ų48.555%0.54629%0.292SS..SBendtrans77.7-146.7-168.800000111.5W189G90-W189 PolarHBondContact O-NE1 2.97Å
91E97.2Very high96.5Very high128 Ų12855.5 Ų55.560%0.59832%0.322SS*.  trans-108.2150.4178.7-56-165.2-167.900110.7F107E91-F107 HydrophobicContact CB-CD1 4.26Å; E91-F107 HydrophobicContact CB-CE1 4.4Å; E91-F107 HydrophobicContact CB-CG 4.39Å; E91-F107 HydrophobicContact CG-CD1 3.54Å; E91-F107 HydrophobicContact CG-CE1 3.74Å; E91-F107 HydrophobicContact CG-CG 4.09Å; E91-F107 HydrophobicContact CG-CZ 4.44Å
92P97.6Very high96.5Very high13 Ų1362.3 Ų62.38%0.08435%0.347CS..  trans-64.5158.8169.825.6-28.7000110.9L96 A97 I100 F107 W189P92-L96 HydrophobicContact CB-CD2 3.85Å; P92-L96 HydrophobicContact CB-CG 4.12Å; P92-A97 WeakPolarHBondContact O-CB 3.27Å; P92-I100 HydrophobicContact CB-CD1 4.5Å; P92-I100 HydrophobicContact CG-CD1 3.56Å; P92-F107 VanDerWaalsContact CD-CD2 3.44Å; P92-F107 HydrophobicContact CG-CD2 4.04Å; P92-F107 HydrophobicContact CG-CE2 4.19Å; P92-W189 HydrophobicContact CB-CB 4.3Å; P92-W189 HydrophobicContact CB-CD2 3.83Å; P92-W189 HydrophobicContact CB-CE3 3.71Å; P92-W189 HydrophobicContact CB-CG 4.08Å; P92-W189 HydrophobicContact CB-CZ3 4.41Å; P92-W189 HydrophobicContact CG-CD2 4.15Å; P92-W189 HydrophobicContact CG-CE3 4.02Å; P92-W189 HydrophobicContact CG-CZ3 4.27Å
93S94.6Very high96.6Very high92 Ų9260.8 Ų60.864%0.64334%0.342SS*.  trans-121.8178.717360.70000110
94G96Very high96.6Very high48 Ų4861.6 Ų61.650%0.49535%0.345SS..Hα-helixtrans68.9-145170.600000113.7A97 T98G94-A97 PolarHBondContact O-N 3.05Å; G94-T98 PolarHBondContact O-N 2.9Å
95E97.7Very high96.6Very high112 Ų11264 Ų6452%0.52337%0.37SS..Hα-helixtrans-72-33.9-170.3-60-177.4-159.800111.9A97 T98 A99 E193 F196E95-A97 PolarHBondContact O-N 3.28Å; E95-T98 PolarHBondContact O-N 3.34Å; E95-A99 WeakPolarHBondContact O-CB 3.47Å; E95-A99 PolarHBondContact O-N 3.41Å; E95-E193 PolarHBondContact N-OE1 2.93Å; E95-F196 HydrophobicContact CB-CD1 4.21Å; E95-F196 HydrophobicContact CB-CE1 3.73Å
96L98.5Very high96.6Very high0 Ų065.6 Ų65.60%038%0.38CS..Hα-helixtrans-63.8-40.3174.6178.464.1000111.6P92 T98 A99 I100 L129 L138 W189 V192 E193 F196P92-L96 HydrophobicContact CB-CD2 3.85Å; P92-L96 HydrophobicContact CB-CG 4.12Å; L96-T98 VanDerWaalsContact C-N 3.32Å; L96-T98 PolarHBondContact O-N 3.33Å; L96-A99 PolarHBondContact O-N 3.32Å; L96-I100 HydrophobicContact CD1-CD1 3.97Å; L96-I100 HydrophobicContact CD1-CG1 4.15Å; L96-I100 HydrophobicContact CD2-CD1 4.44Å; L96-I100 HydrophobicContact CG-CD1 3.78Å; L96-I100 HydrophobicContact CG-CG1 4.35Å; L96-I100 WeakPolarHBondContact O-CB 3.43Å; L96-I100 WeakPolarHBondContact O-CG1 3.45Å; L96-I100 PolarHBondContact O-N 3.4Å; L96-L129 HydrophobicContact CD1-CD2 4.34Å; L96-L138 HydrophobicContact CD1-CD1 4.09Å; L96-L138 HydrophobicContact CD1-CD2 4.49Å; L96-W189 HydrophobicContact CD2-CE3 3.93Å; L96-W189 HydrophobicContact CD2-CZ3 4.24Å; L96-V192 HydrophobicContact CD2-CB 3.95Å; L96-V192 HydrophobicContact CD2-CG1 3.53Å; L96-E193 WeakPolarHBondContact CA-OE2 3.31Å; L96-E193 WeakPolarHBondContact CB-OE2 3.43Å; L96-E193 PolarHBondContact N-OE2 2.91Å; L96-F196 HydrophobicContact CB-CD1 4.05Å; L96-F196 HydrophobicContact CB-CG 4.36Å; L96-F196 HydrophobicContact CD1-CB 4.16Å; L96-F196 HydrophobicContact CD1-CD2 4.33Å; L96-F196 HydrophobicContact CD1-CG 4.06Å
97A98.5Very high96.7Very high31 Ų3163.9 Ų63.926%0.25637%0.367SS..Hα-helixtrans-61.8-43.1177.600000111.3P92 G94 E95 I100 K101P92-A97 WeakPolarHBondContact O-CB 3.27Å; G94-A97 PolarHBondContact O-N 3.05Å; E95-A97 PolarHBondContact O-N 3.28Å; A97-I100 PolarHBondContact O-N 3.11Å; A97-K101 WeakPolarHBondContact O-CB 3.23Å; A97-K101 PolarHBondContact O-N 3.46Å
98T98.5Very high97.2Very high102 Ų10258.1 Ų58.163%0.62634%0.344SS*.Hα-helixtrans-62.5-44.5174.2-61.70000111.6G94 E95 L96 K101 R102G94-T98 PolarHBondContact O-N 2.9Å; E95-T98 PolarHBondContact O-N 3.34Å; L96-T98 VanDerWaalsContact C-N 3.32Å; L96-T98 PolarHBondContact O-N 3.33Å; T98-K101 PolarHBondContact O-N 2.76Å; T98-R102 WeakPolarHBondContact O-CB 3.31Å; T98-R102 PolarHBondContact O-N 2.92Å
99A98.6Very high97.6Very high5 Ų557.5 Ų57.54%0.04134%0.342CS..Hα-helixtrans-64.5-42.117800000112.3E95 L96 K101 R102 D103 L138 F196E95-A99 WeakPolarHBondContact O-CB 3.47Å; E95-A99 PolarHBondContact O-N 3.41Å; L96-A99 PolarHBondContact O-N 3.32Å; A99-K101 PolarHBondContact O-N 2.8Å; A99-R102 PolarHBondContact O-N 3.02Å; A99-D103 WeakPolarHBondContact O-CB 3.46Å; A99-D103 PolarHBondContact O-N 3.33Å; A99-L138 HydrophobicContact CB-CD1 3.73Å; A99-L138 HydrophobicContact CB-CG 4.16Å; A99-F196 HydrophobicContact CB-CE1 4.17Å; A99-F196 HydrophobicContact CB-CE2 3.98Å; A99-F196 HydrophobicContact CB-CZ 3.54Å
100I98.8Very high98Very high2 Ų256.8 Ų56.81%0.0133%0.334CS..Hα-helixtrans-61-46.5175.5-76.3169.2000110.5P92 L96 A97 R102 D103 F104 F110 L138P92-I100 HydrophobicContact CB-CD1 4.5Å; P92-I100 HydrophobicContact CG-CD1 3.56Å; L96-I100 HydrophobicContact CD1-CD1 3.97Å; L96-I100 HydrophobicContact CD1-CG1 4.15Å; L96-I100 HydrophobicContact CD2-CD1 4.44Å; L96-I100 HydrophobicContact CG-CD1 3.78Å; L96-I100 HydrophobicContact CG-CG1 4.35Å; L96-I100 WeakPolarHBondContact O-CB 3.43Å; L96-I100 WeakPolarHBondContact O-CG1 3.45Å; L96-I100 PolarHBondContact O-N 3.4Å; A97-I100 PolarHBondContact O-N 3.11Å; I100-R102 VanDerWaalsContact C-N 3.31Å; I100-R102 PolarHBondContact O-N 2.79Å; I100-D103 PolarHBondContact O-N 3Å; I100-F104 HydrophobicContact CB-CD2 4.5Å; I100-F104 HydrophobicContact CG2-CD2 4.3Å; I100-F104 WeakPolarHBondContact O-CB 3.21Å; I100-F104 PolarHBondContact O-N 3.26Å; I100-F110 HydrophobicContact CD1-CD1 4.06Å; I100-F110 HydrophobicContact CD1-CE1 4.09Å; I100-F110 HydrophobicContact CG1-CD1 4.47Å; I100-F110 HydrophobicContact CG2-CB 3.72Å; I100-F110 HydrophobicContact CG2-CD1 4.08Å; I100-F110 HydrophobicContact CG2-CG 4Å; I100-L138 HydrophobicContact CB-CD1 4.41Å; I100-L138 HydrophobicContact CG1-CD1 3.61Å
101K98.7Very high98.2Very high148 Ų14857.1 Ų57.164%0.64332%0.32SS*.Hα-helixtrans-61.6-40.9177.2-171.4178.9-179.1177.30111.6A97 T98 A99 G105A97-K101 WeakPolarHBondContact O-CB 3.23Å; A97-K101 PolarHBondContact O-N 3.46Å; T98-K101 PolarHBondContact O-N 2.76Å; A99-K101 PolarHBondContact O-N 2.8Å; K101-G105 WeakPolarHBondContact CG-O 3.38Å; K101-G105 CarbonylContact O-C 3.4Å; K101-G105 WeakPolarHBondContact O-CA 3.29Å; K101-G105 PolarHBondContact O-N 3.5Å
102R98.6Very high98.2Very high143 Ų14354.4 Ų54.454%0.5432%0.315SS..Hα-helixtrans-63.2-49.1177.5-178.2-165.367.1-166.8-3.4112T98 A99 I100 K136T98-R102 WeakPolarHBondContact O-CB 3.31Å; T98-R102 PolarHBondContact O-N 2.92Å; A99-R102 PolarHBondContact O-N 3.02Å; I100-R102 VanDerWaalsContact C-N 3.31Å; I100-R102 PolarHBondContact O-N 2.79Å; R102-K136 PolarHBondContact NH1-O 3.03Å; R102-K136 PolarHBondContact NH2-O 2.89Å
103D98.7Very high98.3Very high39 Ų3960.6 Ų60.621%0.20934%0.337CS..Hα-helixtrans-89.2-24.7-168-64.2-25.5000113.6A99 I100 L138A99-D103 WeakPolarHBondContact O-CB 3.46Å; A99-D103 PolarHBondContact O-N 3.33Å; I100-D103 PolarHBondContact O-N 3Å; D103-L138 HydrophobicContact CB-CB 4.18Å; D103-L138 WeakPolarHBondContact OD2-CB 3.18Å; D103-L138 PolarHBondContact OD2-N 3.4Å
104F98.8Very high98.5Very high17 Ų1756.2 Ų56.28%0.07531%0.306CS..Hα-helixtrans-120.2-5.9-178.2-54.7-73000113.8I100 S106 A109 F110 L129 L138 I140I100-F104 HydrophobicContact CB-CD2 4.5Å; I100-F104 HydrophobicContact CG2-CD2 4.3Å; I100-F104 WeakPolarHBondContact O-CB 3.21Å; I100-F104 PolarHBondContact O-N 3.26Å; F104-S106 VanDerWaalsContact C-N 3.26Å; F104-S106 PolarHBondContact O-N 2.95Å; F104-A109 VanDerWaalsContact O-CB 3.27Å; F104-A109 WeakPolarHBondContact O-CB 3.19Å; F104-F110 HydrophobicContact CB-CB 3.71Å; F104-F110 HydrophobicContact CD2-CB 3.77Å; F104-F110 AromaticContact CD2-CD2 3.77Å; F104-F110 HydrophobicContact CD2-CD2 3.77Å; F104-F110 HydrophobicContact CD2-CG 4.06Å; F104-F110 AromaticContact CE2-CD2 3.71Å; F104-F110 HydrophobicContact CE2-CD2 3.71Å; F104-F110 HydrophobicContact CE2-CE2 4.41Å; F104-F110 HydrophobicContact CE2-CG 4.41Å; F104-F110 HydrophobicContact CG-CB 3.77Å; F104-F110 HydrophobicContact CG-CD2 4.22Å; F104-F110 HydrophobicContact CG-CG 4.43Å; F104-F110 HydrophobicContact CZ-CD2 4.11Å; F104-L129 HydrophobicContact CE2-CD1 3.99Å; F104-L129 HydrophobicContact CZ-CD1 4.07Å; F104-L138 HydrophobicContact CE2-CB 3.61Å; F104-L138 HydrophobicContact CE2-CD1 4.07Å; F104-L138 HydrophobicContact CZ-CB 3.96Å; F104-I140 HydrophobicContact CD1-CD1 4.21Å; F104-I140 HydrophobicContact CE1-CD1 3.63Å; F104-I140 HydrophobicContact CE1-CG1 3.74Å; F104-I140 HydrophobicContact CZ-CD1 4.09Å; F104-I140 HydrophobicContact CZ-CG1 3.82Å
105G98.7Very high98.6Very high51 Ų5155 Ų5553%0.52629%0.29SS..SBendtrans87-40.6-179.400000113.9K101K101-G105 WeakPolarHBondContact CG-O 3.38Å; K101-G105 CarbonylContact O-C 3.4Å; K101-G105 WeakPolarHBondContact O-CA 3.29Å; K101-G105 PolarHBondContact O-N 3.5Å
106S98.5Very high98.7Very high50 Ų5054.1 Ų54.135%0.3529%0.293SS..SBendtrans-156.6164.4175.269.40000111.6F104 E108 A109 F110F104-S106 VanDerWaalsContact C-N 3.26Å; F104-S106 PolarHBondContact O-N 2.95Å; S106-E108 VanDerWaalsContact C-N 3.34Å; S106-A109 PolarHBondContact O-N 3.17Å; S106-A109 WeakPolarHBondContact OG-CB 3.47Å; S106-A109 PolarHBondContact OG-N 2.66Å; S106-A109 VanDerWaalsContact OG-N 3.09Å; S106-F110 PolarHBondContact O-N 3.04Å
107F98.6Very high98.7Very high20 Ų2055.3 Ų55.39%0.08830%0.303CS..Hα-helixtrans-60.2-43.7172.8177.1-107.5000111.9E91 P92 A109 F110 K111 W184 W189E91-F107 HydrophobicContact CB-CD1 4.26Å; E91-F107 HydrophobicContact CB-CE1 4.4Å; E91-F107 HydrophobicContact CB-CG 4.39Å; E91-F107 HydrophobicContact CG-CD1 3.54Å; E91-F107 HydrophobicContact CG-CE1 3.74Å; E91-F107 HydrophobicContact CG-CG 4.09Å; E91-F107 HydrophobicContact CG-CZ 4.44Å; P92-F107 VanDerWaalsContact CD-CD2 3.44Å; P92-F107 HydrophobicContact CG-CD2 4.04Å; P92-F107 HydrophobicContact CG-CE2 4.19Å; F107-A109 VanDerWaalsContact C-N 3.35Å; F107-A109 PolarHBondContact O-N 3.37Å; F107-F110 AromaticContact CD2-CD1 3.91Å; F107-F110 HydrophobicContact CD2-CD1 3.91Å; F107-F110 HydrophobicContact CD2-CE1 4.43Å; F107-F110 HydrophobicContact CE2-CD1 4Å; F107-F110 HydrophobicContact CE2-CE1 4.12Å; F107-F110 WeakPolarHBondContact O-CB 3.38Å; F107-F110 PolarHBondContact O-N 2.69Å; F107-K111 HydrophobicContact CE1-CD 4.07Å; F107-K111 HydrophobicContact CZ-CD 4.39Å; F107-K111 VanDerWaalsContact O-CB 3.31Å; F107-K111 WeakPolarHBondContact O-CB 3.34Å; F107-K111 PolarHBondContact O-N 3.03Å; F107-W184 HydrophobicContact CE2-CZ3 4.32Å; F107-W184 HydrophobicContact CZ-CE3 4.27Å; F107-W184 HydrophobicContact CZ-CZ3 4.23Å; F107-W189 AromaticContact CE2-CH2 3.91Å; F107-W189 HydrophobicContact CE2-CH2 3.91Å; F107-W189 AromaticContact CE2-CZ2 3.49Å; F107-W189 HydrophobicContact CE2-CZ2 3.49Å; F107-W189 VanDerWaalsContact CE2-CZ2 3.49Å; F107-W189 AromaticContact CZ-CZ2 3.75Å; F107-W189 HydrophobicContact CZ-CZ2 3.75Å
108E98.5Very high98.7Very high107 Ų10753.8 Ų53.850%0.529%0.29SS..Hα-helixtrans-62.8-39.2178-70.9-56.7135.900112.8S106 K111 S112S106-E108 VanDerWaalsContact C-N 3.34Å; E108-K111 PolarHBondContact O-N 3.05Å; E108-S112 VanDerWaalsContact O-CB 3.26Å; E108-S112 WeakPolarHBondContact O-CB 3.26Å; E108-S112 PolarHBondContact O-N 2.87Å
109A98.8Very high98.7Very high31 Ų3151.6 Ų51.626%0.25628%0.276SS..Hα-helixtrans-65.6-42.4175.100000111.6F104 S106 F107 R113F104-A109 VanDerWaalsContact O-CB 3.27Å; F104-A109 WeakPolarHBondContact O-CB 3.19Å; S106-A109 PolarHBondContact O-N 3.17Å; S106-A109 WeakPolarHBondContact OG-CB 3.47Å; S106-A109 PolarHBondContact OG-N 2.66Å; S106-A109 VanDerWaalsContact OG-N 3.09Å; F107-A109 VanDerWaalsContact C-N 3.35Å; F107-A109 PolarHBondContact O-N 3.37Å; A109-R113 WeakPolarHBondContact O-CB 3.42Å; A109-R113 VanDerWaalsContact O-CG 3.28Å; A109-R113 WeakPolarHBondContact O-CG 3.4Å; A109-R113 PolarHBondContact O-N 2.93Å
110F98.8Very high98.7Very high0 Ų053.9 Ų53.90%030%0.301CS..Hα-helixtrans-59.8-52.6172.9157.9-109.7000111.8I100 F104 S106 F107 S112 R113 L114 L129 I140 W184 W189I100-F110 HydrophobicContact CD1-CD1 4.06Å; I100-F110 HydrophobicContact CD1-CE1 4.09Å; I100-F110 HydrophobicContact CG1-CD1 4.47Å; I100-F110 HydrophobicContact CG2-CB 3.72Å; I100-F110 HydrophobicContact CG2-CD1 4.08Å; I100-F110 HydrophobicContact CG2-CG 4Å; F104-F110 HydrophobicContact CB-CB 3.71Å; F104-F110 HydrophobicContact CD2-CB 3.77Å; F104-F110 AromaticContact CD2-CD2 3.77Å; F104-F110 HydrophobicContact CD2-CD2 3.77Å; F104-F110 HydrophobicContact CD2-CG 4.06Å; F104-F110 AromaticContact CE2-CD2 3.71Å; F104-F110 HydrophobicContact CE2-CD2 3.71Å; F104-F110 HydrophobicContact CE2-CE2 4.41Å; F104-F110 HydrophobicContact CE2-CG 4.41Å; F104-F110 HydrophobicContact CG-CB 3.77Å; F104-F110 HydrophobicContact CG-CD2 4.22Å; F104-F110 HydrophobicContact CG-CG 4.43Å; F104-F110 HydrophobicContact CZ-CD2 4.11Å; S106-F110 PolarHBondContact O-N 3.04Å; F107-F110 AromaticContact CD2-CD1 3.91Å; F107-F110 HydrophobicContact CD2-CD1 3.91Å; F107-F110 HydrophobicContact CD2-CE1 4.43Å; F107-F110 HydrophobicContact CE2-CD1 4Å; F107-F110 HydrophobicContact CE2-CE1 4.12Å; F107-F110 WeakPolarHBondContact O-CB 3.38Å; F107-F110 PolarHBondContact O-N 2.69Å; F110-S112 VanDerWaalsContact C-N 3.31Å; F110-S112 PolarHBondContact O-N 3.24Å; F110-R113 PolarHBondContact O-N 3.23Å; F110-L114 HydrophobicContact CE2-CB 4.11Å; F110-L114 HydrophobicContact CE2-CD2 3.96Å; F110-L114 HydrophobicContact CZ-CB 4.49Å; F110-L114 HydrophobicContact CZ-CD2 3.76Å; F110-L114 PolarHBondContact O-N 3.48Å; F110-L129 HydrophobicContact CD2-CD1 4.46Å; F110-L129 HydrophobicContact CE2-CB 4.2Å; F110-L129 HydrophobicContact CE2-CD1 3.79Å; F110-L129 HydrophobicContact CE2-CD2 4.03Å; F110-L129 HydrophobicContact CE2-CG 4.21Å; F110-L129 HydrophobicContact CZ-CB 4.35Å; F110-L129 HydrophobicContact CZ-CD1 4.46Å; F110-L129 HydrophobicContact CZ-CD2 3.85Å; F110-L129 HydrophobicContact CZ-CG 4.44Å; F110-I140 HydrophobicContact CD2-CD1 4.05Å; F110-I140 HydrophobicContact CD2-CG1 4.48Å; F110-I140 HydrophobicContact CE2-CD1 4.34Å; F110-I140 HydrophobicContact CE2-CG1 4.41Å; F110-W184 HydrophobicContact CD1-CH2 4.43Å; F110-W184 AromaticContact CE1-CH2 3.74Å; F110-W184 HydrophobicContact CE1-CH2 3.74Å; F110-W184 AromaticContact CE1-CZ3 3.84Å; F110-W184 HydrophobicContact CE1-CZ3 3.84Å; F110-W184 AromaticContact CZ-CH2 3.98Å; F110-W184 HydrophobicContact CZ-CH2 3.98Å; F110-W184 HydrophobicContact CZ-CZ3 4.39Å; F110-W189 AromaticContact CE1-CH2 3.86Å; F110-W189 HydrophobicContact CE1-CH2 3.86Å; F110-W189 HydrophobicContact CZ-CH2 4.46Å
111K98.8Very high98.7Very high60 Ų6054.5 Ų54.526%0.26130%0.304SS..Hα-helixtrans-55.7-45.5179.7178.9176.9179.3-1790111.6F107 E108 S115 W184F107-K111 HydrophobicContact CE1-CD 4.07Å; F107-K111 HydrophobicContact CZ-CD 4.39Å; F107-K111 VanDerWaalsContact O-CB 3.31Å; F107-K111 WeakPolarHBondContact O-CB 3.34Å; F107-K111 PolarHBondContact O-N 3.03Å; E108-K111 PolarHBondContact O-N 3.05Å; K111-S115 VanDerWaalsContact O-CB 3.22Å; K111-S115 WeakPolarHBondContact O-CB 2.77Å; K111-S115 PolarHBondContact O-N 2.71Å; K111-S115 PolarHBondContact O-OG 3.24Å; K111-W184 HydrophobicContact CB-CH2 4.06Å; K111-W184 HydrophobicContact CB-CZ2 4.17Å; K111-W184 HydrophobicContact CB-CZ3 4.32Å; K111-W184 HydrophobicContact CD-CD2 4.1Å; K111-W184 HydrophobicContact CD-CE3 4.34Å; K111-W184 HydrophobicContact CD-CG 4.31Å; K111-W184 HydrophobicContact CG-CD2 3.78Å; K111-W184 HydrophobicContact CG-CE3 4.08Å; K111-W184 HydrophobicContact CG-CG 4.32Å; K111-W184 HydrophobicContact CG-CH2 3.97Å; K111-W184 HydrophobicContact CG-CZ2 3.69Å; K111-W184 HydrophobicContact CG-CZ3 4.14Å
112S98.8Very high98.6Very high71 Ų7156.5 Ų56.550%0.49732%0.316SS..Hα-helixtrans-62.6-47.3176.9179.60000112.3E108 F110 S115 T116E108-S112 VanDerWaalsContact O-CB 3.26Å; E108-S112 WeakPolarHBondContact O-CB 3.26Å; E108-S112 PolarHBondContact O-N 2.87Å; F110-S112 VanDerWaalsContact C-N 3.31Å; F110-S112 PolarHBondContact O-N 3.24Å; S112-S115 PolarHBondContact O-N 3.19Å; S112-T116 WeakPolarHBondContact O-CB 3.41Å; S112-T116 PolarHBondContact O-N 3.4Å; S112-T116 PolarHBondContact O-OG1 3.11Å
113R98.9Very high98.6Very high143 Ų14352.1 Ų52.154%0.5432%0.316SS..Hα-helixtrans-63.7-45.2178.6-72.4177.7-173.6-169.84.8112.1A109 F110 T116 A117 I140A109-R113 WeakPolarHBondContact O-CB 3.42Å; A109-R113 VanDerWaalsContact O-CG 3.28Å; A109-R113 WeakPolarHBondContact O-CG 3.4Å; A109-R113 PolarHBondContact O-N 2.93Å; F110-R113 PolarHBondContact O-N 3.23Å; R113-T116 PolarHBondContact O-N 2.88Å; R113-A117 WeakPolarHBondContact O-CB 3.41Å; R113-A117 PolarHBondContact O-N 2.91Å; R113-I140 HydrophobicContact CB-CD1 3.55Å
114L98.9Very high98.6Very high0 Ų051.8 Ų51.80%032%0.316CS..Hα-helixtrans-67.1-43.1179.9-178.859.3000110.6F110 T116 A117 C118 I140 L159 I161 W184F110-L114 HydrophobicContact CE2-CB 4.11Å; F110-L114 HydrophobicContact CE2-CD2 3.96Å; F110-L114 HydrophobicContact CZ-CB 4.49Å; F110-L114 HydrophobicContact CZ-CD2 3.76Å; F110-L114 PolarHBondContact O-N 3.48Å; L114-T116 VanDerWaalsContact C-N 3.33Å; L114-T116 PolarHBondContact O-N 3.23Å; L114-A117 WeakPolarHBondContact O-CB 3.49Å; L114-A117 PolarHBondContact O-N 2.97Å; L114-C118 PolarHBondContact O-N 3.48Å; L114-C118 PolarHBondContact O-SG 3.44Å; L114-I140 HydrophobicContact CB-CD1 4Å; L114-I140 HydrophobicContact CB-CG1 4.47Å; L114-I140 HydrophobicContact CD1-CG1 4.49Å; L114-I140 HydrophobicContact CD1-CG2 3.85Å; L114-L159 HydrophobicContact CD2-CD2 3.98Å; L114-I161 HydrophobicContact CD2-CD1 4.16Å; L114-I161 HydrophobicContact CG-CD1 4.4Å; L114-W184 HydrophobicContact CB-CH2 4.28Å; L114-W184 HydrophobicContact CB-CZ2 4.19Å; L114-W184 HydrophobicContact CD2-CH2 3.8Å; L114-W184 HydrophobicContact CD2-CZ2 4.1Å; L114-W184 HydrophobicContact CG-CH2 4.43Å; L114-W184 HydrophobicContact CG-CZ2 4.32Å
115S98.8Very high98.6Very high23 Ų2351 Ų5116%0.16131%0.313CS..Hα-helixtrans-60.7-43.4176.5-58.50000111.7K111 S112 A117 C118 V119 W184K111-S115 VanDerWaalsContact O-CB 3.22Å; K111-S115 WeakPolarHBondContact O-CB 2.77Å; K111-S115 PolarHBondContact O-N 2.71Å; K111-S115 PolarHBondContact O-OG 3.24Å; S112-S115 PolarHBondContact O-N 3.19Å; S115-A117 VanDerWaalsContact C-N 3.34Å; S115-A117 PolarHBondContact O-N 2.85Å; S115-C118 PolarHBondContact O-N 2.85Å; S115-V119 WeakPolarHBondContact O-CG2 3.41Å; S115-V119 PolarHBondContact O-N 2.99Å; S115-W184 PolarHBondContact OG-NE1 3.38Å
116T98.9Very high98.6Very high93 Ų9348.6 Ų48.657%0.57129%0.288SS*.Hα-helixtrans-60.1-45175.8-59.40000111.2S112 R113 L114 V119 G120S112-T116 WeakPolarHBondContact O-CB 3.41Å; S112-T116 PolarHBondContact O-N 3.4Å; S112-T116 PolarHBondContact O-OG1 3.11Å; R113-T116 PolarHBondContact O-N 2.88Å; L114-T116 VanDerWaalsContact C-N 3.33Å; L114-T116 PolarHBondContact O-N 3.23Å; T116-V119 PolarHBondContact O-N 3.11Å; T116-G120 PolarHBondContact O-N 2.99Å
117A98.8Very high98.6Very high25 Ų2546.2 Ų46.221%0.20727%0.271CS..Hα-helixtrans-61.9-44.5176.800000112.1R113 L114 S115 G120 V121 I140 T142R113-A117 WeakPolarHBondContact O-CB 3.41Å; R113-A117 PolarHBondContact O-N 2.91Å; L114-A117 WeakPolarHBondContact O-CB 3.49Å; L114-A117 PolarHBondContact O-N 2.97Å; S115-A117 VanDerWaalsContact C-N 3.34Å; S115-A117 PolarHBondContact O-N 2.85Å; A117-G120 PolarHBondContact O-N 3.37Å; A117-V121 PolarHBondContact O-N 2.8Å; A117-I140 HydrophobicContact CB-CG2 3.84Å; A117-T142 HydrophobicContact CB-CG2 3.88Å; A117-T142 WeakPolarHBondContact O-CG2 3.41Å
118C98.8Very high98.6Very high0 Ų045.2 Ų45.20%027%0.267CS..Hα-helixtrans-60.5-48.9177-660000112L114 S115 G120 V121 V163 V180L114-C118 PolarHBondContact O-N 3.48Å; L114-C118 PolarHBondContact O-SG 3.44Å; S115-C118 PolarHBondContact O-N 2.85Å; C118-G120 VanDerWaalsContact C-N 3.3Å; C118-G120 PolarHBondContact O-N 2.85Å; C118-V121 PolarHBondContact O-N 2.88Å; C118-V163 HydrophobicContact CB-CG1 3.89Å; C118-V180 HydrophobicContact CB-CG1 3.98Å; C118-V180 HydrophobicContact CB-CG2 3.95Å
119V98.7Very high98.6Very high55 Ų5540.1 Ų40.133%0.33324%0.243SC..Hα-helixtrans-62.9-40.6179.7170.70000110.9S115 T116 V121 R176 P177 V180S115-V119 WeakPolarHBondContact O-CG2 3.41Å; S115-V119 PolarHBondContact O-N 2.99Å; T116-V119 PolarHBondContact O-N 3.11Å; V119-V121 VanDerWaalsContact C-N 3.27Å; V119-V121 PolarHBondContact O-N 3.28Å; V119-R176 PolarHBondContact O-NH1 3.05Å; V119-P177 HydrophobicContact CG1-CG 3.96Å; V119-P177 HydrophobicContact CG2-CB 4.23Å; V119-P177 HydrophobicContact CG2-CG 4.17Å; V119-V180 HydrophobicContact CG2-CB 4.15Å; V119-V180 HydrophobicContact CG2-CG1 4.3Å; V119-V180 HydrophobicContact CG2-CG2 4.09Å
120G98.4Very high98.6Very high53 Ų5338.7 Ų38.755%0.54623%0.231SC..THydrogen-bonded Turntrans-74.6-2.2-176.400000116.3T116 A117 C118 Q122T116-G120 PolarHBondContact O-N 2.99Å; A117-G120 PolarHBondContact O-N 3.37Å; C118-G120 VanDerWaalsContact C-N 3.3Å; C118-G120 PolarHBondContact O-N 2.85Å; G120-Q122 PolarHBondContact O-N 2.82Å
121V98.6Very high98.6Very high15 Ų1539.3 Ų39.39%0.09123%0.233CC..  trans-59.2121.3175.9173.40000110.2A117 C118 V119 G123 T142 V163 R176A117-V121 PolarHBondContact O-N 2.8Å; C118-V121 PolarHBondContact O-N 2.88Å; V119-V121 VanDerWaalsContact C-N 3.27Å; V119-V121 PolarHBondContact O-N 3.28Å; V121-G123 PolarHBondContact O-N 3.36Å; V121-T142 HydrophobicContact CG2-CG2 3.84Å; V121-V163 HydrophobicContact CB-CG2 3.8Å; V121-V163 HydrophobicContact CG1-CG2 4.06Å; V121-V163 HydrophobicContact CG2-CG2 3.74Å; V121-R176 PolarHBondContact O-NH1 3.28Å
122Q97.1Very high98.6Very high191 Ų19137.9 Ų37.989%0.89323%0.229SC*.SBendtrans-82.5107.2176.7-66.8-177-28.100110.1G120G120-Q122 PolarHBondContact O-N 2.82Å
123G97.7Very high98.5Very high51 Ų5137.5 Ų37.553%0.52623%0.226SC..SBendtrans87.5-140.4-174.700000112.4V121 R176V121-G123 PolarHBondContact O-N 3.36Å; G123-R176 PolarHBondContact O-NH2 3.19Å
124S98.6Very high98.4Very high32 Ų3239.6 Ų39.622%0.22424%0.242CC..SBendtrans-88.2144.7179-68.20000111.2N145 W164S124-N145 PolarHBondContact O-N 2.98Å; S124-W164 VanDerWaalsContact CB-CD2 3.47Å; S124-W164 VanDerWaalsContact CB-CE2 3.41Å
125G98.7Very high98.3Very high0 Ų042.4 Ų42.40%026%0.261CS..EExtended strand (participates in β ladder)trans166.5-161178.700000114.5C143 N145 V163 W164G125-C143 CarbonylContact C-O 3.22Å; G125-C143 WeakPolarHBondContact CA-O 3.28Å; G125-N145 WeakPolarHBondContact CA-O 3.4Å; G125-V163 VanDerWaalsContact C-CG2 3.5Å; G125-V163 CarbonylContact O-C 3.58Å; G125-V163 WeakPolarHBondContact O-CG2 3.2Å; G125-V163 PolarHBondContact O-N 3.42Å; G125-W164 PolarHBondContact O-N 3.43Å
126W98.9Very high98.2Very high0 Ų047.8 Ų47.80%028%0.282CS..EExtended strand (participates in β ladder)trans-140144.9-172.7-64.177.2000110.8N76 H77 F80 W128 T142 C143 N145 I161 D162 W164N76-W126 HydrophobicContact CB-CD2 4.11Å; N76-W126 HydrophobicContact CB-CE3 4.3Å; N76-W126 HydrophobicContact CB-CH2 3.74Å; N76-W126 HydrophobicContact CB-CZ2 3.51Å; N76-W126 HydrophobicContact CB-CZ3 4.12Å; N76-W126 PolarHBondContact ND2-NE1 3.14Å; H77-W126 AromaticContact CE1-CZ2 3.51Å; H77-W126 AromaticContact ND1-CZ2 3.75Å; F80-W126 HydrophobicContact CB-CH2 4.12Å; F80-W126 HydrophobicContact CB-CZ3 3.94Å; F80-W126 HydrophobicContact CD2-CZ3 4.14Å; F80-W126 HydrophobicContact CG-CH2 4.35Å; F80-W126 HydrophobicContact CG-CZ3 4.12Å; W126-W128 HydrophobicContact CB-CZ2 4.31Å; W126-W128 HydrophobicContact CD2-CZ2 4.02Å; W126-W128 HydrophobicContact CE3-CH2 4.29Å; W126-W128 AromaticContact CE3-CZ2 3.73Å; W126-W128 HydrophobicContact CE3-CZ2 3.73Å; W126-W128 HydrophobicContact CG-CZ2 4.27Å; W126-W128 AromaticContact CG-NE1 3.86Å; W126-W128 HydrophobicContact CZ3-CZ2 4.42Å; W126-T142 VanDerWaalsContact O-CA 3.23Å; W126-T142 WeakPolarHBondContact O-CA 3.45Å; W126-C143 PolarHBondContact N-O 3.07Å; W126-C143 PolarHBondContact O-N 3.2Å; W126-N145 PolarHBondContact NE1-O 2.86Å; W126-I161 WeakPolarHBondContact CA-O 3.49Å; W126-D162 HydrophobicContact CD2-CB 4.28Å; W126-D162 HydrophobicContact CE3-CB 3.93Å; W126-D162 HydrophobicContact CH2-CB 3.5Å; W126-D162 VanDerWaalsContact CH2-CB 3.5Å; W126-D162 HydrophobicContact CZ2-CB 3.88Å; W126-D162 HydrophobicContact CZ3-CB 3.53Å; W126-W164 AromaticContact NE1-CD1 3.86Å; W126-W164 AromaticContact NE1-NE1 3.76Å
127G98.9Very high98.2Very high0 Ų045.2 Ų45.20%027%0.266CS..EExtended strand (participates in β ladder)trans-101.7139161.200000110.7I161G127-I161 PolarHBondContact N-O 2.74Å; G127-I161 PolarHBondContact O-N 2.74Å
128W98.9Very high98.2Very high0 Ų044.3 Ų44.30%026%0.258CS..EExtended strand (participates in β ladder)trans-131.3140.1-172.5-70.7100.2000112.4N76 I79 W126 I140 A141 L149 P157 L159N76-W128 HydrophobicContact CB-CH2 4.3Å; N76-W128 HydrophobicContact CB-CZ2 3.95Å; N76-W128 WeakPolarHBondContact OD1-CZ2 3.22Å; I79-W128 HydrophobicContact CB-CH2 4.47Å; I79-W128 HydrophobicContact CD1-CH2 4.42Å; I79-W128 HydrophobicContact CD1-CZ3 4.47Å; I79-W128 HydrophobicContact CG2-CH2 4.35Å; I79-W128 HydrophobicContact CG2-CZ3 4.01Å; W126-W128 HydrophobicContact CB-CZ2 4.31Å; W126-W128 HydrophobicContact CD2-CZ2 4.02Å; W126-W128 HydrophobicContact CE3-CH2 4.29Å; W126-W128 AromaticContact CE3-CZ2 3.73Å; W126-W128 HydrophobicContact CE3-CZ2 3.73Å; W126-W128 HydrophobicContact CG-CZ2 4.27Å; W126-W128 AromaticContact CG-NE1 3.86Å; W126-W128 HydrophobicContact CZ3-CZ2 4.42Å; W128-I140 WeakPolarHBondContact O-CA 3.34Å; W128-A141 PolarHBondContact N-O 3.15Å; W128-A141 PolarHBondContact O-N 3.47Å; W128-L149 HydrophobicContact CB-CD1 3.76Å; W128-L149 HydrophobicContact CB-CD2 3.75Å; W128-L149 HydrophobicContact CB-CG 4.24Å; W128-L149 HydrophobicContact CD2-CB 3.98Å; W128-L149 HydrophobicContact CD2-CD2 4.13Å; W128-L149 HydrophobicContact CD2-CG 4.45Å; W128-L149 HydrophobicContact CE3-CB 4.44Å; W128-L149 HydrophobicContact CE3-CD2 4.19Å; W128-L149 HydrophobicContact CG-CB 4.06Å; W128-L149 HydrophobicContact CG-CD1 3.84Å; W128-L149 HydrophobicContact CG-CD2 3.96Å; W128-L149 HydrophobicContact CG-CG 4.14Å; W128-P157 HydrophobicContact CE3-CB 3.91Å; W128-P157 HydrophobicContact CZ3-CB 3.73Å; W128-L159 CarbonylContact C-O 3.46Å; W128-L159 WeakPolarHBondContact CA-O 3.44Å
129L98.9Very high98.2Very high0 Ų047.7 Ų47.70%027%0.274CS..EExtended strand (participates in β ladder)trans-94.7123150.2175.765.2000108.2L96 F104 F110 L138 L158 L159 V192L96-L129 HydrophobicContact CD1-CD2 4.34Å; F104-L129 HydrophobicContact CE2-CD1 3.99Å; F104-L129 HydrophobicContact CZ-CD1 4.07Å; F110-L129 HydrophobicContact CD2-CD1 4.46Å; F110-L129 HydrophobicContact CE2-CB 4.2Å; F110-L129 HydrophobicContact CE2-CD1 3.79Å; F110-L129 HydrophobicContact CE2-CD2 4.03Å; F110-L129 HydrophobicContact CE2-CG 4.21Å; F110-L129 HydrophobicContact CZ-CB 4.35Å; F110-L129 HydrophobicContact CZ-CD1 4.46Å; F110-L129 HydrophobicContact CZ-CD2 3.85Å; F110-L129 HydrophobicContact CZ-CG 4.44Å; L129-L138 HydrophobicContact CD1-CB 3.95Å; L129-L138 HydrophobicContact CD1-CD1 4.36Å; L129-L138 HydrophobicContact CD1-CD2 4.24Å; L129-L138 HydrophobicContact CD1-CG 4.42Å; L129-L158 HydrophobicContact CD2-CB 4.38Å; L129-L158 HydrophobicContact CD2-CD1 4.31Å; L129-L158 HydrophobicContact CG-CB 4.31Å; L129-L158 HydrophobicContact CG-CD1 4.22Å; L129-L158 WeakPolarHBondContact O-CB 3.44Å; L129-L158 PolarHBondContact O-N 3.25Å; L129-L159 HydrophobicContact CB-CB 4.06Å; L129-L159 PolarHBondContact N-O 3.34Å; L129-L159 PolarHBondContact O-N 2.9Å; L129-V192 HydrophobicContact CD2-CG1 4.44Å
130G98.8Very high98.2Very high0 Ų047.3 Ų47.30%027%0.269CS..EExtended strand (participates in β ladder)trans-125.7155.4176.300000112.9L138 Q139 V156G130-L138 WeakPolarHBondContact O-CA 3.42Å; G130-Q139 PolarHBondContact N-O 3.08Å; G130-Q139 PolarHBondContact O-N 2.79Å; G130-V156 CarbonylContact C-O 3.58Å; G130-V156 WeakPolarHBondContact CA-O 3.33Å
131Y98.8Very high98.2Very high14 Ų1445.8 Ų45.86%0.05525%0.251CS..EExtended strand (participates in β ladder)trans-97.6126.5171.2-177.7-108.3000110.5K136 L138 L155 V156 F196 A199Y131-K136 WeakPolarHBondContact OH-CA 3.47Å; Y131-K136 WeakPolarHBondContact OH-CB 3.47Å; Y131-L138 HydrophobicContact CD2-CD2 4.29Å; Y131-L155 WeakPolarHBondContact O-CA 3.35Å; Y131-V156 PolarHBondContact N-O 2.8Å; Y131-V156 PolarHBondContact O-N 3.33Å; Y131-F196 HydrophobicContact CD2-CD2 4.23Å; Y131-F196 AromaticContact CD2-CE2 3.84Å; Y131-F196 HydrophobicContact CD2-CE2 3.84Å; Y131-F196 AromaticContact CE2-CE2 3.97Å; Y131-F196 HydrophobicContact CE2-CE2 3.97Å; Y131-A199 HydrophobicContact CD1-CB 3.78Å; Y131-A199 HydrophobicContact CE1-CB 4.48Å; Y131-A199 WeakPolarHBondContact CE1-O 3.26Å; Y131-A199 HydrophobicContact CG-CB 4.17Å
132N98.4Very high98.2Very high30 Ų3048.5 Ų48.516%0.1627%0.268CS..EExtended strand (participates in β ladder)trans-90.3105.4171-172.5-42.7000109.4Q134 S135 K136 T137 Q139 L155N132-Q134 PolarHBondContact O-N 3.22Å; N132-Q134 WeakPolarHBondContact OD1-CB 3.49Å; N132-Q134 PolarHBondContact OD1-N 2.81Å; N132-S135 VanDerWaalsContact CB-OG 3.31Å; N132-S135 WeakPolarHBondContact CB-OG 3.41Å; N132-S135 PolarHBondContact OD1-N 3.01Å; N132-S135 PolarHBondContact OD1-OG 3.01Å; N132-K136 VanDerWaalsContact O-CA 3.22Å; N132-K136 WeakPolarHBondContact O-CA 3.41Å; N132-K136 PolarHBondContact O-N 3.45Å; N132-T137 WeakPolarHBondContact CB-O 3.38Å; N132-T137 PolarHBondContact N-O 3.27Å; N132-T137 PolarHBondContact O-N 3.06Å; N132-Q139 HydrophobicContact CB-CG 4.31Å; N132-Q139 PolarHBondContact ND2-NE2 3.28Å; N132-Q139 PolarHBondContact ND2-OE1 3.43Å; N132-L155 HydrophobicContact CB-CD2 3.58Å
133S96.2Very high98.3Very high63 Ų6339.6 Ų39.644%0.44123%0.227SC..THydrogen-bonded Turntrans-68.3-20-177.4-52.10000114
134Q95.7Very high98.3Very high186 Ų18639.6 Ų39.687%0.86922%0.222SC*.THydrogen-bonded Turntrans-78.5-51.3177.7-60.7-179.313.500111.1N132 K136N132-Q134 PolarHBondContact O-N 3.22Å; N132-Q134 WeakPolarHBondContact OD1-CB 3.49Å; N132-Q134 PolarHBondContact OD1-N 2.81Å; Q134-K136 VanDerWaalsContact C-N 3.34Å
135S97.2Very high98.3Very high59 Ų5941.8 Ų41.841%0.41323%0.231SC..THydrogen-bonded Turntrans-83.1-11.5178.861.40000113.5N132 T137N132-S135 VanDerWaalsContact CB-OG 3.31Å; N132-S135 WeakPolarHBondContact CB-OG 3.41Å; N132-S135 PolarHBondContact OD1-N 3.01Å; N132-S135 PolarHBondContact OD1-OG 3.01Å; S135-T137 PolarHBondContact O-N 2.83Å; S135-T137 PolarHBondContact OG-OG1 2.87Å
136K97.3Very high98.3Very high137 Ų13741.8 Ų41.860%0.59623%0.231SC*.THydrogen-bonded Turntrans58.134-174.1-55.4-176.7179.5-176.30113.2R102 Y131 N132 Q134R102-K136 PolarHBondContact NH1-O 3.03Å; R102-K136 PolarHBondContact NH2-O 2.89Å; Y131-K136 WeakPolarHBondContact OH-CA 3.47Å; Y131-K136 WeakPolarHBondContact OH-CB 3.47Å; N132-K136 VanDerWaalsContact O-CA 3.22Å; N132-K136 WeakPolarHBondContact O-CA 3.41Å; N132-K136 PolarHBondContact O-N 3.45Å; Q134-K136 VanDerWaalsContact C-N 3.34Å
137T98.3Very high98.3Very high38 Ų3843.4 Ų43.423%0.23324%0.24CC..EExtended strand (participates in β ladder)trans-122.8155.2-178.258.70000113N132 S135N132-T137 WeakPolarHBondContact CB-O 3.38Å; N132-T137 PolarHBondContact N-O 3.27Å; N132-T137 PolarHBondContact O-N 3.06Å; S135-T137 PolarHBondContact O-N 2.83Å; S135-T137 PolarHBondContact OG-OG1 2.87Å
138L98.9Very high98.2Very high6 Ų643.7 Ų43.73%0.03124%0.242CC..EExtended strand (participates in β ladder)trans-76.7141.5167.8-62.4179.1000110.1L96 A99 I100 D103 F104 L129 G130 Y131 L158 F196L96-L138 HydrophobicContact CD1-CD1 4.09Å; L96-L138 HydrophobicContact CD1-CD2 4.49Å; A99-L138 HydrophobicContact CB-CD1 3.73Å; A99-L138 HydrophobicContact CB-CG 4.16Å; I100-L138 HydrophobicContact CB-CD1 4.41Å; I100-L138 HydrophobicContact CG1-CD1 3.61Å; D103-L138 HydrophobicContact CB-CB 4.18Å; D103-L138 WeakPolarHBondContact OD2-CB 3.18Å; D103-L138 PolarHBondContact OD2-N 3.4Å; F104-L138 HydrophobicContact CE2-CB 3.61Å; F104-L138 HydrophobicContact CE2-CD1 4.07Å; F104-L138 HydrophobicContact CZ-CB 3.96Å; L129-L138 HydrophobicContact CD1-CB 3.95Å; L129-L138 HydrophobicContact CD1-CD1 4.36Å; L129-L138 HydrophobicContact CD1-CD2 4.24Å; L129-L138 HydrophobicContact CD1-CG 4.42Å; G130-L138 WeakPolarHBondContact O-CA 3.42Å; Y131-L138 HydrophobicContact CD2-CD2 4.29Å; L138-L158 HydrophobicContact CD2-CD1 3.45Å; L138-L158 VanDerWaalsContact CD2-CD1 3.45Å; L138-F196 HydrophobicContact CD2-CD2 3.9Å; L138-F196 HydrophobicContact CD2-CE2 3.91Å
139Q98.8Very high98.2Very high72 Ų7243.8 Ų43.834%0.33624%0.242SC..EExtended strand (participates in β ladder)trans-137.2145.3177.4-65.1-172.7-1500110.2G130 N132 L155G130-Q139 PolarHBondContact N-O 3.08Å; G130-Q139 PolarHBondContact O-N 2.79Å; N132-Q139 HydrophobicContact CB-CG 4.31Å; N132-Q139 PolarHBondContact ND2-NE2 3.28Å; N132-Q139 PolarHBondContact ND2-OE1 3.43Å; Q139-L155 HydrophobicContact CB-CD1 3.83Å; Q139-L155 HydrophobicContact CB-CD2 4.27Å; Q139-L155 VanDerWaalsContact OE1-CD2 3.23Å
140I98.9Very high98.2Very high46 Ų4648.6 Ų48.624%0.23627%0.265CS..EExtended strand (participates in β ladder)trans-97.9133171.3-66.1169.6000107.7F104 F110 R113 L114 A117 W128F104-I140 HydrophobicContact CD1-CD1 4.21Å; F104-I140 HydrophobicContact CE1-CD1 3.63Å; F104-I140 HydrophobicContact CE1-CG1 3.74Å; F104-I140 HydrophobicContact CZ-CD1 4.09Å; F104-I140 HydrophobicContact CZ-CG1 3.82Å; F110-I140 HydrophobicContact CD2-CD1 4.05Å; F110-I140 HydrophobicContact CD2-CG1 4.48Å; F110-I140 HydrophobicContact CE2-CD1 4.34Å; F110-I140 HydrophobicContact CE2-CG1 4.41Å; R113-I140 HydrophobicContact CB-CD1 3.55Å; L114-I140 HydrophobicContact CB-CD1 4Å; L114-I140 HydrophobicContact CB-CG1 4.47Å; L114-I140 HydrophobicContact CD1-CG1 4.49Å; L114-I140 HydrophobicContact CD1-CG2 3.85Å; A117-I140 HydrophobicContact CB-CG2 3.84Å; W128-I140 WeakPolarHBondContact O-CA 3.34Å
141A98.8Very high98.1Very high21 Ų2153.5 Ų53.517%0.17430%0.297CS..EExtended strand (participates in β ladder)trans-139.2162.9175.500000110.3W128 L149 L155W128-A141 PolarHBondContact N-O 3.15Å; W128-A141 PolarHBondContact O-N 3.47Å; A141-L149 HydrophobicContact CB-CD1 3.85Å; A141-L155 HydrophobicContact CB-CD1 4.05Å
142T98.8Very high98Very high73 Ų7355.7 Ų55.745%0.44831%0.311SS..EExtended strand (participates in β ladder)trans-119.1148.2166.855.40000109.4A117 V121 W126A117-T142 HydrophobicContact CB-CG2 3.88Å; A117-T142 WeakPolarHBondContact O-CG2 3.41Å; V121-T142 HydrophobicContact CG2-CG2 3.84Å; W126-T142 VanDerWaalsContact O-CA 3.23Å; W126-T142 WeakPolarHBondContact O-CA 3.45Å
143C98.7Very high98Very high3 Ų357 Ų572%0.0232%0.321CS..EExtended strand (participates in β ladder)trans-124.5132.8173.7-65.60000108.9G125 W126 D147G125-C143 CarbonylContact C-O 3.22Å; G125-C143 WeakPolarHBondContact CA-O 3.28Å; W126-C143 PolarHBondContact N-O 3.07Å; W126-C143 PolarHBondContact O-N 3.2Å; C143-D147 HydrophobicContact CB-CB 4.08Å; C143-D147 VanDerWaalsContact CB-O 3.29Å; C143-D147 WeakPolarHBondContact CB-O 3.31Å
144A98.3Very high98.1Very high52 Ų5256.5 Ų56.543%0.4333%0.325SS..EExtended strand (participates in β ladder)trans-76.4150.7176.400000110.6Q146 D147A144-Q146 PolarHBondContact O-N 3.06Å; A144-D147 VanDerWaalsContact O-CB 3.28Å; A144-D147 WeakPolarHBondContact O-CB 3.27Å; A144-D147 PolarHBondContact O-N 2.81Å
145N98.3Very high98.2Very high78 Ų7847.9 Ų47.942%0.41729%0.285SS..THydrogen-bonded Turntrans50.6-126.3179.1-57.5-45.6000111.8F69 S124 G125 W126 W164F69-N145 HydrophobicContact CE2-CB 4.45Å; S124-N145 PolarHBondContact O-N 2.98Å; G125-N145 WeakPolarHBondContact CA-O 3.4Å; W126-N145 PolarHBondContact NE1-O 2.86Å; N145-W164 HydrophobicContact CB-CZ2 3.98Å; N145-W164 PolarHBondContact O-NE1 3.19Å
146Q98.6Very high98.3Very high0 Ų046.6 Ų46.60%028%0.275CS..THydrogen-bonded Turntrans-106.120.7177.6-66.3-57.5-1100112.5Y37 F69 G72 N76 A144 P148 W164Y37-Q146 HydrophobicContact CE1-CG 3.8Å; Y37-Q146 VanDerWaalsContact CZ-NE2 3.34Å; Y37-Q146 PolarHBondContact OH-NE2 2.88Å; F69-Q146 HydrophobicContact CD2-CB 3.91Å; F69-Q146 HydrophobicContact CD2-CG 4.07Å; F69-Q146 HydrophobicContact CE2-CB 4.09Å; F69-Q146 HydrophobicContact CE2-CG 3.73Å; F69-Q146 HydrophobicContact CZ-CG 4.13Å; F69-Q146 VanDerWaalsContact O-CB 3.23Å; F69-Q146 WeakPolarHBondContact O-CB 3.12Å; G72-Q146 CarbonylContact C-O 3.55Å; G72-Q146 WeakPolarHBondContact CA-O 3.44Å; N76-Q146 PolarHBondContact ND2-O 3.41Å; A144-Q146 PolarHBondContact O-N 3.06Å; Q146-P148 WeakPolarHBondContact O-CD 3.46Å; Q146-W164 HydrophobicContact CG-CZ2 3.77Å
147D98.4Very high98.4Very high33 Ų3340.7 Ų40.718%0.17625%0.251CS..  trans-57.7124.3178.7-773.5000110.3K68 N76 C143 A144 T152K68-D147 WeakPolarHBondContact CE-OD1 3.36Å; K68-D147 WeakPolarHBondContact CE-OD2 3.39Å; K68-D147 IonicContact NZ-OD1 3.11Å; K68-D147 PolarHBondContact NZ-OD1 2.98Å; K68-D147 VanDerWaalsContact NZ-OD1 3.11Å; K68-D147 IonicContact NZ-OD2 2.66Å; K68-D147 PolarHBondContact NZ-OD2 3.01Å; N76-D147 PolarHBondContact ND2-O 3.42Å; C143-D147 HydrophobicContact CB-CB 4.08Å; C143-D147 VanDerWaalsContact CB-O 3.29Å; C143-D147 WeakPolarHBondContact CB-O 3.31Å; A144-D147 VanDerWaalsContact O-CB 3.28Å; A144-D147 WeakPolarHBondContact O-CB 3.27Å; A144-D147 PolarHBondContact O-N 2.81Å; D147-T152 HydrophobicContact CB-CG2 4.49Å
148P98.1Very high98.4Very high7 Ų738.9 Ų38.95%0.04524%0.239CC..  trans-77137.6-18027.9-29.1000110.3I75 N76 Q146 Q150 P151 T152I75-P148 HydrophobicContact CD1-CB 4.35Å; I75-P148 HydrophobicContact CG2-CB 4.41Å; N76-P148 WeakPolarHBondContact OD1-CA 3.37Å; Q146-P148 WeakPolarHBondContact O-CD 3.46Å; P148-Q150 PolarHBondContact O-N 3.16Å; P148-P151 HydrophobicContact CB-CG 4.23Å; P148-P151 HydrophobicContact CG-CB 4.17Å; P148-P151 HydrophobicContact CG-CG 3.78Å; P148-P151 WeakPolarHBondContact O-CD 3.23Å; P148-T152 WeakPolarHBondContact O-CB 3.22Å; P148-T152 PolarHBondContact O-N 2.85Å; P148-T152 PolarHBondContact O-OG1 2.85Å
149L98.7Very high98.4Very high2 Ų238.6 Ų38.61%0.0124%0.238CC..Hα-helixtrans-55.1-53.2-171.4-179.169.1000112.8W128 A141 T152 T153 L155 P157W128-L149 HydrophobicContact CB-CD1 3.76Å; W128-L149 HydrophobicContact CB-CD2 3.75Å; W128-L149 HydrophobicContact CB-CG 4.24Å; W128-L149 HydrophobicContact CD2-CB 3.98Å; W128-L149 HydrophobicContact CD2-CD2 4.13Å; W128-L149 HydrophobicContact CD2-CG 4.45Å; W128-L149 HydrophobicContact CE3-CB 4.44Å; W128-L149 HydrophobicContact CE3-CD2 4.19Å; W128-L149 HydrophobicContact CG-CB 4.06Å; W128-L149 HydrophobicContact CG-CD1 3.84Å; W128-L149 HydrophobicContact CG-CD2 3.96Å; W128-L149 HydrophobicContact CG-CG 4.14Å; A141-L149 HydrophobicContact CB-CD1 3.85Å; L149-T152 PolarHBondContact O-N 2.88Å; L149-T153 HydrophobicContact CD1-CG2 4.02Å; L149-T153 WeakPolarHBondContact CD1-OG1 3.13Å; L149-T153 WeakPolarHBondContact O-CB 3.28Å; L149-T153 PolarHBondContact O-N 2.84Å; L149-T153 PolarHBondContact O-OG1 3.43Å; L149-L155 HydrophobicContact CD1-CB 4.41Å; L149-L155 HydrophobicContact CD1-CD1 4.43Å; L149-L155 HydrophobicContact CD2-CB 3.94Å; L149-L155 HydrophobicContact CG-CB 4.04Å; L149-P157 HydrophobicContact CB-CB 4.29Å; L149-P157 HydrophobicContact CD2-CB 3.92Å
150Q98.1Very high98.4Very high100 Ų10035.2 Ų35.247%0.46722%0.222SC..Hα-helixtrans-67.5-49-171.7-176.4175.4-0.100113.3P148 T152 G154 L155P148-Q150 PolarHBondContact O-N 3.16Å; Q150-T152 PolarHBondContact O-N 2.84Å; Q150-G154 VanDerWaalsContact O-CA 3.23Å; Q150-G154 WeakPolarHBondContact O-CA 3.11Å; Q150-G154 PolarHBondContact O-N 3.06Å; Q150-L155 WeakPolarHBondContact CA-O 3.22Å; Q150-L155 WeakPolarHBondContact CB-O 3.37Å; Q150-L155 PolarHBondContact N-O 2.99Å
151P96.8Very high98.4Very high103 Ų10333 Ų3367%0.66921%0.211SC*.Hα-helixtrans-64-22.7174.7-23.535.8000113.9P148P148-P151 HydrophobicContact CB-CG 4.23Å; P148-P151 HydrophobicContact CG-CB 4.17Å; P148-P151 HydrophobicContact CG-CG 3.78Å; P148-P151 WeakPolarHBondContact O-CD 3.23Å
152T97.9Very high98.4Very high60 Ų6032 Ų3237%0.36820%0.202SC..Hα-helixtrans-87.8-36.4-178.1-54.80000112.9D147 P148 L149 Q150D147-T152 HydrophobicContact CB-CG2 4.49Å; P148-T152 WeakPolarHBondContact O-CB 3.22Å; P148-T152 PolarHBondContact O-N 2.85Å; P148-T152 PolarHBondContact O-OG1 2.85Å; L149-T152 PolarHBondContact O-N 2.88Å; Q150-T152 PolarHBondContact O-N 2.84Å
153T98Very high98.4Very high59 Ų5928.5 Ų28.536%0.36218%0.181SC..Hα-helixtrans-125.5-12.7-168.766.60000114.1L149 L155L149-T153 HydrophobicContact CD1-CG2 4.02Å; L149-T153 WeakPolarHBondContact CD1-OG1 3.13Å; L149-T153 WeakPolarHBondContact O-CB 3.28Å; L149-T153 PolarHBondContact O-N 2.84Å; L149-T153 PolarHBondContact O-OG1 3.43Å; T153-L155 PolarHBondContact O-N 3.5Å; T153-L155 WeakPolarHBondContact OG1-CB 3.41Å; T153-L155 WeakPolarHBondContact OG1-CG 3.23Å; T153-L155 PolarHBondContact OG1-N 3.36Å
154G97.9Very high98.4Very high51 Ų5130.3 Ų30.353%0.52619%0.187SC..SBendtrans78.6-3.8-169.300000114.6Q150Q150-G154 VanDerWaalsContact O-CA 3.23Å; Q150-G154 WeakPolarHBondContact O-CA 3.11Å; Q150-G154 PolarHBondContact O-N 3.06Å
155L98.6Very high98.4Very high5 Ų532.8 Ų32.83%0.02619%0.19CC..PPolyproline II helixtrans-82.7131.1-179.1-54.4178.8000111.8Y131 N132 Q139 A141 L149 Q150 T153 P157Y131-L155 WeakPolarHBondContact O-CA 3.35Å; N132-L155 HydrophobicContact CB-CD2 3.58Å; Q139-L155 HydrophobicContact CB-CD1 3.83Å; Q139-L155 HydrophobicContact CB-CD2 4.27Å; Q139-L155 VanDerWaalsContact OE1-CD2 3.23Å; A141-L155 HydrophobicContact CB-CD1 4.05Å; L149-L155 HydrophobicContact CD1-CB 4.41Å; L149-L155 HydrophobicContact CD1-CD1 4.43Å; L149-L155 HydrophobicContact CD2-CB 3.94Å; L149-L155 HydrophobicContact CG-CB 4.04Å; Q150-L155 WeakPolarHBondContact CA-O 3.22Å; Q150-L155 WeakPolarHBondContact CB-O 3.37Å; Q150-L155 PolarHBondContact N-O 2.99Å; T153-L155 PolarHBondContact O-N 3.5Å; T153-L155 WeakPolarHBondContact OG1-CB 3.41Å; T153-L155 WeakPolarHBondContact OG1-CG 3.23Å; T153-L155 PolarHBondContact OG1-N 3.36Å; L155-P157 WeakPolarHBondContact O-CD 3.37Å
156V98.5Very high98.5Very high32 Ų3230.9 Ų30.919%0.19418%0.179CC..EExtended strand (participates in β ladder)trans-71.9123174.1-1760000109G130 Y131 L158 A199G130-V156 CarbonylContact C-O 3.58Å; G130-V156 WeakPolarHBondContact CA-O 3.33Å; Y131-V156 PolarHBondContact N-O 2.8Å; Y131-V156 PolarHBondContact O-N 3.33Å; V156-L158 PolarHBondContact O-N 3.46Å; V156-A199 HydrophobicContact CB-CB 4.1Å; V156-A199 HydrophobicContact CG1-CB 3.8Å; V156-A199 HydrophobicContact CG2-CB 4.46Å
157P98.7Very high98.5Very high14 Ų1431 Ų319%0.09118%0.179CC..EExtended strand (participates in β ladder)trans-72.1127.8-174.728.1-35.6000112.4I79 W128 L149 L155I79-P157 HydrophobicContact CD1-CB 3.81Å; I79-P157 HydrophobicContact CD1-CG 3.49Å; I79-P157 VanDerWaalsContact CD1-CG 3.49Å; W128-P157 HydrophobicContact CE3-CB 3.91Å; W128-P157 HydrophobicContact CZ3-CB 3.73Å; L149-P157 HydrophobicContact CB-CB 4.29Å; L149-P157 HydrophobicContact CD2-CB 3.92Å; L155-P157 WeakPolarHBondContact O-CD 3.37Å
158L98.8Very high98.5Very high0 Ų029.6 Ų29.60%017%0.172CC..EExtended strand (participates in β ladder)trans-110-54.2178.2-51.8-175000111.6N83 L129 L138 V156 V192 R195 F196 A199N83-L158 PolarHBondContact ND2-O 3.46Å; N83-L158 PolarHBondContact OD1-O 2.9Å; L129-L158 HydrophobicContact CD2-CB 4.38Å; L129-L158 HydrophobicContact CD2-CD1 4.31Å; L129-L158 HydrophobicContact CG-CB 4.31Å; L129-L158 HydrophobicContact CG-CD1 4.22Å; L129-L158 WeakPolarHBondContact O-CB 3.44Å; L129-L158 PolarHBondContact O-N 3.25Å; L138-L158 HydrophobicContact CD2-CD1 3.45Å; L138-L158 VanDerWaalsContact CD2-CD1 3.45Å; V156-L158 PolarHBondContact O-N 3.46Å; L158-V192 HydrophobicContact CB-CG1 3.97Å; L158-R195 HydrophobicContact CD2-CB 3.91Å; L158-R195 WeakPolarHBondContact O-CD 3.42Å; L158-F196 HydrophobicContact CD1-CB 4.13Å; L158-F196 HydrophobicContact CD1-CD2 3.92Å; L158-F196 HydrophobicContact CD1-CG 4.49Å; L158-F196 HydrophobicContact CD2-CB 4.35Å; L158-A199 HydrophobicContact CD2-CB 4.33Å
159L98.9Very high98.5Very high0 Ų034.2 Ų34.20%019%0.189CC..EExtended strand (participates in β ladder)trans-131125.2177.2168.364.5000109.4N83 L114 W128 L129 I187 W189 V192N83-L159 HydrophobicContact CB-CD1 3.96Å; N83-L159 VanDerWaalsContact OD1-CA 3.23Å; N83-L159 WeakPolarHBondContact OD1-CA 3.44Å; L114-L159 HydrophobicContact CD2-CD2 3.98Å; W128-L159 CarbonylContact C-O 3.46Å; W128-L159 WeakPolarHBondContact CA-O 3.44Å; L129-L159 HydrophobicContact CB-CB 4.06Å; L129-L159 PolarHBondContact N-O 3.34Å; L129-L159 PolarHBondContact O-N 2.9Å; L159-I187 HydrophobicContact CD1-CD1 3.8Å; L159-I187 HydrophobicContact CD1-CG2 4.05Å; L159-I187 HydrophobicContact CD2-CG2 4.25Å; L159-W189 HydrophobicContact CD2-CH2 3.97Å; L159-W189 HydrophobicContact CD2-CZ3 4.24Å; L159-V192 HydrophobicContact CB-CG1 4.07Å; L159-V192 HydrophobicContact CB-CG2 4.03Å; L159-V192 HydrophobicContact CD1-CG2 4.34Å
160G98.9Very high98.5Very high0 Ų037.7 Ų37.70%021%0.207CC..EExtended strand (participates in β ladder)trans-116138.5172.100000112.2F80 N83F80-G160 WeakPolarHBondContact CD2-O 3.25Å; N83-G160 PolarHBondContact OD1-N 2.83Å
161I98.9Very high98.5Very high0 Ų036 Ų360%020%0.199CC..EExtended strand (participates in β ladder)trans-118114.9172.3-62.9173000107.7L114 W126 G127 V163 Y179 I183 W184L114-I161 HydrophobicContact CD2-CD1 4.16Å; L114-I161 HydrophobicContact CG-CD1 4.4Å; W126-I161 WeakPolarHBondContact CA-O 3.49Å; G127-I161 PolarHBondContact N-O 2.74Å; G127-I161 PolarHBondContact O-N 2.74Å; I161-V163 HydrophobicContact CG2-CG1 4.1Å; I161-V163 PolarHBondContact O-N 2.88Å; I161-Y179 HydrophobicContact CG2-CE1 4.31Å; I161-I183 HydrophobicContact CD1-CG2 4.15Å; I161-I183 HydrophobicContact CG1-CG2 4.49Å; I161-I183 HydrophobicContact CG2-CD1 4.17Å; I161-I183 HydrophobicContact CG2-CG2 4.35Å; I161-W184 HydrophobicContact CD1-CZ2 4.46Å
162D98.9Very high98.6Very high0 Ų032.9 Ų32.90%017%0.174CC..EExtended strand (participates in β ladder)trans-70.6121.2174.2-167.2-8.9000109.4H29 H77 F80 W126 W164 H166 A167 Y179H29-D162 IonicContact CE1-OD2 2.87Å; H29-D162 PolarHBondContact CE1-OD2 2.96Å; H29-D162 IonicContact NE2-OD2 3.61Å; H29-D162 PolarHBondContact NE2-OD2 3.04Å; H77-D162 IonicContact NE2-OD2 3.46Å; H77-D162 PolarHBondContact NE2-OD2 3.38Å; F80-D162 HydrophobicContact CE2-CB 4.32Å; F80-D162 HydrophobicContact CZ-CB 4.28Å; W126-D162 HydrophobicContact CD2-CB 4.28Å; W126-D162 HydrophobicContact CE3-CB 3.93Å; W126-D162 HydrophobicContact CH2-CB 3.5Å; W126-D162 VanDerWaalsContact CH2-CB 3.5Å; W126-D162 HydrophobicContact CZ2-CB 3.88Å; W126-D162 HydrophobicContact CZ3-CB 3.53Å; D162-W164 VanDerWaalsContact OD1-CB 3.23Å; D162-W164 WeakPolarHBondContact OD1-CB 3.31Å; D162-W164 PolarHBondContact OD1-N 2.72Å; D162-H166 IonicContact OD2-CD2 3.03Å; D162-H166 IonicContact OD2-NE2 3.11Å; D162-H166 PolarHBondContact OD2-NE2 2.83Å; D162-A167 HydrophobicContact CB-CB 3.97Å; D162-Y179 WeakPolarHBondContact O-CE1 3.49Å; D162-Y179 PolarHBondContact O-OH 2.83Å
163V98.8Very high98.6Very high0 Ų035.1 Ų35.10%018%0.179CC..  trans-118.219.4174.1-62.40000112.6C118 V121 G125 I161 R176 V180C118-V163 HydrophobicContact CB-CG1 3.89Å; V121-V163 HydrophobicContact CB-CG2 3.8Å; V121-V163 HydrophobicContact CG1-CG2 4.06Å; V121-V163 HydrophobicContact CG2-CG2 3.74Å; G125-V163 VanDerWaalsContact C-CG2 3.5Å; G125-V163 CarbonylContact O-C 3.58Å; G125-V163 WeakPolarHBondContact O-CG2 3.2Å; G125-V163 PolarHBondContact O-N 3.42Å; I161-V163 HydrophobicContact CG2-CG1 4.1Å; I161-V163 PolarHBondContact O-N 2.88Å; V163-R176 PolarHBondContact O-NH2 2.77Å; V163-V180 HydrophobicContact CG1-CG2 4.16Å
164W98.8Very high98.6Very high40 Ų4038.1 Ų38.115%0.15219%0.193CC..SBendtrans-59.4144.4157.8-76.667000110.1F69 S124 G125 W126 N145 Q146 D162 H166 A167 Y168F69-W164 AromaticContact CE2-CH2 3.88Å; F69-W164 HydrophobicContact CE2-CH2 3.88Å; F69-W164 HydrophobicContact CE2-CZ2 4.01Å; F69-W164 HydrophobicContact CZ-CH2 4.05Å; F69-W164 HydrophobicContact CZ-CZ2 4.49Å; S124-W164 VanDerWaalsContact CB-CD2 3.47Å; S124-W164 VanDerWaalsContact CB-CE2 3.41Å; G125-W164 PolarHBondContact O-N 3.43Å; W126-W164 AromaticContact NE1-CD1 3.86Å; W126-W164 AromaticContact NE1-NE1 3.76Å; N145-W164 HydrophobicContact CB-CZ2 3.98Å; N145-W164 PolarHBondContact O-NE1 3.19Å; Q146-W164 HydrophobicContact CG-CZ2 3.77Å; D162-W164 VanDerWaalsContact OD1-CB 3.23Å; D162-W164 WeakPolarHBondContact OD1-CB 3.31Å; D162-W164 PolarHBondContact OD1-N 2.72Å; W164-H166 WeakPolarHBondContact CB-CE1 3.41Å; W164-H166 AromaticContact CD2-CE1 3.72Å; W164-H166 AromaticContact CE3-CE1 3.74Å; W164-H166 AromaticContact CE3-ND1 3.79Å; W164-H166 AromaticContact CG-CE1 3.55Å; W164-H166 PolarHBondContact O-N 3.31Å; W164-A167 VanDerWaalsContact O-CB 3.31Å; W164-A167 WeakPolarHBondContact O-CB 3.3Å; W164-A167 PolarHBondContact O-N 2.79Å; W164-Y168 WeakPolarHBondContact O-CD1 3.38Å; W164-Y168 WeakPolarHBondContact O-CE1 3.24Å
165E98.7Very high98.7Very high105 Ų10538.2 Ų38.249%0.49118%0.183SC..G310 helixtrans-59.6-35.4-177.2-67.7-173.2127.900112A167 Y168 Y169E165-A167 PolarHBondContact O-N 3.04Å; E165-Y168 PolarHBondContact O-N 3.23Å; E165-Y169 HydrophobicContact CB-CD2 3.97Å; E165-Y169 HydrophobicContact CG-CD2 4.18Å; E165-Y169 WeakPolarHBondContact O-CB 3.39Å; E165-Y169 PolarHBondContact O-N 3.08Å
166H98.6Very high98.6Very high37 Ų3739.5 Ų39.517%0.17119%0.188CC..G310 helixtrans-57.1-23.7177.164.3-117.1000113.8H29 H33 H77 D162 W164 Y168H29-H166 AromaticContact CD2-CD2 3.59Å; H29-H166 AromaticContact CD2-NE2 3.66Å; H29-H166 AromaticContact CE1-CD2 3.89Å; H29-H166 AromaticContact CE1-NE2 3.95Å; H29-H166 AromaticContact NE2-CD2 3.46Å; H29-H166 PolarHBondContact NE2-CD2 3.32Å; H29-H166 AromaticContact NE2-NE2 3.23Å; H29-H166 PolarHBondContact NE2-NE2 3.06Å; H33-H166 AromaticContact CE1-CG 3.68Å; H33-H166 AromaticContact CE1-ND1 3.75Å; H33-H166 AromaticContact ND1-CG 3.74Å; H33-H166 AromaticContact ND1-ND1 3.53Å; H77-H166 AromaticContact NE2-NE2 3.98Å; D162-H166 IonicContact OD2-CD2 3.03Å; D162-H166 IonicContact OD2-NE2 3.11Å; D162-H166 PolarHBondContact OD2-NE2 2.83Å; W164-H166 WeakPolarHBondContact CB-CE1 3.41Å; W164-H166 AromaticContact CD2-CE1 3.72Å; W164-H166 AromaticContact CE3-CE1 3.74Å; W164-H166 AromaticContact CE3-ND1 3.79Å; W164-H166 AromaticContact CG-CE1 3.55Å; W164-H166 PolarHBondContact O-N 3.31Å; H166-Y168 VanDerWaalsContact C-N 3.29Å; H166-Y168 PolarHBondContact O-N 2.8Å
167A98.8Very high98.7Very high2 Ų241 Ų412%0.01720%0.198CC..G310 helixtrans-76.4-16.9-177.900000113I25 D162 W164 E165I25-A167 WeakPolarHBondContact CG2-O 3.44Å; D162-A167 HydrophobicContact CB-CB 3.97Å; W164-A167 VanDerWaalsContact O-CB 3.31Å; W164-A167 WeakPolarHBondContact O-CB 3.3Å; W164-A167 PolarHBondContact O-N 2.79Å; E165-A167 PolarHBondContact O-N 3.04Å
168Y98.7Very high98.7Very high5 Ų544.4 Ų44.42%0.0222%0.215CC..THydrogen-bonded Turntrans-143.8-20.6-173.963.7-99.9000115.5W164 E165 H166 L170 Q171 Y172 K173 R176 Y179W164-Y168 WeakPolarHBondContact O-CD1 3.38Å; W164-Y168 WeakPolarHBondContact O-CE1 3.24Å; E165-Y168 PolarHBondContact O-N 3.23Å; H166-Y168 VanDerWaalsContact C-N 3.29Å; H166-Y168 PolarHBondContact O-N 2.8Å; Y168-L170 VanDerWaalsContact C-N 3.28Å; Y168-L170 PolarHBondContact O-N 3.02Å; Y168-Q171 PolarHBondContact O-N 3.36Å; Y168-Y172 PolarHBondContact O-N 2.99Å; Y168-K173 WeakPolarHBondContact CD2-O 3.14Å; Y168-K173 VanDerWaalsContact CE2-O 3.3Å; Y168-K173 WeakPolarHBondContact CE2-O 3.17Å; Y168-R176 HydrophobicContact CE1-CB 4.29Å; Y168-R176 HydrophobicContact CE1-CG 3.94Å; Y168-R176 HydrophobicContact CE2-CB 4.03Å; Y168-R176 PolarHBondContact OH-NE 2.92Å; Y168-R176 PolarHBondContact OH-NH2 3.43Å; Y168-Y179 AromaticContact CD1-CD1 3.73Å; Y168-Y179 HydrophobicContact CD1-CD1 3.73Å; Y168-Y179 HydrophobicContact CD1-CE1 4.02Å; Y168-Y179 HydrophobicContact CD1-CG 4.29Å; Y168-Y179 AromaticContact CG-CD1 3.96Å; Y168-Y179 HydrophobicContact CG-CD1 3.96Å; Y168-Y179 HydrophobicContact CG-CG 4.05Å
169Y98.5Very high98.7Very high104 Ų10444.5 Ų44.541%0.40822%0.216SC..Hα-helixtrans-63.8-32.2-165.4-149.2-84.4000113E165 Q171 K173E165-Y169 HydrophobicContact CB-CD2 3.97Å; E165-Y169 HydrophobicContact CG-CD2 4.18Å; E165-Y169 WeakPolarHBondContact O-CB 3.39Å; E165-Y169 PolarHBondContact O-N 3.08Å; Y169-Q171 PolarHBondContact O-N 3.41Å; Y169-K173 WeakPolarHBondContact CD2-O 3.32Å; Y169-K173 VanDerWaalsContact O-CA 3.24Å; Y169-K173 WeakPolarHBondContact O-CA 3.12Å; Y169-K173 WeakPolarHBondContact O-CD 3.4Å; Y169-K173 PolarHBondContact O-N 3.3Å; Y169-K173 VanDerWaalsContact O-N 3.08Å
170L98.6Very high98.7Very high75 Ų7544.5 Ų44.539%0.39322%0.216SC..Hα-helixtrans-64.2-30.2178.1-67.8177.8000112.6E24 I25 L28 Y168 K173E24-L170 HydrophobicContact CG-CD1 4.06Å; I25-L170 HydrophobicContact CD1-CB 4.26Å; I25-L170 HydrophobicContact CG1-CB 3.92Å; I25-L170 HydrophobicContact CG1-CD1 4.35Å; L28-L170 HydrophobicContact CD1-CD1 3.63Å; Y168-L170 VanDerWaalsContact C-N 3.28Å; Y168-L170 PolarHBondContact O-N 3.02Å; L170-K173 PolarHBondContact O-NZ 3Å
171Q98.7Very high98.6Very high64 Ų6452.1 Ų52.130%0.29925%0.249SC..Hα-helixtrans-105.1-46.3-176.9-177.4176.4-8.800113P19 I25 Y168 Y169P19-Q171 PolarHBondContact O-NE2 3.42Å; I25-Q171 HydrophobicContact CD1-CB 3.63Å; Y168-Q171 PolarHBondContact O-N 3.36Å; Y169-Q171 PolarHBondContact O-N 3.41Å
172Y98.8Very high98.6Very high37 Ų3752.8 Ų52.815%0.14526%0.255CS..Hα-helixtrans-100.7-3.2-173.8-63.6-85.7000113.6T20 Y168 N174 V175 D178 Y179 A182T20-Y172 PolarHBondContact O-OH 3.1Å; Y168-Y172 PolarHBondContact O-N 2.99Å; Y172-N174 PolarHBondContact O-N 3.49Å; Y172-V175 WeakPolarHBondContact O-CB 3.49Å; Y172-V175 WeakPolarHBondContact O-CG2 3.47Å; Y172-V175 PolarHBondContact O-N 2.92Å; Y172-D178 HydrophobicContact CD1-CB 3.78Å; Y172-D178 HydrophobicContact CE1-CB 4.24Å; Y172-Y179 HydrophobicContact CD2-CD2 4.09Å; Y172-Y179 HydrophobicContact CD2-CG 4.3Å; Y172-Y179 HydrophobicContact CE2-CD2 4.01Å; Y172-A182 HydrophobicContact CE1-CB 4.19Å; Y172-A182 WeakPolarHBondContact OH-CB 3.36Å
173K98.5Very high98.6Very high108 Ų10852.8 Ų52.847%0.4726%0.255SS..THydrogen-bonded Turntrans52.8-133.8-178.2-49.4-57.9172.5-153.90110.6Y168 Y169 L170 V175Y168-K173 WeakPolarHBondContact CD2-O 3.14Å; Y168-K173 VanDerWaalsContact CE2-O 3.3Å; Y168-K173 WeakPolarHBondContact CE2-O 3.17Å; Y169-K173 WeakPolarHBondContact CD2-O 3.32Å; Y169-K173 VanDerWaalsContact O-CA 3.24Å; Y169-K173 WeakPolarHBondContact O-CA 3.12Å; Y169-K173 WeakPolarHBondContact O-CD 3.4Å; Y169-K173 PolarHBondContact O-N 3.3Å; Y169-K173 VanDerWaalsContact O-N 3.08Å; L170-K173 PolarHBondContact O-NZ 3Å; K173-V175 PolarHBondContact O-N 3.4Å
174N97.8Very high98.6Very high122 Ų12253.2 Ų53.265%0.65226%0.256SS*.THydrogen-bonded Turntrans-74.8-1.8177.165-67.6000113.9Y172 R176Y172-N174 PolarHBondContact O-N 3.49Å; N174-R176 VanDerWaalsContact C-N 3.31Å; N174-R176 PolarHBondContact O-N 3.05Å; N174-R176 VanDerWaalsContact O-N 3.1Å
175V98.3Very high98.5Very high53 Ų5357 Ų5732%0.32128%0.276SS..  trans-91.161.2-172.3-157.60000111Y172 K173 P177 D178Y172-V175 WeakPolarHBondContact O-CB 3.49Å; Y172-V175 WeakPolarHBondContact O-CG2 3.47Å; Y172-V175 PolarHBondContact O-N 2.92Å; K173-V175 PolarHBondContact O-N 3.4Å; V175-P177 VanDerWaalsContact C-N 3.26Å; V175-P177 VanDerWaalsContact O-N 3.16Å; V175-D178 HydrophobicContact CB-CB 4.34Å; V175-D178 HydrophobicContact CG1-CB 3.91Å; V175-D178 VanDerWaalsContact CG1-CG 3.48Å; V175-D178 WeakPolarHBondContact CG1-OD2 3.45Å; V175-D178 PolarHBondContact O-N 3.44Å
176R98.5Very high98.5Very high31 Ų3152.3 Ų52.312%0.11725%0.254CS..Hα-helixtrans-47.1-40.8175.3-175.5-170.7-68.1177.2-9.5113.5V119 V121 G123 V163 Y168 N174 D178 Y179 V180V119-R176 PolarHBondContact O-NH1 3.05Å; V121-R176 PolarHBondContact O-NH1 3.28Å; G123-R176 PolarHBondContact O-NH2 3.19Å; V163-R176 PolarHBondContact O-NH2 2.77Å; Y168-R176 HydrophobicContact CE1-CB 4.29Å; Y168-R176 HydrophobicContact CE1-CG 3.94Å; Y168-R176 HydrophobicContact CE2-CB 4.03Å; Y168-R176 PolarHBondContact OH-NE 2.92Å; Y168-R176 PolarHBondContact OH-NH2 3.43Å; N174-R176 VanDerWaalsContact C-N 3.31Å; N174-R176 PolarHBondContact O-N 3.05Å; N174-R176 VanDerWaalsContact O-N 3.1Å; R176-D178 PolarHBondContact O-N 3.19Å; R176-Y179 PolarHBondContact O-N 3.22Å; R176-V180 HydrophobicContact CG-CG2 4.13Å; R176-V180 WeakPolarHBondContact O-CG2 3.5Å; R176-V180 PolarHBondContact O-N 3Å
177P98.8Very high98.5Very high64 Ų6450.6 Ų50.642%0.41625%0.246SC..Hα-helixtrans-57.5-34.2177.3-2736.6000114.3V119 V175 V180 K181V119-P177 HydrophobicContact CG1-CG 3.96Å; V119-P177 HydrophobicContact CG2-CB 4.23Å; V119-P177 HydrophobicContact CG2-CG 4.17Å; V175-P177 VanDerWaalsContact C-N 3.26Å; V175-P177 VanDerWaalsContact O-N 3.16Å; P177-V180 PolarHBondContact O-N 2.98Å; P177-K181 VanDerWaalsContact O-CB 3.27Å; P177-K181 WeakPolarHBondContact O-CB 3.34Å; P177-K181 PolarHBondContact O-N 3.43Å
178D98.8Very high98.5Very high85 Ų8552 Ų5246%0.45525%0.253SS..Hα-helixtrans-71.8-39.6179.8-76-4.1000111.3Y172 V175 R176 K181 A182Y172-D178 HydrophobicContact CD1-CB 3.78Å; Y172-D178 HydrophobicContact CE1-CB 4.24Å; V175-D178 HydrophobicContact CB-CB 4.34Å; V175-D178 HydrophobicContact CG1-CB 3.91Å; V175-D178 VanDerWaalsContact CG1-CG 3.48Å; V175-D178 WeakPolarHBondContact CG1-OD2 3.45Å; V175-D178 PolarHBondContact O-N 3.44Å; R176-D178 PolarHBondContact O-N 3.19Å; D178-K181 PolarHBondContact O-N 3.12Å; D178-A182 VanDerWaalsContact O-CB 3.32Å; D178-A182 WeakPolarHBondContact O-CB 3.4Å; D178-A182 PolarHBondContact O-N 3.44Å
179Y98.8Very high98.5Very high2 Ų252.5 Ų52.51%0.00826%0.255CS..Hα-helixtrans-60.7-50.7171.1161.9-110.3000111.7I21 I161 D162 Y168 Y172 R176 K181 A182 I183I21-Y179 HydrophobicContact CD1-CE2 4.47Å; I161-Y179 HydrophobicContact CG2-CE1 4.31Å; D162-Y179 WeakPolarHBondContact O-CE1 3.49Å; D162-Y179 PolarHBondContact O-OH 2.83Å; Y168-Y179 AromaticContact CD1-CD1 3.73Å; Y168-Y179 HydrophobicContact CD1-CD1 3.73Å; Y168-Y179 HydrophobicContact CD1-CE1 4.02Å; Y168-Y179 HydrophobicContact CD1-CG 4.29Å; Y168-Y179 AromaticContact CG-CD1 3.96Å; Y168-Y179 HydrophobicContact CG-CD1 3.96Å; Y168-Y179 HydrophobicContact CG-CG 4.05Å; Y172-Y179 HydrophobicContact CD2-CD2 4.09Å; Y172-Y179 HydrophobicContact CD2-CG 4.3Å; Y172-Y179 HydrophobicContact CE2-CD2 4.01Å; R176-Y179 PolarHBondContact O-N 3.22Å; Y179-K181 PolarHBondContact O-N 2.9Å; Y179-A182 PolarHBondContact O-N 3.3Å; Y179-I183 HydrophobicContact CE2-CB 4.45Å; Y179-I183 HydrophobicContact CE2-CD1 4.03Å; Y179-I183 PolarHBondContact O-N 2.95Å; Y179-I183 WeakPolarHBondContact OH-CD1 3.38Å
180V98.8Very high98.4Very high1 Ų156 Ų561%0.00627%0.273CS..Hα-helixtrans-62-33.8179.5174.10000111.1C118 V119 V163 R176 P177 I183 W184C118-V180 HydrophobicContact CB-CG1 3.98Å; C118-V180 HydrophobicContact CB-CG2 3.95Å; V119-V180 HydrophobicContact CG2-CB 4.15Å; V119-V180 HydrophobicContact CG2-CG1 4.3Å; V119-V180 HydrophobicContact CG2-CG2 4.09Å; V163-V180 HydrophobicContact CG1-CG2 4.16Å; R176-V180 HydrophobicContact CG-CG2 4.13Å; R176-V180 WeakPolarHBondContact O-CG2 3.5Å; R176-V180 PolarHBondContact O-N 3Å; P177-V180 PolarHBondContact O-N 2.98Å; V180-I183 WeakPolarHBondContact O-CG2 3.49Å; V180-W184 PolarHBondContact O-NE1 3.46Å
181K98.5Very high98.4Very high159 Ų15953.5 Ų53.569%0.69126%0.259SS*.Hα-helixtrans-67.7-42.8173.1-179.6-178.6176.8-176.10111.8P177 D178 Y179P177-K181 VanDerWaalsContact O-CB 3.27Å; P177-K181 WeakPolarHBondContact O-CB 3.34Å; P177-K181 PolarHBondContact O-N 3.43Å; D178-K181 PolarHBondContact O-N 3.12Å; Y179-K181 PolarHBondContact O-N 2.9Å
182A98.3Very high98.4Very high14 Ų1450.4 Ų50.412%0.11625%0.245CC..Hα-helixtrans-71.1-41.8-175.400000112.3T20 Y172 D178 Y179 W184 Q185T20-A182 VanDerWaalsContact CG2-C 3.41Å; T20-A182 HydrophobicContact CG2-CB 3.97Å; T20-A182 WeakPolarHBondContact CG2-O 3.47Å; Y172-A182 HydrophobicContact CE1-CB 4.19Å; Y172-A182 WeakPolarHBondContact OH-CB 3.36Å; D178-A182 VanDerWaalsContact O-CB 3.32Å; D178-A182 WeakPolarHBondContact O-CB 3.4Å; D178-A182 PolarHBondContact O-N 3.44Å; Y179-A182 PolarHBondContact O-N 3.3Å; A182-W184 PolarHBondContact O-N 3.25Å; A182-Q185 WeakPolarHBondContact O-CB 3.44Å; A182-Q185 WeakPolarHBondContact O-CG 3.47Å; A182-Q185 PolarHBondContact O-N 2.9Å
183I98.5Very high98.4Very high0 Ų050.5 Ų50.50%025%0.247CC..Hα-helixtrans-57.1-27.1-172.5-158.6174000113.8I21 F80 L84 I161 Y179 V180 Q185 V186 I187I21-I183 HydrophobicContact CD1-CD1 4.38Å; I21-I183 HydrophobicContact CD1-CG1 4.27Å; F80-I183 HydrophobicContact CE2-CD1 3.82Å; F80-I183 HydrophobicContact CZ-CD1 4.12Å; L84-I183 HydrophobicContact CD2-CD1 4.05Å; L84-I183 HydrophobicContact CD2-CG1 3.95Å; I161-I183 HydrophobicContact CD1-CG2 4.15Å; I161-I183 HydrophobicContact CG1-CG2 4.49Å; I161-I183 HydrophobicContact CG2-CD1 4.17Å; I161-I183 HydrophobicContact CG2-CG2 4.35Å; Y179-I183 HydrophobicContact CE2-CB 4.45Å; Y179-I183 HydrophobicContact CE2-CD1 4.03Å; Y179-I183 PolarHBondContact O-N 2.95Å; Y179-I183 WeakPolarHBondContact OH-CD1 3.38Å; V180-I183 WeakPolarHBondContact O-CG2 3.49Å; I183-Q185 PolarHBondContact O-N 3.42Å; I183-V186 HydrophobicContact CG1-CG2 4.11Å; I183-V186 WeakPolarHBondContact O-CG2 3.35Å; I183-V186 PolarHBondContact O-N 3.29Å; I183-I187 HydrophobicContact CG1-CD1 4.24Å; I183-I187 WeakPolarHBondContact O-CG1 3.46Å; I183-I187 PolarHBondContact O-N 3.49Å
184W98.5Very high98.3Very high10 Ų1051.7 Ų51.74%0.03825%0.252CS..THydrogen-bonded Turntrans-55-23.5173.5-69.5102.9000114.3G89 F107 F110 K111 L114 S115 I161 V180 A182 V186 I187 W189G89-W184 WeakPolarHBondContact CA-O 3.46Å; F107-W184 HydrophobicContact CE2-CZ3 4.32Å; F107-W184 HydrophobicContact CZ-CE3 4.27Å; F107-W184 HydrophobicContact CZ-CZ3 4.23Å; F110-W184 HydrophobicContact CD1-CH2 4.43Å; F110-W184 AromaticContact CE1-CH2 3.74Å; F110-W184 HydrophobicContact CE1-CH2 3.74Å; F110-W184 AromaticContact CE1-CZ3 3.84Å; F110-W184 HydrophobicContact CE1-CZ3 3.84Å; F110-W184 AromaticContact CZ-CH2 3.98Å; F110-W184 HydrophobicContact CZ-CH2 3.98Å; F110-W184 HydrophobicContact CZ-CZ3 4.39Å; K111-W184 HydrophobicContact CB-CH2 4.06Å; K111-W184 HydrophobicContact CB-CZ2 4.17Å; K111-W184 HydrophobicContact CB-CZ3 4.32Å; K111-W184 HydrophobicContact CD-CD2 4.1Å; K111-W184 HydrophobicContact CD-CE3 4.34Å; K111-W184 HydrophobicContact CD-CG 4.31Å; K111-W184 HydrophobicContact CG-CD2 3.78Å; K111-W184 HydrophobicContact CG-CE3 4.08Å; K111-W184 HydrophobicContact CG-CG 4.32Å; K111-W184 HydrophobicContact CG-CH2 3.97Å; K111-W184 HydrophobicContact CG-CZ2 3.69Å; K111-W184 HydrophobicContact CG-CZ3 4.14Å; L114-W184 HydrophobicContact CB-CH2 4.28Å; L114-W184 HydrophobicContact CB-CZ2 4.19Å; L114-W184 HydrophobicContact CD2-CH2 3.8Å; L114-W184 HydrophobicContact CD2-CZ2 4.1Å; L114-W184 HydrophobicContact CG-CH2 4.43Å; L114-W184 HydrophobicContact CG-CZ2 4.32Å; S115-W184 PolarHBondContact OG-NE1 3.38Å; I161-W184 HydrophobicContact CD1-CZ2 4.46Å; V180-W184 PolarHBondContact O-NE1 3.46Å; A182-W184 PolarHBondContact O-N 3.25Å; W184-V186 VanDerWaalsContact C-N 3.28Å; W184-V186 PolarHBondContact O-N 2.94Å; W184-I187 HydrophobicContact CE3-CG1 4.41Å; W184-W189 HydrophobicContact CE3-CH2 4.42Å; W184-W189 AromaticContact CE3-CZ2 3.98Å; W184-W189 HydrophobicContact CE3-CZ2 3.98Å; W184-W189 AromaticContact CZ3-CH2 3.77Å; W184-W189 HydrophobicContact CZ3-CH2 3.77Å; W184-W189 AromaticContact CZ3-CZ2 3.75Å; W184-W189 HydrophobicContact CZ3-CZ2 3.75Å
185Q97.9Very high98.4Very high120 Ų12048.6 Ų48.656%0.56123%0.231SC*.THydrogen-bonded Turntrans-75.2-16178.4-63.7177.8-15.500113.6T20 S88 G89 A182 I183T20-Q185 PolarHBondContact OG1-OE1 2.6Å; S88-Q185 CarbonylContact C-O 3.5Å; S88-Q185 VanDerWaalsContact O-O 3.04Å; G89-Q185 PolarHBondContact N-O 2.93Å; A182-Q185 WeakPolarHBondContact O-CB 3.44Å; A182-Q185 WeakPolarHBondContact O-CG 3.47Å; A182-Q185 PolarHBondContact O-N 2.9Å; I183-Q185 PolarHBondContact O-N 3.42Å
186V98.4Very high98.4Very high6 Ų646.6 Ų46.64%0.03622%0.218CC..SBendtrans-120.87.3-177.5-65.60000112.8L17 T20 I21 L84 A85 I183 W184 N188L17-V186 HydrophobicContact CB-CG1 4.31Å; L17-V186 HydrophobicContact CD2-CB 4.22Å; L17-V186 HydrophobicContact CD2-CG1 4.29Å; T20-V186 HydrophobicContact CG2-CB 4.5Å; T20-V186 HydrophobicContact CG2-CG1 3.98Å; T20-V186 HydrophobicContact CG2-CG2 3.75Å; I21-V186 HydrophobicContact CD1-CG2 4.47Å; L84-V186 CarbonylContact C-O 3.5Å; L84-V186 VanDerWaalsContact CA-O 3.25Å; L84-V186 WeakPolarHBondContact CA-O 3.39Å; L84-V186 HydrophobicContact CD2-CG2 3.97Å; A85-V186 PolarHBondContact N-O 2.72Å; I183-V186 HydrophobicContact CG1-CG2 4.11Å; I183-V186 WeakPolarHBondContact O-CG2 3.35Å; I183-V186 PolarHBondContact O-N 3.29Å; W184-V186 VanDerWaalsContact C-N 3.28Å; W184-V186 PolarHBondContact O-N 2.94Å; V186-N188 PolarHBondContact O-N 3.43Å
187I98.7Very high98.3Very high0 Ų047.4 Ų47.40%023%0.226CC..BIsolated β-bridgetrans-65.4125176.2-62-51.7000110.3N83 L84 S88 G89 L159 I183 W184 W189 V192N83-I187 WeakPolarHBondContact O-CA 3.43Å; L84-I187 HydrophobicContact CD2-CD1 3.84Å; S88-I187 PolarHBondContact OG-O 3.34Å; G89-I187 WeakPolarHBondContact CA-O 3.32Å; G89-I187 PolarHBondContact N-O 3.13Å; L159-I187 HydrophobicContact CD1-CD1 3.8Å; L159-I187 HydrophobicContact CD1-CG2 4.05Å; L159-I187 HydrophobicContact CD2-CG2 4.25Å; I183-I187 HydrophobicContact CG1-CD1 4.24Å; I183-I187 WeakPolarHBondContact O-CG1 3.46Å; I183-I187 PolarHBondContact O-N 3.49Å; W184-I187 HydrophobicContact CE3-CG1 4.41Å; I187-W189 HydrophobicContact CB-CZ2 4.31Å; I187-W189 HydrophobicContact CG2-CD2 3.89Å; I187-W189 HydrophobicContact CG2-CE3 4.1Å; I187-W189 HydrophobicContact CG2-CG 4.46Å; I187-W189 HydrophobicContact CG2-CH2 3.98Å; I187-W189 HydrophobicContact CG2-CZ2 3.81Å; I187-W189 HydrophobicContact CG2-CZ3 4.15Å; I187-W189 PolarHBondContact O-N 3.1Å; I187-W189 VanDerWaalsContact O-N 3.16Å; I187-V192 HydrophobicContact CG2-CG2 4.31Å
188N98.5Very high98.2Very high31 Ų3147.6 Ų47.617%0.16622%0.224CC..  trans-83.282.9176.3-175.54.8000111.1H82 N83 A85 V186 K190 D191 V192H82-N188 WeakPolarHBondContact O-CB 3.43Å; H82-N188 PolarHBondContact O-ND2 2.92Å; N83-N188 PolarHBondContact O-N 3.03Å; A85-N188 HydrophobicContact CB-CB 3.69Å; V186-N188 PolarHBondContact O-N 3.43Å; N188-K190 PolarHBondContact O-N 2.89Å; N188-K190 WeakPolarHBondContact OD1-CB 3.27Å; N188-K190 PolarHBondContact OD1-N 3.38Å; N188-D191 HydrophobicContact CB-CB 4.31Å; N188-D191 PolarHBondContact O-N 3.5Å; N188-D191 PolarHBondContact OD1-N 3.27Å; N188-V192 PolarHBondContact O-N 3.24Å
189W98.4Very high98.2Very high17 Ų1744.1 Ų44.16%0.06421%0.207CC..Hα-helixtrans-58.1-22.1179.1-69120.7000114.4G90 P92 L96 F107 F110 L159 W184 I187 V192 E193G90-W189 PolarHBondContact O-NE1 2.97Å; P92-W189 HydrophobicContact CB-CB 4.3Å; P92-W189 HydrophobicContact CB-CD2 3.83Å; P92-W189 HydrophobicContact CB-CE3 3.71Å; P92-W189 HydrophobicContact CB-CG 4.08Å; P92-W189 HydrophobicContact CB-CZ3 4.41Å; P92-W189 HydrophobicContact CG-CD2 4.15Å; P92-W189 HydrophobicContact CG-CE3 4.02Å; P92-W189 HydrophobicContact CG-CZ3 4.27Å; L96-W189 HydrophobicContact CD2-CE3 3.93Å; L96-W189 HydrophobicContact CD2-CZ3 4.24Å; F107-W189 AromaticContact CE2-CH2 3.91Å; F107-W189 HydrophobicContact CE2-CH2 3.91Å; F107-W189 AromaticContact CE2-CZ2 3.49Å; F107-W189 HydrophobicContact CE2-CZ2 3.49Å; F107-W189 VanDerWaalsContact CE2-CZ2 3.49Å; F107-W189 AromaticContact CZ-CZ2 3.75Å; F107-W189 HydrophobicContact CZ-CZ2 3.75Å; F110-W189 AromaticContact CE1-CH2 3.86Å; F110-W189 HydrophobicContact CE1-CH2 3.86Å; F110-W189 HydrophobicContact CZ-CH2 4.46Å; L159-W189 HydrophobicContact CD2-CH2 3.97Å; L159-W189 HydrophobicContact CD2-CZ3 4.24Å; W184-W189 HydrophobicContact CE3-CH2 4.42Å; W184-W189 AromaticContact CE3-CZ2 3.98Å; W184-W189 HydrophobicContact CE3-CZ2 3.98Å; W184-W189 AromaticContact CZ3-CH2 3.77Å; W184-W189 HydrophobicContact CZ3-CH2 3.77Å; W184-W189 AromaticContact CZ3-CZ2 3.75Å; W184-W189 HydrophobicContact CZ3-CZ2 3.75Å; I187-W189 HydrophobicContact CB-CZ2 4.31Å; I187-W189 HydrophobicContact CG2-CD2 3.89Å; I187-W189 HydrophobicContact CG2-CE3 4.1Å; I187-W189 HydrophobicContact CG2-CG 4.46Å; I187-W189 HydrophobicContact CG2-CH2 3.98Å; I187-W189 HydrophobicContact CG2-CZ2 3.81Å; I187-W189 HydrophobicContact CG2-CZ3 4.15Å; I187-W189 PolarHBondContact O-N 3.1Å; I187-W189 VanDerWaalsContact O-N 3.16Å; W189-V192 HydrophobicContact CE3-CB 4.06Å; W189-V192 HydrophobicContact CE3-CG1 4.28Å; W189-V192 HydrophobicContact CE3-CG2 4.18Å; W189-V192 HydrophobicContact CZ3-CB 4.4Å; W189-V192 HydrophobicContact CZ3-CG1 4.18Å; W189-V192 HydrophobicContact CZ3-CG2 4.39Å; W189-E193 VanDerWaalsContact O-CB 3.26Å; W189-E193 WeakPolarHBondContact O-CB 3.37Å; W189-E193 PolarHBondContact O-N 2.97Å
190K97.5Very high98Very high178 Ų17846.1 Ų46.177%0.77422%0.222SC*.Hα-helixtrans-69.3-40175.4-64179178.6176.20112.1N188 K194N188-K190 PolarHBondContact O-N 2.89Å; N188-K190 WeakPolarHBondContact OD1-CB 3.27Å; N188-K190 PolarHBondContact OD1-N 3.38Å; K190-K194 WeakPolarHBondContact O-CB 3.22Å; K190-K194 PolarHBondContact O-N 3.21Å
191D98.1Very high97.7Very high21 Ų2149 Ų4911%0.11224%0.242CC..Hα-helixtrans-68-43.5174.9-179.968000110.7H82 N83 N188 E193 K194 R195H82-D191 VanDerWaalsContact O-CB 3.27Å; H82-D191 WeakPolarHBondContact O-CB 3.24Å; N83-D191 PolarHBondContact ND2-OD2 3.46Å; N188-D191 HydrophobicContact CB-CB 4.31Å; N188-D191 PolarHBondContact O-N 3.5Å; N188-D191 PolarHBondContact OD1-N 3.27Å; D191-E193 PolarHBondContact O-N 2.97Å; D191-K194 PolarHBondContact O-N 3.37Å; D191-R195 WeakPolarHBondContact O-CG 3.48Å; D191-R195 PolarHBondContact O-N 3.29Å; D191-R195 IonicContact OD1-NE 3.75Å; D191-R195 IonicContact OD2-CZ 3.72Å; D191-R195 IonicContact OD2-NE 2.8Å; D191-R195 PolarHBondContact OD2-NE 2.94Å; D191-R195 IonicContact OD2-NH2 3.76Å
192V98.7Very high96.7Very high0 Ų045 Ų450%025%0.246CC..Hα-helixtrans-62.8-43.5178-170.50000111.3L96 L129 L158 L159 I187 N188 W189 R195 F196L96-V192 HydrophobicContact CD2-CB 3.95Å; L96-V192 HydrophobicContact CD2-CG1 3.53Å; L129-V192 HydrophobicContact CD2-CG1 4.44Å; L158-V192 HydrophobicContact CB-CG1 3.97Å; L159-V192 HydrophobicContact CB-CG1 4.07Å; L159-V192 HydrophobicContact CB-CG2 4.03Å; L159-V192 HydrophobicContact CD1-CG2 4.34Å; I187-V192 HydrophobicContact CG2-CG2 4.31Å; N188-V192 PolarHBondContact O-N 3.24Å; W189-V192 HydrophobicContact CE3-CB 4.06Å; W189-V192 HydrophobicContact CE3-CG1 4.28Å; W189-V192 HydrophobicContact CE3-CG2 4.18Å; W189-V192 HydrophobicContact CZ3-CB 4.4Å; W189-V192 HydrophobicContact CZ3-CG1 4.18Å; W189-V192 HydrophobicContact CZ3-CG2 4.39Å; V192-R195 PolarHBondContact O-N 3.47Å; V192-F196 WeakPolarHBondContact O-CB 3.49Å; V192-F196 PolarHBondContact O-N 2.79Å
193E98.2Very high94.8Very high38 Ų3854.6 Ų54.618%0.17829%0.285CS..Hα-helixtrans-58.8-47.8173.2176.672.4179.500110.9E95 L96 W189 D191 R195 F196 V197E95-E193 PolarHBondContact N-OE1 2.93Å; L96-E193 WeakPolarHBondContact CA-OE2 3.31Å; L96-E193 WeakPolarHBondContact CB-OE2 3.43Å; L96-E193 PolarHBondContact N-OE2 2.91Å; W189-E193 VanDerWaalsContact O-CB 3.26Å; W189-E193 WeakPolarHBondContact O-CB 3.37Å; W189-E193 PolarHBondContact O-N 2.97Å; D191-E193 PolarHBondContact O-N 2.97Å; E193-R195 VanDerWaalsContact C-N 3.33Å; E193-R195 PolarHBondContact O-N 3.46Å; E193-F196 WeakPolarHBondContact O-CB 3.07Å; E193-F196 PolarHBondContact O-N 3.47Å; E193-F196 VanDerWaalsContact O-N 3.11Å; E193-V197 HydrophobicContact CG-CG2 4.4Å; E193-V197 WeakPolarHBondContact O-CG2 3.36Å; E193-V197 PolarHBondContact O-N 3.4Å
194K97.5Very high94.6Very high134 Ų13457.4 Ų57.458%0.58330%0.299SS*.Hα-helixtrans-59.3-44.1179.2-179.2-177.4176.2-174.50111.7K190 D191 F196 V197 N198K190-K194 WeakPolarHBondContact O-CB 3.22Å; K190-K194 PolarHBondContact O-N 3.21Å; D191-K194 PolarHBondContact O-N 3.37Å; K194-F196 VanDerWaalsContact C-N 3.33Å; K194-V197 PolarHBondContact O-N 3.4Å; K194-N198 VanDerWaalsContact O-CG 3.3Å; K194-N198 PolarHBondContact O-N 2.69Å
195R98Very high94.4Very high56 Ų5659.8 Ų59.821%0.21131%0.313CS..Hα-helixtrans-61.9-42.7175.2-71.1170.4-179-77-5.3111.2L158 D191 V192 E193 N198 A199L158-R195 HydrophobicContact CD2-CB 3.91Å; L158-R195 WeakPolarHBondContact O-CD 3.42Å; D191-R195 WeakPolarHBondContact O-CG 3.48Å; D191-R195 PolarHBondContact O-N 3.29Å; D191-R195 IonicContact OD1-NE 3.75Å; D191-R195 IonicContact OD2-CZ 3.72Å; D191-R195 IonicContact OD2-NE 2.8Å; D191-R195 PolarHBondContact OD2-NE 2.94Å; D191-R195 IonicContact OD2-NH2 3.76Å; V192-R195 PolarHBondContact O-N 3.47Å; E193-R195 VanDerWaalsContact C-N 3.33Å; E193-R195 PolarHBondContact O-N 3.46Å; R195-N198 PolarHBondContact O-N 2.92Å; R195-A199 WeakPolarHBondContact O-CB 3.28Å; R195-A199 PolarHBondContact O-N 2.98Å
196F98.5Very high94.2Very high12 Ų1256.5 Ų56.55%0.05330%0.299CS..Hα-helixtrans-61.8-49.6178174.6-109.1000111.7E95 L96 A99 Y131 L138 L158 V192 E193 K194 N198 A199 S200E95-F196 HydrophobicContact CB-CD1 4.21Å; E95-F196 HydrophobicContact CB-CE1 3.73Å; L96-F196 HydrophobicContact CB-CD1 4.05Å; L96-F196 HydrophobicContact CB-CG 4.36Å; L96-F196 HydrophobicContact CD1-CB 4.16Å; L96-F196 HydrophobicContact CD1-CD2 4.33Å; L96-F196 HydrophobicContact CD1-CG 4.06Å; A99-F196 HydrophobicContact CB-CE1 4.17Å; A99-F196 HydrophobicContact CB-CE2 3.98Å; A99-F196 HydrophobicContact CB-CZ 3.54Å; Y131-F196 HydrophobicContact CD2-CD2 4.23Å; Y131-F196 AromaticContact CD2-CE2 3.84Å; Y131-F196 HydrophobicContact CD2-CE2 3.84Å; Y131-F196 AromaticContact CE2-CE2 3.97Å; Y131-F196 HydrophobicContact CE2-CE2 3.97Å; L138-F196 HydrophobicContact CD2-CD2 3.9Å; L138-F196 HydrophobicContact CD2-CE2 3.91Å; L158-F196 HydrophobicContact CD1-CB 4.13Å; L158-F196 HydrophobicContact CD1-CD2 3.92Å; L158-F196 HydrophobicContact CD1-CG 4.49Å; L158-F196 HydrophobicContact CD2-CB 4.35Å; V192-F196 WeakPolarHBondContact O-CB 3.49Å; V192-F196 PolarHBondContact O-N 2.79Å; E193-F196 WeakPolarHBondContact O-CB 3.07Å; E193-F196 PolarHBondContact O-N 3.47Å; E193-F196 VanDerWaalsContact O-N 3.11Å; K194-F196 VanDerWaalsContact C-N 3.33Å; F196-N198 VanDerWaalsContact C-N 3.34Å; F196-N198 PolarHBondContact O-N 3.22Å; F196-A199 PolarHBondContact O-N 2.88Å; F196-S200 WeakPolarHBondContact O-CB 3.37Å; F196-S200 PolarHBondContact O-N 3.18Å; F196-S200 PolarHBondContact O-OG 3.35Å; F196-S200 VanDerWaalsContact O-OG 3.11Å
197V97.5Very high94Very high47 Ų4759.5 Ų59.529%0.28531%0.314SS..Hα-helixtrans-61.1-41.1178.7170.50000111.6E193 K194 S200 S201E193-V197 HydrophobicContact CG-CG2 4.4Å; E193-V197 WeakPolarHBondContact O-CG2 3.36Å; E193-V197 PolarHBondContact O-N 3.4Å; K194-V197 PolarHBondContact O-N 3.4Å; V197-S200 PolarHBondContact O-OG 3.42Å; V197-S201 VanDerWaalsContact O-CB 3.26Å; V197-S201 WeakPolarHBondContact O-CB 3.39Å; V197-S201 PolarHBondContact O-N 2.92Å; V197-S201 PolarHBondContact O-OG 3.38Å
198N97.2Very high93.7Very high68 Ų6863.2 Ų63.236%0.36433%0.334SS..Hα-helixtrans-62.7-48.8175-72.1-11.7000111.1K194 R195 F196 S200 S201 G202 K203K194-N198 VanDerWaalsContact O-CG 3.3Å; K194-N198 PolarHBondContact O-N 2.69Å; R195-N198 PolarHBondContact O-N 2.92Å; F196-N198 VanDerWaalsContact C-N 3.34Å; F196-N198 PolarHBondContact O-N 3.22Å; N198-S200 PolarHBondContact O-N 3.03Å; N198-S201 PolarHBondContact O-N 3.03Å; N198-S201 PolarHBondContact O-OG 3.24Å; N198-G202 PolarHBondContact O-N 2.95Å; N198-K203 PolarHBondContact O-N 2.78Å; N198-K203 VanDerWaalsContact O-N 3.13Å
199A97.3Very high93.3Very high13 Ų1365.3 Ų65.311%0.10735%0.345CS..Hα-helixtrans-63.3-40.5-179.500000112.9Y131 V156 L158 R195 F196Y131-A199 HydrophobicContact CD1-CB 3.78Å; Y131-A199 HydrophobicContact CE1-CB 4.48Å; Y131-A199 WeakPolarHBondContact CE1-O 3.26Å; Y131-A199 HydrophobicContact CG-CB 4.17Å; V156-A199 HydrophobicContact CB-CB 4.1Å; V156-A199 HydrophobicContact CG1-CB 3.8Å; V156-A199 HydrophobicContact CG2-CB 4.46Å; L158-A199 HydrophobicContact CD2-CB 4.33Å; R195-A199 WeakPolarHBondContact O-CB 3.28Å; R195-A199 PolarHBondContact O-N 2.98Å; F196-A199 PolarHBondContact O-N 2.88Å
200S96Very high93Very high44 Ų4468.8 Ų68.831%0.30837%0.365SS..Hα-helixtrans-77.2-25.7-177.869.50000113.3F196 V197 N198F196-S200 WeakPolarHBondContact O-CB 3.37Å; F196-S200 PolarHBondContact O-N 3.18Å; F196-S200 PolarHBondContact O-OG 3.35Å; F196-S200 VanDerWaalsContact O-OG 3.11Å; V197-S200 PolarHBondContact O-OG 3.42Å; N198-S200 PolarHBondContact O-N 3.03Å
201S92.2Very high92.6Very high62 Ų6260.4 Ų60.443%0.43433%0.334SS..Hα-helixtrans-86.9-2.7175.961.90000114.1V197 N198 K203V197-S201 VanDerWaalsContact O-CB 3.26Å; V197-S201 WeakPolarHBondContact O-CB 3.39Å; V197-S201 PolarHBondContact O-N 2.92Å; V197-S201 PolarHBondContact O-OG 3.38Å; N198-S201 PolarHBondContact O-N 3.03Å; N198-S201 PolarHBondContact O-OG 3.24Å; S201-K203 VanDerWaalsContact C-N 3.28Å; S201-K203 PolarHBondContact O-N 3.09Å; S201-K203 WeakPolarHBondContact OG-CG 3.27Å
202G77.9Confident92.2Very high75 Ų7563.7 Ų63.777%0.77335%0.352SS*.THydrogen-bonded Turntrans68.726-17800000113.5N198N198-G202 PolarHBondContact O-N 2.95Å
203K57Low91.6Very high215 Ų21569.5 Ų69.594%0.93538%0.384SS*.  trans-90.70176.1-71.7-178.5-177.7175.20112.2N198 S201N198-K203 PolarHBondContact O-N 2.78Å; N198-K203 VanDerWaalsContact O-N 3.13Å; S201-K203 VanDerWaalsContact C-N 3.28Å; S201-K203 PolarHBondContact O-N 3.09Å; S201-K203 WeakPolarHBondContact OG-CG 3.27Å

Retrieved 203 of 203 residues in 191.6 ms (Link to these results)

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