A0A077ZCT8_TRITR Loading...

Heparan sulfate glucosamine 3-O-sulfotransferase 3A1

AlphaFold DB , UniProt , Accession A0A077ZCT8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 98 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
1M93.3Very high95.5Very high184 Ų18474.5 Ų74.591%0.90641%0.406SS*.  0139.20-179.5178.7-74.100108.4F3M1-F3 HydrophobicContact CB-CE2 4.5Å; M1-F3 HydrophobicContact CG-CE2 4.18Å; M1-F3 HydrophobicContact CG-CZ 4.15Å; M1-F3 HydrophobicContact SD-CE1 4.01Å; M1-F3 HydrophobicContact SD-CE2 4.11Å; M1-F3 HydrophobicContact SD-CZ 3.51Å; M1-F3 VanDerWaalsContact SD-CZ 3.51Å
2L95.7Very high95.5Very high41 Ų4173.9 Ų73.922%0.21540%0.402CS..  trans-100.3136.1175.9177.967.7000111V4 V20 F23L2-V4 HydrophobicContact CD2-CG2 3.92Å; L2-V4 HydrophobicContact CG-CG2 4.15Å; L2-V20 HydrophobicContact CD2-CB 4.35Å; L2-V20 HydrophobicContact CD2-CG2 3.92Å; L2-F23 HydrophobicContact CB-CB 4.23Å; L2-F23 HydrophobicContact CB-CD1 3.69Å; L2-F23 HydrophobicContact CB-CD2 3.68Å; L2-F23 HydrophobicContact CB-CE1 3.92Å; L2-F23 HydrophobicContact CB-CE2 3.91Å; L2-F23 HydrophobicContact CB-CG 3.57Å; L2-F23 HydrophobicContact CB-CZ 4.02Å; L2-F23 HydrophobicContact CD2-CB 3.73Å; L2-F23 HydrophobicContact CD2-CD1 3.98Å; L2-F23 HydrophobicContact CD2-CG 3.9Å; L2-F23 HydrophobicContact CG-CB 4.37Å; L2-F23 HydrophobicContact CG-CD1 4.46Å; L2-F23 HydrophobicContact CG-CG 4.23Å
3F96.8Very high95.7Very high60 Ų6068.4 Ų68.426%0.26337%0.372SS..  trans-110.4117.2168.7-62-85.1000110M1 R19 F85 T89 F93M1-F3 HydrophobicContact CB-CE2 4.5Å; M1-F3 HydrophobicContact CG-CE2 4.18Å; M1-F3 HydrophobicContact CG-CZ 4.15Å; M1-F3 HydrophobicContact SD-CE1 4.01Å; M1-F3 HydrophobicContact SD-CE2 4.11Å; M1-F3 HydrophobicContact SD-CZ 3.51Å; M1-F3 VanDerWaalsContact SD-CZ 3.51Å; F3-R19 PolarHBondContact O-NH2 2.96Å; F3-F85 AromaticContact CD1-CE2 4Å; F3-F85 HydrophobicContact CD1-CE2 4Å; F3-F85 AromaticContact CD1-CZ 3.56Å; F3-F85 HydrophobicContact CD1-CZ 3.56Å; F3-F85 AromaticContact CE1-CE2 3.73Å; F3-F85 HydrophobicContact CE1-CE2 3.73Å; F3-F85 AromaticContact CE1-CZ 3.82Å; F3-F85 HydrophobicContact CE1-CZ 3.82Å; F3-F85 HydrophobicContact CG-CZ 4.14Å; F3-F85 HydrophobicContact CZ-CE2 4.32Å; F3-T89 HydrophobicContact CD1-CG2 4.18Å; F3-T89 HydrophobicContact CD2-CG2 3.5Å; F3-T89 VanDerWaalsContact CD2-CG2 3.5Å; F3-T89 HydrophobicContact CE1-CG2 3.99Å; F3-T89 HydrophobicContact CE2-CG2 3.28Å; F3-T89 HydrophobicContact CG-CG2 3.94Å; F3-T89 HydrophobicContact CZ-CG2 3.54Å; F3-F93 HydrophobicContact CB-CZ 3.95Å
4V96.5Very high95.8Very high65 Ų6563.5 Ų63.539%0.39435%0.346SS..  trans-91.5132.3-178.7179.40000109.5L2 G6 E16 V20L2-V4 HydrophobicContact CD2-CG2 3.92Å; L2-V4 HydrophobicContact CG-CG2 4.15Å; V4-G6 PolarHBondContact O-N 3.49Å; V4-E16 VanDerWaalsContact CA-OE1 3.25Å; V4-E16 WeakPolarHBondContact CA-OE1 3.1Å; V4-E16 HydrophobicContact CG1-CG 3.62Å; V4-E16 WeakPolarHBondContact CG1-OE1 3.38Å; V4-V20 HydrophobicContact CG2-CG2 3.95Å
5S96.3Very high95.9Very high7 Ų761.2 Ų61.25%0.04934%0.338CS..  trans-80.3117175.4169.10000110.1E7 K8 L9 E16S5-E7 VanDerWaalsContact C-N 3.31Å; S5-E7 PolarHBondContact O-N 3.09Å; S5-E7 PolarHBondContact OG-N 3.04Å; S5-E7 PolarHBondContact OG-OE2 3.01Å; S5-K8 PolarHBondContact O-N 3.3Å; S5-K8 PolarHBondContact OG-N 3.3Å; S5-K8 VanDerWaalsContact OG-N 3.12Å; S5-L9 WeakPolarHBondContact O-CB 3.46Å; S5-L9 PolarHBondContact O-N 2.9Å; S5-E16 PolarHBondContact N-OE1 3.14Å
6G95.2Very high96Very high43 Ų4357.5 Ų57.544%0.44332%0.318SS..Hα-helixtrans-60.2-39.5173.300000112.4V4 L9 V10V4-G6 PolarHBondContact O-N 3.49Å; G6-L9 PolarHBondContact O-N 3.35Å; G6-V10 WeakPolarHBondContact O-CG2 3.38Å; G6-V10 PolarHBondContact O-N 3Å
7E95Very high96.1Very high74 Ų7456.9 Ų56.935%0.34631%0.313SS..Hα-helixtrans-64.2-43.9177.5-64.476.8-16700112.3S5 L9 V10 T11 W96S5-E7 VanDerWaalsContact C-N 3.31Å; S5-E7 PolarHBondContact O-N 3.09Å; S5-E7 PolarHBondContact OG-N 3.04Å; S5-E7 PolarHBondContact OG-OE2 3.01Å; E7-L9 VanDerWaalsContact C-N 3.33Å; E7-V10 PolarHBondContact O-N 3.42Å; E7-T11 WeakPolarHBondContact O-CG2 3.43Å; E7-T11 PolarHBondContact O-N 3.31Å; E7-T11 PolarHBondContact O-OG1 3.47Å; E7-W96 VanDerWaalsContact OE1-CD1 3.29Å; E7-W96 PolarHBondContact OE1-NE1 2.97Å; E7-W96 PolarHBondContact OE2-NE1 3.08Å
8K95.1Very high96.2Very high115 Ų11558.8 Ų58.850%0.532%0.315SS..Hα-helixtrans-69.6-33.4176.7-70.6-172.7176.2-177.60111.7S5 V10 T11 N12 E16S5-K8 PolarHBondContact O-N 3.3Å; S5-K8 PolarHBondContact OG-N 3.3Å; S5-K8 VanDerWaalsContact OG-N 3.12Å; K8-V10 PolarHBondContact O-N 3.34Å; K8-T11 WeakPolarHBondContact CA-OG1 3.46Å; K8-T11 PolarHBondContact O-N 3.4Å; K8-N12 CarbonylContact O-C 3.51Å; K8-N12 WeakPolarHBondContact O-CA 3.44Å; K8-N12 PolarHBondContact O-N 2.9Å; K8-N12 VanDerWaalsContact O-O 3.09Å; K8-E16 HydrophobicContact CB-CB 4.2Å; K8-E16 HydrophobicContact CB-CG 4.27Å
9L95.5Very high96.3Very high70 Ų7058.3 Ų58.337%0.36631%0.308SS..Hα-helixtrans-63.3-30.7175.6-167.763.8000112S5 G6 E7 P13 E16 M17S5-L9 WeakPolarHBondContact O-CB 3.46Å; S5-L9 PolarHBondContact O-N 2.9Å; G6-L9 PolarHBondContact O-N 3.35Å; E7-L9 VanDerWaalsContact C-N 3.33Å; L9-P13 WeakPolarHBondContact O-CB 3.45Å; L9-E16 HydrophobicContact CB-CG 4.39Å; L9-E16 HydrophobicContact CD1-CB 4.39Å; L9-E16 HydrophobicContact CD1-CG 4.4Å; L9-M17 HydrophobicContact CD1-SD 4.26Å
10V95.6Very high96.4Very high59 Ų5956.8 Ų56.836%0.35830%0.301SS..Hα-helixtrans-79-47.7173.11770000111.7G6 E7 K8 F41 P42G6-V10 WeakPolarHBondContact O-CG2 3.38Å; G6-V10 PolarHBondContact O-N 3Å; E7-V10 PolarHBondContact O-N 3.42Å; K8-V10 PolarHBondContact O-N 3.34Å; V10-F41 HydrophobicContact CG1-CD1 4.11Å; V10-F41 HydrophobicContact CG1-CE1 4.46Å; V10-F41 HydrophobicContact CG2-CD1 4.24Å; V10-F41 HydrophobicContact CG2-CE1 4.43Å; V10-P42 WeakPolarHBondContact O-CD 3.3Å
11T95.1Very high96.5Very high102 Ų10254.6 Ų54.663%0.62629%0.289SS*.Hα-helixtrans-85-31.6-169.952.80000114.3E7 K8 Q37E7-T11 WeakPolarHBondContact O-CG2 3.43Å; E7-T11 PolarHBondContact O-N 3.31Å; E7-T11 PolarHBondContact O-OG1 3.47Å; K8-T11 WeakPolarHBondContact CA-OG1 3.46Å; K8-T11 PolarHBondContact O-N 3.4Å; T11-Q37 PolarHBondContact O-NE2 3.47Å
12N96.3Very high96.7Very high67 Ų6754.7 Ų54.736%0.35828%0.279SS..  trans-147.669.5179.5-167.7-24.2000110.5K8 A14 A15 E16K8-N12 CarbonylContact O-C 3.51Å; K8-N12 WeakPolarHBondContact O-CA 3.44Å; K8-N12 PolarHBondContact O-N 2.9Å; K8-N12 VanDerWaalsContact O-O 3.09Å; N12-A14 VanDerWaalsContact C-N 3.31Å; N12-A14 PolarHBondContact O-N 3.48Å; N12-A15 HydrophobicContact CB-CB 4.27Å; N12-A15 VanDerWaalsContact CG-CB 3.41Å; N12-A15 PolarHBondContact O-N 3.44Å; N12-A15 WeakPolarHBondContact OD1-CB 3.36Å; N12-A15 PolarHBondContact OD1-N 3.04Å; N12-A15 VanDerWaalsContact OD1-N 3.11Å; N12-E16 PolarHBondContact O-N 2.92Å
13P97.5Very high96.8Very high2 Ų258 Ų581%0.01329%0.292CS..Hα-helixtrans-58.3-39.7-174.321.3-33.2000112.7L9 A15 E16 M17 F35 P42L9-P13 WeakPolarHBondContact O-CB 3.45Å; P13-A15 PolarHBondContact O-N 3.37Å; P13-E16 PolarHBondContact O-N 3.38Å; P13-M17 WeakPolarHBondContact O-CB 3.27Å; P13-M17 VanDerWaalsContact O-CG 3.25Å; P13-M17 WeakPolarHBondContact O-CG 3.34Å; P13-M17 PolarHBondContact O-N 3.26Å; P13-F35 HydrophobicContact CB-CD1 3.74Å; P13-F35 HydrophobicContact CB-CD2 3.91Å; P13-F35 HydrophobicContact CB-CE1 3.73Å; P13-F35 HydrophobicContact CB-CE2 3.89Å; P13-F35 HydrophobicContact CB-CG 3.83Å; P13-F35 HydrophobicContact CB-CZ 3.81Å; P13-F35 HydrophobicContact CG-CB 3.81Å; P13-F35 HydrophobicContact CG-CD1 3.79Å; P13-F35 HydrophobicContact CG-CD2 3.73Å; P13-F35 HydrophobicContact CG-CE1 4.29Å; P13-F35 HydrophobicContact CG-CE2 4.23Å; P13-F35 HydrophobicContact CG-CG 3.48Å; P13-F35 VanDerWaalsContact CG-CG 3.48Å; P13-F35 HydrophobicContact CG-CZ 4.5Å; P13-P42 HydrophobicContact CB-CG 4.45Å; P13-P42 HydrophobicContact CG-CB 3.89Å; P13-P42 HydrophobicContact CG-CG 4.12Å
14A97.5Very high96.9Very high0 Ų059.8 Ų59.80%030%0.304CS..Hα-helixtrans-65.3-42-179.200000112N12 E16 M17 R18 D32 F35N12-A14 VanDerWaalsContact C-N 3.31Å; N12-A14 PolarHBondContact O-N 3.48Å; A14-E16 VanDerWaalsContact C-N 3.31Å; A14-E16 PolarHBondContact O-N 2.94Å; A14-M17 PolarHBondContact O-N 3.36Å; A14-R18 WeakPolarHBondContact O-CG 3.45Å; A14-R18 PolarHBondContact O-N 2.84Å; A14-D32 HydrophobicContact CB-CB 4.44Å; A14-D32 WeakPolarHBondContact CB-OD1 3.33Å; A14-F35 HydrophobicContact CB-CD2 4.24Å; A14-F35 HydrophobicContact CB-CE2 4.17Å
15A97.1Very high97Very high29 Ų2965.2 Ų65.224%0.2433%0.325CS..Hα-helixtrans-63.9-38.1176.300000112.7N12 P13N12-A15 HydrophobicContact CB-CB 4.27Å; N12-A15 VanDerWaalsContact CG-CB 3.41Å; N12-A15 PolarHBondContact O-N 3.44Å; N12-A15 WeakPolarHBondContact OD1-CB 3.36Å; N12-A15 PolarHBondContact OD1-N 3.04Å; N12-A15 VanDerWaalsContact OD1-N 3.11Å; P13-A15 PolarHBondContact O-N 3.37Å
16E97.6Very high97Very high2 Ų269.6 Ų69.61%0.00935%0.347CS..Hα-helixtrans-71.4-40.4177.4-165.662-165.500111.3V4 S5 K8 L9 N12 P13 A14 R18 R19 V20V4-E16 VanDerWaalsContact CA-OE1 3.25Å; V4-E16 WeakPolarHBondContact CA-OE1 3.1Å; V4-E16 HydrophobicContact CG1-CG 3.62Å; V4-E16 WeakPolarHBondContact CG1-OE1 3.38Å; S5-E16 PolarHBondContact N-OE1 3.14Å; K8-E16 HydrophobicContact CB-CB 4.2Å; K8-E16 HydrophobicContact CB-CG 4.27Å; L9-E16 HydrophobicContact CB-CG 4.39Å; L9-E16 HydrophobicContact CD1-CB 4.39Å; L9-E16 HydrophobicContact CD1-CG 4.4Å; N12-E16 PolarHBondContact O-N 2.92Å; P13-E16 PolarHBondContact O-N 3.38Å; A14-E16 VanDerWaalsContact C-N 3.31Å; A14-E16 PolarHBondContact O-N 2.94Å; E16-R18 VanDerWaalsContact C-N 3.34Å; E16-R18 PolarHBondContact O-N 3.33Å; E16-R19 VanDerWaalsContact CD-NH1 3.25Å; E16-R19 WeakPolarHBondContact O-CB 3.49Å; E16-R19 PolarHBondContact O-N 3.45Å; E16-R19 IonicContact OE1-CZ 3.64Å; E16-R19 IonicContact OE1-NH1 2.69Å; E16-R19 PolarHBondContact OE1-NH1 2.92Å; E16-R19 WeakPolarHBondContact OE2-CD 2.99Å; E16-R19 IonicContact OE2-CZ 3.97Å; E16-R19 IonicContact OE2-NH1 3Å; E16-R19 PolarHBondContact OE2-NH1 3.19Å; E16-V20 PolarHBondContact O-N 2.97Å
17M97.9Very high97.2Very high48 Ų4871.5 Ų71.524%0.23635%0.352CS..Hα-helixtrans-64-34.6173.9-71.9-52-62.300112.9L9 P13 A14 R19 V20 E21 I30 F35L9-M17 HydrophobicContact CD1-SD 4.26Å; P13-M17 WeakPolarHBondContact O-CB 3.27Å; P13-M17 VanDerWaalsContact O-CG 3.25Å; P13-M17 WeakPolarHBondContact O-CG 3.34Å; P13-M17 PolarHBondContact O-N 3.26Å; A14-M17 PolarHBondContact O-N 3.36Å; M17-R19 PolarHBondContact O-N 3.5Å; M17-V20 HydrophobicContact CE-CB 4.3Å; M17-V20 HydrophobicContact CE-CG1 4.35Å; M17-V20 CarbonylContact O-C 3.58Å; M17-V20 WeakPolarHBondContact O-CA 3.36Å; M17-V20 WeakPolarHBondContact O-CB 3.46Å; M17-V20 PolarHBondContact O-N 3.4Å; M17-V20 HydrophobicContact SD-CG2 4.32Å; M17-E21 PolarHBondContact O-N 3.26Å; M17-I30 HydrophobicContact CB-CB 4.28Å; M17-I30 HydrophobicContact CB-CD1 4.14Å; M17-I30 HydrophobicContact CB-CG2 3.79Å; M17-I30 HydrophobicContact CE-CD1 3.65Å; M17-I30 HydrophobicContact CG-CD1 4.41Å; M17-I30 HydrophobicContact CG-CG2 4.2Å; M17-F35 HydrophobicContact CG-CZ 3.99Å
18R97.8Very high97.2Very high91 Ų9173 Ų7334%0.34337%0.368SS..Hα-helixtrans-60.6-27.1171.8-76-171.9-63.4-91.99.9113.2A14 E16 R22A14-R18 WeakPolarHBondContact O-CG 3.45Å; A14-R18 PolarHBondContact O-N 2.84Å; E16-R18 VanDerWaalsContact C-N 3.34Å; E16-R18 PolarHBondContact O-N 3.33Å; R18-R22 WeakPolarHBondContact O-CG 3.49Å; R18-R22 PolarHBondContact O-N 3.46Å; R18-R22 PolarHBondContact O-NE 3.2Å
19R97.3Very high97.3Very high49 Ų4973.9 Ų73.919%0.18537%0.374CS..Hα-helixtrans-73-37.3171.7-63.7172.861.2-147.8-7.6110.9F3 E16 M17 F23F3-R19 PolarHBondContact O-NH2 2.96Å; E16-R19 VanDerWaalsContact CD-NH1 3.25Å; E16-R19 WeakPolarHBondContact O-CB 3.49Å; E16-R19 PolarHBondContact O-N 3.45Å; E16-R19 IonicContact OE1-CZ 3.64Å; E16-R19 IonicContact OE1-NH1 2.69Å; E16-R19 PolarHBondContact OE1-NH1 2.92Å; E16-R19 WeakPolarHBondContact OE2-CD 2.99Å; E16-R19 IonicContact OE2-CZ 3.97Å; E16-R19 IonicContact OE2-NH1 3Å; E16-R19 PolarHBondContact OE2-NH1 3.19Å; M17-R19 PolarHBondContact O-N 3.5Å; R19-F23 WeakPolarHBondContact O-CB 3.35Å; R19-F23 PolarHBondContact O-N 2.86Å
20V98.3Very high97.3Very high28 Ų2872.6 Ų72.617%0.1737%0.367CS..Hα-helixtrans-66.4-48.4175.8-178.20000110.9L2 V4 E16 M17 R22 F23 L24L2-V20 HydrophobicContact CD2-CB 4.35Å; L2-V20 HydrophobicContact CD2-CG2 3.92Å; V4-V20 HydrophobicContact CG2-CG2 3.95Å; E16-V20 PolarHBondContact O-N 2.97Å; M17-V20 HydrophobicContact CE-CB 4.3Å; M17-V20 HydrophobicContact CE-CG1 4.35Å; M17-V20 CarbonylContact O-C 3.58Å; M17-V20 WeakPolarHBondContact O-CA 3.36Å; M17-V20 WeakPolarHBondContact O-CB 3.46Å; M17-V20 PolarHBondContact O-N 3.4Å; M17-V20 HydrophobicContact SD-CG2 4.32Å; V20-R22 VanDerWaalsContact C-N 3.34Å; V20-R22 PolarHBondContact O-N 3.4Å; V20-F23 PolarHBondContact O-N 2.81Å; V20-F23 VanDerWaalsContact O-N 3.16Å; V20-L24 HydrophobicContact CG1-CD1 3.84Å; V20-L24 HydrophobicContact CG1-CG 4.39Å; V20-L24 WeakPolarHBondContact O-CG 3.48Å; V20-L24 PolarHBondContact O-N 2.97Å
21E98.6Very high97.4Very high11 Ų1172.2 Ų72.25%0.05137%0.365CS..Hα-helixtrans-55.4-47.8176.2-70.4174.9134.300111.2M17 F23 L24 E25 L26 Q29 I30M17-E21 PolarHBondContact O-N 3.26Å; E21-F23 PolarHBondContact O-N 2.96Å; E21-L24 CarbonylContact O-C 3.48Å; E21-L24 PolarHBondContact O-N 3.22Å; E21-E25 PolarHBondContact O-N 3.01Å; E21-E25 VanDerWaalsContact O-N 3.07Å; E21-L26 HydrophobicContact CB-CB 4.32Å; E21-L26 PolarHBondContact O-N 2.9Å; E21-Q29 PolarHBondContact OE1-N 3.13Å; E21-I30 HydrophobicContact CG-CD1 4.4Å; E21-I30 WeakPolarHBondContact OE1-CG1 3.35Å; E21-I30 PolarHBondContact OE1-N 3.17Å
22R97.9Very high97.4Very high185 Ų18571.2 Ų71.270%0.69836%0.356SS*.Hα-helixtrans-62.2-41.5176.2-76.7-171.7-66.4168.4-1.7113.5R18 V20 L24 E25R18-R22 WeakPolarHBondContact O-CG 3.49Å; R18-R22 PolarHBondContact O-N 3.46Å; R18-R22 PolarHBondContact O-NE 3.2Å; V20-R22 VanDerWaalsContact C-N 3.34Å; V20-R22 PolarHBondContact O-N 3.4Å; R22-L24 PolarHBondContact O-N 2.89Å; R22-E25 PolarHBondContact O-N 2.89Å
23F97.7Very high97.4Very high110 Ų11073.8 Ų73.848%0.48237%0.367SS..Hα-helixtrans-65.1-31178.2173.7-104.8000112.4L2 R19 V20 E21L2-F23 HydrophobicContact CB-CB 4.23Å; L2-F23 HydrophobicContact CB-CD1 3.69Å; L2-F23 HydrophobicContact CB-CD2 3.68Å; L2-F23 HydrophobicContact CB-CE1 3.92Å; L2-F23 HydrophobicContact CB-CE2 3.91Å; L2-F23 HydrophobicContact CB-CG 3.57Å; L2-F23 HydrophobicContact CB-CZ 4.02Å; L2-F23 HydrophobicContact CD2-CB 3.73Å; L2-F23 HydrophobicContact CD2-CD1 3.98Å; L2-F23 HydrophobicContact CD2-CG 3.9Å; L2-F23 HydrophobicContact CG-CB 4.37Å; L2-F23 HydrophobicContact CG-CD1 4.46Å; L2-F23 HydrophobicContact CG-CG 4.23Å; R19-F23 WeakPolarHBondContact O-CB 3.35Å; R19-F23 PolarHBondContact O-N 2.86Å; V20-F23 PolarHBondContact O-N 2.81Å; V20-F23 VanDerWaalsContact O-N 3.16Å; E21-F23 PolarHBondContact O-N 2.96Å
24L98.4Very high97.4Very high98 Ų9875.2 Ų75.251%0.51337%0.374SS..THydrogen-bonded Turntrans-92.44.8178-62.8177.2000113.4V20 E21 R22 L26V20-L24 HydrophobicContact CG1-CD1 3.84Å; V20-L24 HydrophobicContact CG1-CG 4.39Å; V20-L24 WeakPolarHBondContact O-CG 3.48Å; V20-L24 PolarHBondContact O-N 2.97Å; E21-L24 CarbonylContact O-C 3.48Å; E21-L24 PolarHBondContact O-N 3.22Å; R22-L24 PolarHBondContact O-N 2.89Å; L24-L26 HydrophobicContact CB-CD1 3.97Å; L24-L26 HydrophobicContact CB-CG 3.88Å; L24-L26 HydrophobicContact CD1-CD1 4.1Å; L24-L26 PolarHBondContact O-N 3.08Å
25E98.3Very high97.4Very high180 Ų18077 Ų7784%0.84138%0.381SS*.THydrogen-bonded Turntrans55.534.4-176.2-58.2179.7-172.400113.7E21 R22E21-E25 PolarHBondContact O-N 3.01Å; E21-E25 VanDerWaalsContact O-N 3.07Å; R22-E25 PolarHBondContact O-N 2.89Å
26L98.3Very high97.3Very high98 Ų9877.2 Ų77.251%0.51338%0.378SS..  trans-91.5146.9176.7-61.4175.5000111.4E21 L24E21-L26 HydrophobicContact CB-CB 4.32Å; E21-L26 PolarHBondContact O-N 2.9Å; L24-L26 HydrophobicContact CB-CD1 3.97Å; L24-L26 HydrophobicContact CB-CG 3.88Å; L24-L26 HydrophobicContact CD1-CD1 4.1Å; L24-L26 PolarHBondContact O-N 3.08Å
27P97.7Very high97.1Very high84 Ų8482 Ų8255%0.54540%0.401SS..  trans-57.6144.3168.5-2232.9000111.2Q29P27-Q29 PolarHBondContact O-N 3.23Å; P27-Q29 VanDerWaalsContact O-N 3.07Å
28P96.6Very high96.9Very high105 Ų10584.8 Ų84.868%0.68243%0.425SS*.  trans-71.2105.1178.229.4-33.9000110.2
29Q95.6Very high96.5Very high133 Ų13382.6 Ų82.662%0.62143%0.431SS*.  trans-115.6-32.1-179.5-64.1-65.8-37.400111.2E21 P27 T31 H34E21-Q29 PolarHBondContact OE1-N 3.13Å; P27-Q29 PolarHBondContact O-N 3.23Å; P27-Q29 VanDerWaalsContact O-N 3.07Å; Q29-T31 PolarHBondContact O-N 3.5Å; Q29-H34 PolarHBondContact O-CE1 3.27Å
30I96Very high96.2Very high44 Ų4488.1 Ų88.123%0.22646%0.458CS..  trans-80.3115.2-176.1-62.1169.2000110.3M17 E21 F35M17-I30 HydrophobicContact CB-CB 4.28Å; M17-I30 HydrophobicContact CB-CD1 4.14Å; M17-I30 HydrophobicContact CB-CG2 3.79Å; M17-I30 HydrophobicContact CE-CD1 3.65Å; M17-I30 HydrophobicContact CG-CD1 4.41Å; M17-I30 HydrophobicContact CG-CG2 4.2Å; E21-I30 HydrophobicContact CG-CD1 4.4Å; E21-I30 WeakPolarHBondContact OE1-CG1 3.35Å; E21-I30 PolarHBondContact OE1-N 3.17Å; I30-F35 HydrophobicContact CG2-CE2 3.5Å; I30-F35 VanDerWaalsContact CG2-CE2 3.5Å; I30-F35 HydrophobicContact CG2-CZ 3.91Å
31T96.9Very high96.1Very high51 Ų5191 Ų9131%0.31347%0.469SS..  trans-118.7171.1178.563.40000111.2Q29 M33 H34Q29-T31 PolarHBondContact O-N 3.5Å; T31-M33 PolarHBondContact O-N 3.4Å; T31-M33 VanDerWaalsContact O-N 3.13Å; T31-H34 PolarHBondContact N-ND1 3.35Å; T31-H34 VanDerWaalsContact N-ND1 3.18Å; T31-H34 WeakPolarHBondContact O-CB 3.36Å; T31-H34 PolarHBondContact O-N 2.87Å; T31-H34 PolarHBondContact O-ND1 3.09Å; T31-H34 PolarHBondContact OG1-ND1 3.43Å
32D96.4Very high96.1Very high81 Ų8191.7 Ų91.743%0.43348%0.475SS..G310 helixtrans-57.1-27.8176.9-58.7-76.4000112.8A14 H34 F35A14-D32 HydrophobicContact CB-CB 4.44Å; A14-D32 WeakPolarHBondContact CB-OD1 3.33Å; D32-H34 PolarHBondContact O-N 3.36Å; D32-H34 VanDerWaalsContact O-N 3.1Å; D32-F35 PolarHBondContact O-N 3.25Å
33M96.5Very high96Very high121 Ų12183.5 Ų83.560%0.59645%0.445SS*.G310 helixtrans-65-14.5176.4-56-175.3-71.600114T31 F35 R45 P48T31-M33 PolarHBondContact O-N 3.4Å; T31-M33 VanDerWaalsContact O-N 3.13Å; M33-F35 VanDerWaalsContact C-N 3.3Å; M33-R45 WeakPolarHBondContact O-CD 3.46Å; M33-P48 HydrophobicContact CB-CB 3.82Å; M33-P48 HydrophobicContact CB-CG 4.17Å; M33-P48 HydrophobicContact CE-CG 4.34Å; M33-P48 HydrophobicContact SD-CB 4.48Å
34H97.3Very high96Very high32 Ų3280.8 Ų80.815%0.14844%0.439CS..G310 helixtrans-85.2-3.1176.3-64.783.2000112.9Q29 T31 D32 P44 R45 P48Q29-H34 PolarHBondContact O-CE1 3.27Å; T31-H34 PolarHBondContact N-ND1 3.35Å; T31-H34 VanDerWaalsContact N-ND1 3.18Å; T31-H34 WeakPolarHBondContact O-CB 3.36Å; T31-H34 PolarHBondContact O-N 2.87Å; T31-H34 PolarHBondContact O-ND1 3.09Å; T31-H34 PolarHBondContact OG1-ND1 3.43Å; D32-H34 PolarHBondContact O-N 3.36Å; D32-H34 VanDerWaalsContact O-N 3.1Å; H34-P44 CarbonylContact O-C 2.99Å; H34-P44 WeakPolarHBondContact O-CA 3.41Å; H34-R45 PolarHBondContact O-N 3.03Å; H34-P48 WeakPolarHBondContact NE2-CD 3.21Å
35F97.4Very high95.9Very high36 Ų3680 Ų8016%0.15843%0.429CS..EExtended strand (participates in β ladder)trans-126.3123.5-179.7-59.6-81.9000110.5P13 A14 M17 I30 D32 M33 P42 P44P13-F35 HydrophobicContact CB-CD1 3.74Å; P13-F35 HydrophobicContact CB-CD2 3.91Å; P13-F35 HydrophobicContact CB-CE1 3.73Å; P13-F35 HydrophobicContact CB-CE2 3.89Å; P13-F35 HydrophobicContact CB-CG 3.83Å; P13-F35 HydrophobicContact CB-CZ 3.81Å; P13-F35 HydrophobicContact CG-CB 3.81Å; P13-F35 HydrophobicContact CG-CD1 3.79Å; P13-F35 HydrophobicContact CG-CD2 3.73Å; P13-F35 HydrophobicContact CG-CE1 4.29Å; P13-F35 HydrophobicContact CG-CE2 4.23Å; P13-F35 HydrophobicContact CG-CG 3.48Å; P13-F35 VanDerWaalsContact CG-CG 3.48Å; P13-F35 HydrophobicContact CG-CZ 4.5Å; A14-F35 HydrophobicContact CB-CD2 4.24Å; A14-F35 HydrophobicContact CB-CE2 4.17Å; M17-F35 HydrophobicContact CG-CZ 3.99Å; I30-F35 HydrophobicContact CG2-CE2 3.5Å; I30-F35 VanDerWaalsContact CG2-CE2 3.5Å; I30-F35 HydrophobicContact CG2-CZ 3.91Å; D32-F35 PolarHBondContact O-N 3.25Å; M33-F35 VanDerWaalsContact C-N 3.3Å; F35-P42 HydrophobicContact CB-CB 4.35Å; F35-P42 HydrophobicContact CD1-CB 4.4Å; F35-P44 HydrophobicContact CD1-CB 4.38Å; F35-P44 HydrophobicContact CE1-CB 4.28Å
36D95.9Very high95.6Very high34 Ų3480.3 Ų80.318%0.18243%0.428CS..EExtended strand (participates in β ladder)trans-84.9114.1167.3-178.1-6.9000109.2S38 P42 C43 S52D36-S38 VanDerWaalsContact OD1-CB 3.31Å; D36-S38 WeakPolarHBondContact OD1-CB 3.31Å; D36-S38 PolarHBondContact OD1-N 3.49Å; D36-S38 PolarHBondContact OD1-OG 3.41Å; D36-P42 CarbonylContact O-C 3.58Å; D36-P42 WeakPolarHBondContact O-CA 3.31Å; D36-C43 HydrophobicContact CB-CB 4.34Å; D36-C43 PolarHBondContact N-O 2.65Å; D36-C43 PolarHBondContact O-N 3.26Å; D36-S52 PolarHBondContact OD2-OG 3.44Å
37Q93.6Very high95.4Very high103 Ų10380.1 Ų80.148%0.48143%0.427SS..  trans-102.615.5-177.3-59.1-172.1-61.900113.1T11 G39 P42T11-Q37 PolarHBondContact O-NE2 3.47Å; Q37-G39 VanDerWaalsContact C-N 3.28Å; Q37-G39 PolarHBondContact O-N 2.98Å; Q37-P42 HydrophobicContact CG-CB 4.38Å
38S91.9Very high95.1Very high107 Ų10778.1 Ų78.175%0.74841%0.414SS*.SBendtrans-70.4-22.8179.859.40000113.9D36D36-S38 VanDerWaalsContact OD1-CB 3.31Å; D36-S38 WeakPolarHBondContact OD1-CB 3.31Å; D36-S38 PolarHBondContact OD1-N 3.49Å; D36-S38 PolarHBondContact OD1-OG 3.41Å
39G90.3Very high94.9Very high44 Ų4478.3 Ų78.345%0.45442%0.417SS..SBendtrans-91.5180176.400000113.8Q37 F41Q37-G39 VanDerWaalsContact C-N 3.28Å; Q37-G39 PolarHBondContact O-N 2.98Å; G39-F41 PolarHBondContact O-N 2.69Å
40Q91.1Very high94.9Very high165 Ų16576.9 Ų76.977%0.77141%0.412SS*.SBendtrans-62.6-29.1175-174.9175.835.900113.1
41F96.5Very high94.8Very high89 Ų8983.9 Ų83.939%0.3944%0.44SS..SBendtrans-126.3145177.4-64.9-82.2000109.4V10 G39 C43V10-F41 HydrophobicContact CG1-CD1 4.11Å; V10-F41 HydrophobicContact CG1-CE1 4.46Å; V10-F41 HydrophobicContact CG2-CD1 4.24Å; V10-F41 HydrophobicContact CG2-CE1 4.43Å; G39-F41 PolarHBondContact O-N 2.69Å; F41-C43 PolarHBondContact O-N 3Å
42P96.9Very high94.8Very high26 Ų2682.7 Ų82.717%0.16944%0.435CS..  trans-64.8133.1177.526.9-34.2000110.8V10 P13 F35 D36 Q37V10-P42 WeakPolarHBondContact O-CD 3.3Å; P13-P42 HydrophobicContact CB-CG 4.45Å; P13-P42 HydrophobicContact CG-CB 3.89Å; P13-P42 HydrophobicContact CG-CG 4.12Å; F35-P42 HydrophobicContact CB-CB 4.35Å; F35-P42 HydrophobicContact CD1-CB 4.4Å; D36-P42 CarbonylContact O-C 3.58Å; D36-P42 WeakPolarHBondContact O-CA 3.31Å; Q37-P42 HydrophobicContact CG-CB 4.38Å
43C97.5Very high94.7Very high12 Ų1285.8 Ų85.88%0.08145%0.446CS..EExtended strand (participates in β ladder)trans-105120.5176-59.80000110.4D36 F41 C54D36-C43 HydrophobicContact CB-CB 4.34Å; D36-C43 PolarHBondContact N-O 2.65Å; D36-C43 PolarHBondContact O-N 3.26Å; F41-C43 PolarHBondContact O-N 3Å; C43-C54 HydrophobicContact CB-CB 3.91Å; C43-C54 WeakPolarHBondContact CB-SG 3.5Å; C43-C54 VanDerWaalsContact SG-CA 3.51Å; C43-C54 WeakPolarHBondContact SG-CB 3.49Å; C43-C54 CovalentContact SG-SG 2.03Å; C43-C54 PolarHBondContact SG-SG 3.49Å
44P96.6Very high94.7Very high53 Ų5383.1 Ų83.134%0.34444%0.438SS..EExtended strand (participates in β ladder)trans-69.6149.7-178.228.4-35.7000112.4H34 F35 S52 H53H34-P44 CarbonylContact O-C 2.99Å; H34-P44 WeakPolarHBondContact O-CA 3.41Å; F35-P44 HydrophobicContact CD1-CB 4.38Å; F35-P44 HydrophobicContact CE1-CB 4.28Å; P44-S52 WeakPolarHBondContact O-CA 3.45Å; P44-H53 VanDerWaalsContact CD-O 3.3Å; P44-H53 WeakPolarHBondContact CD-O 3.19Å; P44-H53 WeakPolarHBondContact CG-O 3.42Å; P44-H53 PolarHBondContact O-N 3.12Å
45R96.2Very high94.6Very high82 Ų8287.3 Ų87.331%0.30946%0.462SS..  trans-114.5140.3169.5-57.3175.8178.9-162.90.4108.3M33 H34 L47 P48 M50M33-R45 WeakPolarHBondContact O-CD 3.46Å; H34-R45 PolarHBondContact O-N 3.03Å; R45-L47 VanDerWaalsContact C-N 3.32Å; R45-L47 VanDerWaalsContact CB-O 3.31Å; R45-L47 WeakPolarHBondContact CB-O 3.45Å; R45-P48 PolarHBondContact NH1-O 2.95Å; R45-M50 WeakPolarHBondContact CD-O 3.39Å
46K92.9Very high94.5Very high187 Ų18787.9 Ų87.981%0.81348%0.478SS*.SBendtrans-66.9-37175.7-173.2177.5179.6-178.80112
47L94Very high94.3Very high94 Ų9492.1 Ų92.149%0.49251%0.51SS..SBendtrans-135.2153.1172.8-64.2170.7000108R45 S49 M50R45-L47 VanDerWaalsContact C-N 3.32Å; R45-L47 VanDerWaalsContact CB-O 3.31Å; R45-L47 WeakPolarHBondContact CB-O 3.45Å; L47-S49 PolarHBondContact O-N 3.32Å; L47-S49 VanDerWaalsContact O-N 3.08Å; L47-M50 HydrophobicContact CB-CB 4.35Å; L47-M50 HydrophobicContact CB-CG 3.82Å; L47-M50 HydrophobicContact CD1-CG 4.21Å; L47-M50 HydrophobicContact CG-CG 4.35Å; L47-M50 PolarHBondContact O-N 3.36Å
48P91.2Very high94.4Very high42 Ų4291 Ų9127%0.27351%0.513SS..THydrogen-bonded Turntrans-51.1-35.6178.5-32.540.2000114.6M33 H34 R45M33-P48 HydrophobicContact CB-CB 3.82Å; M33-P48 HydrophobicContact CB-CG 4.17Å; M33-P48 HydrophobicContact CE-CG 4.34Å; M33-P48 HydrophobicContact SD-CB 4.48Å; H34-P48 WeakPolarHBondContact NE2-CD 3.21Å; R45-P48 PolarHBondContact NH1-O 2.95Å
49S92.2Very high94.6Very high108 Ų10892.4 Ų92.476%0.75551%0.506SS*.THydrogen-bonded Turntrans-83.1-11.2-178.755.60000114.9L47L47-S49 PolarHBondContact O-N 3.32Å; L47-S49 VanDerWaalsContact O-N 3.08Å
50M94.7Very high94.7Very high103 Ų10392 Ų9251%0.50750%0.502SS..SBendtrans-88.6156.2-175.8-71.3-73.9-72.900111.4R45 L47R45-M50 WeakPolarHBondContact CD-O 3.39Å; L47-M50 HydrophobicContact CB-CB 4.35Å; L47-M50 HydrophobicContact CB-CG 3.82Å; L47-M50 HydrophobicContact CD1-CG 4.21Å; L47-M50 HydrophobicContact CG-CG 4.35Å; L47-M50 PolarHBondContact O-N 3.36Å
51K95.5Very high95Very high191 Ų19193 Ų9383%0.8350%0.499SS*.PPolyproline II helixtrans-58.8142171.7-170.7177.3177.61790110.5
52S96.3Very high94.9Very high27 Ų27100.5 Ų100.519%0.18952%0.524CS..PPolyproline II helixtrans-66.7144.3173.250.10000111.5D36 P44D36-S52 PolarHBondContact OD2-OG 3.44Å; P44-S52 WeakPolarHBondContact O-CA 3.45Å
53H95.1Very high94.8Very high145 Ų145107.2 Ų107.267%0.67155%0.553SS**  trans-119.499.1172.4178.3-74.4000108.6P44P44-H53 VanDerWaalsContact CD-O 3.3Å; P44-H53 WeakPolarHBondContact CD-O 3.19Å; P44-H53 WeakPolarHBondContact CG-O 3.42Å; P44-H53 PolarHBondContact O-N 3.12Å
54C96.3Very high94.8Very high65 Ų65111.6 Ų111.644%0.43958%0.582SS.*PPolyproline II helixtrans-67.2155.1177.8-59.80000111.8C43C43-C54 HydrophobicContact CB-CB 3.91Å; C43-C54 WeakPolarHBondContact CB-SG 3.5Å; C43-C54 VanDerWaalsContact SG-CA 3.51Å; C43-C54 WeakPolarHBondContact SG-CB 3.49Å; C43-C54 CovalentContact SG-SG 2.03Å; C43-C54 PolarHBondContact SG-SG 3.49Å
55L95.5Very high94.9Very high121 Ų121114.3 Ų114.363%0.63461%0.608SS**PPolyproline II helixtrans-64147.3170.3-59.6178.5000110K59L55-K59 HydrophobicContact CB-CB 3.78Å; L55-K59 HydrophobicContact CB-CG 3.93Å; L55-K59 HydrophobicContact CD1-CB 4.19Å; L55-K59 HydrophobicContact CD1-CG 4.26Å
56G94.2Very high94.9Very high48 Ų48113.8 Ų113.850%0.49561%0.614SS.*PPolyproline II helixtrans-63.7170-177.300000114S58 K59G56-S58 PolarHBondContact O-N 3.45Å; G56-K59 PolarHBondContact O-N 3.42Å
57S92.4Very high95.1Very high122 Ų122107.8 Ų107.885%0.85360%0.599SS**THydrogen-bonded Turntrans-58-16.5-173570000115.9K59S57-K59 VanDerWaalsContact C-N 3.28Å; S57-K59 PolarHBondContact O-N 3.01Å
58S94.7Very high95.3Very high80 Ų80107.1 Ų107.156%0.55961%0.608SS**THydrogen-bonded Turntrans-77.6-10.817563.80000113.9G56 R61G56-S58 PolarHBondContact O-N 3.45Å; S58-R61 PolarHBondContact O-NE 3.25Å
59K95.8Very high95.6Very high136 Ų136110.8 Ų110.859%0.59163%0.625SS**SBendtrans-105.9141.8178.6-56.4-60.6-176176.30110.3L55 G56 S57L55-K59 HydrophobicContact CB-CB 3.78Å; L55-K59 HydrophobicContact CB-CG 3.93Å; L55-K59 HydrophobicContact CD1-CB 4.19Å; L55-K59 HydrophobicContact CD1-CG 4.26Å; G56-K59 PolarHBondContact O-N 3.42Å; S57-K59 VanDerWaalsContact C-N 3.28Å; S57-K59 PolarHBondContact O-N 3.01Å
60G93.8Very high95.9Very high36 Ų36107.5 Ų107.537%0.37160%0.604SS.*SBendtrans7426.7179.900000114.9
61R96.1Very high96Very high187 Ų187107.1 Ų107.171%0.70660%0.604SS**PPolyproline II helixtrans-63.7141.7179.1-67-177.8-74.6148.20.9111.1S58 H63S58-R61 PolarHBondContact O-NE 3.25Å; R61-H63 PolarHBondContact O-CD2 3.16Å; R61-H63 PolarHBondContact O-N 3.47Å
62R95.2Very high96Very high245 Ų245102.1 Ų102.193%0.92559%0.586SS**PPolyproline II helixtrans-60.8126.3174.1-175173.3-178.7160.10.7110.1
63H95.7Very high96.1Very high167 Ų167103.4 Ų103.477%0.77360%0.599SS**PPolyproline II helixtrans-71.2146.5172.7-65.1178.2000110.3R61R61-H63 PolarHBondContact O-CD2 3.16Å; R61-H63 PolarHBondContact O-N 3.47Å
64P97.1Very high96.2Very high105 Ų105100.7 Ų100.768%0.68259%0.588SS**PPolyproline II helixtrans-65.3160.7172.130.5-35.6000110.7V66P64-V66 PolarHBondContact O-N 2.75Å
65A97.2Very high96.2Very high110 Ų11099.6 Ų99.691%0.90958%0.584SS**PPolyproline II helixtrans-67.4129.6166.400000108.9
66V96.9Very high96.3Very high71 Ų7199.7 Ų99.743%0.4358%0.581SS.*  trans-117.1138.1176.9-177.50000107.5P64 A70 L71P64-V66 PolarHBondContact O-N 2.75Å; V66-A70 HydrophobicContact CG1-CB 3.93Å; V66-L71 HydrophobicContact CB-CD1 4.35Å; V66-L71 HydrophobicContact CB-CD2 4Å; V66-L71 HydrophobicContact CB-CG 3.96Å; V66-L71 HydrophobicContact CG1-CD2 3.97Å; V66-L71 HydrophobicContact CG1-CG 3.87Å
67A98.1Very high96.4Very high61 Ų61103.2 Ų103.250%0.50458%0.583SS.*  trans-60.2142.1178.500000110.9D69 A70 L71A67-D69 VanDerWaalsContact C-N 3.27Å; A67-D69 WeakPolarHBondContact CB-OD1 3.39Å; A67-D69 PolarHBondContact O-N 3.32Å; A67-A70 WeakPolarHBondContact O-CB 3.37Å; A67-A70 PolarHBondContact O-N 3.11Å; A67-A70 VanDerWaalsContact O-N 3.14Å; A67-L71 PolarHBondContact O-N 2.78Å
68A97.6Very high96.7Very high80 Ų80102.9 Ų102.966%0.66156%0.564SS**Hα-helixtrans-64.3-32.9-171.800000112.7L71 N72A68-L71 PolarHBondContact O-N 3.48Å; A68-N72 WeakPolarHBondContact O-CB 3.25Å; A68-N72 PolarHBondContact O-N 2.91Å
69D98Very high96.8Very high118 Ų118104.9 Ų104.963%0.63156%0.562SS**Hα-helixtrans-62.8-43.7173.361.1-23.3000111.9A67 N72 A73A67-D69 VanDerWaalsContact C-N 3.27Å; A67-D69 WeakPolarHBondContact CB-OD1 3.39Å; A67-D69 PolarHBondContact O-N 3.32Å; D69-N72 PolarHBondContact O-N 3.37Å; D69-A73 WeakPolarHBondContact O-CB 3.33Å; D69-A73 PolarHBondContact O-N 3.19Å
70A97.9Very high96.9Very high40 Ų40102.3 Ų102.333%0.33156%0.56SS.*Hα-helixtrans-65.9-42.3175.900000111.8V66 A67 A73 L74V66-A70 HydrophobicContact CG1-CB 3.93Å; A67-A70 WeakPolarHBondContact O-CB 3.37Å; A67-A70 PolarHBondContact O-N 3.11Å; A67-A70 VanDerWaalsContact O-N 3.14Å; A70-A73 PolarHBondContact O-N 3.5Å; A70-L74 VanDerWaalsContact O-CG 3.31Å; A70-L74 WeakPolarHBondContact O-CG 3.5Å; A70-L74 PolarHBondContact O-N 3.26Å
71L96.7Very high97Very high95 Ų95105.5 Ų105.550%0.49757%0.565SS.*Hα-helixtrans-61.4-43.5173.9-72.1175.3000111.7V66 A67 A68 L74 A75V66-L71 HydrophobicContact CB-CD1 4.35Å; V66-L71 HydrophobicContact CB-CD2 4Å; V66-L71 HydrophobicContact CB-CG 3.96Å; V66-L71 HydrophobicContact CG1-CD2 3.97Å; V66-L71 HydrophobicContact CG1-CG 3.87Å; A67-L71 PolarHBondContact O-N 2.78Å; A68-L71 PolarHBondContact O-N 3.48Å; L71-L74 PolarHBondContact O-N 3.47Å; L71-A75 WeakPolarHBondContact O-CB 3.41Å; L71-A75 PolarHBondContact O-N 2.83Å
72N96.6Very high97.1Very high86 Ų8697.7 Ų97.746%0.4654%0.537SS..Hα-helixtrans-65.1-42.3176.4176.662.3000111.9A68 D69 L74 A75 Q76A68-N72 WeakPolarHBondContact O-CB 3.25Å; A68-N72 PolarHBondContact O-N 2.91Å; D69-N72 PolarHBondContact O-N 3.37Å; N72-L74 VanDerWaalsContact C-N 3.33Å; N72-L74 PolarHBondContact O-N 3.44Å; N72-A75 PolarHBondContact O-N 3.31Å; N72-Q76 PolarHBondContact ND2-NE2 3.27Å; N72-Q76 WeakPolarHBondContact O-CB 3.14Å; N72-Q76 VanDerWaalsContact O-CG 3.3Å; N72-Q76 WeakPolarHBondContact O-CG 3.49Å; N72-Q76 PolarHBondContact O-N 3.31Å; N72-Q76 PolarHBondContact OD1-NE2 3.31Å
73A97.7Very high97.1Very high54 Ų5488.4 Ų88.445%0.44651%0.507SS..Hα-helixtrans-59.8-43175.400000111.7D69 A70 Q76 F77D69-A73 WeakPolarHBondContact O-CB 3.33Å; D69-A73 PolarHBondContact O-N 3.19Å; A70-A73 PolarHBondContact O-N 3.5Å; A73-Q76 PolarHBondContact O-N 3.18Å; A73-F77 VanDerWaalsContact O-CB 3.27Å; A73-F77 WeakPolarHBondContact O-CB 3.35Å; A73-F77 PolarHBondContact O-N 3.39Å
74L97.5Very high97.2Very high88 Ų8888.7 Ų88.746%0.46150%0.502SS..Hα-helixtrans-63-45.6174.5-71.7168.1000111.9A70 L71 N72 Q76 F77 Y78A70-L74 VanDerWaalsContact O-CG 3.31Å; A70-L74 WeakPolarHBondContact O-CG 3.5Å; A70-L74 PolarHBondContact O-N 3.26Å; L71-L74 PolarHBondContact O-N 3.47Å; N72-L74 VanDerWaalsContact C-N 3.33Å; N72-L74 PolarHBondContact O-N 3.44Å; L74-Q76 PolarHBondContact O-N 3.32Å; L74-F77 PolarHBondContact O-N 2.81Å; L74-Y78 HydrophobicContact CD2-CE2 4.2Å; L74-Y78 WeakPolarHBondContact O-CD2 3.25Å; L74-Y78 PolarHBondContact O-N 3.33Å
75A96.1Very high97.2Very high41 Ų4186.5 Ų86.534%0.33948%0.481SS..Hα-helixtrans-60.4-44.9177.800000111.7L71 N72 Y78 K79L71-A75 WeakPolarHBondContact O-CB 3.41Å; L71-A75 PolarHBondContact O-N 2.83Å; N72-A75 PolarHBondContact O-N 3.31Å; A75-Y78 PolarHBondContact O-N 2.75Å; A75-K79 WeakPolarHBondContact O-CB 3.37Å; A75-K79 PolarHBondContact O-N 3.34Å
76Q96.7Very high97.1Very high124 Ų12482.1 Ų82.158%0.57944%0.442SS*.Hα-helixtrans-63.6-42.7176.2-70.7-178.87.300112.2N72 A73 L74 K79 P80N72-Q76 PolarHBondContact ND2-NE2 3.27Å; N72-Q76 WeakPolarHBondContact O-CB 3.14Å; N72-Q76 VanDerWaalsContact O-CG 3.3Å; N72-Q76 WeakPolarHBondContact O-CG 3.49Å; N72-Q76 PolarHBondContact O-N 3.31Å; N72-Q76 PolarHBondContact OD1-NE2 3.31Å; A73-Q76 PolarHBondContact O-N 3.18Å; L74-Q76 PolarHBondContact O-N 3.32Å; Q76-K79 PolarHBondContact O-N 2.91Å; Q76-P80 WeakPolarHBondContact O-CD 3.49Å
77F97.8Very high97.1Very high121 Ų12188.6 Ų88.653%0.53146%0.459SS..Hα-helixtrans-59.8-48.9176.8172.8-97.9000112A73 L74 P80 H81A73-F77 VanDerWaalsContact O-CB 3.27Å; A73-F77 WeakPolarHBondContact O-CB 3.35Å; A73-F77 PolarHBondContact O-N 3.39Å; L74-F77 PolarHBondContact O-N 2.81Å; F77-P80 WeakPolarHBondContact O-CD 3.33Å; F77-H81 PolarHBondContact O-CD2 2.94Å; F77-H81 VanDerWaalsContact O-CD2 3.3Å
78Y97.7Very high97Very high116 Ų11692.2 Ų92.246%0.45547%0.467SS..Hα-helixtrans-77-21.4-176.9-75.5-66.9000114L74 A75 H81 N82L74-Y78 HydrophobicContact CD2-CE2 4.2Å; L74-Y78 WeakPolarHBondContact O-CD2 3.25Å; L74-Y78 PolarHBondContact O-N 3.33Å; A75-Y78 PolarHBondContact O-N 2.75Å; Y78-H81 CarbonylContact O-C 3.53Å; Y78-H81 WeakPolarHBondContact O-CA 3.48Å; Y78-H81 WeakPolarHBondContact O-CB 3.34Å; Y78-H81 PolarHBondContact O-N 3.26Å; Y78-N82 VanDerWaalsContact O-CG 3.31Å; Y78-N82 PolarHBondContact O-N 2.89Å
79K96.7Very high96.9Very high122 Ų12289.4 Ų89.453%0.5344%0.441SS..Hα-helixtrans-47.2-54-178-172.3176.1-175.8175.30114.7A75 Q76 H81 N82 V83 L97A75-K79 WeakPolarHBondContact O-CB 3.37Å; A75-K79 PolarHBondContact O-N 3.34Å; Q76-K79 PolarHBondContact O-N 2.91Å; K79-H81 VanDerWaalsContact C-N 3.31Å; K79-H81 PolarHBondContact O-N 3.22Å; K79-N82 PolarHBondContact O-N 3.05Å; K79-V83 WeakPolarHBondContact O-CG2 3.39Å; K79-V83 PolarHBondContact O-N 3.43Å; K79-L97 HydrophobicContact CG-CD2 4.22Å
80P97Very high96.7Very high82 Ų8287 Ų8753%0.53244%0.444SS..Hα-helixtrans-63.3-35.7178.324.6-35.2000112.9Q76 F77 R84Q76-P80 WeakPolarHBondContact O-CD 3.49Å; F77-P80 WeakPolarHBondContact O-CD 3.33Å; P80-R84 WeakPolarHBondContact O-CB 3.34Å; P80-R84 PolarHBondContact O-N 3.07Å
81H97.4Very high96.3Very high102 Ų10288.8 Ų88.847%0.47245%0.446SS..Hα-helixtrans-67.4-43.7177-60.5-69.7000111.6F77 Y78 K79 R84 F85F77-H81 PolarHBondContact O-CD2 2.94Å; F77-H81 VanDerWaalsContact O-CD2 3.3Å; Y78-H81 CarbonylContact O-C 3.53Å; Y78-H81 WeakPolarHBondContact O-CA 3.48Å; Y78-H81 WeakPolarHBondContact O-CB 3.34Å; Y78-H81 PolarHBondContact O-N 3.26Å; K79-H81 VanDerWaalsContact C-N 3.31Å; K79-H81 PolarHBondContact O-N 3.22Å; H81-R84 PolarHBondContact O-N 3.23Å; H81-F85 WeakPolarHBondContact O-CB 3.37Å; H81-F85 PolarHBondContact O-N 3.38Å
82N97.1Very high95.9Very high23 Ų2389.1 Ų89.112%0.12345%0.448CS..Hα-helixtrans-62.6-46.3177-69.1-10.5000111.1Y78 K79 R84 F85 F86 W96 L97Y78-N82 VanDerWaalsContact O-CG 3.31Å; Y78-N82 PolarHBondContact O-N 2.89Å; K79-N82 PolarHBondContact O-N 3.05Å; N82-R84 VanDerWaalsContact C-N 3.35Å; N82-R84 PolarHBondContact O-N 2.99Å; N82-F85 WeakPolarHBondContact O-CB 3.33Å; N82-F85 PolarHBondContact O-N 3.44Å; N82-F86 HydrophobicContact CB-CE1 4.41Å; N82-F86 HydrophobicContact CB-CE2 4.33Å; N82-F86 HydrophobicContact CB-CZ 3.99Å; N82-F86 WeakPolarHBondContact O-CD1 3.48Å; N82-F86 WeakPolarHBondContact O-CD2 3.38Å; N82-F86 WeakPolarHBondContact O-CG 3.38Å; N82-F86 PolarHBondContact O-N 3.07Å; N82-W96 PolarHBondContact ND2-O 2.91Å; N82-L97 HydrophobicContact CB-CD2 3.94Å
83V96.1Very high95.7Very high50 Ų5085.7 Ų85.730%0.30343%0.429SS..Hα-helixtrans-60.7-43.2176.2172.30000111.4K79 F86 R87 L97K79-V83 WeakPolarHBondContact O-CG2 3.39Å; K79-V83 PolarHBondContact O-N 3.43Å; V83-F86 PolarHBondContact O-N 2.83Å; V83-R87 WeakPolarHBondContact O-CG 3.03Å; V83-R87 PolarHBondContact O-N 3.5Å; V83-R87 VanDerWaalsContact O-N 3.17Å; V83-L97 HydrophobicContact CG2-CD1 4.48Å; V83-L97 HydrophobicContact CG2-CD2 4.14Å
84R96.8Very high94.9Very high174 Ų17487 Ų8766%0.65743%0.432SS*.Hα-helixtrans-61.8-44.9175.1-178.3178.9176.3-179.60.5111.3P80 H81 N82 F86 R87 M88P80-R84 WeakPolarHBondContact O-CB 3.34Å; P80-R84 PolarHBondContact O-N 3.07Å; H81-R84 PolarHBondContact O-N 3.23Å; N82-R84 VanDerWaalsContact C-N 3.35Å; N82-R84 PolarHBondContact O-N 2.99Å; R84-F86 PolarHBondContact O-N 2.85Å; R84-R87 PolarHBondContact O-N 2.94Å; R84-M88 HydrophobicContact CG-CG 4.44Å; R84-M88 HydrophobicContact CG-SD 3.95Å; R84-M88 WeakPolarHBondContact O-CG 3.38Å; R84-M88 PolarHBondContact O-N 3.07Å
85F97.1Very high94.5Very high58 Ų5884.8 Ų84.825%0.25442%0.424SS..Hα-helixtrans-60.9-42.1178179.8-108.1000112.1F3 H81 N82 R87 M88 T89 F93 W96F3-F85 AromaticContact CD1-CE2 4Å; F3-F85 HydrophobicContact CD1-CE2 4Å; F3-F85 AromaticContact CD1-CZ 3.56Å; F3-F85 HydrophobicContact CD1-CZ 3.56Å; F3-F85 AromaticContact CE1-CE2 3.73Å; F3-F85 HydrophobicContact CE1-CE2 3.73Å; F3-F85 AromaticContact CE1-CZ 3.82Å; F3-F85 HydrophobicContact CE1-CZ 3.82Å; F3-F85 HydrophobicContact CG-CZ 4.14Å; F3-F85 HydrophobicContact CZ-CE2 4.32Å; H81-F85 WeakPolarHBondContact O-CB 3.37Å; H81-F85 PolarHBondContact O-N 3.38Å; N82-F85 WeakPolarHBondContact O-CB 3.33Å; N82-F85 PolarHBondContact O-N 3.44Å; F85-R87 VanDerWaalsContact C-N 3.31Å; F85-R87 PolarHBondContact O-N 3.43Å; F85-M88 PolarHBondContact O-N 3.18Å; F85-T89 HydrophobicContact CD1-CG2 4.42Å; F85-T89 HydrophobicContact CD2-CG2 3.82Å; F85-T89 HydrophobicContact CE1-CG2 4.08Å; F85-T89 HydrophobicContact CE2-CG2 3.43Å; F85-T89 VanDerWaalsContact CE2-CG2 3.43Å; F85-T89 HydrophobicContact CG-CG2 4.3Å; F85-T89 HydrophobicContact CZ-CG2 3.58Å; F85-T89 WeakPolarHBondContact O-CB 3.37Å; F85-T89 WeakPolarHBondContact O-CG2 3.45Å; F85-T89 PolarHBondContact O-N 3.36Å; F85-T89 PolarHBondContact O-OG1 3.31Å; F85-F93 HydrophobicContact CD1-CD2 4.47Å; F85-F93 HydrophobicContact CE1-CD2 4.03Å; F85-F93 AromaticContact CE1-CE2 3.75Å; F85-F93 HydrophobicContact CE1-CE2 3.75Å; F85-W96 HydrophobicContact CD1-CZ3 4.12Å; F85-W96 HydrophobicContact CE1-CH2 4.38Å; F85-W96 HydrophobicContact CE1-CZ3 4.09Å
86F95.9Very high94.4Very high19 Ų1987.1 Ų87.18%0.08342%0.424CS..Hα-helixtrans-63.9-38177.8-57.3-16.6000112.1N82 V83 R84 G90 H91 N92 F93 W96 L97N82-F86 HydrophobicContact CB-CE1 4.41Å; N82-F86 HydrophobicContact CB-CE2 4.33Å; N82-F86 HydrophobicContact CB-CZ 3.99Å; N82-F86 WeakPolarHBondContact O-CD1 3.48Å; N82-F86 WeakPolarHBondContact O-CD2 3.38Å; N82-F86 WeakPolarHBondContact O-CG 3.38Å; N82-F86 PolarHBondContact O-N 3.07Å; V83-F86 PolarHBondContact O-N 2.83Å; R84-F86 PolarHBondContact O-N 2.85Å; F86-G90 WeakPolarHBondContact O-CA 3.31Å; F86-G90 PolarHBondContact O-N 2.93Å; F86-H91 WeakPolarHBondContact CA-O 3.03Å; F86-H91 WeakPolarHBondContact CD1-O 3.48Å; F86-H91 PolarHBondContact O-N 2.99Å; F86-N92 WeakPolarHBondContact CD2-OD1 3.3Å; F86-N92 WeakPolarHBondContact CE2-OD1 3.49Å; F86-F93 HydrophobicContact CD1-CB 4.49Å; F86-F93 AromaticContact CD1-CD2 3.87Å; F86-F93 HydrophobicContact CD1-CD2 3.87Å; F86-F93 HydrophobicContact CE1-CB 3.63Å; F86-F93 AromaticContact CE1-CD2 3.69Å; F86-F93 HydrophobicContact CE1-CD2 3.69Å; F86-F93 HydrophobicContact CE1-CG 4.13Å; F86-F93 HydrophobicContact CZ-CB 3.87Å; F86-F93 WeakPolarHBondContact CZ-O 3.48Å; F86-W96 AromaticContact CE1-CE3 3.84Å; F86-W96 HydrophobicContact CE1-CE3 3.84Å; F86-W96 HydrophobicContact CE1-CZ3 4.29Å; F86-W96 HydrophobicContact CZ-CB 4.26Å; F86-W96 HydrophobicContact CZ-CD2 4.49Å; F86-W96 HydrophobicContact CZ-CE3 4.09Å; F86-L97 HydrophobicContact CD2-CD1 4.33Å; F86-L97 HydrophobicContact CE2-CD1 3.78Å; F86-L97 HydrophobicContact CE2-CD2 4.08Å; F86-L97 HydrophobicContact CE2-CG 3.78Å; F86-L97 HydrophobicContact CZ-CG 4.5Å
87R95.8Very high93.9Very high207 Ų20784.4 Ų84.478%0.78141%0.413SS*.Hα-helixtrans-64.9-43.9172.8-68.9176.6-176.8174.10.9112V83 R84 F85 T89V83-R87 WeakPolarHBondContact O-CG 3.03Å; V83-R87 PolarHBondContact O-N 3.5Å; V83-R87 VanDerWaalsContact O-N 3.17Å; R84-R87 PolarHBondContact O-N 2.94Å; F85-R87 VanDerWaalsContact C-N 3.31Å; F85-R87 PolarHBondContact O-N 3.43Å; R87-T89 PolarHBondContact O-N 3.06Å
88M97.1Very high92.9Very high136 Ų13690.8 Ų90.867%0.6743%0.433SS*.Hα-helixtrans-66.1-36.9-179.1-72.7174.561.200112.8R84 F85R84-M88 HydrophobicContact CG-CG 4.44Å; R84-M88 HydrophobicContact CG-SD 3.95Å; R84-M88 WeakPolarHBondContact O-CG 3.38Å; R84-M88 PolarHBondContact O-N 3.07Å; F85-M88 PolarHBondContact O-N 3.18Å
89T95.1Very high92.6Very high22 Ų2289.5 Ų89.514%0.13543%0.432CS..Hα-helixtrans-93.5-15.5-175.360.30000113.8F3 F85 R87 H91F3-T89 HydrophobicContact CD1-CG2 4.18Å; F3-T89 HydrophobicContact CD2-CG2 3.5Å; F3-T89 VanDerWaalsContact CD2-CG2 3.5Å; F3-T89 HydrophobicContact CE1-CG2 3.99Å; F3-T89 HydrophobicContact CE2-CG2 3.28Å; F3-T89 HydrophobicContact CG-CG2 3.94Å; F3-T89 HydrophobicContact CZ-CG2 3.54Å; F85-T89 HydrophobicContact CD1-CG2 4.42Å; F85-T89 HydrophobicContact CD2-CG2 3.82Å; F85-T89 HydrophobicContact CE1-CG2 4.08Å; F85-T89 HydrophobicContact CE2-CG2 3.43Å; F85-T89 VanDerWaalsContact CE2-CG2 3.43Å; F85-T89 HydrophobicContact CG-CG2 4.3Å; F85-T89 HydrophobicContact CZ-CG2 3.58Å; F85-T89 WeakPolarHBondContact O-CB 3.37Å; F85-T89 WeakPolarHBondContact O-CG2 3.45Å; F85-T89 PolarHBondContact O-N 3.36Å; F85-T89 PolarHBondContact O-OG1 3.31Å; R87-T89 PolarHBondContact O-N 3.06Å; T89-H91 PolarHBondContact O-CD2 3.1Å; T89-H91 VanDerWaalsContact O-CD2 3.27Å; T89-H91 PolarHBondContact O-N 3.13Å; T89-H91 PolarHBondContact OG1-N 3.37Å; T89-H91 PolarHBondContact OG1-O 2.85Å
90G93.5Very high92.4Very high67 Ų6787.8 Ų87.869%0.69143%0.427SS*.SBendtrans66.312.1-171.300000113.5F86F86-G90 WeakPolarHBondContact O-CA 3.31Å; F86-G90 PolarHBondContact O-N 2.93Å
91H90Very high92.2Very high77 Ų7788.1 Ų88.136%0.35642%0.421SS..  trans-122.8126.5-177.4-67.2-52.8000110.2F86 T89 F93F86-H91 WeakPolarHBondContact CA-O 3.03Å; F86-H91 WeakPolarHBondContact CD1-O 3.48Å; F86-H91 PolarHBondContact O-N 2.99Å; T89-H91 PolarHBondContact O-CD2 3.1Å; T89-H91 VanDerWaalsContact O-CD2 3.27Å; T89-H91 PolarHBondContact O-N 3.13Å; T89-H91 PolarHBondContact OG1-N 3.37Å; T89-H91 PolarHBondContact OG1-O 2.85Å; H91-F93 HydrophobicContact CB-CE2 3.8Å; H91-F93 HydrophobicContact CB-CZ 4.24Å
92N88.9Confident91.9Very high103 Ų10387.3 Ų87.355%0.55142%0.418SS*.  trans-95.9116.3179.2-166.9-9.5000110.6F86 T94F86-N92 WeakPolarHBondContact CD2-OD1 3.3Å; F86-N92 WeakPolarHBondContact CE2-OD1 3.49Å; N92-T94 VanDerWaalsContact C-N 3.31Å; N92-T94 PolarHBondContact ND2-OG1 2.85Å; N92-T94 PolarHBondContact O-N 2.65Å; N92-T94 VanDerWaalsContact OD1-CA 3.31Å; N92-T94 WeakPolarHBondContact OD1-CA 3.31Å; N92-T94 PolarHBondContact OD1-N 3.06Å; N92-T94 VanDerWaalsContact OD1-N 3.09Å; N92-T94 PolarHBondContact OD1-OG1 2.03Å
93F92.3Very high91.6Very high14 Ų1491.3 Ų91.36%0.06144%0.436CS..  trans-97.958.9171.7-56.4-99.5000108.5F3 F85 F86 H91 S95 W96F3-F93 HydrophobicContact CB-CZ 3.95Å; F85-F93 HydrophobicContact CD1-CD2 4.47Å; F85-F93 HydrophobicContact CE1-CD2 4.03Å; F85-F93 AromaticContact CE1-CE2 3.75Å; F85-F93 HydrophobicContact CE1-CE2 3.75Å; F86-F93 HydrophobicContact CD1-CB 4.49Å; F86-F93 AromaticContact CD1-CD2 3.87Å; F86-F93 HydrophobicContact CD1-CD2 3.87Å; F86-F93 HydrophobicContact CE1-CB 3.63Å; F86-F93 AromaticContact CE1-CD2 3.69Å; F86-F93 HydrophobicContact CE1-CD2 3.69Å; F86-F93 HydrophobicContact CE1-CG 4.13Å; F86-F93 HydrophobicContact CZ-CB 3.87Å; F86-F93 WeakPolarHBondContact CZ-O 3.48Å; H91-F93 HydrophobicContact CB-CE2 3.8Å; H91-F93 HydrophobicContact CB-CZ 4.24Å; F93-S95 PolarHBondContact O-N 3.01Å; F93-W96 HydrophobicContact CB-CD2 3.77Å; F93-W96 HydrophobicContact CB-CE3 4.11Å; F93-W96 HydrophobicContact CB-CG 4.17Å; F93-W96 HydrophobicContact CB-CZ2 4.21Å; F93-W96 HydrophobicContact CB-CZ3 4.47Å; F93-W96 HydrophobicContact CD1-CZ2 4.19Å; F93-W96 HydrophobicContact CG-CH2 4.34Å; F93-W96 HydrophobicContact CG-CZ2 4.23Å; F93-W96 WeakPolarHBondContact O-CB 3.33Å; F93-W96 PolarHBondContact O-N 2.85Å
94T81.2Confident91.2Very high82 Ų8294.1 Ų94.150%0.50345%0.445SS..G310 helixtrans-52.7-26.7-166.4-420000113.8N92 W96 L97N92-T94 VanDerWaalsContact C-N 3.31Å; N92-T94 PolarHBondContact ND2-OG1 2.85Å; N92-T94 PolarHBondContact O-N 2.65Å; N92-T94 VanDerWaalsContact OD1-CA 3.31Å; N92-T94 WeakPolarHBondContact OD1-CA 3.31Å; N92-T94 PolarHBondContact OD1-N 3.06Å; N92-T94 VanDerWaalsContact OD1-N 3.09Å; N92-T94 PolarHBondContact OD1-OG1 2.03Å; T94-W96 PolarHBondContact O-N 3.2Å; T94-W96 VanDerWaalsContact O-N 3.13Å; T94-L97 PolarHBondContact O-N 2.74Å; T94-L97 VanDerWaalsContact O-N 3.08Å
95S89.2Confident90.9Very high41 Ų4188.4 Ų88.429%0.28743%0.43SS..G310 helixtrans-56-24.2174.246.60000113.8F93 L97F93-S95 PolarHBondContact O-N 3.01Å; S95-L97 VanDerWaalsContact C-N 3.33Å
96W92.2Very high90.4Very high90 Ų9090.7 Ų90.734%0.34144%0.444SS..G310 helixtrans-82.5-6.4179.2-55.4-7.7000114.3E7 N82 F85 F86 F93 T94E7-W96 VanDerWaalsContact OE1-CD1 3.29Å; E7-W96 PolarHBondContact OE1-NE1 2.97Å; E7-W96 PolarHBondContact OE2-NE1 3.08Å; N82-W96 PolarHBondContact ND2-O 2.91Å; F85-W96 HydrophobicContact CD1-CZ3 4.12Å; F85-W96 HydrophobicContact CE1-CH2 4.38Å; F85-W96 HydrophobicContact CE1-CZ3 4.09Å; F86-W96 AromaticContact CE1-CE3 3.84Å; F86-W96 HydrophobicContact CE1-CE3 3.84Å; F86-W96 HydrophobicContact CE1-CZ3 4.29Å; F86-W96 HydrophobicContact CZ-CB 4.26Å; F86-W96 HydrophobicContact CZ-CD2 4.49Å; F86-W96 HydrophobicContact CZ-CE3 4.09Å; F93-W96 HydrophobicContact CB-CD2 3.77Å; F93-W96 HydrophobicContact CB-CE3 4.11Å; F93-W96 HydrophobicContact CB-CG 4.17Å; F93-W96 HydrophobicContact CB-CZ2 4.21Å; F93-W96 HydrophobicContact CB-CZ3 4.47Å; F93-W96 HydrophobicContact CD1-CZ2 4.19Å; F93-W96 HydrophobicContact CG-CH2 4.34Å; F93-W96 HydrophobicContact CG-CZ2 4.23Å; F93-W96 WeakPolarHBondContact O-CB 3.33Å; F93-W96 PolarHBondContact O-N 2.85Å; T94-W96 PolarHBondContact O-N 3.2Å; T94-W96 VanDerWaalsContact O-N 3.13Å
97L87.8Confident89.9Confident66 Ų6696.7 Ų96.735%0.34647%0.474SS..G310 helixtrans-97.96.4176-60.1-179.8000112.7K79 N82 V83 F86 T94 S95K79-L97 HydrophobicContact CG-CD2 4.22Å; N82-L97 HydrophobicContact CB-CD2 3.94Å; V83-L97 HydrophobicContact CG2-CD1 4.48Å; V83-L97 HydrophobicContact CG2-CD2 4.14Å; F86-L97 HydrophobicContact CD2-CD1 4.33Å; F86-L97 HydrophobicContact CE2-CD1 3.78Å; F86-L97 HydrophobicContact CE2-CD2 4.08Å; F86-L97 HydrophobicContact CE2-CG 3.78Å; F86-L97 HydrophobicContact CZ-CG 4.5Å; T94-L97 PolarHBondContact O-N 2.74Å; T94-L97 VanDerWaalsContact O-N 3.08Å; S95-L97 VanDerWaalsContact C-N 3.33Å
98R76Confident89.4Confident255 Ų25586.6 Ų86.696%0.96245%0.446SS*.  trans-80.40174.3-65.1-178.2-178.3153.1-1.1111.2

Retrieved 98 of 98 residues in 18.9 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).