A0A077YZA2_TRITR Loading...

Zinc finger protein-like 1 homolog

AlphaFold DB , UniProt , Accession A0A077YZA2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 183 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M79.4Confident93Very high170 Ų170109.5 Ų109.584%0.83750%0.5SS*.  0136.10-59.8-169.4-78.500107.8V11 Q13M1-V11 HydrophobicContact CB-CG1 3.9Å; M1-V11 HydrophobicContact SD-CG1 4.27Å; M1-Q13 HydrophobicContact CG-CG 3.91Å; M1-Q13 HydrophobicContact SD-CG 4.36Å
2G91Very high93.2Very high17 Ų17101.4 Ų101.418%0.17546%0.464CS..EExtended strand (participates in β ladder)trans-115.7168.4-176.800000112.5V11 T12G2-V11 CarbonylContact O-C 3.51Å; G2-V11 WeakPolarHBondContact O-CA 3.38Å; G2-T12 PolarHBondContact N-O 2.75Å; G2-T12 PolarHBondContact O-N 3.46Å
3L95.3Very high93.3Very high104 Ų104101.7 Ų101.755%0.54547%0.466SS..EExtended strand (participates in β ladder)trans-94.7132172.3-66.7173.2000109.7K9 V11 N22L3-K9 WeakPolarHBondContact CD2-O 3.39Å; L3-V11 HydrophobicContact CD2-CG2 3.75Å; L3-N22 WeakPolarHBondContact O-CB 3.31Å
4C96.8Very high93.5Very high6 Ų695.9 Ų95.94%0.04144%0.44CS..  trans-63.4139.9171-177.10000110.6C6 R10 T12 N22 C24C4-C6 PolarHBondContact O-N 3.23Å; C4-R10 PolarHBondContact N-O 2.98Å; C4-T12 HydrophobicContact CB-CG2 4.25Å; C4-N22 WeakPolarHBondContact CA-O 3.48Å; C4-N22 PolarHBondContact SG-O 3.17Å; C4-C24 HydrophobicContact CB-CB 3.76Å; C4-C24 PolarHBondContact SG-N 3.06Å
5K91.5Very high93.7Very high164 Ų16490.2 Ų90.271%0.71341%0.414SS*.SBendtrans-71.8-8.7-179.2-67.5-168.8-179.61790114.5V21K5-V21 HydrophobicContact CD-CB 4.03Å; K5-V21 HydrophobicContact CD-CG1 3.82Å; K5-V21 HydrophobicContact CG-CB 4.49Å
6C94.3Very high93.9Very high24 Ų2484.6 Ų84.616%0.16239%0.388CS..SBendtrans-71.7167.6177.574.10000112.5C4 R8 K9 C27C4-C6 PolarHBondContact O-N 3.23Å; C6-R8 PolarHBondContact O-N 2.85Å; C6-K9 PolarHBondContact O-N 3.07Å; C6-C27 WeakPolarHBondContact CB-SG 3.35Å
7R95.3Very high94.1Very high252 Ų25280.5 Ų80.595%0.95137%0.369SS*.THydrogen-bonded Turntrans-56.4-27.1179.8-61.3-175.8-179.2-156.50.3113.7K9R7-K9 VanDerWaalsContact C-N 3.26Å; R7-K9 PolarHBondContact O-N 3.25Å
8R94.2Very high94.1Very high110 Ų11079.8 Ų79.842%0.41537%0.366SS..THydrogen-bonded Turntrans-71.2-18.7-179.7-53.2171.5-179.6116.9-11.6112.7C6 R10 Y26 E30C6-R8 PolarHBondContact O-N 2.85Å; R8-R10 HydrophobicContact CB-CG 4.15Å; R8-R10 PolarHBondContact O-N 3.19Å; R8-Y26 VanDerWaalsContact NH1-CB 3.3Å; R8-E30 IonicContact CZ-OE1 3.74Å; R8-E30 IonicContact CZ-OE2 3.55Å; R8-E30 IonicContact NH1-OE1 3.29Å; R8-E30 IonicContact NH1-OE2 2.8Å; R8-E30 PolarHBondContact NH1-OE2 3.3Å; R8-E30 IonicContact NH2-OE1 3.78Å; R8-E30 PolarHBondContact NH2-OE1 3.1Å; R8-E30 IonicContact NH2-OE2 2.87Å; R8-E30 PolarHBondContact NH2-OE2 3.35Å
9K93.6Very high94.2Very high152 Ų15281.2 Ų81.266%0.66137%0.372SS*.  trans43.338.5179.8-63.1-174.7178.9-179.30114.4L3 C6 R7L3-K9 WeakPolarHBondContact CD2-O 3.39Å; C6-K9 PolarHBondContact O-N 3.07Å; R7-K9 VanDerWaalsContact C-N 3.26Å; R7-K9 PolarHBondContact O-N 3.25Å
10R95.3Very high94.3Very high110 Ų11085.9 Ų85.942%0.41539%0.387SS..  trans-70.5140-178.9-69.3-165.7176.6-159.39.1111C4 R8 C24 Y26C4-R10 PolarHBondContact N-O 2.98Å; R8-R10 HydrophobicContact CB-CG 4.15Å; R8-R10 PolarHBondContact O-N 3.19Å; R10-C24 HydrophobicContact CB-CB 3.99Å; R10-Y26 VanDerWaalsContact NH1-CE2 3.25Å; R10-Y26 PolarHBondContact NH2-OH 3Å; R10-Y26 VanDerWaalsContact NH2-OH 3.16Å
11V95.9Very high94.4Very high96 Ų9682.9 Ų82.958%0.58238%0.375SS*.EExtended strand (participates in β ladder)trans-65.2133.7166.8-1800000108.4M1 G2 L3M1-V11 HydrophobicContact CB-CG1 3.9Å; M1-V11 HydrophobicContact SD-CG1 4.27Å; G2-V11 CarbonylContact O-C 3.51Å; G2-V11 WeakPolarHBondContact O-CA 3.38Å; L3-V11 HydrophobicContact CD2-CG2 3.75Å
12T95.8Very high95.2Very high12 Ų1276.2 Ų76.27%0.07434%0.343CS..EExtended strand (participates in β ladder)trans-146.7151.4-177.1-176.70000110.9G2 C4 M14 N22 V23G2-T12 PolarHBondContact N-O 2.75Å; G2-T12 PolarHBondContact O-N 3.46Å; C4-T12 HydrophobicContact CB-CG2 4.25Å; T12-M14 PolarHBondContact OG1-N 3.38Å; T12-N22 HydrophobicContact CG2-CB 3.84Å; T12-V23 VanDerWaalsContact CB-O 3.31Å; T12-V23 WeakPolarHBondContact CB-O 3.19Å; T12-V23 VanDerWaalsContact CG2-O 3.23Å; T12-V23 WeakPolarHBondContact CG2-O 3.26Å; T12-V23 PolarHBondContact OG1-O 3.43Å
13Q94.8Very high95.5Very high105 Ų10575.5 Ų75.549%0.49134%0.335SS..SBendtrans-98.4-9.9167.7-65.1-17422.600112.1M1 N39 Y40M1-Q13 HydrophobicContact CG-CG 3.91Å; M1-Q13 HydrophobicContact SD-CG 4.36Å; Q13-N39 CarbonylContact O-C 3.6Å; Q13-N39 WeakPolarHBondContact O-CA 3.37Å; Q13-N39 PolarHBondContact O-OD1 3.3Å; Q13-Y40 PolarHBondContact O-N 3.42Å
14M95.6Very high95.6Very high21 Ų2170.7 Ų70.710%0.10331%0.31CS..EExtended strand (participates in β ladder)trans-81.9142.8-178.5-60.8174.6-74.700111.5T12 N22 V23 E25 I28 V37 Q38 L73 I116T12-M14 PolarHBondContact OG1-N 3.38Å; M14-N22 WeakPolarHBondContact O-CA 3.34Å; M14-V23 HydrophobicContact CB-CG2 3.91Å; M14-V23 WeakPolarHBondContact CB-O 3.49Å; M14-V23 PolarHBondContact O-N 3.04Å; M14-V23 VanDerWaalsContact O-N 3.08Å; M14-E25 HydrophobicContact CE-CB 4.17Å; M14-E25 HydrophobicContact CE-CG 3.44Å; M14-E25 VanDerWaalsContact CE-CG 3.44Å; M14-I28 HydrophobicContact SD-CD1 4.09Å; M14-V37 HydrophobicContact CB-CG1 3.86Å; M14-V37 HydrophobicContact CG-CG1 4.49Å; M14-Q38 CarbonylContact C-O 3.57Å; M14-Q38 WeakPolarHBondContact CA-O 3.44Å; M14-L73 HydrophobicContact CG-CD1 3.95Å; M14-L73 HydrophobicContact SD-CD1 4.19Å; M14-L73 HydrophobicContact SD-CD2 3.95Å; M14-I116 HydrophobicContact SD-CD1 4.22Å
15F96.9Very high95.5Very high10 Ų1074.4 Ų74.44%0.04433%0.327CS..EExtended strand (participates in β ladder)trans-137.7129.9-178.8-169-95.6000110Y17 R20 V21 V37 Q38 Y40 W43F15-Y17 HydrophobicContact CD1-CD2 4.32Å; F15-R20 HydrophobicContact CE1-CB 4.33Å; F15-R20 VanDerWaalsContact CZ-CA 3.42Å; F15-R20 HydrophobicContact CZ-CB 4.05Å; F15-V21 VanDerWaalsContact CD2-C 3.45Å; F15-V21 WeakPolarHBondContact CD2-O 3.49Å; F15-V37 WeakPolarHBondContact O-CA 3.45Å; F15-Q38 PolarHBondContact N-O 3.46Å; F15-Q38 PolarHBondContact O-N 2.85Å; F15-Q38 VanDerWaalsContact O-N 3.16Å; F15-Y40 HydrophobicContact CB-CD2 4.1Å; F15-Y40 AromaticContact CD2-CD2 3.48Å; F15-Y40 HydrophobicContact CD2-CD2 3.48Å; F15-Y40 VanDerWaalsContact CD2-CD2 3.48Å; F15-Y40 AromaticContact CD2-CE2 3.98Å; F15-Y40 HydrophobicContact CD2-CE2 3.98Å; F15-Y40 AromaticContact CE2-CD2 3.95Å; F15-Y40 HydrophobicContact CE2-CD2 3.95Å; F15-Y40 AromaticContact CE2-CE2 3.95Å; F15-Y40 HydrophobicContact CE2-CE2 3.95Å; F15-Y40 AromaticContact CG-CD2 3.82Å; F15-Y40 HydrophobicContact CG-CD2 3.82Å; F15-W43 HydrophobicContact CD1-CB 3.9Å; F15-W43 AromaticContact CD1-CD1 3.83Å; F15-W43 AromaticContact CD1-CD2 3.86Å; F15-W43 HydrophobicContact CD1-CD2 3.86Å; F15-W43 HydrophobicContact CD1-CE3 4.47Å; F15-W43 AromaticContact CD1-CG 3.54Å; F15-W43 HydrophobicContact CD1-CG 3.54Å; F15-W43 HydrophobicContact CE1-CB 4.35Å; F15-W43 AromaticContact CE1-CD1 3.62Å; F15-W43 AromaticContact CE1-CD2 3.41Å; F15-W43 HydrophobicContact CE1-CD2 3.41Å; F15-W43 VanDerWaalsContact CE1-CD2 3.41Å; F15-W43 AromaticContact CE1-CE2 3.47Å; F15-W43 VanDerWaalsContact CE1-CE2 3.47Å; F15-W43 HydrophobicContact CE1-CE3 4.04Å; F15-W43 AromaticContact CE1-CG 3.52Å; F15-W43 HydrophobicContact CE1-CG 3.52Å; F15-W43 HydrophobicContact CE1-CZ2 4.13Å; F15-W43 AromaticContact CE1-NE1 3.57Å; F15-W43 AromaticContact CZ-CD2 3.93Å; F15-W43 HydrophobicContact CZ-CD2 3.93Å; F15-W43 AromaticContact CZ-CE2 3.94Å; F15-W43 HydrophobicContact CZ-CE3 4.14Å; F15-W43 HydrophobicContact CZ-CG 4.46Å; F15-W43 HydrophobicContact CZ-CH2 4.35Å; F15-W43 HydrophobicContact CZ-CZ2 4.16Å; F15-W43 HydrophobicContact CZ-CZ3 4.34Å
16C97.2Very high95.7Very high0 Ų069.9 Ų69.90%031%0.306CS..EExtended strand (participates in β ladder)trans-83.9121.1174.2179.10000109.6H19 R20 V21 V23 C35 V37C16-H19 HydrophobicContact CB-CB 4.37Å; C16-H19 PolarHBondContact SG-N 3.35Å; C16-H19 PolarHBondContact SG-ND1 3.17Å; C16-R20 VanDerWaalsContact O-CA 3.23Å; C16-R20 WeakPolarHBondContact O-CA 2.81Å; C16-R20 PolarHBondContact O-N 3.47Å; C16-V21 HydrophobicContact CB-CG2 4.44Å; C16-V21 PolarHBondContact N-O 3.23Å; C16-V21 PolarHBondContact O-N 3.01Å; C16-V23 HydrophobicContact CB-CG1 3.81Å; C16-C35 VanDerWaalsContact SG-CB 3.53Å; C16-V37 HydrophobicContact CB-CG2 3.97Å
17Y96.3Very high95.9Very high16 Ų1668.9 Ų68.96%0.06330%0.299CS..THydrogen-bonded Turntrans-72.6-40.5-176.7-81.6-128.3000111.4F15 R20 I36 Q38 S42 W43 D46 Y49F15-Y17 HydrophobicContact CD1-CD2 4.32Å; Y17-R20 WeakPolarHBondContact O-CG 3.13Å; Y17-I36 PolarHBondContact N-O 3.43Å; Y17-Q38 HydrophobicContact CE2-CB 3.7Å; Y17-Q38 HydrophobicContact CE2-CG 4.43Å; Y17-S42 VanDerWaalsContact OH-CB 3.26Å; Y17-S42 WeakPolarHBondContact OH-CB 3.42Å; Y17-S42 PolarHBondContact OH-O 3.33Å; Y17-W43 AromaticContact CD1-CD1 3.75Å; Y17-W43 HydrophobicContact CD2-CB 4.32Å; Y17-W43 HydrophobicContact CE1-CB 4.15Å; Y17-W43 AromaticContact CE1-CD1 3.84Å; Y17-W43 HydrophobicContact CE1-CG 4.42Å; Y17-W43 HydrophobicContact CE2-CB 3.61Å; Y17-W43 HydrophobicContact CE2-CG 4.25Å; Y17-W43 AromaticContact CG-CD1 3.9Å; Y17-W43 VanDerWaalsContact CZ-CA 3.48Å; Y17-W43 WeakPolarHBondContact OH-CA 3.25Å; Y17-W43 PolarHBondContact OH-N 2.83Å; Y17-D46 VanDerWaalsContact CE1-O 3.28Å; Y17-D46 WeakPolarHBondContact CE1-O 3.2Å; Y17-Y49 HydrophobicContact CD1-CD1 4.19Å; Y17-Y49 HydrophobicContact CD1-CG 4.44Å
18E95.3Very high95.9Very high68 Ų6856.9 Ų56.932%0.31825%0.254SS..THydrogen-bonded Turntrans-62.4-48.9178.3-72.3166.6-141.400112.3C35 I36 Y49E18-C35 WeakPolarHBondContact OE1-CA 3.48Å; E18-C35 PolarHBondContact OE2-SG 3.44Å; E18-I36 PolarHBondContact OE1-N 3.17Å; E18-Y49 HydrophobicContact CG-CD2 4.48Å; E18-Y49 HydrophobicContact CG-CE2 3.61Å
19H95.3Very high96Very high105 Ų10554.5 Ų54.549%0.48625%0.249SC..THydrogen-bonded Turntrans-90.6-12.4-175.4-65.393.9000113.4C16 V21 H32 C35C16-H19 HydrophobicContact CB-CB 4.37Å; C16-H19 PolarHBondContact SG-N 3.35Å; C16-H19 PolarHBondContact SG-ND1 3.17Å; H19-V21 HydrophobicContact CB-CG1 4.39Å; H19-V21 HydrophobicContact CB-CG2 4.12Å; H19-V21 VanDerWaalsContact O-CG1 3.31Å; H19-V21 WeakPolarHBondContact O-CG1 3.35Å; H19-V21 PolarHBondContact O-N 3.5Å; H19-H32 AromaticContact CE1-CE1 3.88Å; H19-H32 AromaticContact CE1-ND1 3.69Å; H19-H32 AromaticContact CG-CE1 3.63Å; H19-H32 AromaticContact ND1-CE1 3.3Å; H19-H32 PolarHBondContact ND1-CE1 3.36Å; H19-H32 VanDerWaalsContact ND1-CE1 3.3Å; H19-H32 AromaticContact ND1-ND1 3.22Å; H19-H32 PolarHBondContact ND1-ND1 3.4Å; H19-C35 PolarHBondContact CE1-SG 2.94Å
20R95.7Very high96Very high175 Ų17552.5 Ų52.566%0.6624%0.241SC*.THydrogen-bonded Turntrans5547.9-175.9-55.5-179.2-179.9-172.6-2.6112.9F15 C16 Y17F15-R20 HydrophobicContact CE1-CB 4.33Å; F15-R20 VanDerWaalsContact CZ-CA 3.42Å; F15-R20 HydrophobicContact CZ-CB 4.05Å; C16-R20 VanDerWaalsContact O-CA 3.23Å; C16-R20 WeakPolarHBondContact O-CA 2.81Å; C16-R20 PolarHBondContact O-N 3.47Å; Y17-R20 WeakPolarHBondContact O-CG 3.13Å
21V96.2Very high96Very high23 Ų2353.7 Ų53.714%0.13925%0.252CS..EExtended strand (participates in β ladder)trans-135.9149.2-179.9-49.70000112.5K5 F15 C16 H19 V23K5-V21 HydrophobicContact CD-CB 4.03Å; K5-V21 HydrophobicContact CD-CG1 3.82Å; K5-V21 HydrophobicContact CG-CB 4.49Å; F15-V21 VanDerWaalsContact CD2-C 3.45Å; F15-V21 WeakPolarHBondContact CD2-O 3.49Å; C16-V21 HydrophobicContact CB-CG2 4.44Å; C16-V21 PolarHBondContact N-O 3.23Å; C16-V21 PolarHBondContact O-N 3.01Å; H19-V21 HydrophobicContact CB-CG1 4.39Å; H19-V21 HydrophobicContact CB-CG2 4.12Å; H19-V21 VanDerWaalsContact O-CG1 3.31Å; H19-V21 WeakPolarHBondContact O-CG1 3.35Å; H19-V21 PolarHBondContact O-N 3.5Å; V21-V23 HydrophobicContact CG2-CG1 3.81Å
22N97.1Very high96Very high31 Ų3149.8 Ų49.817%0.16623%0.227CC..EExtended strand (participates in β ladder)trans-69.2132.4167.7-67.5102.3000110.8L3 C4 T12 M14L3-N22 WeakPolarHBondContact O-CB 3.31Å; C4-N22 WeakPolarHBondContact CA-O 3.48Å; C4-N22 PolarHBondContact SG-O 3.17Å; T12-N22 HydrophobicContact CG2-CB 3.84Å; M14-N22 WeakPolarHBondContact O-CA 3.34Å
23V97.1Very high96Very high1 Ų151.8 Ų51.81%0.00625%0.245CC..  trans-124137.4-176-63.40000110.6T12 M14 C16 V21 C27 H32 V37T12-V23 VanDerWaalsContact CB-O 3.31Å; T12-V23 WeakPolarHBondContact CB-O 3.19Å; T12-V23 VanDerWaalsContact CG2-O 3.23Å; T12-V23 WeakPolarHBondContact CG2-O 3.26Å; T12-V23 PolarHBondContact OG1-O 3.43Å; M14-V23 HydrophobicContact CB-CG2 3.91Å; M14-V23 WeakPolarHBondContact CB-O 3.49Å; M14-V23 PolarHBondContact O-N 3.04Å; M14-V23 VanDerWaalsContact O-N 3.08Å; C16-V23 HydrophobicContact CB-CG1 3.81Å; V21-V23 HydrophobicContact CG2-CG1 3.81Å; V23-C27 HydrophobicContact CB-CB 4.49Å; V23-H32 VanDerWaalsContact CG1-CD2 3.48Å; V23-H32 WeakPolarHBondContact CG1-CD2 3.31Å; V23-H32 WeakPolarHBondContact CG1-NE2 3.25Å; V23-V37 HydrophobicContact CG2-CG1 3.61Å; V23-V37 HydrophobicContact CG2-CG2 4.17Å
24C96.9Very high96Very high3 Ų351.8 Ų51.82%0.0224%0.24CC..  trans-89.6169.9173.674.40000110.9C4 R10 Y26 C27 I28C4-C24 HydrophobicContact CB-CB 3.76Å; C4-C24 PolarHBondContact SG-N 3.06Å; R10-C24 HydrophobicContact CB-CB 3.99Å; C24-Y26 PolarHBondContact O-N 3.02Å; C24-C27 PolarHBondContact O-N 3.43Å; C24-C27 VanDerWaalsContact SG-SG 3.62Å; C24-I28 PolarHBondContact O-N 3.15Å
25E95.3Very high96Very high84 Ų8451.2 Ų51.239%0.39324%0.238SC..THydrogen-bonded Turntrans-62.5-14.5-177.5-57.3179.5147.200114.4M14 I28 I29 P115 I116M14-E25 HydrophobicContact CE-CB 4.17Å; M14-E25 HydrophobicContact CE-CG 3.44Å; M14-E25 VanDerWaalsContact CE-CG 3.44Å; E25-I28 VanDerWaalsContact O-CG2 3.28Å; E25-I28 WeakPolarHBondContact O-CG2 3.36Å; E25-I29 WeakPolarHBondContact O-CD1 3.37Å; E25-P115 HydrophobicContact CB-CG 3.55Å; E25-I116 HydrophobicContact CB-CD1 4.08Å; E25-I116 HydrophobicContact CB-CG1 4.14Å; E25-I116 HydrophobicContact CG-CD1 4.01Å
26Y96.4Very high96Very high70 Ų7052 Ų5228%0.27524%0.243SC..THydrogen-bonded Turntrans-87.7-48.5173.9-61.4-96.1000110.8R8 R10 C24 I28 I29 E30 P115R8-Y26 VanDerWaalsContact NH1-CB 3.3Å; R10-Y26 VanDerWaalsContact NH1-CE2 3.25Å; R10-Y26 PolarHBondContact NH2-OH 3Å; R10-Y26 VanDerWaalsContact NH2-OH 3.16Å; C24-Y26 PolarHBondContact O-N 3.02Å; Y26-I28 PolarHBondContact O-N 3.37Å; Y26-I29 PolarHBondContact O-N 3.44Å; Y26-E30 WeakPolarHBondContact O-CG 3.21Å; Y26-E30 PolarHBondContact O-N 3.09Å; Y26-P115 HydrophobicContact CD1-CB 4.32Å; Y26-P115 HydrophobicContact CD1-CG 4.48Å; Y26-P115 HydrophobicContact CD2-CG 4.44Å; Y26-P115 HydrophobicContact CE1-CB 4.24Å; Y26-P115 HydrophobicContact CE1-CG 4.31Å; Y26-P115 HydrophobicContact CE2-CG 4.18Å
27C97.3Very high96Very high2 Ų252 Ų521%0.01424%0.243CC..Hα-helixtrans-62.3-31.2179.7-63.80000112.2C6 V23 C24 I29 E31 H32C6-C27 WeakPolarHBondContact CB-SG 3.35Å; V23-C27 HydrophobicContact CB-CB 4.49Å; C24-C27 PolarHBondContact O-N 3.43Å; C24-C27 VanDerWaalsContact SG-SG 3.62Å; C27-I29 PolarHBondContact O-N 3.35Å; C27-E31 PolarHBondContact O-N 2.92Å; C27-H32 PolarHBondContact O-CD2 2.73Å; C27-H32 PolarHBondContact O-N 3.31Å
28I95.9Very high95.9Very high1 Ų153.4 Ų53.41%0.00525%0.25CC..Hα-helixtrans-61.1-26.4176.2-161.6176000113.1M14 C24 E25 Y26 H32 A33 V37 L73 I116M14-I28 HydrophobicContact SD-CD1 4.09Å; C24-I28 PolarHBondContact O-N 3.15Å; E25-I28 VanDerWaalsContact O-CG2 3.28Å; E25-I28 WeakPolarHBondContact O-CG2 3.36Å; Y26-I28 PolarHBondContact O-N 3.37Å; I28-H32 CarbonylContact O-C 3.4Å; I28-A33 WeakPolarHBondContact O-CA 3.32Å; I28-A33 PolarHBondContact O-N 3.38Å; I28-V37 HydrophobicContact CD1-CB 3.87Å; I28-V37 HydrophobicContact CD1-CG1 3.64Å; I28-V37 HydrophobicContact CD1-CG2 4.24Å; I28-V37 HydrophobicContact CG1-CB 4.32Å; I28-V37 HydrophobicContact CG1-CG1 4.3Å; I28-V37 HydrophobicContact CG1-CG2 4.12Å; I28-L73 HydrophobicContact CD1-CD2 3.77Å; I28-I116 HydrophobicContact CG2-CD1 4.01Å; I28-I116 HydrophobicContact CG2-CG1 3.92Å
29I95.3Very high95.9Very high60 Ų6052.5 Ų52.531%0.30825%0.247SC..Hα-helixtrans-95.8-44.8-179.7-58.8157.6000110.1E25 Y26 C27 P115 I116 A119E25-I29 WeakPolarHBondContact O-CD1 3.37Å; Y26-I29 PolarHBondContact O-N 3.44Å; C27-I29 PolarHBondContact O-N 3.35Å; I29-P115 HydrophobicContact CD1-CB 3.65Å; I29-P115 HydrophobicContact CD1-CG 4.42Å; I29-P115 WeakPolarHBondContact CD1-O 3.42Å; I29-I116 HydrophobicContact CD1-CG1 4.37Å; I29-A119 HydrophobicContact CD1-CB 3.88Å; I29-A119 HydrophobicContact CG1-CB 3.93Å; I29-A119 HydrophobicContact CG2-CB 3.93Å
30E95Very high95.8Very high109 Ų10951.1 Ų51.151%0.50924%0.238SC..Hα-helixtrans-73.7-46.4-173.7-67169.8167.700112.4R8 Y26R8-E30 IonicContact CZ-OE1 3.74Å; R8-E30 IonicContact CZ-OE2 3.55Å; R8-E30 IonicContact NH1-OE1 3.29Å; R8-E30 IonicContact NH1-OE2 2.8Å; R8-E30 PolarHBondContact NH1-OE2 3.3Å; R8-E30 IonicContact NH2-OE1 3.78Å; R8-E30 PolarHBondContact NH2-OE1 3.1Å; R8-E30 IonicContact NH2-OE2 2.87Å; R8-E30 PolarHBondContact NH2-OE2 3.35Å; Y26-E30 WeakPolarHBondContact O-CG 3.21Å; Y26-E30 PolarHBondContact O-N 3.09Å
31E95.1Very high95.7Very high135 Ų13547.8 Ų47.863%0.63123%0.233SC*.THydrogen-bonded Turntrans-119.3-21.5-167.8-66.5175.8-18000112.9C27C27-E31 PolarHBondContact O-N 2.92Å
32H95.8Very high95.5Very high14 Ų1449.2 Ų49.27%0.06524%0.244CC..  trans-122.131.2-175.9-60.2-77.1000112.6H19 V23 C27 I28 R34 C35 V37 R69H19-H32 AromaticContact CE1-CE1 3.88Å; H19-H32 AromaticContact CE1-ND1 3.69Å; H19-H32 AromaticContact CG-CE1 3.63Å; H19-H32 AromaticContact ND1-CE1 3.3Å; H19-H32 PolarHBondContact ND1-CE1 3.36Å; H19-H32 VanDerWaalsContact ND1-CE1 3.3Å; H19-H32 AromaticContact ND1-ND1 3.22Å; H19-H32 PolarHBondContact ND1-ND1 3.4Å; V23-H32 VanDerWaalsContact CG1-CD2 3.48Å; V23-H32 WeakPolarHBondContact CG1-CD2 3.31Å; V23-H32 WeakPolarHBondContact CG1-NE2 3.25Å; C27-H32 PolarHBondContact O-CD2 2.73Å; C27-H32 PolarHBondContact O-N 3.31Å; I28-H32 CarbonylContact O-C 3.4Å; H32-R34 PolarHBondContact O-N 3.09Å; H32-R34 VanDerWaalsContact O-N 3.16Å; H32-C35 HydrophobicContact CB-CB 3.94Å; H32-C35 PolarHBondContact O-N 3.34Å; H32-C35 VanDerWaalsContact O-N 3.12Å; H32-V37 HydrophobicContact CB-CG2 4.48Å; H32-R69 PolarHBondContact O-NH2 3.32Å
33A94.8Very high95.3Very high54 Ų5450.4 Ų50.445%0.44625%0.246SC..THydrogen-bonded Turntrans-53.8-38.6-176.800000113.2I28 R69I28-A33 WeakPolarHBondContact O-CA 3.32Å; I28-A33 PolarHBondContact O-N 3.38Å; A33-R69 PolarHBondContact O-NH2 3.48Å; A33-R69 VanDerWaalsContact O-NH2 3.15Å
34R95.3Very high95Very high106 Ų10655 Ų5540%0.427%0.27SS..THydrogen-bonded Turntrans-99.5-7.4-180-71.4-178.8159.8111.6-3114.7H32 L60 F65 C67 I75H32-R34 PolarHBondContact O-N 3.09Å; H32-R34 VanDerWaalsContact O-N 3.16Å; R34-L60 VanDerWaalsContact CD-O 3.22Å; R34-L60 WeakPolarHBondContact CD-O 3.36Å; R34-L60 PolarHBondContact NE-O 3.06Å; R34-L60 VanDerWaalsContact NE-O 3.16Å; R34-F65 PolarHBondContact NH2-O 3.39Å; R34-C67 HydrophobicContact CG-CB 4.44Å; R34-I75 WeakPolarHBondContact O-CD1 3.19Å
35C96.8Very high94.9Very high9 Ų961.8 Ų61.86%0.06131%0.307CS..SBendtrans-78.2146.8-172.3-60.10000112.7C16 E18 H19 H32 V37 R69 I75C16-C35 VanDerWaalsContact SG-CB 3.53Å; E18-C35 WeakPolarHBondContact OE1-CA 3.48Å; E18-C35 PolarHBondContact OE2-SG 3.44Å; H19-C35 PolarHBondContact CE1-SG 2.94Å; H32-C35 HydrophobicContact CB-CB 3.94Å; H32-C35 PolarHBondContact O-N 3.34Å; H32-C35 VanDerWaalsContact O-N 3.12Å; C35-V37 HydrophobicContact CB-CG2 4.37Å; C35-V37 PolarHBondContact O-N 3.14Å; C35-R69 PolarHBondContact O-NH1 3.19Å; C35-R69 PolarHBondContact O-NH2 2.92Å; C35-I75 WeakPolarHBondContact O-CD1 3.44Å
36I96.7Very high94.8Very high26 Ų2662.1 Ų62.113%0.13331%0.311CS..  trans-68.4119.3169.3-52.6-51.8000110.2Y17 E18 Y49 D50 L60 I75Y17-I36 PolarHBondContact N-O 3.43Å; E18-I36 PolarHBondContact OE1-N 3.17Å; I36-Y49 HydrophobicContact CB-CD2 4.07Å; I36-Y49 HydrophobicContact CB-CG 4.37Å; I36-Y49 HydrophobicContact CG1-CD2 3.71Å; I36-Y49 HydrophobicContact CG1-CE2 4.46Å; I36-Y49 HydrophobicContact CG1-CG 4.4Å; I36-D50 WeakPolarHBondContact CD1-O 3.5Å; I36-D50 WeakPolarHBondContact CG1-O 3.15Å; I36-L60 HydrophobicContact CD1-CD1 3.77Å; I36-I75 HydrophobicContact CD1-CD1 4.36Å
37V96.5Very high94.5Very high1 Ų161.8 Ų61.81%0.00632%0.319CS..EExtended strand (participates in β ladder)trans-133.7126.5-177.8177.30000108.6M14 F15 C16 V23 I28 H32 C35 L73M14-V37 HydrophobicContact CB-CG1 3.86Å; M14-V37 HydrophobicContact CG-CG1 4.49Å; F15-V37 WeakPolarHBondContact O-CA 3.45Å; C16-V37 HydrophobicContact CB-CG2 3.97Å; V23-V37 HydrophobicContact CG2-CG1 3.61Å; V23-V37 HydrophobicContact CG2-CG2 4.17Å; I28-V37 HydrophobicContact CD1-CB 3.87Å; I28-V37 HydrophobicContact CD1-CG1 3.64Å; I28-V37 HydrophobicContact CD1-CG2 4.24Å; I28-V37 HydrophobicContact CG1-CB 4.32Å; I28-V37 HydrophobicContact CG1-CG1 4.3Å; I28-V37 HydrophobicContact CG1-CG2 4.12Å; H32-V37 HydrophobicContact CB-CG2 4.48Å; C35-V37 HydrophobicContact CB-CG2 4.37Å; C35-V37 PolarHBondContact O-N 3.14Å; V37-L73 WeakPolarHBondContact O-CB 3.48Å
38Q95.1Very high94.4Very high44 Ų4467.7 Ų67.721%0.20635%0.35CS..EExtended strand (participates in β ladder)trans-140.3-173.2177.1-70.4-66.7-11.900110.1M14 F15 Y17 H74M14-Q38 CarbonylContact C-O 3.57Å; M14-Q38 WeakPolarHBondContact CA-O 3.44Å; F15-Q38 PolarHBondContact N-O 3.46Å; F15-Q38 PolarHBondContact O-N 2.85Å; F15-Q38 VanDerWaalsContact O-N 3.16Å; Y17-Q38 HydrophobicContact CE2-CB 3.7Å; Y17-Q38 HydrophobicContact CE2-CG 4.43Å; Q38-H74 PolarHBondContact NE2-CD2 3.36Å; Q38-H74 PolarHBondContact NE2-NE2 3.21Å; Q38-H74 VanDerWaalsContact NE2-NE2 3.14Å
39N94Very high94.3Very high50 Ų5072.8 Ų72.827%0.26737%0.37SS..EExtended strand (participates in β ladder)trans-63.2138.4171.7-171-19.6000110.5Q13 L41 S42 W43Q13-N39 CarbonylContact O-C 3.6Å; Q13-N39 WeakPolarHBondContact O-CA 3.37Å; Q13-N39 PolarHBondContact O-OD1 3.3Å; N39-L41 PolarHBondContact O-N 2.98Å; N39-L41 PolarHBondContact OD1-N 3.24Å; N39-S42 WeakPolarHBondContact O-CA 3.47Å; N39-S42 VanDerWaalsContact O-CB 3.3Å; N39-S42 WeakPolarHBondContact O-CB 3.37Å; N39-S42 PolarHBondContact O-N 3.47Å; N39-W43 PolarHBondContact O-N 3.44Å
40Y93.5Very high94.2Very high75 Ų7574.9 Ų74.929%0.29438%0.382SS..Hα-helixtrans-52.2-35.8172-178.4-114.5000113.3Q13 F15 S42 W43 L44Q13-Y40 PolarHBondContact O-N 3.42Å; F15-Y40 HydrophobicContact CB-CD2 4.1Å; F15-Y40 AromaticContact CD2-CD2 3.48Å; F15-Y40 HydrophobicContact CD2-CD2 3.48Å; F15-Y40 VanDerWaalsContact CD2-CD2 3.48Å; F15-Y40 AromaticContact CD2-CE2 3.98Å; F15-Y40 HydrophobicContact CD2-CE2 3.98Å; F15-Y40 AromaticContact CE2-CD2 3.95Å; F15-Y40 HydrophobicContact CE2-CD2 3.95Å; F15-Y40 AromaticContact CE2-CE2 3.95Å; F15-Y40 HydrophobicContact CE2-CE2 3.95Å; F15-Y40 AromaticContact CG-CD2 3.82Å; F15-Y40 HydrophobicContact CG-CD2 3.82Å; Y40-S42 VanDerWaalsContact C-N 3.32Å; Y40-S42 PolarHBondContact O-N 3.03Å; Y40-W43 AromaticContact CD2-CE3 4Å; Y40-W43 HydrophobicContact CD2-CE3 4Å; Y40-W43 AromaticContact CE2-CE3 3.57Å; Y40-W43 HydrophobicContact CE2-CE3 3.57Å; Y40-W43 AromaticContact CE2-CZ3 3.73Å; Y40-W43 HydrophobicContact CE2-CZ3 3.73Å; Y40-W43 PolarHBondContact O-N 3.29Å; Y40-L44 HydrophobicContact CD1-CD1 4.11Å; Y40-L44 HydrophobicContact CE1-CD1 3.64Å; Y40-L44 HydrophobicContact CE1-CD2 4.49Å; Y40-L44 HydrophobicContact CE1-CG 4.12Å; Y40-L44 HydrophobicContact CE2-CG 4.46Å; Y40-L44 PolarHBondContact O-N 2.92Å; Y40-L44 VanDerWaalsContact O-N 3.13Å
41L93Very high94.2Very high106 Ų10672 Ų7256%0.55537%0.37SS*.Hα-helixtrans-64.5-36.2175.3-66179.7000112.4N39 W43 L44 N45N39-L41 PolarHBondContact O-N 2.98Å; N39-L41 PolarHBondContact OD1-N 3.24Å; L41-W43 VanDerWaalsContact C-N 3.31Å; L41-L44 HydrophobicContact CD2-CD1 4.44Å; L41-L44 PolarHBondContact O-N 3.01Å; L41-N45 PolarHBondContact O-N 3.06Å; L41-N45 PolarHBondContact O-ND2 3.08Å
42S92.3Very high94.3Very high52 Ų5267 Ų6736%0.36435%0.349SS..Hα-helixtrans-64.1-40.2174.9-56.60000110.7Y17 N39 Y40 L44 N45 D46Y17-S42 VanDerWaalsContact OH-CB 3.26Å; Y17-S42 WeakPolarHBondContact OH-CB 3.42Å; Y17-S42 PolarHBondContact OH-O 3.33Å; N39-S42 WeakPolarHBondContact O-CA 3.47Å; N39-S42 VanDerWaalsContact O-CB 3.3Å; N39-S42 WeakPolarHBondContact O-CB 3.37Å; N39-S42 PolarHBondContact O-N 3.47Å; Y40-S42 VanDerWaalsContact C-N 3.32Å; Y40-S42 PolarHBondContact O-N 3.03Å; S42-L44 VanDerWaalsContact C-N 3.34Å; S42-L44 PolarHBondContact O-N 3.27Å; S42-N45 PolarHBondContact O-N 3.01Å; S42-D46 PolarHBondContact O-N 3.14Å; S42-D46 VanDerWaalsContact O-O 3.08Å
43W92.3Very high94.4Very high56 Ų5666.4 Ų66.421%0.21235%0.346CS..Hα-helixtrans-66.3-36.1179.917676.6000112.7F15 Y17 N39 Y40 L41 N45 D46F15-W43 HydrophobicContact CD1-CB 3.9Å; F15-W43 AromaticContact CD1-CD1 3.83Å; F15-W43 AromaticContact CD1-CD2 3.86Å; F15-W43 HydrophobicContact CD1-CD2 3.86Å; F15-W43 HydrophobicContact CD1-CE3 4.47Å; F15-W43 AromaticContact CD1-CG 3.54Å; F15-W43 HydrophobicContact CD1-CG 3.54Å; F15-W43 HydrophobicContact CE1-CB 4.35Å; F15-W43 AromaticContact CE1-CD1 3.62Å; F15-W43 AromaticContact CE1-CD2 3.41Å; F15-W43 HydrophobicContact CE1-CD2 3.41Å; F15-W43 VanDerWaalsContact CE1-CD2 3.41Å; F15-W43 AromaticContact CE1-CE2 3.47Å; F15-W43 VanDerWaalsContact CE1-CE2 3.47Å; F15-W43 HydrophobicContact CE1-CE3 4.04Å; F15-W43 AromaticContact CE1-CG 3.52Å; F15-W43 HydrophobicContact CE1-CG 3.52Å; F15-W43 HydrophobicContact CE1-CZ2 4.13Å; F15-W43 AromaticContact CE1-NE1 3.57Å; F15-W43 AromaticContact CZ-CD2 3.93Å; F15-W43 HydrophobicContact CZ-CD2 3.93Å; F15-W43 AromaticContact CZ-CE2 3.94Å; F15-W43 HydrophobicContact CZ-CE3 4.14Å; F15-W43 HydrophobicContact CZ-CG 4.46Å; F15-W43 HydrophobicContact CZ-CH2 4.35Å; F15-W43 HydrophobicContact CZ-CZ2 4.16Å; F15-W43 HydrophobicContact CZ-CZ3 4.34Å; Y17-W43 AromaticContact CD1-CD1 3.75Å; Y17-W43 HydrophobicContact CD2-CB 4.32Å; Y17-W43 HydrophobicContact CE1-CB 4.15Å; Y17-W43 AromaticContact CE1-CD1 3.84Å; Y17-W43 HydrophobicContact CE1-CG 4.42Å; Y17-W43 HydrophobicContact CE2-CB 3.61Å; Y17-W43 HydrophobicContact CE2-CG 4.25Å; Y17-W43 AromaticContact CG-CD1 3.9Å; Y17-W43 VanDerWaalsContact CZ-CA 3.48Å; Y17-W43 WeakPolarHBondContact OH-CA 3.25Å; Y17-W43 PolarHBondContact OH-N 2.83Å; N39-W43 PolarHBondContact O-N 3.44Å; Y40-W43 AromaticContact CD2-CE3 4Å; Y40-W43 HydrophobicContact CD2-CE3 4Å; Y40-W43 AromaticContact CE2-CE3 3.57Å; Y40-W43 HydrophobicContact CE2-CE3 3.57Å; Y40-W43 AromaticContact CE2-CZ3 3.73Å; Y40-W43 HydrophobicContact CE2-CZ3 3.73Å; Y40-W43 PolarHBondContact O-N 3.29Å; L41-W43 VanDerWaalsContact C-N 3.31Å; W43-N45 VanDerWaalsContact C-N 3.28Å; W43-N45 PolarHBondContact O-N 3.44Å; W43-D46 WeakPolarHBondContact CA-O 3.15Å; W43-D46 CarbonylContact O-C 3.07Å
44L92.4Very high94.4Very high97 Ų9766.5 Ų66.551%0.50834%0.342SS..Hα-helixtrans-66.2-31.9175.4-73175.9000112.7Y40 L41 S42Y40-L44 HydrophobicContact CD1-CD1 4.11Å; Y40-L44 HydrophobicContact CE1-CD1 3.64Å; Y40-L44 HydrophobicContact CE1-CD2 4.49Å; Y40-L44 HydrophobicContact CE1-CG 4.12Å; Y40-L44 HydrophobicContact CE2-CG 4.46Å; Y40-L44 PolarHBondContact O-N 2.92Å; Y40-L44 VanDerWaalsContact O-N 3.13Å; L41-L44 HydrophobicContact CD2-CD1 4.44Å; L41-L44 PolarHBondContact O-N 3.01Å; S42-L44 VanDerWaalsContact C-N 3.34Å; S42-L44 PolarHBondContact O-N 3.27Å
45N93.9Very high94.5Very high147 Ų14764.3 Ų64.379%0.78634%0.338SS*.Hα-helixtrans-81.1-42.7179-69.3-22.4000111.8L41 S42 W43L41-N45 PolarHBondContact O-N 3.06Å; L41-N45 PolarHBondContact O-ND2 3.08Å; S42-N45 PolarHBondContact O-N 3.01Å; W43-N45 VanDerWaalsContact C-N 3.28Å; W43-N45 PolarHBondContact O-N 3.44Å
46D92.6Very high94.5Very high91 Ų9166.3 Ų66.349%0.48735%0.351SS..  trans-146116.4179.3-172.5-3.3000109.3Y17 S42 W43 D48Y17-D46 VanDerWaalsContact CE1-O 3.28Å; Y17-D46 WeakPolarHBondContact CE1-O 3.2Å; S42-D46 PolarHBondContact O-N 3.14Å; S42-D46 VanDerWaalsContact O-O 3.08Å; W43-D46 WeakPolarHBondContact CA-O 3.15Å; W43-D46 CarbonylContact O-C 3.07Å; D46-D48 WeakPolarHBondContact OD1-CB 3.37Å; D46-D48 PolarHBondContact OD1-N 3.21Å
47S91.7Very high94.4Very high62 Ų6268.7 Ų68.743%0.43438%0.375SS..  trans-91.1-6.9179.665.90000113.3
48D93.9Very high94.5Very high126 Ų12671.1 Ų71.167%0.67439%0.39SS*.  trans-72.5148.2176.4-66.3-20.9000109.9D46D46-D48 WeakPolarHBondContact OD1-CB 3.37Å; D46-D48 PolarHBondContact OD1-N 3.21Å
49Y93.6Very high94.5Very high109 Ų10974.5 Ų74.543%0.42740%0.404SS..  trans-149.1152.4179.165.3-86.9000111Y17 E18 I36 D51Y17-Y49 HydrophobicContact CD1-CD1 4.19Å; Y17-Y49 HydrophobicContact CD1-CG 4.44Å; E18-Y49 HydrophobicContact CG-CD2 4.48Å; E18-Y49 HydrophobicContact CG-CE2 3.61Å; I36-Y49 HydrophobicContact CB-CD2 4.07Å; I36-Y49 HydrophobicContact CB-CG 4.37Å; I36-Y49 HydrophobicContact CG1-CD2 3.71Å; I36-Y49 HydrophobicContact CG1-CE2 4.46Å; I36-Y49 HydrophobicContact CG1-CG 4.4Å; Y49-D51 HydrophobicContact CD2-CB 4.5Å; Y49-D51 HydrophobicContact CE2-CB 4.3Å
50D93.8Very high94.6Very high103 Ų10372.3 Ų72.355%0.55139%0.392SS*.  trans-105.7121.8173.1-173.9-7.1000109I36 T52I36-D50 WeakPolarHBondContact CD1-O 3.5Å; I36-D50 WeakPolarHBondContact CG1-O 3.15Å; D50-T52 VanDerWaalsContact C-N 3.29Å; D50-T52 VanDerWaalsContact OD1-CB 3.27Å; D50-T52 WeakPolarHBondContact OD1-CB 3.32Å; D50-T52 WeakPolarHBondContact OD1-CG2 3.45Å; D50-T52 PolarHBondContact OD1-N 3.22Å; D50-T52 PolarHBondContact OD1-OG1 2.8Å; D50-T52 PolarHBondContact OD2-OG1 2.62Å; D50-T52 VanDerWaalsContact OD2-OG1 3.1Å
51D95.1Very high94.6Very high50 Ų5072.1 Ų72.127%0.26740%0.402SS..  trans-91.414.4178.877.5-24.8000112.9Y49 L60Y49-D51 HydrophobicContact CD2-CB 4.5Å; Y49-D51 HydrophobicContact CE2-CB 4.3Å; D51-L60 WeakPolarHBondContact O-CB 3.42Å; D51-L60 WeakPolarHBondContact O-CG 3.43Å; D51-L60 PolarHBondContact O-N 3.41Å
52T97.1Very high94.7Very high30 Ų3068.9 Ų68.918%0.18439%0.385CS..BIsolated β-bridgetrans-100153.4178.572.40000113.3D50 P54 V58 K59D50-T52 VanDerWaalsContact C-N 3.29Å; D50-T52 VanDerWaalsContact OD1-CB 3.27Å; D50-T52 WeakPolarHBondContact OD1-CB 3.32Å; D50-T52 WeakPolarHBondContact OD1-CG2 3.45Å; D50-T52 PolarHBondContact OD1-N 3.22Å; D50-T52 PolarHBondContact OD1-OG1 2.8Å; D50-T52 PolarHBondContact OD2-OG1 2.62Å; D50-T52 VanDerWaalsContact OD2-OG1 3.1Å; T52-P54 WeakPolarHBondContact O-CD 3.36Å; T52-V58 CarbonylContact C-O 3.56Å; T52-V58 WeakPolarHBondContact CA-O 3.42Å; T52-K59 HydrophobicContact CG2-CG 4.3Å
53C97.2Very high94.7Very high0 Ų071.5 Ų71.50%040%0.401CS..  trans-71.8126.9173.7179.10000110L55 C56 A57 V58 L60 H77C53-L55 PolarHBondContact O-N 3.06Å; C53-C56 PolarHBondContact O-N 3.5Å; C53-A57 WeakPolarHBondContact O-CA 3.3Å; C53-A57 PolarHBondContact O-N 2.93Å; C53-V58 PolarHBondContact N-O 2.95Å; C53-L60 HydrophobicContact CB-CD2 3.86Å; C53-H77 VanDerWaalsContact CB-CE1 3.47Å; C53-H77 WeakPolarHBondContact CB-CE1 3.4Å; C53-H77 WeakPolarHBondContact CB-ND1 3.28Å; C53-H77 PolarHBondContact SG-N 3.44Å; C53-H77 VanDerWaalsContact SG-N 3.37Å
54P95.6Very high94.8Very high56 Ų5675 Ų7536%0.36442%0.424SS..THydrogen-bonded Turntrans-62.8-13.3-177.4-23.632.5000115.7T52 F76 L101T52-P54 WeakPolarHBondContact O-CD 3.36Å; P54-F76 HydrophobicContact CB-CE1 3.91Å; P54-F76 HydrophobicContact CG-CD1 4.25Å; P54-F76 HydrophobicContact CG-CE1 3.75Å; P54-F76 HydrophobicContact CG-CZ 4.26Å; P54-L101 HydrophobicContact CB-CD1 4.37Å; P54-L101 HydrophobicContact CB-CD2 4Å; P54-L101 HydrophobicContact CB-CG 4.22Å; P54-L101 HydrophobicContact CG-CD1 3.62Å; P54-L101 HydrophobicContact CG-CD2 4.13Å; P54-L101 HydrophobicContact CG-CG 4.01Å
55L96.9Very high94.9Very high61 Ų6172.9 Ų72.932%0.31941%0.41SS..THydrogen-bonded Turntrans-97.8-28.8-176.1-67.4174.1000113.4C53 F76 C80 W84 T100C53-L55 PolarHBondContact O-N 3.06Å; L55-F76 HydrophobicContact CD1-CD1 3.71Å; L55-F76 HydrophobicContact CD1-CE1 4.34Å; L55-F76 HydrophobicContact CG-CD1 3.84Å; L55-F76 HydrophobicContact CG-CE1 4.17Å; L55-C80 HydrophobicContact CB-CB 3.8Å; L55-C80 VanDerWaalsContact CD1-C 3.47Å; L55-C80 HydrophobicContact CD1-CB 3.8Å; L55-C80 WeakPolarHBondContact CD1-O 3.23Å; L55-C80 HydrophobicContact CG-CB 4.45Å; L55-W84 HydrophobicContact CD1-CB 4.03Å; L55-W84 HydrophobicContact CD2-CB 4.36Å; L55-W84 HydrophobicContact CD2-CG 4.41Å; L55-T100 HydrophobicContact CD2-CG2 4.18Å
56C96.6Very high95Very high50 Ų5068.7 Ų68.734%0.33839%0.393SS..THydrogen-bonded Turntrans-126.9-4-178.270.60000114.3C53 V58 H77C53-C56 PolarHBondContact O-N 3.5Å; C56-V58 HydrophobicContact CB-CG2 4.49Å; C56-V58 PolarHBondContact O-N 3.16Å; C56-V58 VanDerWaalsContact O-N 3.11Å; C56-H77 PolarHBondContact SG-ND1 3.33Å
57A95.9Very high95.1Very high76 Ų7666 Ų6663%0.62838%0.38SS*.  trans56.520.3-177.400000114.8C53C53-A57 WeakPolarHBondContact O-CA 3.3Å; C53-A57 PolarHBondContact O-N 2.93Å
58V96.9Very high95.3Very high52 Ų5263.2 Ų63.232%0.31536%0.361SS..  trans-94.1146.6172.8-179.80000109.1T52 C53 C56 D62 F65 H77T52-V58 CarbonylContact C-O 3.56Å; T52-V58 WeakPolarHBondContact CA-O 3.42Å; C53-V58 PolarHBondContact N-O 2.95Å; C56-V58 HydrophobicContact CB-CG2 4.49Å; C56-V58 PolarHBondContact O-N 3.16Å; C56-V58 VanDerWaalsContact O-N 3.11Å; V58-D62 HydrophobicContact CG1-CB 4.45Å; V58-F65 HydrophobicContact CG1-CD2 4.41Å; V58-F65 HydrophobicContact CG1-CE2 3.96Å; V58-H77 PolarHBondContact O-CE1 3.04Å
59K96.8Very high95.5Very high115 Ų11558.4 Ų58.450%0.533%0.333SS..BIsolated β-bridgetrans-57.2138.8-179.5-68.4-169.9172-170.40113.1T52 S61 D62 H77T52-K59 HydrophobicContact CG2-CG 4.3Å; K59-S61 PolarHBondContact O-N 2.91Å; K59-D62 WeakPolarHBondContact O-CB 3.35Å; K59-D62 PolarHBondContact O-N 3.48Å; K59-H77 PolarHBondContact O-NE2 3.37Å
60L95.9Very high95.6Very high4 Ų453.2 Ų53.22%0.02131%0.313CS..THydrogen-bonded Turntrans-70.4-21.9174.4-64.5169.8000112.3R34 I36 D51 C53 D62 C67 I75R34-L60 VanDerWaalsContact CD-O 3.22Å; R34-L60 WeakPolarHBondContact CD-O 3.36Å; R34-L60 PolarHBondContact NE-O 3.06Å; R34-L60 VanDerWaalsContact NE-O 3.16Å; I36-L60 HydrophobicContact CD1-CD1 3.77Å; D51-L60 WeakPolarHBondContact O-CB 3.42Å; D51-L60 WeakPolarHBondContact O-CG 3.43Å; D51-L60 PolarHBondContact O-N 3.41Å; C53-L60 HydrophobicContact CB-CD2 3.86Å; L60-D62 VanDerWaalsContact C-N 3.25Å; L60-D62 PolarHBondContact O-N 3.49Å; L60-C67 PolarHBondContact O-SG 3.31Å; L60-I75 HydrophobicContact CD1-CB 3.91Å; L60-I75 HydrophobicContact CD1-CD1 4.25Å; L60-I75 HydrophobicContact CD1-CG2 4.18Å; L60-I75 HydrophobicContact CD2-CB 4.26Å; L60-I75 HydrophobicContact CD2-CG2 3.84Å
61S93.6Very high95.7Very high72 Ų7250.1 Ų50.150%0.50330%0.296SS..THydrogen-bonded Turntrans-75.1-8.9174.853.10000114K59 P63K59-S61 PolarHBondContact O-N 2.91Å; S61-P63 WeakPolarHBondContact O-CD 3.47Å
62D94.4Very high95.7Very high37 Ų3748.9 Ų48.920%0.19829%0.291CS..  trans-65.2120.8179-171.3-26.5000110.9V58 K59 L60 N64 F65V58-D62 HydrophobicContact CG1-CB 4.45Å; K59-D62 WeakPolarHBondContact O-CB 3.35Å; K59-D62 PolarHBondContact O-N 3.48Å; L60-D62 VanDerWaalsContact C-N 3.25Å; L60-D62 PolarHBondContact O-N 3.49Å; D62-N64 PolarHBondContact O-N 3.2Å; D62-N64 VanDerWaalsContact OD1-CB 3.24Å; D62-N64 WeakPolarHBondContact OD1-CB 3.45Å; D62-N64 VanDerWaalsContact OD1-CG 3.32Å; D62-N64 PolarHBondContact OD1-N 2.99Å; D62-N64 PolarHBondContact OD1-ND2 3.28Å; D62-F65 HydrophobicContact CB-CD2 3.95Å; D62-F65 PolarHBondContact O-N 3.11Å
63P93Very high95.7Very high108 Ų10848.6 Ų48.670%0.70129%0.288SS*.THydrogen-bonded Turntrans-68.1-17.8-178.928.9-36.3000113.7S61 F65S61-P63 WeakPolarHBondContact O-CD 3.47Å; P63-F65 PolarHBondContact O-N 2.97Å
64N94.9Very high95.7Very high129 Ų12950.4 Ų50.469%0.6930%0.297SS*.THydrogen-bonded Turntrans-70.5-18.2179-61.3-49.6000112.8D62D62-N64 PolarHBondContact O-N 3.2Å; D62-N64 VanDerWaalsContact OD1-CB 3.24Å; D62-N64 WeakPolarHBondContact OD1-CB 3.45Å; D62-N64 VanDerWaalsContact OD1-CG 3.32Å; D62-N64 PolarHBondContact OD1-N 2.99Å; D62-N64 PolarHBondContact OD1-ND2 3.28Å
65F93.9Very high95.7Very high52 Ų5248.1 Ų48.123%0.22828%0.281CS..SBendtrans-114.9132.4-177.5-60.2-87.6000111.8R34 V58 D62 P63 H77R34-F65 PolarHBondContact NH2-O 3.39Å; V58-F65 HydrophobicContact CG1-CD2 4.41Å; V58-F65 HydrophobicContact CG1-CE2 3.96Å; D62-F65 HydrophobicContact CB-CD2 3.95Å; D62-F65 PolarHBondContact O-N 3.11Å; P63-F65 PolarHBondContact O-N 2.97Å; F65-H77 HydrophobicContact CB-CB 4.32Å; F65-H77 WeakPolarHBondContact CB-CD2 3.37Å; F65-H77 WeakPolarHBondContact CB-NE2 3.48Å; F65-H77 HydrophobicContact CD1-CB 4.47Å; F65-H77 AromaticContact CG-CD2 3.86Å; F65-H77 AromaticContact CG-NE2 3.87Å
66S94.7Very high95.7Very high60 Ų6045.3 Ų45.342%0.4227%0.266SS..  trans-75.3142.1164.652.60000110.1H77 T78S66-H77 CarbonylContact O-C 3.59Å; S66-H77 VanDerWaalsContact O-CA 3.22Å; S66-H77 WeakPolarHBondContact O-CA 3.31Å; S66-T78 PolarHBondContact O-N 2.97Å; S66-T78 PolarHBondContact OG-OG1 3.07Å
67C96.2Very high95.8Very high33 Ų3342.9 Ų42.922%0.22325%0.25CS..EExtended strand (participates in β ladder)trans-114.1145.7179.2-670000110.2R34 L60 I75 F76R34-C67 HydrophobicContact CG-CB 4.44Å; L60-C67 PolarHBondContact O-SG 3.31Å; C67-I75 HydrophobicContact CB-CG2 3.76Å; C67-F76 CarbonylContact C-O 3.58Å; C67-F76 WeakPolarHBondContact CA-O 3.08Å
68V96.1Very high95.8Very high4 Ų440.3 Ų40.32%0.02423%0.227CC..EExtended strand (participates in β ladder)trans-123.9132.6171.462.70000109.1I75 F76 L81 L120 L124V68-I75 WeakPolarHBondContact O-CA 3.2Å; V68-F76 PolarHBondContact N-O 2.75Å; V68-F76 PolarHBondContact O-N 3.33Å; V68-L81 HydrophobicContact CG1-CD2 3.69Å; V68-L120 HydrophobicContact CG2-CD1 3.79Å; V68-L124 HydrophobicContact CG2-CD2 4.25Å; V68-L124 HydrophobicContact CG2-CG 4.33Å
69R96.9Very high95.7Very high25 Ų2542.5 Ų42.59%0.09423%0.233CC..EExtended strand (participates in β ladder)trans-98127.1174.5-174.4-179.4-58.8-82.73.6109.5H32 A33 C35 L73 I75H32-R69 PolarHBondContact O-NH2 3.32Å; A33-R69 PolarHBondContact O-NH2 3.48Å; A33-R69 VanDerWaalsContact O-NH2 3.15Å; C35-R69 PolarHBondContact O-NH1 3.19Å; C35-R69 PolarHBondContact O-NH2 2.92Å; R69-L73 PolarHBondContact NH1-O 3.33Å; R69-I75 HydrophobicContact CG-CG1 4.4Å; R69-I75 VanDerWaalsContact NH1-CG1 3.34Å; R69-I75 VanDerWaalsContact NH2-CD1 3.26Å
70L96.9Very high95.7Very high1 Ų138 Ų381%0.00522%0.216CC..  trans-79.6167.6176.2-55-172.5000111.6C72 L73 H74 F76 L81 C99 I106 L120L70-C72 PolarHBondContact O-N 2.95Å; L70-L73 WeakPolarHBondContact O-CA 3.39Å; L70-L73 PolarHBondContact O-N 2.99Å; L70-H74 PolarHBondContact N-O 3.03Å; L70-F76 HydrophobicContact CD1-CD2 3.83Å; L70-F76 HydrophobicContact CD1-CE2 3.44Å; L70-F76 VanDerWaalsContact CD1-CE2 3.44Å; L70-F76 HydrophobicContact CD1-CZ 4.45Å; L70-F76 HydrophobicContact CG-CD2 3.96Å; L70-F76 HydrophobicContact CG-CE2 4Å; L70-L81 HydrophobicContact CD2-CD2 3.99Å; L70-C99 HydrophobicContact CD1-CB 3.78Å; L70-I106 HydrophobicContact CD1-CG1 4.06Å; L70-I106 HydrophobicContact CD2-CG1 4.45Å; L70-I106 HydrophobicContact CD2-CG2 4.1Å; L70-L120 HydrophobicContact CD2-CD1 4Å
71L95.5Very high95.8Very high38 Ų3837.9 Ų37.920%0.19922%0.216CC..THydrogen-bonded Turntrans-61.8-26.5175.2-57.3179.7000113.1L73 P108 I116 V117 L120L71-L73 PolarHBondContact O-N 3.02Å; L71-P108 VanDerWaalsContact CD1-CA 3.49Å; L71-P108 HydrophobicContact CD1-CB 3.85Å; L71-I116 HydrophobicContact CD2-CG2 4.09Å; L71-V117 HydrophobicContact CD2-CB 4.47Å; L71-V117 HydrophobicContact CD2-CG2 3.82Å; L71-L120 HydrophobicContact CD1-CD2 4.29Å; L71-L120 HydrophobicContact CD2-CD2 3.8Å; L71-L120 HydrophobicContact CG-CD2 3.66Å
72C95.6Very high95.8Very high23 Ų2336.2 Ų36.216%0.15520%0.201CC..THydrogen-bonded Turntrans-80.612.6172.667.70000113.5L70 H74 T104L70-C72 PolarHBondContact O-N 2.95Å; C72-H74 PolarHBondContact O-N 3.26Å; C72-H74 PolarHBondContact SG-ND1 3.31Å; C72-H74 VanDerWaalsContact SG-ND1 3.44Å; C72-T104 HydrophobicContact CB-CG2 4.17Å
73L96Very high95.9Very high24 Ų2441.4 Ų41.413%0.12622%0.222CC..SBendtrans69.3-11.3178.6-49.2178000117.1M14 I28 V37 R69 L70 L71 I116M14-L73 HydrophobicContact CG-CD1 3.95Å; M14-L73 HydrophobicContact SD-CD1 4.19Å; M14-L73 HydrophobicContact SD-CD2 3.95Å; I28-L73 HydrophobicContact CD1-CD2 3.77Å; V37-L73 WeakPolarHBondContact O-CB 3.48Å; R69-L73 PolarHBondContact NH1-O 3.33Å; L70-L73 WeakPolarHBondContact O-CA 3.39Å; L70-L73 PolarHBondContact O-N 2.99Å; L71-L73 PolarHBondContact O-N 3.02Å; L73-I116 HydrophobicContact CD2-CD1 4.16Å
74H96.5Very high96.1Very high39 Ų3938.5 Ų38.518%0.18120%0.197CC..  trans-63.4148171.9-64.9127.5000112.5Q38 L70 C72 F76 C99 L101Q38-H74 PolarHBondContact NE2-CD2 3.36Å; Q38-H74 PolarHBondContact NE2-NE2 3.21Å; Q38-H74 VanDerWaalsContact NE2-NE2 3.14Å; L70-H74 PolarHBondContact N-O 3.03Å; C72-H74 PolarHBondContact O-N 3.26Å; C72-H74 PolarHBondContact SG-ND1 3.31Å; C72-H74 VanDerWaalsContact SG-ND1 3.44Å; H74-F76 HydrophobicContact CB-CE2 3.83Å; H74-F76 HydrophobicContact CB-CZ 4.4Å; H74-C99 PolarHBondContact ND1-SG 3.45Å; H74-L101 HydrophobicContact CB-CD1 4.15Å
75I96.9Very high96.1Very high8 Ų832.5 Ų32.54%0.04117%0.165CC..EExtended strand (participates in β ladder)trans-116.6138.4-176.1-47.9175.6000109.5R34 C35 I36 L60 C67 V68 R69R34-I75 WeakPolarHBondContact O-CD1 3.19Å; C35-I75 WeakPolarHBondContact O-CD1 3.44Å; I36-I75 HydrophobicContact CD1-CD1 4.36Å; L60-I75 HydrophobicContact CD1-CB 3.91Å; L60-I75 HydrophobicContact CD1-CD1 4.25Å; L60-I75 HydrophobicContact CD1-CG2 4.18Å; L60-I75 HydrophobicContact CD2-CB 4.26Å; L60-I75 HydrophobicContact CD2-CG2 3.84Å; C67-I75 HydrophobicContact CB-CG2 3.76Å; V68-I75 WeakPolarHBondContact O-CA 3.2Å; R69-I75 HydrophobicContact CG-CG1 4.4Å; R69-I75 VanDerWaalsContact NH1-CG1 3.34Å; R69-I75 VanDerWaalsContact NH2-CD1 3.26Å
76F97.3Very high96Very high1 Ų136.4 Ų36.40%0.00418%0.184CC..EExtended strand (participates in β ladder)trans-131.6153.7173.2-61.2-93.1000109P54 L55 C67 V68 L70 H74 T78 L81 T100 L101P54-F76 HydrophobicContact CB-CE1 3.91Å; P54-F76 HydrophobicContact CG-CD1 4.25Å; P54-F76 HydrophobicContact CG-CE1 3.75Å; P54-F76 HydrophobicContact CG-CZ 4.26Å; L55-F76 HydrophobicContact CD1-CD1 3.71Å; L55-F76 HydrophobicContact CD1-CE1 4.34Å; L55-F76 HydrophobicContact CG-CD1 3.84Å; L55-F76 HydrophobicContact CG-CE1 4.17Å; C67-F76 CarbonylContact C-O 3.58Å; C67-F76 WeakPolarHBondContact CA-O 3.08Å; V68-F76 PolarHBondContact N-O 2.75Å; V68-F76 PolarHBondContact O-N 3.33Å; L70-F76 HydrophobicContact CD1-CD2 3.83Å; L70-F76 HydrophobicContact CD1-CE2 3.44Å; L70-F76 VanDerWaalsContact CD1-CE2 3.44Å; L70-F76 HydrophobicContact CD1-CZ 4.45Å; L70-F76 HydrophobicContact CG-CD2 3.96Å; L70-F76 HydrophobicContact CG-CE2 4Å; H74-F76 HydrophobicContact CB-CE2 3.83Å; H74-F76 HydrophobicContact CB-CZ 4.4Å; F76-T78 PolarHBondContact O-N 2.81Å; F76-L81 HydrophobicContact CB-CB 4.17Å; F76-L81 HydrophobicContact CG-CD1 4.41Å; F76-T100 WeakPolarHBondContact CE1-OG1 3.46Å; F76-L101 HydrophobicContact CZ-CD1 4.42Å; F76-L101 HydrophobicContact CZ-CG 4.37Å
77H97.2Very high96Very high0 Ų037.9 Ų37.90%020%0.195CC..EExtended strand (participates in β ladder)trans-65.1132.9161.6-62.1130.1000108.8C53 C56 V58 K59 F65 S66 Q79 C80 L81C53-H77 VanDerWaalsContact CB-CE1 3.47Å; C53-H77 WeakPolarHBondContact CB-CE1 3.4Å; C53-H77 WeakPolarHBondContact CB-ND1 3.28Å; C53-H77 PolarHBondContact SG-N 3.44Å; C53-H77 VanDerWaalsContact SG-N 3.37Å; C56-H77 PolarHBondContact SG-ND1 3.33Å; V58-H77 PolarHBondContact O-CE1 3.04Å; K59-H77 PolarHBondContact O-NE2 3.37Å; F65-H77 HydrophobicContact CB-CB 4.32Å; F65-H77 WeakPolarHBondContact CB-CD2 3.37Å; F65-H77 WeakPolarHBondContact CB-NE2 3.48Å; F65-H77 HydrophobicContact CD1-CB 4.47Å; F65-H77 AromaticContact CG-CD2 3.86Å; F65-H77 AromaticContact CG-NE2 3.87Å; S66-H77 CarbonylContact O-C 3.59Å; S66-H77 VanDerWaalsContact O-CA 3.22Å; S66-H77 WeakPolarHBondContact O-CA 3.31Å; H77-Q79 PolarHBondContact O-N 3.01Å; H77-C80 HydrophobicContact CB-CB 4.04Å; H77-C80 WeakPolarHBondContact O-CB 3.42Å; H77-C80 PolarHBondContact O-N 2.85Å; H77-L81 PolarHBondContact O-N 2.82Å
78T96.3Very high95.9Very high22 Ų2238.5 Ų38.514%0.13520%0.195CC..Hα-helixtrans-56.3-42.8-175.6-53.70000111S66 F76 C80 L81 D82 G123S66-T78 PolarHBondContact O-N 2.97Å; S66-T78 PolarHBondContact OG-OG1 3.07Å; F76-T78 PolarHBondContact O-N 2.81Å; T78-C80 PolarHBondContact O-N 2.87Å; T78-L81 PolarHBondContact O-N 3.29Å; T78-D82 WeakPolarHBondContact O-CB 3.48Å; T78-D82 PolarHBondContact O-N 3.4Å; T78-G123 WeakPolarHBondContact CG2-O 3.46Å
79Q95.7Very high95.7Very high97 Ų9742 Ų4245%0.45322%0.218SC..Hα-helixtrans-65.7-36177.4-61.8177.316.500113.1H77 D82 K83H77-Q79 PolarHBondContact O-N 3.01Å; Q79-D82 PolarHBondContact O-N 3.06Å; Q79-K83 WeakPolarHBondContact O-CG 3.37Å; Q79-K83 PolarHBondContact O-N 3.02Å
80C96.9Very high95.1Very high20 Ų2046.8 Ų46.814%0.13526%0.256CS..Hα-helixtrans-69.1-43.2177.9-67.30000110.7L55 H77 T78 D82 K83 W84L55-C80 HydrophobicContact CB-CB 3.8Å; L55-C80 VanDerWaalsContact CD1-C 3.47Å; L55-C80 HydrophobicContact CD1-CB 3.8Å; L55-C80 WeakPolarHBondContact CD1-O 3.23Å; L55-C80 HydrophobicContact CG-CB 4.45Å; H77-C80 HydrophobicContact CB-CB 4.04Å; H77-C80 WeakPolarHBondContact O-CB 3.42Å; H77-C80 PolarHBondContact O-N 2.85Å; T78-C80 PolarHBondContact O-N 2.87Å; C80-D82 VanDerWaalsContact C-N 3.29Å; C80-D82 PolarHBondContact O-N 2.8Å; C80-K83 PolarHBondContact O-N 3.25Å; C80-W84 WeakPolarHBondContact O-CB 3.31Å; C80-W84 PolarHBondContact O-N 3.34Å
81L96.3Very high94.7Very high2 Ų252.9 Ų52.91%0.0129%0.288CS..Hα-helixtrans-62.4-40175.3-171.966.7000111.3V68 L70 F76 H77 T78 W84 A85 I106 L124 W129V68-L81 HydrophobicContact CG1-CD2 3.69Å; L70-L81 HydrophobicContact CD2-CD2 3.99Å; F76-L81 HydrophobicContact CB-CB 4.17Å; F76-L81 HydrophobicContact CG-CD1 4.41Å; H77-L81 PolarHBondContact O-N 2.82Å; T78-L81 PolarHBondContact O-N 3.29Å; L81-W84 HydrophobicContact CD1-CE3 3.73Å; L81-W84 HydrophobicContact CD1-CZ3 4.07Å; L81-W84 PolarHBondContact O-N 3.01Å; L81-A85 WeakPolarHBondContact O-CB 3.42Å; L81-A85 PolarHBondContact O-N 3.28Å; L81-I106 HydrophobicContact CD1-CD1 4.12Å; L81-L124 HydrophobicContact CD2-CD2 3.98Å; L81-W129 HydrophobicContact CD2-CH2 4.33Å; L81-W129 HydrophobicContact CD2-CZ2 4.32Å; L81-W129 HydrophobicContact CG-CH2 4.4Å; L81-W129 HydrophobicContact CG-CZ2 4.16Å
82D95.5Very high94.5Very high38 Ų3852 Ų5220%0.20329%0.285CS..Hα-helixtrans-63-48.6177.3-165.653.5000112.3T78 Q79 C80 W84 A85 Q86 S127 W129T78-D82 WeakPolarHBondContact O-CB 3.48Å; T78-D82 PolarHBondContact O-N 3.4Å; Q79-D82 PolarHBondContact O-N 3.06Å; C80-D82 VanDerWaalsContact C-N 3.29Å; C80-D82 PolarHBondContact O-N 2.8Å; D82-W84 VanDerWaalsContact C-N 3.32Å; D82-W84 PolarHBondContact O-N 2.96Å; D82-A85 PolarHBondContact O-N 2.9Å; D82-Q86 VanDerWaalsContact O-CG 3.32Å; D82-Q86 WeakPolarHBondContact O-CG 3.32Å; D82-Q86 PolarHBondContact O-N 3.05Å; D82-Q86 PolarHBondContact OD2-NE2 2.76Å; D82-S127 WeakPolarHBondContact OD1-CB 3.22Å; D82-S127 PolarHBondContact OD1-OG 3.38Å; D82-W129 PolarHBondContact OD1-NE1 2.94Å
83K95.8Very high94.2Very high145 Ų14553.5 Ų53.563%0.6330%0.298SS*.Hα-helixtrans-58.7-42.2173.5-73.7176-178.4178.10112.4Q79 C80 Q86 S87Q79-K83 WeakPolarHBondContact O-CG 3.37Å; Q79-K83 PolarHBondContact O-N 3.02Å; C80-K83 PolarHBondContact O-N 3.25Å; K83-Q86 PolarHBondContact O-N 3.24Å; K83-S87 PolarHBondContact O-N 2.92Å
84W96.2Very high93.9Very high48 Ų4853.1 Ų53.118%0.18230%0.298CS..Hα-helixtrans-62-46.9176.5166.880.6000111L55 C80 L81 D82 Q86 S87 L88 Y97 K98 T100 I106L55-W84 HydrophobicContact CD1-CB 4.03Å; L55-W84 HydrophobicContact CD2-CB 4.36Å; L55-W84 HydrophobicContact CD2-CG 4.41Å; C80-W84 WeakPolarHBondContact O-CB 3.31Å; C80-W84 PolarHBondContact O-N 3.34Å; L81-W84 HydrophobicContact CD1-CE3 3.73Å; L81-W84 HydrophobicContact CD1-CZ3 4.07Å; L81-W84 PolarHBondContact O-N 3.01Å; D82-W84 VanDerWaalsContact C-N 3.32Å; D82-W84 PolarHBondContact O-N 2.96Å; W84-Q86 VanDerWaalsContact C-N 3.31Å; W84-Q86 PolarHBondContact O-N 3.44Å; W84-S87 WeakPolarHBondContact O-CB 3.44Å; W84-S87 PolarHBondContact O-N 2.74Å; W84-S87 VanDerWaalsContact O-N 3.07Å; W84-S87 PolarHBondContact O-OG 2.9Å; W84-L88 HydrophobicContact CH2-CD1 3.9Å; W84-L88 HydrophobicContact CZ2-CD1 3.98Å; W84-L88 HydrophobicContact CZ3-CD1 4.27Å; W84-Y97 HydrophobicContact CZ3-CD1 4.26Å; W84-K98 WeakPolarHBondContact CH2-O 3.37Å; W84-K98 VanDerWaalsContact CZ2-O 3.31Å; W84-K98 WeakPolarHBondContact CZ2-O 3.48Å; W84-T100 HydrophobicContact CD2-CG2 4.32Å; W84-T100 HydrophobicContact CG-CG2 4.49Å; W84-T100 HydrophobicContact CZ2-CG2 4.1Å; W84-I106 HydrophobicContact CH2-CD1 3.89Å; W84-I106 HydrophobicContact CZ3-CD1 3.54Å
85A95Very high93.5Very high3 Ų353.6 Ų53.63%0.02531%0.308CS..Hα-helixtrans-64.2-34.9179.900000112.9L81 D82 S87 L88 Y97 W129L81-A85 WeakPolarHBondContact O-CB 3.42Å; L81-A85 PolarHBondContact O-N 3.28Å; D82-A85 PolarHBondContact O-N 2.9Å; A85-S87 VanDerWaalsContact C-N 3.27Å; A85-S87 PolarHBondContact O-N 3.17Å; A85-L88 WeakPolarHBondContact O-CB 3.39Å; A85-L88 PolarHBondContact O-N 3.05Å; A85-Y97 HydrophobicContact CB-CD1 4.2Å; A85-Y97 HydrophobicContact CB-CE1 3.93Å; A85-W129 HydrophobicContact CB-CD2 3.34Å; A85-W129 HydrophobicContact CB-CE3 3.88Å; A85-W129 HydrophobicContact CB-CG 3.62Å; A85-W129 HydrophobicContact CB-CH2 4.31Å; A85-W129 HydrophobicContact CB-CZ2 3.81Å; A85-W129 HydrophobicContact CB-CZ3 4.33Å
86Q93.2Very high93.3Very high133 Ų13354.9 Ų54.962%0.62132%0.324SS*.Hα-helixtrans-69.5-22.3174.5-70.6173.625.900113.4D82 K83 W84 L88D82-Q86 VanDerWaalsContact O-CG 3.32Å; D82-Q86 WeakPolarHBondContact O-CG 3.32Å; D82-Q86 PolarHBondContact O-N 3.05Å; D82-Q86 PolarHBondContact OD2-NE2 2.76Å; K83-Q86 PolarHBondContact O-N 3.24Å; W84-Q86 VanDerWaalsContact C-N 3.31Å; W84-Q86 PolarHBondContact O-N 3.44Å; Q86-L88 VanDerWaalsContact C-N 3.28Å
87S94.2Very high93.2Very high91 Ų9155.9 Ų55.964%0.63633%0.327SS*.THydrogen-bonded Turntrans-78.6-12.5175.874.90000113.6K83 W84 A85K83-S87 PolarHBondContact O-N 2.92Å; W84-S87 WeakPolarHBondContact O-CB 3.44Å; W84-S87 PolarHBondContact O-N 2.74Å; W84-S87 VanDerWaalsContact O-N 3.07Å; W84-S87 PolarHBondContact O-OG 2.9Å; A85-S87 VanDerWaalsContact C-N 3.27Å; A85-S87 PolarHBondContact O-N 3.17Å
88L92.9Very high93.1Very high46 Ų4660 Ų6024%0.24135%0.345CS..SBendtrans-76155.5175.1-62.3175.8000111.2W84 A85 Q86 S90 T92 Y97W84-L88 HydrophobicContact CH2-CD1 3.9Å; W84-L88 HydrophobicContact CZ2-CD1 3.98Å; W84-L88 HydrophobicContact CZ3-CD1 4.27Å; A85-L88 WeakPolarHBondContact O-CB 3.39Å; A85-L88 PolarHBondContact O-N 3.05Å; Q86-L88 VanDerWaalsContact C-N 3.28Å; L88-S90 PolarHBondContact O-N 2.67Å; L88-T92 HydrophobicContact CD1-CG2 4.28Å; L88-Y97 HydrophobicContact CD1-CD1 3.76Å; L88-Y97 HydrophobicContact CD1-CE1 3.81Å
89P91.8Very high93.1Very high77 Ų7759 Ų5950%0.534%0.339SS..  trans-53141.2174.9-27.636.1000112.5N91 T92P89-N91 WeakPolarHBondContact CB-OD1 3.41Å; P89-N91 PolarHBondContact O-N 2.84Å; P89-T92 VanDerWaalsContact O-CB 3.25Å; P89-T92 WeakPolarHBondContact O-CB 3.37Å; P89-T92 PolarHBondContact O-N 2.89Å; P89-T92 PolarHBondContact O-OG1 3.21Å
90S85.3Confident93.1Very high127 Ų12756.7 Ų56.789%0.88833%0.332SS*.THydrogen-bonded Turntrans-62.6-17.7-17956.80000114.1L88L88-S90 PolarHBondContact O-N 2.67Å
91N88.1Confident93Very high129 Ų12960.2 Ų60.269%0.6935%0.349SS*.THydrogen-bonded Turntrans-92.711.4174.768.7-22000113.7P89 A93P89-N91 WeakPolarHBondContact CB-OD1 3.41Å; P89-N91 PolarHBondContact O-N 2.84Å; N91-A93 PolarHBondContact O-N 3.01Å; N91-A93 VanDerWaalsContact O-N 3.14Å
92T91Very high93Very high20 Ų2062.6 Ų62.612%0.12337%0.365CS..  trans-58.8119.3179.9-61.90000110.3L88 P89 Y97L88-T92 HydrophobicContact CD1-CG2 4.28Å; P89-T92 VanDerWaalsContact O-CB 3.25Å; P89-T92 WeakPolarHBondContact O-CB 3.37Å; P89-T92 PolarHBondContact O-N 2.89Å; P89-T92 PolarHBondContact O-OG1 3.21Å; T92-Y97 HydrophobicContact CG2-CD2 3.85Å; T92-Y97 HydrophobicContact CG2-CE1 4.42Å; T92-Y97 HydrophobicContact CG2-CE2 3.6Å; T92-Y97 HydrophobicContact CG2-CG 4.42Å
93A90.5Very high93Very high53 Ų5366.3 Ų66.344%0.43838%0.381SS..  trans-67.2155.2173.900000110.2N91 A95 G96 Y97N91-A93 PolarHBondContact O-N 3.01Å; N91-A93 VanDerWaalsContact O-N 3.14Å; A93-A95 PolarHBondContact O-N 3.22Å; A93-A95 VanDerWaalsContact O-N 3.08Å; A93-G96 WeakPolarHBondContact O-CA 3.48Å; A93-G96 PolarHBondContact O-N 3.47Å; A93-Y97 WeakPolarHBondContact O-CD2 3.4Å
94P88.6Confident92.9Very high17 Ų1762.6 Ų62.611%0.1137%0.371CS..G310 helixtrans-51.3-37.4177.6-2834.9000113.8G96 Y97 F107 R136 M137P94-G96 PolarHBondContact O-N 2.89Å; P94-Y97 PolarHBondContact O-N 2.9Å; P94-F107 HydrophobicContact CB-CD2 3.81Å; P94-F107 HydrophobicContact CB-CE2 4.17Å; P94-F107 WeakPolarHBondContact O-CD2 3.43Å; P94-R136 HydrophobicContact CG-CB 3.51Å; P94-R136 HydrophobicContact CG-CG 4.46Å; P94-M137 HydrophobicContact CB-CG 3.64Å; P94-M137 HydrophobicContact CB-SD 3.62Å; P94-M137 HydrophobicContact CG-CG 4.24Å; P94-M137 HydrophobicContact CG-SD 4.38Å
95A89.8Confident92.9Very high48 Ų4863.6 Ų63.640%0.39738%0.378SS..G310 helixtrans-66.9-15.9176.800000114.7A93 K98 M105A93-A95 PolarHBondContact O-N 3.22Å; A93-A95 VanDerWaalsContact O-N 3.08Å; A95-K98 WeakPolarHBondContact O-CE 3.39Å; A95-M105 HydrophobicContact CB-CE 3.67Å
96G92.3Very high92.9Very high36 Ų3663.5 Ų63.537%0.37138%0.377SS..G310 helixtrans-79.1-22.4175.600000113.5A93 P94 K98A93-G96 WeakPolarHBondContact O-CA 3.48Å; A93-G96 PolarHBondContact O-N 3.47Å; P94-G96 PolarHBondContact O-N 2.89Å; G96-K98 PolarHBondContact O-N 3.46Å
97Y94.4Very high93Very high21 Ų2157.4 Ų57.48%0.08235%0.349CS..  trans-77.695.8175.1-65-87000109.4W84 A85 L88 T92 A93 P94 I106 F107 W129W84-Y97 HydrophobicContact CZ3-CD1 4.26Å; A85-Y97 HydrophobicContact CB-CD1 4.2Å; A85-Y97 HydrophobicContact CB-CE1 3.93Å; L88-Y97 HydrophobicContact CD1-CD1 3.76Å; L88-Y97 HydrophobicContact CD1-CE1 3.81Å; T92-Y97 HydrophobicContact CG2-CD2 3.85Å; T92-Y97 HydrophobicContact CG2-CE1 4.42Å; T92-Y97 HydrophobicContact CG2-CE2 3.6Å; T92-Y97 HydrophobicContact CG2-CG 4.42Å; A93-Y97 WeakPolarHBondContact O-CD2 3.4Å; P94-Y97 PolarHBondContact O-N 2.9Å; Y97-I106 WeakPolarHBondContact O-CB 3.43Å; Y97-I106 WeakPolarHBondContact O-CG1 3.36Å; Y97-I106 PolarHBondContact O-N 2.84Å; Y97-F107 HydrophobicContact CD2-CD2 4.46Å; Y97-F107 AromaticContact CD2-CE2 3.52Å; Y97-F107 HydrophobicContact CD2-CE2 3.52Å; Y97-F107 HydrophobicContact CD2-CZ 4.27Å; Y97-F107 HydrophobicContact CE2-CE2 4.27Å; Y97-F107 AromaticContact CG-CE2 3.76Å; Y97-F107 HydrophobicContact CG-CE2 3.76Å; Y97-F107 HydrophobicContact CG-CZ 4.33Å; Y97-W129 HydrophobicContact CD1-CD2 4.42Å; Y97-W129 AromaticContact CD1-CE3 3.51Å; Y97-W129 HydrophobicContact CD1-CE3 3.51Å; Y97-W129 AromaticContact CD1-CZ3 3.69Å; Y97-W129 HydrophobicContact CD1-CZ3 3.69Å; Y97-W129 HydrophobicContact CE1-CB 4.4Å; Y97-W129 HydrophobicContact CE1-CD2 4.13Å; Y97-W129 AromaticContact CE1-CE3 3.53Å; Y97-W129 HydrophobicContact CE1-CE3 3.53Å; Y97-W129 HydrophobicContact CE1-CG 4.49Å; Y97-W129 HydrophobicContact CE1-CZ3 4.2Å; Y97-W129 HydrophobicContact CG-CE3 4.12Å; Y97-W129 HydrophobicContact CG-CZ3 4.1Å
98K95.8Very high92.9Very high88 Ų8853.4 Ų53.438%0.38332%0.321SS..BIsolated β-bridgetrans-118.1145.3-175.8-66.6176.6177.6-176.50111.3W84 A95 G96 T100 Q103 T104W84-K98 WeakPolarHBondContact CH2-O 3.37Å; W84-K98 VanDerWaalsContact CZ2-O 3.31Å; W84-K98 WeakPolarHBondContact CZ2-O 3.48Å; A95-K98 WeakPolarHBondContact O-CE 3.39Å; G96-K98 PolarHBondContact O-N 3.46Å; K98-T100 PolarHBondContact O-N 3.35Å; K98-Q103 WeakPolarHBondContact CD-O 3.45Å; K98-Q103 WeakPolarHBondContact CG-O 3.47Å; K98-T104 CarbonylContact C-O 3.52Å; K98-T104 WeakPolarHBondContact CA-O 3.45Å
99C96.8Very high92.8Very high1 Ų158.6 Ų58.61%0.00734%0.341CS..  trans-56.7128.8171.9176.60000110.2L70 H74 L101 C102 Q103 T104L70-C99 HydrophobicContact CD1-CB 3.78Å; H74-C99 PolarHBondContact ND1-SG 3.45Å; C99-L101 PolarHBondContact O-N 3.44Å; C99-C102 VanDerWaalsContact SG-SG 3.66Å; C99-Q103 WeakPolarHBondContact O-CA 3.33Å; C99-Q103 PolarHBondContact O-N 2.96Å; C99-T104 PolarHBondContact N-O 3.4Å
100T95.4Very high92.6Very high48 Ų4857.7 Ų57.729%0.29434%0.335SS..THydrogen-bonded Turntrans-65-22.5-178.457.10000113.5L55 F76 W84 K98 Q103L55-T100 HydrophobicContact CD2-CG2 4.18Å; F76-T100 WeakPolarHBondContact CE1-OG1 3.46Å; W84-T100 HydrophobicContact CD2-CG2 4.32Å; W84-T100 HydrophobicContact CG-CG2 4.49Å; W84-T100 HydrophobicContact CZ2-CG2 4.1Å; K98-T100 PolarHBondContact O-N 3.35Å; T100-Q103 PolarHBondContact O-NE2 3.38Å
101L94.8Very high92.7Very high94 Ų9457.8 Ų57.849%0.49233%0.326SS..THydrogen-bonded Turntrans-85.6-44.8179.8-66.3178000114P54 H74 F76 C99P54-L101 HydrophobicContact CB-CD1 4.37Å; P54-L101 HydrophobicContact CB-CD2 4Å; P54-L101 HydrophobicContact CB-CG 4.22Å; P54-L101 HydrophobicContact CG-CD1 3.62Å; P54-L101 HydrophobicContact CG-CD2 4.13Å; P54-L101 HydrophobicContact CG-CG 4.01Å; H74-L101 HydrophobicContact CB-CD1 4.15Å; F76-L101 HydrophobicContact CZ-CD1 4.42Å; F76-L101 HydrophobicContact CZ-CG 4.37Å; C99-L101 PolarHBondContact O-N 3.44Å
102C95Very high92.9Very high51 Ų5155.2 Ų55.235%0.34531%0.309SS..THydrogen-bonded Turntrans-122.71.4-171.6660000114.4C99 T104C99-C102 VanDerWaalsContact SG-SG 3.66Å; C102-T104 PolarHBondContact O-N 3.21Å; C102-T104 PolarHBondContact SG-OG1 2.95Å; C102-T104 VanDerWaalsContact SG-OG1 3.37Å
103Q95.6Very high92.9Very high117 Ų11760.3 Ų60.355%0.54734%0.34SS..  trans59.212.7179.6-57.2-61.6-38.700115K98 C99 T100K98-Q103 WeakPolarHBondContact CD-O 3.45Å; K98-Q103 WeakPolarHBondContact CG-O 3.47Å; C99-Q103 WeakPolarHBondContact O-CA 3.33Å; C99-Q103 PolarHBondContact O-N 2.96Å; T100-Q103 PolarHBondContact O-NE2 3.38Å
104T95.2Very high93.1Very high67 Ų6758.5 Ų58.541%0.41133%0.327SS..  trans-71.5139.5173.8-60.30000109.7C72 K98 C99 C102 I106C72-T104 HydrophobicContact CB-CG2 4.17Å; K98-T104 CarbonylContact C-O 3.52Å; K98-T104 WeakPolarHBondContact CA-O 3.45Å; C99-T104 PolarHBondContact N-O 3.4Å; C102-T104 PolarHBondContact O-N 3.21Å; C102-T104 PolarHBondContact SG-OG1 2.95Å; C102-T104 VanDerWaalsContact SG-OG1 3.37Å; T104-I106 PolarHBondContact O-N 3.39Å
105M94.4Very high93.4Very high69 Ų6958.8 Ų58.834%0.3433%0.329SS..BIsolated β-bridgetrans-56.5134.1177.1-169.7-177.9-5400110.9A95 M137A95-M105 HydrophobicContact CB-CE 3.67Å; M105-M137 HydrophobicContact SD-CE 3.86Å; M105-M137 HydrophobicContact SD-SD 4.36Å
106I95.8Very high93.6Very high1 Ų157.3 Ų57.31%0.00531%0.314CS..SBendtrans-71.2-43.7179.5-69.9174.5000110.4L70 L81 W84 Y97 T104 L120 L124 W129L70-I106 HydrophobicContact CD1-CG1 4.06Å; L70-I106 HydrophobicContact CD2-CG1 4.45Å; L70-I106 HydrophobicContact CD2-CG2 4.1Å; L81-I106 HydrophobicContact CD1-CD1 4.12Å; W84-I106 HydrophobicContact CH2-CD1 3.89Å; W84-I106 HydrophobicContact CZ3-CD1 3.54Å; Y97-I106 WeakPolarHBondContact O-CB 3.43Å; Y97-I106 WeakPolarHBondContact O-CG1 3.36Å; Y97-I106 PolarHBondContact O-N 2.84Å; T104-I106 PolarHBondContact O-N 3.39Å; I106-L120 WeakPolarHBondContact O-CD2 3.49Å; I106-L124 HydrophobicContact CG2-CD1 4.19Å; I106-W129 HydrophobicContact CG2-CH2 4.35Å
107F94.5Very high93.8Very high5 Ų555.8 Ų55.82%0.02230%0.298CS..SBendtrans-74.8140.4-174.8-62.4-61.7000112.8P94 Y97 W129 A130 L134 M137P94-F107 HydrophobicContact CB-CD2 3.81Å; P94-F107 HydrophobicContact CB-CE2 4.17Å; P94-F107 WeakPolarHBondContact O-CD2 3.43Å; Y97-F107 HydrophobicContact CD2-CD2 4.46Å; Y97-F107 AromaticContact CD2-CE2 3.52Å; Y97-F107 HydrophobicContact CD2-CE2 3.52Å; Y97-F107 HydrophobicContact CD2-CZ 4.27Å; Y97-F107 HydrophobicContact CE2-CE2 4.27Å; Y97-F107 AromaticContact CG-CE2 3.76Å; Y97-F107 HydrophobicContact CG-CE2 3.76Å; Y97-F107 HydrophobicContact CG-CZ 4.33Å; F107-W129 HydrophobicContact CE1-CE3 4.5Å; F107-W129 HydrophobicContact CE1-CZ3 4.04Å; F107-W129 HydrophobicContact CE2-CZ3 4.32Å; F107-W129 AromaticContact CZ-CE3 3.75Å; F107-W129 HydrophobicContact CZ-CE3 3.75Å; F107-W129 AromaticContact CZ-CZ3 3.52Å; F107-W129 HydrophobicContact CZ-CZ3 3.52Å; F107-A130 HydrophobicContact CE1-CB 4.17Å; F107-A130 WeakPolarHBondContact CE1-O 3.17Å; F107-L134 HydrophobicContact CD1-CD2 3.73Å; F107-L134 HydrophobicContact CD1-CG 3.82Å; F107-L134 HydrophobicContact CE1-CD2 4.4Å; F107-L134 HydrophobicContact CE1-CG 3.99Å; F107-M137 HydrophobicContact CB-CG 3.97Å; F107-M137 HydrophobicContact CG-CG 4.43Å
108P93.4Very high93.8Very high7 Ų758.2 Ų58.25%0.04531%0.312CS..PPolyproline II helixtrans-63.3153.117227.9-34.6000111.3L71 Q112 V117 L134 M137L71-P108 VanDerWaalsContact CD1-CA 3.49Å; L71-P108 HydrophobicContact CD1-CB 3.85Å; P108-Q112 HydrophobicContact CB-CB 4.24Å; P108-V117 HydrophobicContact CB-CG1 3.67Å; P108-V117 HydrophobicContact CB-CG2 4.34Å; P108-V117 HydrophobicContact CG-CG1 3.85Å; P108-L134 HydrophobicContact CG-CD2 3.95Å; P108-M137 VanDerWaalsContact O-CE 3.32Å; P108-M137 WeakPolarHBondContact O-CE 3.34Å
109K90.9Very high93.8Very high155 Ų15555.6 Ų55.667%0.67431%0.307SS*.PPolyproline II helixtrans-63151165.3-62.6178-178.3178.80108.9N111 Q112K109-N111 VanDerWaalsContact C-N 3.27Å; K109-N111 PolarHBondContact O-N 3.48Å; K109-N111 VanDerWaalsContact O-N 3.17Å; K109-Q112 HydrophobicContact CB-CB 4.11Å; K109-Q112 VanDerWaalsContact N-OE1 3.17Å; K109-Q112 WeakPolarHBondContact O-CB 3.47Å; K109-Q112 PolarHBondContact O-N 3.44Å
110P86.2Confident93.7Very high58 Ų5855.7 Ų55.738%0.37731%0.307SS..THydrogen-bonded Turntrans-58.3-35.8-172.119.1-32.6000114.9S141P110-S141 WeakPolarHBondContact CB-OG 3.48Å; P110-S141 WeakPolarHBondContact CG-OG 3.36Å
111N88Confident93.7Very high129 Ų12956.7 Ų56.769%0.6931%0.308SS*.THydrogen-bonded Turntrans-97.112179.2-61.3-20.1000112.8K109 V113K109-N111 VanDerWaalsContact C-N 3.27Å; K109-N111 PolarHBondContact O-N 3.48Å; K109-N111 VanDerWaalsContact O-N 3.17Å; N111-V113 PolarHBondContact O-N 3.05Å
112Q91.7Very high93.6Very high74 Ų7458 Ų5835%0.34632%0.315SS..  trans-82117.8179-162.4179.7-14.600109.4P108 K109 V117P108-Q112 HydrophobicContact CB-CB 4.24Å; K109-Q112 HydrophobicContact CB-CB 4.11Å; K109-Q112 VanDerWaalsContact N-OE1 3.17Å; K109-Q112 WeakPolarHBondContact O-CB 3.47Å; K109-Q112 PolarHBondContact O-N 3.44Å; Q112-V117 HydrophobicContact CB-CG2 4.45Å; Q112-V117 HydrophobicContact CG-CG2 3.86Å
113V92Very high93.6Very high127 Ų12756.8 Ų56.877%0.7731%0.311SS*.  trans-120.6140.9177.4-170.30000108N111N111-V113 PolarHBondContact O-N 3.05Å
114G94Very high93.5Very high16 Ų1651.3 Ų51.317%0.16529%0.286CS..SBendtrans165.7157.1178.100000110.6I116 V117 D118G114-I116 PolarHBondContact O-N 3.07Å; G114-V117 WeakPolarHBondContact O-CA 3.33Å; G114-V117 VanDerWaalsContact O-CB 3.31Å; G114-V117 WeakPolarHBondContact O-CB 3.39Å; G114-V117 PolarHBondContact O-N 3.21Å; G114-D118 PolarHBondContact O-N 3.2Å
115P94.7Very high93.3Very high22 Ų2250.2 Ų50.214%0.14328%0.284CS..Hα-helixtrans-62.2-33.6-172.628.3-37.4000112E25 Y26 I29 V117 D118 A119E25-P115 HydrophobicContact CB-CG 3.55Å; Y26-P115 HydrophobicContact CD1-CB 4.32Å; Y26-P115 HydrophobicContact CD1-CG 4.48Å; Y26-P115 HydrophobicContact CD2-CG 4.44Å; Y26-P115 HydrophobicContact CE1-CB 4.24Å; Y26-P115 HydrophobicContact CE1-CG 4.31Å; Y26-P115 HydrophobicContact CE2-CG 4.18Å; I29-P115 HydrophobicContact CD1-CB 3.65Å; I29-P115 HydrophobicContact CD1-CG 4.42Å; I29-P115 WeakPolarHBondContact CD1-O 3.42Å; P115-V117 VanDerWaalsContact C-N 3.32Å; P115-V117 PolarHBondContact O-N 2.64Å; P115-D118 PolarHBondContact O-N 3.49Å; P115-A119 WeakPolarHBondContact O-CB 3.42Å; P115-A119 PolarHBondContact O-N 3.27Å
116I95.2Very high93.1Very high18 Ų1854.4 Ų54.49%0.09231%0.307CS..Hα-helixtrans-67.8-34.5175.8-57.8174.7000111M14 E25 I28 I29 L71 L73 G114 L120M14-I116 HydrophobicContact SD-CD1 4.22Å; E25-I116 HydrophobicContact CB-CD1 4.08Å; E25-I116 HydrophobicContact CB-CG1 4.14Å; E25-I116 HydrophobicContact CG-CD1 4.01Å; I28-I116 HydrophobicContact CG2-CD1 4.01Å; I28-I116 HydrophobicContact CG2-CG1 3.92Å; I29-I116 HydrophobicContact CD1-CG1 4.37Å; L71-I116 HydrophobicContact CD2-CG2 4.09Å; L73-I116 HydrophobicContact CD2-CD1 4.16Å; G114-I116 PolarHBondContact O-N 3.07Å; I116-L120 VanDerWaalsContact O-CB 3.3Å; I116-L120 WeakPolarHBondContact O-CB 3.35Å; I116-L120 PolarHBondContact O-N 3.02Å
117V95.6Very high92.9Very high4 Ų454.6 Ų54.62%0.02431%0.309CS..Hα-helixtrans-66.7-44.6176.6177.30000110.4L71 P108 Q112 G114 P115 L120 K121L71-V117 HydrophobicContact CD2-CB 4.47Å; L71-V117 HydrophobicContact CD2-CG2 3.82Å; P108-V117 HydrophobicContact CB-CG1 3.67Å; P108-V117 HydrophobicContact CB-CG2 4.34Å; P108-V117 HydrophobicContact CG-CG1 3.85Å; Q112-V117 HydrophobicContact CB-CG2 4.45Å; Q112-V117 HydrophobicContact CG-CG2 3.86Å; G114-V117 WeakPolarHBondContact O-CA 3.33Å; G114-V117 VanDerWaalsContact O-CB 3.31Å; G114-V117 WeakPolarHBondContact O-CB 3.39Å; G114-V117 PolarHBondContact O-N 3.21Å; P115-V117 VanDerWaalsContact C-N 3.32Å; P115-V117 PolarHBondContact O-N 2.64Å; V117-L120 PolarHBondContact O-N 3.49Å; V117-K121 HydrophobicContact CG1-CD 4.27Å; V117-K121 WeakPolarHBondContact O-CG 3.26Å; V117-K121 PolarHBondContact O-N 3.19Å
118D95Very high92.8Very high71 Ų7162 Ų6238%0.3834%0.343SS..Hα-helixtrans-65.5-46.9179.7-59.2-29.3000110.3G114 P115 L120 K121 D122G114-D118 PolarHBondContact O-N 3.2Å; P115-D118 PolarHBondContact O-N 3.49Å; D118-L120 VanDerWaalsContact C-N 3.28Å; D118-L120 PolarHBondContact O-N 2.97Å; D118-K121 WeakPolarHBondContact O-CB 3.3Å; D118-K121 PolarHBondContact O-N 3.49Å; D118-K121 VanDerWaalsContact O-N 3.11Å; D118-D122 VanDerWaalsContact O-CG 3.32Å; D118-D122 PolarHBondContact O-N 3.12Å
119A95.3Very high92.7Very high33 Ų3362.7 Ų62.727%0.27335%0.345SS..Hα-helixtrans-60.1-35.5175.100000113.3I29 P115 G123I29-A119 HydrophobicContact CD1-CB 3.88Å; I29-A119 HydrophobicContact CG1-CB 3.93Å; I29-A119 HydrophobicContact CG2-CB 3.93Å; P115-A119 WeakPolarHBondContact O-CB 3.42Å; P115-A119 PolarHBondContact O-N 3.27Å; A119-G123 PolarHBondContact O-N 3.23Å
120L95.6Very high92.8Very high3 Ų355.3 Ų55.32%0.01631%0.313CS..Hα-helixtrans-66.7-45.5174.3174.864.6000111.5V68 L70 L71 I106 I116 V117 D118 D122 G123 L124V68-L120 HydrophobicContact CG2-CD1 3.79Å; L70-L120 HydrophobicContact CD2-CD1 4Å; L71-L120 HydrophobicContact CD1-CD2 4.29Å; L71-L120 HydrophobicContact CD2-CD2 3.8Å; L71-L120 HydrophobicContact CG-CD2 3.66Å; I106-L120 WeakPolarHBondContact O-CD2 3.49Å; I116-L120 VanDerWaalsContact O-CB 3.3Å; I116-L120 WeakPolarHBondContact O-CB 3.35Å; I116-L120 PolarHBondContact O-N 3.02Å; V117-L120 PolarHBondContact O-N 3.49Å; D118-L120 VanDerWaalsContact C-N 3.28Å; D118-L120 PolarHBondContact O-N 2.97Å; L120-D122 VanDerWaalsContact C-N 3.31Å; L120-D122 PolarHBondContact O-N 2.75Å; L120-G123 PolarHBondContact O-N 3.15Å; L120-L124 HydrophobicContact CD1-CD1 3.63Å; L120-L124 HydrophobicContact CD1-CG 3.98Å; L120-L124 HydrophobicContact CG-CD1 4.07Å; L120-L124 WeakPolarHBondContact O-CB 3.43Å; L120-L124 WeakPolarHBondContact O-CG 3.16Å; L120-L124 PolarHBondContact O-N 3.48Å
121K94.1Very high93Very high70 Ų7057.3 Ų57.330%0.30432%0.317SS..Hα-helixtrans-60.3-44.1177.3-72.3170.5-178.9169.30110.7V117 D118 L124 A125 L134V117-K121 HydrophobicContact CG1-CD 4.27Å; V117-K121 WeakPolarHBondContact O-CG 3.26Å; V117-K121 PolarHBondContact O-N 3.19Å; D118-K121 WeakPolarHBondContact O-CB 3.3Å; D118-K121 PolarHBondContact O-N 3.49Å; D118-K121 VanDerWaalsContact O-N 3.11Å; K121-L124 CarbonylContact O-C 3.59Å; K121-L124 PolarHBondContact O-N 3.16Å; K121-A125 PolarHBondContact O-N 3.43Å; K121-L134 HydrophobicContact CG-CD1 4.23Å; K121-L134 HydrophobicContact CG-CD2 4.35Å
122D93.9Very high93.1Very high120 Ų12054.8 Ų54.864%0.64231%0.306SS*.Hα-helixtrans-64.1-44.6177.4-67.1-15.9000111.6D118 L120 L124 A125D118-D122 VanDerWaalsContact O-CG 3.32Å; D118-D122 PolarHBondContact O-N 3.12Å; L120-D122 VanDerWaalsContact C-N 3.31Å; L120-D122 PolarHBondContact O-N 2.75Å; D122-L124 PolarHBondContact O-N 2.98Å; D122-A125 VanDerWaalsContact O-CB 3.32Å; D122-A125 WeakPolarHBondContact O-CB 3.22Å; D122-A125 PolarHBondContact O-N 3.25Å
123G93.6Very high93Very high26 Ų2651.4 Ų51.427%0.26829%0.291SS..Hα-helixtrans-64.8-25.5178.100000114T78 A119 L120T78-G123 WeakPolarHBondContact CG2-O 3.46Å; A119-G123 PolarHBondContact O-N 3.23Å; L120-G123 PolarHBondContact O-N 3.15Å
124L94.1Very high92.8Very high2 Ų246.8 Ų46.81%0.0126%0.262CS..THydrogen-bonded Turntrans-101.31.8177.5-65.1-178.4000113.7V68 L81 I106 L120 K121 D122 N126 S127 W129 A130V68-L124 HydrophobicContact CG2-CD2 4.25Å; V68-L124 HydrophobicContact CG2-CG 4.33Å; L81-L124 HydrophobicContact CD2-CD2 3.98Å; I106-L124 HydrophobicContact CG2-CD1 4.19Å; L120-L124 HydrophobicContact CD1-CD1 3.63Å; L120-L124 HydrophobicContact CD1-CG 3.98Å; L120-L124 HydrophobicContact CG-CD1 4.07Å; L120-L124 WeakPolarHBondContact O-CB 3.43Å; L120-L124 WeakPolarHBondContact O-CG 3.16Å; L120-L124 PolarHBondContact O-N 3.48Å; K121-L124 CarbonylContact O-C 3.59Å; K121-L124 PolarHBondContact O-N 3.16Å; D122-L124 PolarHBondContact O-N 2.98Å; L124-N126 PolarHBondContact O-N 2.84Å; L124-N126 VanDerWaalsContact O-N 3.07Å; L124-S127 PolarHBondContact O-N 2.87Å; L124-W129 HydrophobicContact CD1-CH2 4.23Å; L124-W129 HydrophobicContact CD2-CH2 4.19Å; L124-W129 HydrophobicContact CD2-CZ2 3.99Å; L124-A130 HydrophobicContact CB-CB 3.71Å; L124-A130 HydrophobicContact CD1-CB 4.08Å; L124-A130 HydrophobicContact CG-CB 4.34Å
125A91.4Very high92.5Very high45 Ų4550.4 Ų50.437%0.37228%0.278SS..THydrogen-bonded Turntrans-59.4-27.2-173.600000113.1K121 D122 Q131K121-A125 PolarHBondContact O-N 3.43Å; D122-A125 VanDerWaalsContact O-CB 3.32Å; D122-A125 WeakPolarHBondContact O-CB 3.22Å; D122-A125 PolarHBondContact O-N 3.25Å; A125-Q131 PolarHBondContact O-NE2 2.98Å
126N90.3Very high92.1Very high156 Ų15654.8 Ų54.883%0.83429%0.291SS*.THydrogen-bonded Turntrans-87.5-5.9-180-62.9-35.7000114.2L124L124-N126 PolarHBondContact O-N 2.84Å; L124-N126 VanDerWaalsContact O-N 3.07Å
127S92.1Very high91.7Very high5 Ų555.3 Ų55.34%0.03529%0.294CS..  trans-96.5115.9-176.8-80.30000111.3D82 L124 W129 A130 Q131D82-S127 WeakPolarHBondContact OD1-CB 3.22Å; D82-S127 PolarHBondContact OD1-OG 3.38Å; L124-S127 PolarHBondContact O-N 2.87Å; S127-W129 PolarHBondContact O-N 3.47Å; S127-W129 PolarHBondContact OG-NE1 3.08Å; S127-A130 WeakPolarHBondContact O-CB 3.49Å; S127-A130 PolarHBondContact O-N 2.87Å; S127-Q131 PolarHBondContact O-N 3.29Å
128E91.2Very high91Very high160 Ų16060.3 Ų60.375%0.74832%0.317SS*.Hα-helixtrans-58.4-44.2-178.1-65.2-174.3169.400112.8A130 Q131 V132E128-A130 PolarHBondContact O-N 2.83Å; E128-Q131 PolarHBondContact O-N 3.02Å; E128-V132 WeakPolarHBondContact O-CG2 3.14Å; E128-V132 PolarHBondContact O-N 3Å
129W92.8Very high90.2Very high23 Ų2363.6 Ų63.69%0.08733%0.328CS..Hα-helixtrans-59.5-34.7176.966.8-91.5000112L81 D82 A85 Y97 I106 F107 L124 S127 G133L81-W129 HydrophobicContact CD2-CH2 4.33Å; L81-W129 HydrophobicContact CD2-CZ2 4.32Å; L81-W129 HydrophobicContact CG-CH2 4.4Å; L81-W129 HydrophobicContact CG-CZ2 4.16Å; D82-W129 PolarHBondContact OD1-NE1 2.94Å; A85-W129 HydrophobicContact CB-CD2 3.34Å; A85-W129 HydrophobicContact CB-CE3 3.88Å; A85-W129 HydrophobicContact CB-CG 3.62Å; A85-W129 HydrophobicContact CB-CH2 4.31Å; A85-W129 HydrophobicContact CB-CZ2 3.81Å; A85-W129 HydrophobicContact CB-CZ3 4.33Å; Y97-W129 HydrophobicContact CD1-CD2 4.42Å; Y97-W129 AromaticContact CD1-CE3 3.51Å; Y97-W129 HydrophobicContact CD1-CE3 3.51Å; Y97-W129 AromaticContact CD1-CZ3 3.69Å; Y97-W129 HydrophobicContact CD1-CZ3 3.69Å; Y97-W129 HydrophobicContact CE1-CB 4.4Å; Y97-W129 HydrophobicContact CE1-CD2 4.13Å; Y97-W129 AromaticContact CE1-CE3 3.53Å; Y97-W129 HydrophobicContact CE1-CE3 3.53Å; Y97-W129 HydrophobicContact CE1-CG 4.49Å; Y97-W129 HydrophobicContact CE1-CZ3 4.2Å; Y97-W129 HydrophobicContact CG-CE3 4.12Å; Y97-W129 HydrophobicContact CG-CZ3 4.1Å; I106-W129 HydrophobicContact CG2-CH2 4.35Å; F107-W129 HydrophobicContact CE1-CE3 4.5Å; F107-W129 HydrophobicContact CE1-CZ3 4.04Å; F107-W129 HydrophobicContact CE2-CZ3 4.32Å; F107-W129 AromaticContact CZ-CE3 3.75Å; F107-W129 HydrophobicContact CZ-CE3 3.75Å; F107-W129 AromaticContact CZ-CZ3 3.52Å; F107-W129 HydrophobicContact CZ-CZ3 3.52Å; L124-W129 HydrophobicContact CD1-CH2 4.23Å; L124-W129 HydrophobicContact CD2-CH2 4.19Å; L124-W129 HydrophobicContact CD2-CZ2 3.99Å; S127-W129 PolarHBondContact O-N 3.47Å; S127-W129 PolarHBondContact OG-NE1 3.08Å; W129-G133 PolarHBondContact O-N 3.37Å
130A92.2Very high89.2Confident0 Ų065.5 Ų65.50%034%0.336CS..Hα-helixtrans-74.6-41.5-178.900000111.2F107 L124 S127 E128 G133 L134F107-A130 HydrophobicContact CE1-CB 4.17Å; F107-A130 WeakPolarHBondContact CE1-O 3.17Å; L124-A130 HydrophobicContact CB-CB 3.71Å; L124-A130 HydrophobicContact CD1-CB 4.08Å; L124-A130 HydrophobicContact CG-CB 4.34Å; S127-A130 WeakPolarHBondContact O-CB 3.49Å; S127-A130 PolarHBondContact O-N 2.87Å; E128-A130 PolarHBondContact O-N 2.83Å; A130-G133 PolarHBondContact O-N 2.73Å; A130-L134 WeakPolarHBondContact O-CB 3.34Å; A130-L134 VanDerWaalsContact O-CG 3.25Å; A130-L134 WeakPolarHBondContact O-CG 3.37Å; A130-L134 PolarHBondContact O-N 3.45Å
131Q91Very high87.8Confident100 Ų10066.1 Ų66.147%0.46734%0.341SS..Hα-helixtrans-60.1-47.1173.2-65.8-175.72.300111.3A125 S127 E128 G133 L134 N135A125-Q131 PolarHBondContact O-NE2 2.98Å; S127-Q131 PolarHBondContact O-N 3.29Å; E128-Q131 PolarHBondContact O-N 3.02Å; Q131-G133 VanDerWaalsContact C-N 3.32Å; Q131-G133 PolarHBondContact O-N 2.95Å; Q131-L134 PolarHBondContact O-N 3Å; Q131-N135 WeakPolarHBondContact O-CB 3.47Å; Q131-N135 PolarHBondContact O-N 3.24Å; Q131-N135 PolarHBondContact O-ND2 3.14Å; Q131-N135 VanDerWaalsContact O-ND2 3.14Å
132V90.1Very high86.5Confident75 Ų7565.7 Ų65.746%0.45535%0.346SS..Hα-helixtrans-60.9-43.5176.51750000110.8E128 R136E128-V132 WeakPolarHBondContact O-CG2 3.14Å; E128-V132 PolarHBondContact O-N 3Å; V132-R136 WeakPolarHBondContact O-CB 3.31Å; V132-R136 WeakPolarHBondContact O-CG 3.23Å; V132-R136 PolarHBondContact O-N 3.46Å
133G89.4Confident85.2Confident3 Ų365 Ų653%0.03134%0.339CS..Hα-helixtrans-63.5-46.9178.200000113.5W129 A130 Q131 R136 M137W129-G133 PolarHBondContact O-N 3.37Å; A130-G133 PolarHBondContact O-N 2.73Å; Q131-G133 VanDerWaalsContact C-N 3.32Å; Q131-G133 PolarHBondContact O-N 2.95Å; G133-R136 PolarHBondContact O-N 3.13Å; G133-M137 WeakPolarHBondContact O-CG 3.2Å; G133-M137 PolarHBondContact O-N 3.43Å
134L88.2Confident83.8Confident31 Ų3168.5 Ų68.516%0.16235%0.352CS..Hα-helixtrans-62.1-44.3177.3-73.5169.4000111.8F107 P108 K121 A130 Q131 R136 M137 Q138F107-L134 HydrophobicContact CD1-CD2 3.73Å; F107-L134 HydrophobicContact CD1-CG 3.82Å; F107-L134 HydrophobicContact CE1-CD2 4.4Å; F107-L134 HydrophobicContact CE1-CG 3.99Å; P108-L134 HydrophobicContact CG-CD2 3.95Å; K121-L134 HydrophobicContact CG-CD1 4.23Å; K121-L134 HydrophobicContact CG-CD2 4.35Å; A130-L134 WeakPolarHBondContact O-CB 3.34Å; A130-L134 VanDerWaalsContact O-CG 3.25Å; A130-L134 WeakPolarHBondContact O-CG 3.37Å; A130-L134 PolarHBondContact O-N 3.45Å; Q131-L134 PolarHBondContact O-N 3Å; L134-R136 PolarHBondContact O-N 2.84Å; L134-M137 PolarHBondContact O-N 3.16Å; L134-Q138 PolarHBondContact O-N 3.24Å
135N87.6Confident82.1Confident91 Ų9173.9 Ų73.949%0.48738%0.377SS..Hα-helixtrans-64.2-39.1177.6-71.6-25.8000112Q131 Q138 K139Q131-N135 WeakPolarHBondContact O-CB 3.47Å; Q131-N135 PolarHBondContact O-N 3.24Å; Q131-N135 PolarHBondContact O-ND2 3.14Å; Q131-N135 VanDerWaalsContact O-ND2 3.14Å; N135-Q138 PolarHBondContact O-N 3.24Å; N135-K139 PolarHBondContact O-N 3.46Å
136R86.5Confident80.6Confident115 Ų11578 Ų7843%0.43439%0.388SS..Hα-helixtrans-66.1-38.2174.8-75.5-179.2-172.3-168.55.1112P94 V132 G133 L134 Q138 K139 V140P94-R136 HydrophobicContact CG-CB 3.51Å; P94-R136 HydrophobicContact CG-CG 4.46Å; V132-R136 WeakPolarHBondContact O-CB 3.31Å; V132-R136 WeakPolarHBondContact O-CG 3.23Å; V132-R136 PolarHBondContact O-N 3.46Å; G133-R136 PolarHBondContact O-N 3.13Å; L134-R136 PolarHBondContact O-N 2.84Å; R136-Q138 VanDerWaalsContact C-N 3.31Å; R136-Q138 PolarHBondContact O-N 2.88Å; R136-K139 PolarHBondContact O-N 3.48Å; R136-V140 WeakPolarHBondContact O-CG2 3.45Å; R136-V140 PolarHBondContact O-N 3.41Å
137M85.4Confident79.1Confident29 Ų2978.8 Ų78.814%0.14338%0.381CS..Hα-helixtrans-62.7-36.3177.6-74.3-66.5-74.100112.8P94 M105 F107 P108 G133 L134 S141P94-M137 HydrophobicContact CB-CG 3.64Å; P94-M137 HydrophobicContact CB-SD 3.62Å; P94-M137 HydrophobicContact CG-CG 4.24Å; P94-M137 HydrophobicContact CG-SD 4.38Å; M105-M137 HydrophobicContact SD-CE 3.86Å; M105-M137 HydrophobicContact SD-SD 4.36Å; F107-M137 HydrophobicContact CB-CG 3.97Å; F107-M137 HydrophobicContact CG-CG 4.43Å; P108-M137 VanDerWaalsContact O-CE 3.32Å; P108-M137 WeakPolarHBondContact O-CE 3.34Å; G133-M137 WeakPolarHBondContact O-CG 3.2Å; G133-M137 PolarHBondContact O-N 3.43Å; L134-M137 PolarHBondContact O-N 3.16Å; M137-S141 PolarHBondContact O-OG 3.3Å
138Q81.3Confident77.6Confident108 Ų10881.3 Ų81.351%0.50540%0.402SS..Hα-helixtrans-68.4-39.6178.2-70.9175-28.900112.5L134 N135 R136 V140 S141 S142L134-Q138 PolarHBondContact O-N 3.24Å; N135-Q138 PolarHBondContact O-N 3.24Å; R136-Q138 VanDerWaalsContact C-N 3.31Å; R136-Q138 PolarHBondContact O-N 2.88Å; Q138-V140 PolarHBondContact O-N 2.92Å; Q138-S141 PolarHBondContact O-N 3.2Å; Q138-S141 PolarHBondContact O-OG 3.22Å; Q138-S142 PolarHBondContact O-N 3.33Å; Q138-S142 PolarHBondContact O-OG 3.48Å
139K79Confident76Confident141 Ų14176.2 Ų76.261%0.61339%0.387SS*.Hα-helixtrans-64.2-39.3179.7-70.2-176.3178.6-171.80113.2N135 R136 S141 S142 E143N135-K139 PolarHBondContact O-N 3.46Å; R136-K139 PolarHBondContact O-N 3.48Å; K139-S141 VanDerWaalsContact C-N 3.26Å; K139-S141 PolarHBondContact O-N 2.95Å; K139-S142 PolarHBondContact O-N 3.4Å; K139-S142 VanDerWaalsContact O-N 3.09Å; K139-E143 PolarHBondContact O-N 3.16Å
140V73.3Confident74.4Confident73 Ų7380.3 Ų80.344%0.44241%0.411SS..Hα-helixtrans-60.2-36.4179.9174.40000111.8R136 Q138 N144R136-V140 WeakPolarHBondContact O-CG2 3.45Å; R136-V140 PolarHBondContact O-N 3.41Å; Q138-V140 PolarHBondContact O-N 2.92Å; V140-N144 WeakPolarHBondContact O-CB 3.28Å; V140-N144 VanDerWaalsContact O-CG 3.27Å; V140-N144 PolarHBondContact O-N 3.39Å; V140-N144 VanDerWaalsContact O-N 3.09Å; V140-N144 PolarHBondContact O-ND2 3.3Å
141S67.2Low72.8Confident16 Ų1687.7 Ų87.711%0.11245%0.445CS..Hα-helixtrans-65-45.3173.68.80000112.2P110 M137 Q138 K139 E143 N144 E145P110-S141 WeakPolarHBondContact CB-OG 3.48Å; P110-S141 WeakPolarHBondContact CG-OG 3.36Å; M137-S141 PolarHBondContact O-OG 3.3Å; Q138-S141 PolarHBondContact O-N 3.2Å; Q138-S141 PolarHBondContact O-OG 3.22Å; K139-S141 VanDerWaalsContact C-N 3.26Å; K139-S141 PolarHBondContact O-N 2.95Å; S141-E143 VanDerWaalsContact C-N 3.32Å; S141-E143 PolarHBondContact O-N 3.45Å; S141-N144 PolarHBondContact O-N 2.84Å; S141-E145 WeakPolarHBondContact O-CB 3.46Å; S141-E145 VanDerWaalsContact O-CG 3.26Å; S141-E145 WeakPolarHBondContact O-CG 3.24Å; S141-E145 PolarHBondContact O-N 2.89Å
142S66.6Low71.2Confident60 Ų6087.4 Ų87.442%0.4245%0.451SS..Hα-helixtrans-64.2-37.9-179.4-49.90000112.1Q138 K139 Q146Q138-S142 PolarHBondContact O-N 3.33Å; Q138-S142 PolarHBondContact O-OG 3.48Å; K139-S142 PolarHBondContact O-N 3.4Å; K139-S142 VanDerWaalsContact O-N 3.09Å; S142-Q146 WeakPolarHBondContact O-CG 3.36Å; S142-Q146 PolarHBondContact O-N 3.16Å; S142-Q146 VanDerWaalsContact O-N 3.1Å
143E66.3Low69.5Low105 Ų10586.7 Ų86.749%0.49145%0.449SS..Hα-helixtrans-67-46.5175.6-70.4173.3166.500111.1K139 S141 E145 Q146 Y147K139-E143 PolarHBondContact O-N 3.16Å; S141-E143 VanDerWaalsContact C-N 3.32Å; S141-E143 PolarHBondContact O-N 3.45Å; E143-E145 VanDerWaalsContact C-N 3.29Å; E143-E145 PolarHBondContact O-N 3.48Å; E143-Q146 PolarHBondContact O-N 3.49Å; E143-Q146 VanDerWaalsContact O-N 3.15Å; E143-Y147 WeakPolarHBondContact O-CD2 3.42Å; E143-Y147 PolarHBondContact O-N 3.2Å
144N62.9Low67.6Low101 Ų10190.5 Ų90.554%0.5448%0.475SS..Hα-helixtrans-63.9-34177.9-72.9-18.9000112.8V140 S141 A148V140-N144 WeakPolarHBondContact O-CB 3.28Å; V140-N144 VanDerWaalsContact O-CG 3.27Å; V140-N144 PolarHBondContact O-N 3.39Å; V140-N144 VanDerWaalsContact O-N 3.09Å; V140-N144 PolarHBondContact O-ND2 3.3Å; S141-N144 PolarHBondContact O-N 2.84Å; N144-A148 WeakPolarHBondContact O-CB 3.45Å; N144-A148 PolarHBondContact O-N 3.23Å
145E60.3Low66.1Low114 Ų11493 Ų9353%0.53350%0.496SS..Hα-helixtrans-67.7-36.9174.2-74.2171.7150.600111.9S141 E143 A149S141-E145 WeakPolarHBondContact O-CB 3.46Å; S141-E145 VanDerWaalsContact O-CG 3.26Å; S141-E145 WeakPolarHBondContact O-CG 3.24Å; S141-E145 PolarHBondContact O-N 2.89Å; E143-E145 VanDerWaalsContact C-N 3.29Å; E143-E145 PolarHBondContact O-N 3.48Å; E145-A149 WeakPolarHBondContact O-CB 3.32Å; E145-A149 PolarHBondContact O-N 3.43Å
146Q59.4Low64.3Low131 Ų13193.7 Ų93.761%0.61250%0.503SS*.Hα-helixtrans-67-45.9174.5-75.9175.5-1.900112S142 E143 A148 A149 D150S142-Q146 WeakPolarHBondContact O-CG 3.36Å; S142-Q146 PolarHBondContact O-N 3.16Å; S142-Q146 VanDerWaalsContact O-N 3.1Å; E143-Q146 PolarHBondContact O-N 3.49Å; E143-Q146 VanDerWaalsContact O-N 3.15Å; Q146-A148 VanDerWaalsContact C-N 3.35Å; Q146-A148 PolarHBondContact O-N 2.87Å; Q146-A149 PolarHBondContact O-N 3.31Å; Q146-D150 PolarHBondContact O-N 3.31Å
147Y58.6Low62.7Low173 Ų17394.9 Ų94.968%0.67852%0.518SS*.Hα-helixtrans-62.4-39.9176.3-78.6-74.6000112.4E143 A149 D150 E151E143-Y147 WeakPolarHBondContact O-CD2 3.42Å; E143-Y147 PolarHBondContact O-N 3.2Å; Y147-A149 VanDerWaalsContact C-N 3.35Å; Y147-A149 PolarHBondContact O-N 2.92Å; Y147-D150 PolarHBondContact O-N 2.97Å; Y147-E151 PolarHBondContact O-N 3.49Å; Y147-E151 VanDerWaalsContact O-N 3.17Å
148A59.9Low61Low58 Ų58100.9 Ų100.948%0.47955%0.55SS..Hα-helixtrans-67.8-33.6176.800000112.9N144 Q146 T152N144-A148 WeakPolarHBondContact O-CB 3.45Å; N144-A148 PolarHBondContact O-N 3.23Å; Q146-A148 VanDerWaalsContact C-N 3.35Å; Q146-A148 PolarHBondContact O-N 2.87Å; A148-T152 PolarHBondContact O-N 2.86Å; A148-T152 PolarHBondContact O-OG1 3.34Å
149A58.8Low59.5Low54 Ų54103 Ų10345%0.44656%0.564SS.*Hα-helixtrans-70.6-39.9176.200000112.2E145 Q146 Y147 T152 S153E145-A149 WeakPolarHBondContact O-CB 3.32Å; E145-A149 PolarHBondContact O-N 3.43Å; Q146-A149 PolarHBondContact O-N 3.31Å; Y147-A149 VanDerWaalsContact C-N 3.35Å; Y147-A149 PolarHBondContact O-N 2.92Å; A149-T152 PolarHBondContact O-N 3.28Å; A149-S153 PolarHBondContact O-N 3.31Å; A149-S153 PolarHBondContact O-OG 2.91Å
150D59.1Low57.9Low109 Ų109104.5 Ų104.558%0.58358%0.578SS**Hα-helixtrans-70.5-34179.3-79.3-14.9000113Q146 Y147 T152 S153 S154Q146-D150 PolarHBondContact O-N 3.31Å; Y147-D150 PolarHBondContact O-N 2.97Å; D150-T152 VanDerWaalsContact C-N 3.31Å; D150-T152 PolarHBondContact O-N 2.83Å; D150-S153 WeakPolarHBondContact CA-OG 3.27Å; D150-S153 PolarHBondContact O-OG 3.42Å; D150-S154 VanDerWaalsContact O-CB 3.31Å; D150-S154 WeakPolarHBondContact O-CB 3.35Å; D150-S154 PolarHBondContact O-N 2.79Å; D150-S154 VanDerWaalsContact O-N 3.07Å
151E58.9Low56.6Low154 Ų154108.4 Ų108.472%0.7260%0.596SS**Hα-helixtrans-70-29174.3-69.5-153.7156.100112.9Y147 S155Y147-E151 PolarHBondContact O-N 3.49Å; Y147-E151 VanDerWaalsContact O-N 3.17Å; E151-S155 PolarHBondContact O-N 2.8Å; E151-S155 PolarHBondContact O-OG 2.69Å
152T57Low55.6Low95 Ų95115.3 Ų115.358%0.58363%0.632SS**Hα-helixtrans-78.1-31.6179.4-52.80000112.2A148 A149 D150 S155 T156A148-T152 PolarHBondContact O-N 2.86Å; A148-T152 PolarHBondContact O-OG1 3.34Å; A149-T152 PolarHBondContact O-N 3.28Å; D150-T152 VanDerWaalsContact C-N 3.31Å; D150-T152 PolarHBondContact O-N 2.83Å; T152-S155 PolarHBondContact O-OG 3.34Å; T152-T156 PolarHBondContact O-OG1 3.1Å
153S54.1Low54.5Low60 Ų60115.4 Ų115.442%0.4264%0.642SS.*Hα-helixtrans-85.9-22.4177.550.90000113.6A149 D150 N157A149-S153 PolarHBondContact O-N 3.31Å; A149-S153 PolarHBondContact O-OG 2.91Å; D150-S153 WeakPolarHBondContact CA-OG 3.27Å; D150-S153 PolarHBondContact O-OG 3.42Å; S153-N157 PolarHBondContact O-ND2 2.88Å
154S49.8Very low53.2Low83 Ų83119.2 Ų119.258%0.5866%0.66SS**Hα-helixtrans-79.2-29.6174-1610000113D150D150-S154 VanDerWaalsContact O-CB 3.31Å; D150-S154 WeakPolarHBondContact O-CB 3.35Å; D150-S154 PolarHBondContact O-N 2.79Å; D150-S154 VanDerWaalsContact O-N 3.07Å
155S55.4Low52.1Low84 Ų84126.3 Ų126.359%0.58768%0.679SS**SBendtrans-80.3-13178.846.50000114.6E151 T152E151-S155 PolarHBondContact O-N 2.8Å; E151-S155 PolarHBondContact O-OG 2.69Å; T152-S155 PolarHBondContact O-OG 3.34Å
156T51.5Low51.5Low104 Ų104130.4 Ų130.464%0.63870%0.695SS**SBendtrans-97.1-8.6-178.127.90000115.2T152T152-T156 PolarHBondContact O-OG1 3.1Å
157N50.8Low50.6Low141 Ų141135.4 Ų135.475%0.75471%0.71SS**SBendtrans-102.47.5-176.4-77.4-50.7000115.8S153S153-N157 PolarHBondContact O-ND2 2.88Å
158L50.8Low49.7Very low154 Ų154137 Ų13781%0.80672%0.715SS**SBendtrans-110.115.1-179-89.1164.7000115
159L50.1Low48.8Very low154 Ų154143.4 Ų143.481%0.80673%0.727SS**SBendtrans-120.247.5-178.8-69.7178.3000113.3
160L45.4Very low48Very low172 Ų172150.7 Ų150.790%0.90174%0.743SS**SBendtrans-146.4136.1159.4-70.4175.1000108.6
161D44.8Very low47Very low154 Ų154150.6 Ų150.682%0.82475%0.751SS**  trans83.281.7176.6-134.234.9000116.2
162D47.5Very low46.3Very low162 Ų162155.1 Ų155.187%0.86676%0.761SS**  -166125.1122.9-102.1-38.3000110.6
163G43.1Very low45.8Very low62 Ų62156.9 Ų156.964%0.63977%0.771SS**  trans-66.4161.2178.200000113.4
164E38.6Very low45.6Very low185 Ų185159.7 Ų159.786%0.86479%0.788SS**  trans58.388.7155.5-61-166105.200117.6
165R40.9Very low45.6Very low250 Ų250163 Ų16394%0.94380%0.8SS**  trans-144.2101.2140.9-112.6169.9-129.2-170.33.8112.5Y167R165-Y167 PolarHBondContact O-N 3.11Å
166K47.6Very low45.8Very low199 Ų199166.5 Ų166.587%0.86581%0.81SS**  trans-47.3114.3159.1-70.8164.9176.2164.20109.8
167Y39Very low45.9Very low236 Ų236166.5 Ų166.593%0.92581%0.81SS**  trans-150.4119.3139.3-136-98.4000111.6R165R165-Y167 PolarHBondContact O-N 3.11Å
168R41.1Very low45.9Very low206 Ų206169.7 Ų169.778%0.77781%0.811SS**  trans-86.8144.4178-164.6-176-171.8179.14.7107.4
169R41Very low45.8Very low194 Ų194171.1 Ų171.173%0.73281%0.806SS**  trans109.7120.8150.6-62.2-170177.6-173.30.4118.1
170R41Very low45.8Very low207 Ų207172.5 Ų172.578%0.78181%0.813SS**  trans80.4104.3131.8-78.1179172-166.3-4118.1
171S38.3Very low46Very low107 Ų107171.7 Ų171.775%0.74880%0.802SS**  48112.4114.2-43.30000117
172R44.3Very low46.3Very low248 Ų248175.1 Ų175.194%0.93681%0.805SS**  trans-173.2103.1130.9-101.3162.9-164.2-153.15.1109.2
173V47.2Very low46.9Very low133 Ų133177.6 Ų177.681%0.80683%0.826SS**  trans-68.3128.8156178.90000106.4D175V173-D175 PolarHBondContact O-N 2.91Å
174P49Very low47.1Very low119 Ų119183.4 Ų183.477%0.77384%0.835SS**  trans-76.2108.1169.4-825000109.1
175D51Low47.6Very low153 Ų153183.3 Ų183.382%0.81883%0.834SS**  trans-80115.1158-103.8-41.8000108.2V173V173-D175 PolarHBondContact O-N 2.91Å
176I58.7Low47.9Very low156 Ų156179.6 Ų179.680%0.883%0.827SS**  trans-116.896.1164.8-121.3164.1000105.3
177V54Low47.9Very low105 Ų105178.5 Ų178.564%0.63683%0.825SS**  62123.989.2175.20000110.4
178R50.9Low48.5Very low207 Ų207174.9 Ų174.978%0.78182%0.819SS**  cis-170.3134.44.3-113.9174.9-171.7168.7-3105
179R48.6Very low49Very low185 Ų185172.8 Ų172.870%0.69882%0.822SS**  69102110.1-155.9-172.3-126.1-158.43.3116.4K181R179-K181 HydrophobicContact CG-CG 4.45Å
180L48.8Very low49.6Very low183 Ų183171.3 Ų171.396%0.95883%0.828SS**  trans-132.8127.1133.9-89170000108.7
181K50.9Low50.2Low155 Ų155168.5 Ų168.567%0.67483%0.832SS**  trans-86.8149.7-169.3-75174.2168.4-174.50110.8R179R179-K181 HydrophobicContact CG-CG 4.45Å
182Y51.2Low51.2Low226 Ų226173.7 Ų173.789%0.88684%0.839SS**  trans-20.1128.3151-67.1-94.1000115.9
183V60.1Low51.8Low214 Ų214166.9 Ų166.9100%1.29783%0.83SS**  -125.80125.5179.40000106.2

Retrieved 183 of 183 residues in 282.3 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).