A0A5K4F2L9_SCHMA Loading...

Baculoviral IAP repeat-containing protein 5

AlphaFold DB , UniProt , Accession A0A5K4F2L9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 196 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
1M35.2Very low73.1Confident236 Ų236109.6 Ų109.6100%1.16360%0.597SS**  0123.40-63.3-169.3176.200107.3V3M1-V3 PolarHBondContact O-N 3.22Å; M1-V3 VanDerWaalsContact O-N 3.07Å
2S45.2Very low75Confident124 Ų124100.5 Ų100.587%0.86755%0.547SS*.  trans-64.1109.1-179.952.70000109.1S4S2-S4 PolarHBondContact O-N 3.36Å; S2-S4 VanDerWaalsContact O-N 3.09Å
3V48.3Very low76.5Confident137 Ų13792.9 Ų92.983%0.8351%0.506SS*.  trans-66.2110.7176.7-165.10000106.7M1 T5M1-V3 PolarHBondContact O-N 3.22Å; M1-V3 VanDerWaalsContact O-N 3.07Å; V3-T5 PolarHBondContact O-N 3.46Å
4S62.4Low77.7Confident59 Ų5990.4 Ų90.441%0.41349%0.492SS..PPolyproline II helixtrans-61.4121.2174.343.70000108.3S2 P6S2-S4 PolarHBondContact O-N 3.36Å; S2-S4 VanDerWaalsContact O-N 3.09Å; S4-P6 WeakPolarHBondContact O-CD 3.49Å
5T70.8Confident79Confident115 Ų11587.8 Ų87.871%0.70647%0.473SS*.PPolyproline II helixtrans-63.2127.9175.2470000108.9V3 I7V3-T5 PolarHBondContact O-N 3.46Å; T5-I7 PolarHBondContact O-N 3.1Å
6P84.6Confident80.1Confident118 Ų11887.1 Ų87.177%0.76648%0.476SS*.PPolyproline II helixtrans-54.2139.6176.1-2634.1000111.3S4 D8S4-P6 WeakPolarHBondContact O-CD 3.49Å; P6-D8 PolarHBondContact O-N 2.78Å
7I90.3Very high81Confident45 Ų4583.5 Ų83.523%0.23146%0.455CS..PPolyproline II helixtrans-65.2122.2177.6-66.1-66.8000109.7T5 R9 L12 T21 Y44T5-I7 PolarHBondContact O-N 3.1Å; I7-R9 HydrophobicContact CG2-CG 4.42Å; I7-R9 PolarHBondContact O-N 3.36Å; I7-R9 VanDerWaalsContact O-N 3.17Å; I7-L12 HydrophobicContact CG2-CD1 3.87Å; I7-L12 HydrophobicContact CG2-CD2 3.98Å; I7-L12 HydrophobicContact CG2-CG 4.05Å; I7-T21 HydrophobicContact CD1-CG2 3.94Å; I7-Y44 HydrophobicContact CD1-CD2 4.38Å; I7-Y44 HydrophobicContact CD1-CE2 4.49Å; I7-Y44 HydrophobicContact CG1-CE2 4.31Å; I7-Y44 HydrophobicContact CG2-CD2 4.42Å; I7-Y44 HydrophobicContact CG2-CE2 3.93Å
8D92.7Very high81.9Confident60 Ų6078.9 Ų78.932%0.32143%0.429SS..  trans-77.999.7170.1-176.5-15.9000109.3P6 F10 R11 L12 Y17P6-D8 PolarHBondContact O-N 2.78Å; D8-F10 PolarHBondContact O-N 3.47Å; D8-F10 WeakPolarHBondContact OD1-CB 3.42Å; D8-F10 PolarHBondContact OD1-N 2.83Å; D8-R11 HydrophobicContact CB-CB 4.28Å; D8-R11 HydrophobicContact CB-CG 4.27Å; D8-R11 PolarHBondContact O-N 2.79Å; D8-R11 VanDerWaalsContact O-N 3.14Å; D8-R11 PolarHBondContact OD1-N 3.22Å; D8-R11 WeakPolarHBondContact OD2-CD 3.27Å; D8-R11 VanDerWaalsContact OD2-CG 3.25Å; D8-R11 WeakPolarHBondContact OD2-CG 3.46Å; D8-L12 PolarHBondContact O-N 3.17Å; D8-Y17 HydrophobicContact CB-CE1 4.26Å; D8-Y17 WeakPolarHBondContact CB-OH 3.36Å; D8-Y17 PolarHBondContact N-OH 3.24Å; D8-Y17 VanDerWaalsContact O-CE1 3.24Å; D8-Y17 WeakPolarHBondContact O-CE1 3.13Å
9R90.4Very high82.6Confident33 Ų3377.4 Ų77.413%0.12542%0.421CS..THydrogen-bonded Turntrans-66-24.6-177.4-60.4-16867.979.66.1113.1I7 R11 L12 Y44 M60 R128 Y129 Y132I7-R9 HydrophobicContact CG2-CG 4.42Å; I7-R9 PolarHBondContact O-N 3.36Å; I7-R9 VanDerWaalsContact O-N 3.17Å; R9-R11 VanDerWaalsContact C-N 3.28Å; R9-R11 PolarHBondContact O-N 3.24Å; R9-L12 HydrophobicContact CB-CD1 4.39Å; R9-L12 HydrophobicContact CG-CD1 4.37Å; R9-Y44 PolarHBondContact NH1-OH 2.96Å; R9-Y44 VanDerWaalsContact NH1-OH 3.12Å; R9-M60 PolarHBondContact NH2-SD 3.28Å; R9-R128 PolarHBondContact O-NH1 2.95Å; R9-R128 PolarHBondContact O-NH2 2.99Å; R9-R128 VanDerWaalsContact O-NH2 3.15Å; R9-Y129 PolarHBondContact O-OH 3.11Å; R9-Y132 VanDerWaalsContact CD-CE2 3.48Å; R9-Y132 VanDerWaalsContact CD-OH 3.27Å; R9-Y132 WeakPolarHBondContact CD-OH 3.37Å
10F90.6Very high83.3Confident155 Ų15577 Ų7768%0.6842%0.424SS*.THydrogen-bonded Turntrans-68.9-32.9176-68.2-82.3000111.2D8 Y129D8-F10 PolarHBondContact O-N 3.47Å; D8-F10 WeakPolarHBondContact OD1-CB 3.42Å; D8-F10 PolarHBondContact OD1-N 2.83Å; F10-Y129 VanDerWaalsContact CA-OH 3.24Å; F10-Y129 WeakPolarHBondContact CA-OH 3.48Å; F10-Y129 HydrophobicContact CD1-CE2 4.21Å; F10-Y129 AromaticContact CD1-CZ 3.75Å; F10-Y129 WeakPolarHBondContact CD1-OH 3.34Å; F10-Y129 HydrophobicContact CE1-CE1 4.35Å; F10-Y129 HydrophobicContact CE1-CE2 4.17Å; F10-Y129 AromaticContact CE1-CZ 3.67Å; F10-Y129 WeakPolarHBondContact CE1-OH 3.4Å; F10-Y129 WeakPolarHBondContact CG-OH 3.3Å; F10-Y129 PolarHBondContact N-OH 3.4Å
11R94.2Very high83.8Confident124 Ų12474 Ų7447%0.46841%0.408SS..G310 helixtrans-82-15.7-177-67.117969.1179.5-0.1114.2D8 R9 S13 N14 Y17D8-R11 HydrophobicContact CB-CB 4.28Å; D8-R11 HydrophobicContact CB-CG 4.27Å; D8-R11 PolarHBondContact O-N 2.79Å; D8-R11 VanDerWaalsContact O-N 3.14Å; D8-R11 PolarHBondContact OD1-N 3.22Å; D8-R11 WeakPolarHBondContact OD2-CD 3.27Å; D8-R11 VanDerWaalsContact OD2-CG 3.25Å; D8-R11 WeakPolarHBondContact OD2-CG 3.46Å; R9-R11 VanDerWaalsContact C-N 3.28Å; R9-R11 PolarHBondContact O-N 3.24Å; R11-S13 PolarHBondContact O-N 3.22Å; R11-S13 VanDerWaalsContact O-N 3.11Å; R11-N14 WeakPolarHBondContact O-CB 3.34Å; R11-N14 PolarHBondContact O-N 3.03Å; R11-N14 PolarHBondContact O-ND2 2.84Å; R11-Y17 VanDerWaalsContact C-CD1 3.44Å; R11-Y17 HydrophobicContact CB-CD1 3.45Å; R11-Y17 VanDerWaalsContact CB-CD1 3.45Å; R11-Y17 HydrophobicContact CB-CD2 3.95Å; R11-Y17 HydrophobicContact CB-CE1 3.78Å; R11-Y17 HydrophobicContact CB-CE2 4.25Å; R11-Y17 HydrophobicContact CB-CG 3.53Å; R11-Y17 WeakPolarHBondContact O-CB 3.47Å
12L95.4Very high86.6Confident0 Ų063 Ų630%035%0.354CS..G310 helixtrans-58.9-21.9-179.9-71.7175.6000114.3I7 D8 R9 N14 Y17 R18 Y44 F57I7-L12 HydrophobicContact CG2-CD1 3.87Å; I7-L12 HydrophobicContact CG2-CD2 3.98Å; I7-L12 HydrophobicContact CG2-CG 4.05Å; D8-L12 PolarHBondContact O-N 3.17Å; R9-L12 HydrophobicContact CB-CD1 4.39Å; R9-L12 HydrophobicContact CG-CD1 4.37Å; L12-N14 PolarHBondContact O-N 3.43Å; L12-Y17 HydrophobicContact CD2-CD1 3.99Å; L12-Y17 HydrophobicContact CD2-CE1 3.96Å; L12-Y17 HydrophobicContact CG-CD1 4.39Å; L12-Y17 HydrophobicContact CG-CE1 4.3Å; L12-R18 HydrophobicContact CD2-CG 4.42Å; L12-R18 WeakPolarHBondContact O-CD 3.44Å; L12-R18 WeakPolarHBondContact O-CG 3.2Å; L12-R18 PolarHBondContact O-NH1 3.29Å; L12-Y44 HydrophobicContact CD1-CD1 4.23Å; L12-Y44 HydrophobicContact CD1-CD2 4.43Å; L12-Y44 HydrophobicContact CD1-CE1 3.78Å; L12-Y44 HydrophobicContact CD1-CE2 3.99Å; L12-Y44 HydrophobicContact CD2-CD1 3.82Å; L12-Y44 HydrophobicContact CD2-CD2 3.56Å; L12-Y44 HydrophobicContact CD2-CE1 4.2Å; L12-Y44 HydrophobicContact CD2-CE2 3.94Å; L12-Y44 HydrophobicContact CD2-CG 3.49Å; L12-Y44 VanDerWaalsContact CD2-CG 3.49Å; L12-F57 HydrophobicContact CB-CB 3.94Å; L12-F57 HydrophobicContact CB-CD2 4.49Å; L12-F57 HydrophobicContact CD1-CB 4.45Å
13S94Very high88.8Confident2 Ų260.1 Ų60.11%0.01433%0.334CS..G310 helixtrans-63.8-28.4173.9-55.20000112R11 R18 Y113 D125 R128R11-S13 PolarHBondContact O-N 3.22Å; R11-S13 VanDerWaalsContact O-N 3.11Å; S13-R18 PolarHBondContact O-NH1 3.27Å; S13-Y113 WeakPolarHBondContact O-CB 3.41Å; S13-D125 PolarHBondContact OG-OD1 2.9Å; S13-R128 PolarHBondContact OG-NH2 3.37Å
14N94.4Very high90.7Very high58 Ų5860.9 Ų60.931%0.3133%0.333SS..SBendtrans-81129.6176.8-53.9-66000111.3R11 L12 S16 Y17 R18 E114R11-N14 WeakPolarHBondContact O-CB 3.34Å; R11-N14 PolarHBondContact O-N 3.03Å; R11-N14 PolarHBondContact O-ND2 2.84Å; L12-N14 PolarHBondContact O-N 3.43Å; N14-S16 VanDerWaalsContact C-N 3.31Å; N14-S16 PolarHBondContact O-N 3.32Å; N14-Y17 PolarHBondContact O-N 3.44Å; N14-R18 PolarHBondContact O-N 3.08Å; N14-E114 WeakPolarHBondContact CA-OE1 3.33Å
15Y96.4Very high92.1Very high51 Ų5159.1 Ų59.120%0.232%0.317CS..Hα-helixtrans-54.7-46.1175162.4-106.1000112.4Y17 R18 L19 A39 K40 E114Y15-Y17 VanDerWaalsContact C-N 3.27Å; Y15-Y17 PolarHBondContact O-N 3.23Å; Y15-R18 PolarHBondContact O-N 3.39Å; Y15-L19 HydrophobicContact CE1-CD2 4.32Å; Y15-L19 PolarHBondContact O-N 2.86Å; Y15-A39 HydrophobicContact CD2-CB 3.86Å; Y15-A39 HydrophobicContact CE2-CB 3.57Å; Y15-K40 HydrophobicContact CD2-CG 4.13Å; Y15-K40 HydrophobicContact CE2-CB 4.46Å; Y15-K40 HydrophobicContact CE2-CG 3.6Å; Y15-E114 WeakPolarHBondContact CB-OE1 3.47Å; Y15-E114 PolarHBondContact N-OE1 3.5Å
16S96.1Very high92.8Very high76 Ų7657 Ų5753%0.53131%0.305SS..Hα-helixtrans-61.2-35.8-177.6580000112.9N14 S20N14-S16 VanDerWaalsContact C-N 3.31Å; N14-S16 PolarHBondContact O-N 3.32Å; S16-S20 PolarHBondContact O-N 3.27Å
17Y96.5Very high92.9Very high27 Ų2753.4 Ų53.411%0.10628%0.277CS..Hα-helixtrans-71.3-44.4176.6-173.2-109.2000110.9D8 R11 L12 N14 Y15 L19 S20 T21D8-Y17 HydrophobicContact CB-CE1 4.26Å; D8-Y17 WeakPolarHBondContact CB-OH 3.36Å; D8-Y17 PolarHBondContact N-OH 3.24Å; D8-Y17 VanDerWaalsContact O-CE1 3.24Å; D8-Y17 WeakPolarHBondContact O-CE1 3.13Å; R11-Y17 VanDerWaalsContact C-CD1 3.44Å; R11-Y17 HydrophobicContact CB-CD1 3.45Å; R11-Y17 VanDerWaalsContact CB-CD1 3.45Å; R11-Y17 HydrophobicContact CB-CD2 3.95Å; R11-Y17 HydrophobicContact CB-CE1 3.78Å; R11-Y17 HydrophobicContact CB-CE2 4.25Å; R11-Y17 HydrophobicContact CB-CG 3.53Å; R11-Y17 WeakPolarHBondContact O-CB 3.47Å; L12-Y17 HydrophobicContact CD2-CD1 3.99Å; L12-Y17 HydrophobicContact CD2-CE1 3.96Å; L12-Y17 HydrophobicContact CG-CD1 4.39Å; L12-Y17 HydrophobicContact CG-CE1 4.3Å; N14-Y17 PolarHBondContact O-N 3.44Å; Y15-Y17 VanDerWaalsContact C-N 3.27Å; Y15-Y17 PolarHBondContact O-N 3.23Å; Y17-L19 VanDerWaalsContact C-N 3.31Å; Y17-L19 PolarHBondContact O-N 3.5Å; Y17-S20 PolarHBondContact O-N 2.92Å; Y17-S20 VanDerWaalsContact O-N 3.11Å; Y17-S20 PolarHBondContact O-OG 3.02Å; Y17-T21 WeakPolarHBondContact O-CG2 3.43Å; Y17-T21 PolarHBondContact O-N 3.44Å
18R96.5Very high92.4Very high0 Ų057.6 Ų57.60%030%0.3CS..Hα-helixtrans-55.9-47.2173.9-64.6-164.7-59.9-843.9111.5L12 S13 N14 Y15 S20 T21 A39L12-R18 HydrophobicContact CD2-CG 4.42Å; L12-R18 WeakPolarHBondContact O-CD 3.44Å; L12-R18 WeakPolarHBondContact O-CG 3.2Å; L12-R18 PolarHBondContact O-NH1 3.29Å; S13-R18 PolarHBondContact O-NH1 3.27Å; N14-R18 PolarHBondContact O-N 3.08Å; Y15-R18 PolarHBondContact O-N 3.39Å; R18-S20 VanDerWaalsContact C-N 3.3Å; R18-S20 PolarHBondContact O-N 2.64Å; R18-T21 WeakPolarHBondContact O-CB 3.46Å; R18-T21 PolarHBondContact O-N 2.79Å; R18-T21 PolarHBondContact O-OG1 2.91Å; R18-A39 HydrophobicContact CB-CB 4.12Å; R18-A39 PolarHBondContact NE-O 3.2Å; R18-A39 PolarHBondContact NH2-O 2.79Å
19L96.1Very high91.6Very high51 Ų5157.7 Ų57.727%0.26732%0.315SS..Hα-helixtrans-57.7-42.6176.4-177.760.8000111.9Y15 Y17 T21 L22 A35 E36 A39Y15-L19 HydrophobicContact CE1-CD2 4.32Å; Y15-L19 PolarHBondContact O-N 2.86Å; Y17-L19 VanDerWaalsContact C-N 3.31Å; Y17-L19 PolarHBondContact O-N 3.5Å; L19-T21 PolarHBondContact O-N 3.44Å; L19-L22 WeakPolarHBondContact O-CB 3.32Å; L19-L22 PolarHBondContact O-N 3.26Å; L19-A35 HydrophobicContact CD1-CB 3.99Å; L19-E36 HydrophobicContact CD1-CG 4.36Å; L19-A39 HydrophobicContact CB-CB 3.94Å; L19-A39 HydrophobicContact CD1-CB 4.27Å
20S95.1Very high91Very high69 Ų6962.8 Ų62.848%0.48335%0.345SS..Hα-helixtrans-62.3-26.3178.1760000113.8S16 Y17 R18 L22S16-S20 PolarHBondContact O-N 3.27Å; Y17-S20 PolarHBondContact O-N 2.92Å; Y17-S20 VanDerWaalsContact O-N 3.11Å; Y17-S20 PolarHBondContact O-OG 3.02Å; R18-S20 VanDerWaalsContact C-N 3.3Å; R18-S20 PolarHBondContact O-N 2.64Å; S20-L22 VanDerWaalsContact C-N 3.25Å; S20-L22 PolarHBondContact O-N 3.24Å
21T95Very high90.7Very high14 Ų1455.7 Ų55.79%0.08631%0.314CS..Hα-helixtrans-70.7-23.217672.80000113I7 Y17 R18 L19 S23 Y44 R45I7-T21 HydrophobicContact CD1-CG2 3.94Å; Y17-T21 WeakPolarHBondContact O-CG2 3.43Å; Y17-T21 PolarHBondContact O-N 3.44Å; R18-T21 WeakPolarHBondContact O-CB 3.46Å; R18-T21 PolarHBondContact O-N 2.79Å; R18-T21 PolarHBondContact O-OG1 2.91Å; L19-T21 PolarHBondContact O-N 3.44Å; T21-S23 PolarHBondContact O-N 2.75Å; T21-Y44 WeakPolarHBondContact OG1-CA 3.36Å; T21-Y44 WeakPolarHBondContact OG1-CB 3.48Å; T21-R45 WeakPolarHBondContact O-CB 3.25Å; T21-R45 VanDerWaalsContact O-CZ 3.31Å; T21-R45 PolarHBondContact O-NE 2.92Å; T21-R45 PolarHBondContact O-NH2 2.72Å; T21-R45 PolarHBondContact OG1-N 3.11Å
22L94Very high90.3Very high6 Ų652.4 Ų52.43%0.03131%0.306CS..THydrogen-bonded Turntrans-90.329.2-179.8-63.3161.9000111.5L19 S20 N24 W25 A35 M38 A39 R45 T54L19-L22 WeakPolarHBondContact O-CB 3.32Å; L19-L22 PolarHBondContact O-N 3.26Å; S20-L22 VanDerWaalsContact C-N 3.25Å; S20-L22 PolarHBondContact O-N 3.24Å; L22-N24 PolarHBondContact O-N 2.82Å; L22-W25 HydrophobicContact CB-CB 4.36Å; L22-W25 HydrophobicContact CD2-CD2 4.06Å; L22-W25 HydrophobicContact CD2-CE3 3.63Å; L22-W25 HydrophobicContact CD2-CZ3 3.96Å; L22-W25 WeakPolarHBondContact O-CB 3.19Å; L22-W25 PolarHBondContact O-N 3.12Å; L22-A35 HydrophobicContact CB-CB 3.94Å; L22-A35 HydrophobicContact CD1-CB 4.35Å; L22-A35 WeakPolarHBondContact CD1-O 3.39Å; L22-M38 HydrophobicContact CD1-CB 3.79Å; L22-A39 HydrophobicContact CD1-CB 4.11Å; L22-R45 HydrophobicContact CD2-CB 4.22Å; L22-T54 HydrophobicContact CD2-CG2 4.13Å
23S90.8Very high90.1Very high63 Ų6352.4 Ų52.444%0.44131%0.306SS..THydrogen-bonded Turntrans-62132.5172.564.30000110.8T21 W25 R45T21-S23 PolarHBondContact O-N 2.75Å; S23-W25 VanDerWaalsContact C-N 3.3Å; S23-R45 PolarHBondContact O-NH1 2.74Å; S23-R45 PolarHBondContact O-NH2 3.36Å; S23-R45 PolarHBondContact OG-NH2 2.92Å; S23-R45 VanDerWaalsContact OG-NH2 3.17Å
24N89.3Confident90Very high152 Ų15253.2 Ų53.281%0.81331%0.311SS*.THydrogen-bonded Turntrans61.433.4-173.4-48.4-32.7000113.6L22L22-N24 PolarHBondContact O-N 2.82Å
25W90.8Very high90Very high22 Ų2251.4 Ų51.48%0.08330%0.304CS..  trans-60.7132169.8-171.2-112.8000109.9L22 S23 Y27 C33 A35 M38 P51 T52 T54 W66L22-W25 HydrophobicContact CB-CB 4.36Å; L22-W25 HydrophobicContact CD2-CD2 4.06Å; L22-W25 HydrophobicContact CD2-CE3 3.63Å; L22-W25 HydrophobicContact CD2-CZ3 3.96Å; L22-W25 WeakPolarHBondContact O-CB 3.19Å; L22-W25 PolarHBondContact O-N 3.12Å; S23-W25 VanDerWaalsContact C-N 3.3Å; W25-Y27 AromaticContact CE2-CD2 3.69Å; W25-Y27 AromaticContact CZ2-CD2 3.79Å; W25-Y27 HydrophobicContact CZ2-CD2 3.79Å; W25-Y27 AromaticContact CZ2-CE2 3.95Å; W25-Y27 HydrophobicContact CZ2-CE2 3.95Å; W25-Y27 AromaticContact NE1-CD2 3.44Å; W25-Y27 PolarHBondContact O-N 3.42Å; W25-C33 PolarHBondContact NE1-O 3.07Å; W25-A35 HydrophobicContact CB-CB 3.92Å; W25-A35 HydrophobicContact CG-CB 4.1Å; W25-M38 HydrophobicContact CH2-CE 4.21Å; W25-M38 HydrophobicContact CZ2-CE 4Å; W25-M38 HydrophobicContact CZ2-CG 4.27Å; W25-P51 VanDerWaalsContact CE3-O 3.3Å; W25-P51 WeakPolarHBondContact CZ3-O 3.19Å; W25-T52 WeakPolarHBondContact CH2-O 3.26Å; W25-T54 HydrophobicContact CH2-CG2 3.41Å; W25-T54 VanDerWaalsContact CH2-CG2 3.41Å; W25-T54 HydrophobicContact CZ2-CG2 4.29Å; W25-T54 HydrophobicContact CZ3-CG2 3.62Å; W25-W66 AromaticContact CH2-CD1 3.77Å; W25-W66 HydrophobicContact CH2-CG 4.42Å; W25-W66 HydrophobicContact CZ2-CB 4.48Å; W25-W66 AromaticContact CZ2-CD1 3.98Å; W25-W66 HydrophobicContact CZ2-CG 4.19Å
26P86.3Confident90Very high70 Ų7053.9 Ų53.946%0.45532%0.317SS..SBendtrans-72.8-11.7-169.428.3-35.6000114.2T52P26-T52 HydrophobicContact CG-CG2 4.04Å
27Y85.9Confident89.9Confident44 Ų4453.8 Ų53.817%0.17331%0.307CS..  trans-112.2115.6-174.7-44.3-49.1000111.1W25 C33 W66 P68W25-Y27 AromaticContact CE2-CD2 3.69Å; W25-Y27 AromaticContact CZ2-CD2 3.79Å; W25-Y27 HydrophobicContact CZ2-CD2 3.79Å; W25-Y27 AromaticContact CZ2-CE2 3.95Å; W25-Y27 HydrophobicContact CZ2-CE2 3.95Å; W25-Y27 AromaticContact NE1-CD2 3.44Å; W25-Y27 PolarHBondContact O-N 3.42Å; Y27-C33 VanDerWaalsContact CD2-SG 3.52Å; Y27-W66 HydrophobicContact CD2-CB 4.35Å; Y27-W66 HydrophobicContact CE2-CB 3.69Å; Y27-W66 WeakPolarHBondContact CE2-O 3.24Å; Y27-W66 PolarHBondContact OH-O 2.99Å; Y27-P68 HydrophobicContact CD1-CB 3.49Å; Y27-P68 VanDerWaalsContact CD1-CB 3.49Å; Y27-P68 HydrophobicContact CD1-CG 3.51Å; Y27-P68 HydrophobicContact CE1-CB 3.99Å; Y27-P68 HydrophobicContact CE1-CG 3.51Å; Y27-P68 HydrophobicContact CG-CB 3.88Å; Y27-P68 HydrophobicContact CG-CG 4.34Å
28D79.8Confident89.9Confident132 Ų13252.5 Ų52.571%0.70630%0.302SS*.  trans-126.3-168.8178.865.15.1000111.4N30 S31D28-N30 PolarHBondContact O-N 3.4Å; D28-S31 PolarHBondContact O-N 3.23Å
29G77.2Confident89.9Confident63 Ų6352.5 Ų52.565%0.64930%0.302SS*.THydrogen-bonded Turntrans60.7-125.1173.500000114.3S31G29-S31 VanDerWaalsContact C-N 3.31Å; G29-S31 PolarHBondContact O-N 2.92Å
30N76.9Confident89.9Confident140 Ų14054.4 Ų54.475%0.74931%0.308SS*.THydrogen-bonded Turntrans-82.2-1.6-172.3-74.7-8.6000114.5D28D28-N30 PolarHBondContact O-N 3.4Å
31S83.6Confident90Very high5 Ų551.3 Ų51.34%0.03529%0.286CS..  trans-61146.7-178.6-179.90000113D28 G29 C33 T34 K37D28-S31 PolarHBondContact O-N 3.23Å; G29-S31 VanDerWaalsContact C-N 3.31Å; G29-S31 PolarHBondContact O-N 2.92Å; S31-C33 VanDerWaalsContact C-N 3.31Å; S31-C33 PolarHBondContact OG-N 3.32Å; S31-C33 VanDerWaalsContact OG-N 3.08Å; S31-C33 PolarHBondContact OG-SG 3.3Å; S31-T34 WeakPolarHBondContact O-CG2 3.46Å; S31-K37 PolarHBondContact O-NZ 2.97Å
32L87Confident90.1Very high55 Ų5550.6 Ų50.629%0.28828%0.282SS..THydrogen-bonded Turntrans-72.2-23.8167.5-68.8-172.1000113K37 Q91 D92 D93 P94L32-K37 WeakPolarHBondContact O-CB 3.42Å; L32-K37 WeakPolarHBondContact O-CD 3.39Å; L32-Q91 HydrophobicContact CB-CB 4.18Å; L32-Q91 HydrophobicContact CD1-CB 3.92Å; L32-Q91 HydrophobicContact CG-CB 4.08Å; L32-D92 CarbonylContact C-O 3.59Å; L32-D92 VanDerWaalsContact CB-O 3.24Å; L32-D92 WeakPolarHBondContact CB-O 3.48Å; L32-D93 HydrophobicContact CD1-CB 4.26Å; L32-P94 WeakPolarHBondContact O-CD 2.89Å
33C89.9Confident90.2Very high0 Ų050.3 Ų50.30%028%0.281CS..THydrogen-bonded Turntrans-102.134.7-179.564.60000113.6W25 Y27 S31 M38 W66 D92 P94W25-C33 PolarHBondContact NE1-O 3.07Å; Y27-C33 VanDerWaalsContact CD2-SG 3.52Å; S31-C33 VanDerWaalsContact C-N 3.31Å; S31-C33 PolarHBondContact OG-N 3.32Å; S31-C33 VanDerWaalsContact OG-N 3.08Å; S31-C33 PolarHBondContact OG-SG 3.3Å; C33-M38 HydrophobicContact CB-SD 4.42Å; C33-W66 HydrophobicContact CB-CE3 4.03Å; C33-D92 PolarHBondContact N-O 2.95Å; C33-P94 HydrophobicContact CB-CG 4.21Å
34T93.3Very high90.5Very high19 Ų1947.5 Ų47.512%0.11726%0.26CS..  trans-60.4154.4173.254.70000112.1S31 E36 K37 M38S31-T34 WeakPolarHBondContact O-CG2 3.46Å; T34-E36 PolarHBondContact O-N 2.65Å; T34-E36 VanDerWaalsContact O-N 3.11Å; T34-K37 PolarHBondContact O-N 3.37Å; T34-K37 WeakPolarHBondContact OG1-CG 3.46Å; T34-M38 VanDerWaalsContact O-CG 3.29Å; T34-M38 WeakPolarHBondContact O-CG 3.44Å; T34-M38 PolarHBondContact O-N 3.45Å
35A94.8Very high90.8Very high20 Ų2041.3 Ų41.317%0.16523%0.226CC..Hα-helixtrans-53.2-36.7178.800000113.1L19 L22 W25 A39L19-A35 HydrophobicContact CD1-CB 3.99Å; L22-A35 HydrophobicContact CB-CB 3.94Å; L22-A35 HydrophobicContact CD1-CB 4.35Å; L22-A35 WeakPolarHBondContact CD1-O 3.39Å; W25-A35 HydrophobicContact CB-CB 3.92Å; W25-A35 HydrophobicContact CG-CB 4.1Å; A35-A39 WeakPolarHBondContact O-CB 3.35Å; A35-A39 PolarHBondContact O-N 2.78Å
36E95.1Very high90.9Very high104 Ų10441.8 Ų41.849%0.48623%0.232SC..Hα-helixtrans-65.1-45.1176.2-69.3-168.2-172.600113.2L19 T34 A39 K40L19-E36 HydrophobicContact CD1-CG 4.36Å; T34-E36 PolarHBondContact O-N 2.65Å; T34-E36 VanDerWaalsContact O-N 3.11Å; E36-A39 PolarHBondContact O-N 3.3Å; E36-K40 WeakPolarHBondContact O-CB 3.47Å; E36-K40 VanDerWaalsContact O-CG 3.25Å; E36-K40 WeakPolarHBondContact O-CG 3.49Å; E36-K40 PolarHBondContact O-N 3Å; E36-K40 IonicContact OE2-NZ 3.4Å; E36-K40 PolarHBondContact OE2-NZ 3.47Å
37K94.8Very high91Very high74 Ų7442.3 Ų42.332%0.32223%0.231SC..Hα-helixtrans-67.3-45.3179.4-71.8176.2-177.6170.10109.9S31 L32 T34 A39 K40 S41 P94S31-K37 PolarHBondContact O-NZ 2.97Å; L32-K37 WeakPolarHBondContact O-CB 3.42Å; L32-K37 WeakPolarHBondContact O-CD 3.39Å; T34-K37 PolarHBondContact O-N 3.37Å; T34-K37 WeakPolarHBondContact OG1-CG 3.46Å; K37-A39 PolarHBondContact O-N 3.17Å; K37-K40 WeakPolarHBondContact O-CB 3.14Å; K37-K40 PolarHBondContact O-N 3.01Å; K37-K40 VanDerWaalsContact O-N 3.13Å; K37-S41 WeakPolarHBondContact O-CB 3.42Å; K37-S41 PolarHBondContact O-N 3.39Å; K37-S41 PolarHBondContact O-OG 3.37Å; K37-S41 VanDerWaalsContact O-OG 3.04Å; K37-P94 HydrophobicContact CB-CG 4.37Å
38M95.9Very high90.9Very high0 Ų042.7 Ų42.70%024%0.239CC..Hα-helixtrans-50.7-53.6171.9-69-63.1-74.100112.2L22 W25 C33 T34 K40 S41 G42 F43 T54 W66 P94L22-M38 HydrophobicContact CD1-CB 3.79Å; W25-M38 HydrophobicContact CH2-CE 4.21Å; W25-M38 HydrophobicContact CZ2-CE 4Å; W25-M38 HydrophobicContact CZ2-CG 4.27Å; C33-M38 HydrophobicContact CB-SD 4.42Å; T34-M38 VanDerWaalsContact O-CG 3.29Å; T34-M38 WeakPolarHBondContact O-CG 3.44Å; T34-M38 PolarHBondContact O-N 3.45Å; M38-K40 PolarHBondContact O-N 3.47Å; M38-S41 PolarHBondContact O-N 2.92Å; M38-G42 PolarHBondContact O-N 3.21Å; M38-F43 HydrophobicContact CB-CB 4.38Å; M38-F43 HydrophobicContact CE-CB 3.94Å; M38-F43 HydrophobicContact CE-CD2 4.26Å; M38-F43 HydrophobicContact CE-CG 4.1Å; M38-F43 WeakPolarHBondContact O-CB 3.49Å; M38-F43 PolarHBondContact O-N 2.92Å; M38-F43 HydrophobicContact SD-CD2 4.43Å; M38-T54 HydrophobicContact CE-CG2 3.29Å; M38-T54 WeakPolarHBondContact CE-OG1 3.03Å; M38-W66 HydrophobicContact CE-CD2 3.88Å; M38-W66 HydrophobicContact CE-CE3 4.39Å; M38-W66 HydrophobicContact CE-CG 4.47Å; M38-W66 HydrophobicContact CE-CH2 3.95Å; M38-W66 HydrophobicContact CE-CZ2 3.35Å; M38-W66 HydrophobicContact CE-CZ3 4.43Å; M38-W66 HydrophobicContact SD-CD2 4.03Å; M38-W66 HydrophobicContact SD-CE3 3.99Å; M38-W66 HydrophobicContact SD-CH2 3.87Å; M38-W66 HydrophobicContact SD-CZ2 3.9Å; M38-W66 HydrophobicContact SD-CZ3 3.91Å; M38-P94 HydrophobicContact CG-CG 4.12Å; M38-P94 HydrophobicContact SD-CB 3.65Å; M38-P94 HydrophobicContact SD-CG 3.32Å; M38-P94 WeakPolarHBondContact SD-CG 3.43Å
39A96.7Very high91.2Very high0 Ų041.1 Ų41.10%024%0.238CC..Hα-helixtrans-65.3-36.4179.700000113Y15 R18 L19 L22 A35 E36 K37 G42 F43Y15-A39 HydrophobicContact CD2-CB 3.86Å; Y15-A39 HydrophobicContact CE2-CB 3.57Å; R18-A39 HydrophobicContact CB-CB 4.12Å; R18-A39 PolarHBondContact NE-O 3.2Å; R18-A39 PolarHBondContact NH2-O 2.79Å; L19-A39 HydrophobicContact CB-CB 3.94Å; L19-A39 HydrophobicContact CD1-CB 4.27Å; L22-A39 HydrophobicContact CD1-CB 4.11Å; A35-A39 WeakPolarHBondContact O-CB 3.35Å; A35-A39 PolarHBondContact O-N 2.78Å; E36-A39 PolarHBondContact O-N 3.3Å; K37-A39 PolarHBondContact O-N 3.17Å; A39-G42 PolarHBondContact O-N 3.24Å; A39-F43 WeakPolarHBondContact CA-O 3.38Å
40K96.1Very high91.6Very high91 Ų9140.9 Ų40.940%0.39622%0.222SC..Hα-helixtrans-63.6-40.3174.4-78.3166.5-175.8159.60111.3Y15 E36 K37 M38 G42 F107 Q112Y15-K40 HydrophobicContact CD2-CG 4.13Å; Y15-K40 HydrophobicContact CE2-CB 4.46Å; Y15-K40 HydrophobicContact CE2-CG 3.6Å; E36-K40 WeakPolarHBondContact O-CB 3.47Å; E36-K40 VanDerWaalsContact O-CG 3.25Å; E36-K40 WeakPolarHBondContact O-CG 3.49Å; E36-K40 PolarHBondContact O-N 3Å; E36-K40 IonicContact OE2-NZ 3.4Å; E36-K40 PolarHBondContact OE2-NZ 3.47Å; K37-K40 WeakPolarHBondContact O-CB 3.14Å; K37-K40 PolarHBondContact O-N 3.01Å; K37-K40 VanDerWaalsContact O-N 3.13Å; M38-K40 PolarHBondContact O-N 3.47Å; K40-G42 PolarHBondContact O-N 3.25Å; K40-F107 WeakPolarHBondContact O-CE1 3.38Å; K40-Q112 PolarHBondContact O-NE2 2.89Å
41S96.5Very high91.8Very high3 Ų337.5 Ų37.52%0.02121%0.207CC..THydrogen-bonded Turntrans-74.12.5176-560000114.3K37 M38 P94 D95 H98 F107K37-S41 WeakPolarHBondContact O-CB 3.42Å; K37-S41 PolarHBondContact O-N 3.39Å; K37-S41 PolarHBondContact O-OG 3.37Å; K37-S41 VanDerWaalsContact O-OG 3.04Å; M38-S41 PolarHBondContact O-N 2.92Å; S41-P94 WeakPolarHBondContact OG-CB 3.46Å; S41-D95 WeakPolarHBondContact CA-OD1 3.47Å; S41-D95 WeakPolarHBondContact CB-OD1 3.37Å; S41-D95 PolarHBondContact OG-N 3.45Å; S41-D95 PolarHBondContact OG-OD1 3.3Å; S41-H98 PolarHBondContact O-CE1 3.35Å; S41-H98 PolarHBondContact O-ND1 3.14Å; S41-F107 VanDerWaalsContact C-CE1 3.49Å
42G96.8Very high92Very high0 Ų038.9 Ų38.90%022%0.216CC..THydrogen-bonded Turntrans92.56.9174.300000114.1M38 A39 K40 C56 F57M38-G42 PolarHBondContact O-N 3.21Å; A39-G42 PolarHBondContact O-N 3.24Å; K40-G42 PolarHBondContact O-N 3.25Å; G42-C56 WeakPolarHBondContact O-CA 3.36Å; G42-F57 VanDerWaalsContact O-CD1 3.31Å; G42-F57 WeakPolarHBondContact O-CD1 3.25Å; G42-F57 PolarHBondContact O-N 3.35Å
43F97.2Very high92.3Very high0 Ų036.5 Ų36.50%020%0.204CC..EExtended strand (participates in β ladder)trans-84146.9179.2-66-74.9000112.4M38 A39 Q55 C56 L63 W66 P94 H98M38-F43 HydrophobicContact CB-CB 4.38Å; M38-F43 HydrophobicContact CE-CB 3.94Å; M38-F43 HydrophobicContact CE-CD2 4.26Å; M38-F43 HydrophobicContact CE-CG 4.1Å; M38-F43 WeakPolarHBondContact O-CB 3.49Å; M38-F43 PolarHBondContact O-N 2.92Å; M38-F43 HydrophobicContact SD-CD2 4.43Å; A39-F43 WeakPolarHBondContact CA-O 3.38Å; F43-Q55 WeakPolarHBondContact CA-O 2.94Å; F43-C56 HydrophobicContact CD1-CB 4.4Å; F43-C56 HydrophobicContact CE1-CB 4.18Å; F43-L63 HydrophobicContact CE1-CD1 3.87Å; F43-L63 HydrophobicContact CE1-CG 4.37Å; F43-L63 HydrophobicContact CZ-CD1 3.69Å; F43-W66 HydrophobicContact CD2-CH2 4.45Å; F43-W66 HydrophobicContact CE1-CZ2 4.49Å; F43-W66 HydrophobicContact CE2-CH2 4.03Å; F43-W66 HydrophobicContact CE2-CZ2 4.38Å; F43-W66 HydrophobicContact CZ-CH2 4.23Å; F43-W66 HydrophobicContact CZ-CZ2 4.36Å; F43-P94 HydrophobicContact CD2-CB 4.19Å; F43-P94 HydrophobicContact CE2-CB 4.17Å; F43-P94 WeakPolarHBondContact CE2-O 3.24Å; F43-H98 HydrophobicContact CE2-CB 3.83Å; F43-H98 HydrophobicContact CZ-CB 3.72Å; F43-H98 AromaticContact CZ-CG 3.91Å
44Y96.6Very high92.6Very high3 Ų336.5 Ų36.51%0.01220%0.204CC..EExtended strand (participates in β ladder)trans-138.7163168.675-82.1000108.5I7 R9 L12 T21 P46 T54 Q55 F57I7-Y44 HydrophobicContact CD1-CD2 4.38Å; I7-Y44 HydrophobicContact CD1-CE2 4.49Å; I7-Y44 HydrophobicContact CG1-CE2 4.31Å; I7-Y44 HydrophobicContact CG2-CD2 4.42Å; I7-Y44 HydrophobicContact CG2-CE2 3.93Å; R9-Y44 PolarHBondContact NH1-OH 2.96Å; R9-Y44 VanDerWaalsContact NH1-OH 3.12Å; L12-Y44 HydrophobicContact CD1-CD1 4.23Å; L12-Y44 HydrophobicContact CD1-CD2 4.43Å; L12-Y44 HydrophobicContact CD1-CE1 3.78Å; L12-Y44 HydrophobicContact CD1-CE2 3.99Å; L12-Y44 HydrophobicContact CD2-CD1 3.82Å; L12-Y44 HydrophobicContact CD2-CD2 3.56Å; L12-Y44 HydrophobicContact CD2-CE1 4.2Å; L12-Y44 HydrophobicContact CD2-CE2 3.94Å; L12-Y44 HydrophobicContact CD2-CG 3.49Å; L12-Y44 VanDerWaalsContact CD2-CG 3.49Å; T21-Y44 WeakPolarHBondContact OG1-CA 3.36Å; T21-Y44 WeakPolarHBondContact OG1-CB 3.48Å; Y44-P46 HydrophobicContact CE2-CB 3.9Å; Y44-P46 VanDerWaalsContact O-CD 3.31Å; Y44-P46 WeakPolarHBondContact O-CD 2.87Å; Y44-T54 CarbonylContact O-C 3.56Å; Y44-T54 WeakPolarHBondContact O-CA 3.37Å; Y44-Q55 WeakPolarHBondContact CD1-O 3.35Å; Y44-Q55 HydrophobicContact CE1-CB 4.07Å; Y44-Q55 HydrophobicContact CE1-CG 4.4Å; Y44-Q55 WeakPolarHBondContact CE1-O 3.48Å; Y44-Q55 PolarHBondContact N-O 3.15Å; Y44-Q55 PolarHBondContact O-N 3.42Å; Y44-Q55 PolarHBondContact OH-OE1 3.01Å; Y44-F57 HydrophobicContact CD1-CB 4.1Å; Y44-F57 HydrophobicContact CE1-CB 4.21Å
45R95Very high92.7Very high22 Ų2236.2 Ų36.28%0.08320%0.201CC..  trans-87112.3173.1-177.4169.855.4178-7.9109.6T21 L22 S23 N47T21-R45 WeakPolarHBondContact O-CB 3.25Å; T21-R45 VanDerWaalsContact O-CZ 3.31Å; T21-R45 PolarHBondContact O-NE 2.92Å; T21-R45 PolarHBondContact O-NH2 2.72Å; T21-R45 PolarHBondContact OG1-N 3.11Å; L22-R45 HydrophobicContact CD2-CB 4.22Å; S23-R45 PolarHBondContact O-NH1 2.74Å; S23-R45 PolarHBondContact O-NH2 3.36Å; S23-R45 PolarHBondContact OG-NH2 2.92Å; S23-R45 VanDerWaalsContact OG-NH2 3.17Å; R45-N47 WeakPolarHBondContact CG-O 3.43Å
46P92.9Very high92.9Very high33 Ų3335.2 Ų35.221%0.21419%0.193CC..SBendtrans-73.9-32.3-177.230.2-35.6000113.1Y44 T53 Q55Y44-P46 HydrophobicContact CE2-CB 3.9Å; Y44-P46 VanDerWaalsContact O-CD 3.31Å; Y44-P46 WeakPolarHBondContact O-CD 2.87Å; P46-T53 WeakPolarHBondContact CD-O 3.16Å; P46-T53 HydrophobicContact CG-CG2 4.27Å; P46-Q55 HydrophobicContact CB-CB 4.3Å; P46-Q55 HydrophobicContact CG-CB 3.98Å
47N88.6Confident92.9Very high80 Ų8030.3 Ų30.343%0.42817%0.17SC..  trans-132.3115.1-179.6-175.5-4.7000109.8R45 S49 N50R45-N47 WeakPolarHBondContact CG-O 3.43Å; N47-S49 PolarHBondContact O-N 3.21Å; N47-S49 VanDerWaalsContact O-N 3.12Å; N47-S49 WeakPolarHBondContact OD1-CB 3.24Å; N47-S49 PolarHBondContact OD1-N 3.48Å; N47-S49 PolarHBondContact OD1-OG 3.29Å; N47-N50 PolarHBondContact O-N 2.97Å
48P84.4Confident93Very high53 Ų5326.8 Ų26.834%0.34416%0.155SC..THydrogen-bonded Turntrans-58.3-22.7177.2-26.536.4000114.7N50P48-N50 VanDerWaalsContact C-N 3.31Å; P48-N50 PolarHBondContact O-N 3.4Å
49S86.1Confident92.9Very high99 Ų9927.9 Ų27.969%0.69216%0.162SC*.THydrogen-bonded Turntrans-71.3-22.4179.7-54.70000113.9N47N47-S49 PolarHBondContact O-N 3.21Å; N47-S49 VanDerWaalsContact O-N 3.12Å; N47-S49 WeakPolarHBondContact OD1-CB 3.24Å; N47-S49 PolarHBondContact OD1-N 3.48Å; N47-S49 PolarHBondContact OD1-OG 3.29Å
50N85Confident92.8Very high57 Ų5728.4 Ų28.431%0.30517%0.165SC..SBendtrans-107.4103.4171.8-168.6-30.4000108.4N47 P48 T52 T53N47-N50 PolarHBondContact O-N 2.97Å; P48-N50 VanDerWaalsContact C-N 3.31Å; P48-N50 PolarHBondContact O-N 3.4Å; N50-T52 PolarHBondContact O-N 2.97Å; N50-T52 PolarHBondContact OD1-N 3.01Å; N50-T52 PolarHBondContact OD1-OG1 3.35Å; N50-T53 PolarHBondContact ND2-OG1 3.04Å; N50-T53 PolarHBondContact OD1-N 3.4Å; N50-T53 PolarHBondContact OD1-OG1 3.18Å
51P82.4Confident92.8Very high69 Ų6928 Ų2845%0.44816%0.163SC..SBendtrans-68.4-22.5-167.327-34.5000113.5W25W25-P51 VanDerWaalsContact CE3-O 3.3Å; W25-P51 WeakPolarHBondContact CZ3-O 3.19Å
52T86.1Confident92.8Very high35 Ų3532.2 Ų32.222%0.21518%0.182CC..SBendtrans-111.2-10.5-173.250.20000113.8W25 P26 N50W25-T52 WeakPolarHBondContact CH2-O 3.26Å; P26-T52 HydrophobicContact CG-CG2 4.04Å; N50-T52 PolarHBondContact O-N 2.97Å; N50-T52 PolarHBondContact OD1-N 3.01Å; N50-T52 PolarHBondContact OD1-OG1 3.35Å
53T93.6Very high92.7Very high5 Ų533.1 Ų33.13%0.03119%0.187CC..  trans-74.5132.2175.7-590000110.7P46 N50 E62 E64P46-T53 WeakPolarHBondContact CD-O 3.16Å; P46-T53 HydrophobicContact CG-CG2 4.27Å; N50-T53 PolarHBondContact ND2-OG1 3.04Å; N50-T53 PolarHBondContact OD1-N 3.4Å; N50-T53 PolarHBondContact OD1-OG1 3.18Å; T53-E62 HydrophobicContact CG2-CG 3.44Å; T53-E62 VanDerWaalsContact CG2-CG 3.44Å; T53-E64 PolarHBondContact OG1-OE2 2.98Å
54T96Very high92.5Very high0 Ų039.4 Ų39.40%022%0.216CC..EExtended strand (participates in β ladder)trans-131.1155.7176.466.40000111.1L22 W25 M38 Y44 E62 L63 W66L22-T54 HydrophobicContact CD2-CG2 4.13Å; W25-T54 HydrophobicContact CH2-CG2 3.41Å; W25-T54 VanDerWaalsContact CH2-CG2 3.41Å; W25-T54 HydrophobicContact CZ2-CG2 4.29Å; W25-T54 HydrophobicContact CZ3-CG2 3.62Å; M38-T54 HydrophobicContact CE-CG2 3.29Å; M38-T54 WeakPolarHBondContact CE-OG1 3.03Å; Y44-T54 CarbonylContact O-C 3.56Å; Y44-T54 WeakPolarHBondContact O-CA 3.37Å; T54-E62 CarbonylContact O-C 3.37Å; T54-E62 VanDerWaalsContact O-CA 3.31Å; T54-E62 WeakPolarHBondContact O-CA 3.47Å; T54-L63 PolarHBondContact N-O 3.49Å; T54-L63 PolarHBondContact O-N 2.81Å; T54-L63 PolarHBondContact OG1-O 3.14Å; T54-W66 WeakPolarHBondContact OG1-CZ2 3.44Å; T54-W66 PolarHBondContact OG1-NE1 3.5Å; T54-W66 VanDerWaalsContact OG1-NE1 3.12Å
55Q96.6Very high92Very high12 Ų1241.8 Ų41.86%0.05624%0.241CC..EExtended strand (participates in β ladder)trans-138.8138.1-178.3-169.4175.488.600109.9F43 Y44 P46 K61 E62F43-Q55 WeakPolarHBondContact CA-O 2.94Å; Y44-Q55 WeakPolarHBondContact CD1-O 3.35Å; Y44-Q55 HydrophobicContact CE1-CB 4.07Å; Y44-Q55 HydrophobicContact CE1-CG 4.4Å; Y44-Q55 WeakPolarHBondContact CE1-O 3.48Å; Y44-Q55 PolarHBondContact N-O 3.15Å; Y44-Q55 PolarHBondContact O-N 3.42Å; Y44-Q55 PolarHBondContact OH-OE1 3.01Å; P46-Q55 HydrophobicContact CB-CB 4.3Å; P46-Q55 HydrophobicContact CG-CB 3.98Å; Q55-K61 CarbonylContact C-O 3.57Å; Q55-K61 VanDerWaalsContact CA-O 3.3Å; Q55-K61 WeakPolarHBondContact CA-O 3.35Å; Q55-E62 HydrophobicContact CG-CB 4.49Å; Q55-E62 PolarHBondContact NE2-OE2 3.49Å
56C97.6Very high91.8Very high0 Ų041 Ų410%024%0.239CC..EExtended strand (participates in β ladder)trans-69.8133.1172.7176.20000110G42 F43 V58 C59 M60 K61 H98G42-C56 WeakPolarHBondContact O-CA 3.36Å; F43-C56 HydrophobicContact CD1-CB 4.4Å; F43-C56 HydrophobicContact CE1-CB 4.18Å; C56-V58 VanDerWaalsContact C-N 3.28Å; C56-V58 PolarHBondContact O-N 3.03Å; C56-V58 PolarHBondContact SG-N 3.1Å; C56-V58 VanDerWaalsContact SG-N 3.38Å; C56-C59 WeakPolarHBondContact CB-SG 3.31Å; C56-M60 WeakPolarHBondContact O-CA 3.38Å; C56-M60 PolarHBondContact O-N 2.97Å; C56-M60 VanDerWaalsContact O-N 3.12Å; C56-K61 PolarHBondContact N-O 3.34Å; C56-H98 PolarHBondContact SG-CE1 3.49Å; C56-H98 PolarHBondContact SG-NE2 2.93Å
57F96.5Very high91.4Very high1 Ų144.7 Ų44.70%0.00425%0.253CS..THydrogen-bonded Turntrans-64.2-29179.180-71.1000114.1L12 G42 Y44 F107 R128L12-F57 HydrophobicContact CB-CB 3.94Å; L12-F57 HydrophobicContact CB-CD2 4.49Å; L12-F57 HydrophobicContact CD1-CB 4.45Å; G42-F57 VanDerWaalsContact O-CD1 3.31Å; G42-F57 WeakPolarHBondContact O-CD1 3.25Å; G42-F57 PolarHBondContact O-N 3.35Å; Y44-F57 HydrophobicContact CD1-CB 4.1Å; Y44-F57 HydrophobicContact CE1-CB 4.21Å; F57-F107 HydrophobicContact CE1-CD1 4.19Å; F57-F107 AromaticContact CE1-CD2 3.51Å; F57-F107 HydrophobicContact CE1-CD2 3.51Å; F57-F107 HydrophobicContact CE1-CE1 4.25Å; F57-F107 AromaticContact CE1-CE2 3.58Å; F57-F107 HydrophobicContact CE1-CE2 3.58Å; F57-F107 AromaticContact CE1-CG 3.82Å; F57-F107 HydrophobicContact CE1-CG 3.82Å; F57-F107 AromaticContact CE1-CZ 3.95Å; F57-F107 HydrophobicContact CE1-CZ 3.95Å; F57-F107 AromaticContact CZ-CD2 3.56Å; F57-F107 HydrophobicContact CZ-CD2 3.56Å; F57-F107 AromaticContact CZ-CE2 3.68Å; F57-F107 HydrophobicContact CZ-CE2 3.68Å; F57-F107 HydrophobicContact CZ-CG 4.27Å; F57-F107 HydrophobicContact CZ-CZ 4.46Å; F57-R128 WeakPolarHBondContact O-CD 3.48Å; F57-R128 WeakPolarHBondContact O-CG 3.49Å
58V95.7Very high90.9Very high0 Ų042.6 Ų42.60%024%0.244CC..THydrogen-bonded Turntrans-91-61.3-176.9-179.90000112.2C56 P106 F107 M124 R128C56-V58 VanDerWaalsContact C-N 3.28Å; C56-V58 PolarHBondContact O-N 3.03Å; C56-V58 PolarHBondContact SG-N 3.1Å; C56-V58 VanDerWaalsContact SG-N 3.38Å; V58-P106 HydrophobicContact CG1-CB 4.23Å; V58-P106 HydrophobicContact CG1-CG 4.14Å; V58-F107 HydrophobicContact CB-CB 4.18Å; V58-F107 HydrophobicContact CG2-CB 3.91Å; V58-F107 HydrophobicContact CG2-CD2 4.45Å; V58-F107 HydrophobicContact CG2-CG 4.41Å; V58-M124 HydrophobicContact CG1-SD 3.91Å; V58-M124 HydrophobicContact CG2-CG 4.3Å; V58-M124 HydrophobicContact CG2-SD 3.83Å; V58-R128 HydrophobicContact CG1-CB 4.46Å
59C95.2Very high90.2Very high23 Ų2341.3 Ų41.316%0.15523%0.234CC..THydrogen-bonded Turntrans-86.1-5.4-173.768.40000114.1C56 K61 S102 C105C56-C59 WeakPolarHBondContact CB-SG 3.31Å; C59-K61 PolarHBondContact O-N 3.4Å; C59-K61 VanDerWaalsContact SG-CB 3.56Å; C59-S102 WeakPolarHBondContact CB-OG 3.49Å; C59-S102 PolarHBondContact SG-OG 3.15Å; C59-S102 VanDerWaalsContact SG-OG 3.4Å; C59-C105 HydrophobicContact CB-CB 3.81Å; C59-C105 VanDerWaalsContact CB-SG 3.6Å
60M94.3Very high89Confident11 Ų1138.5 Ų38.55%0.05421%0.213CC..  trans60.414.6179.6-58.6-64.6-65.400114.8R9 C56 E62 T131 Y132 K135R9-M60 PolarHBondContact NH2-SD 3.28Å; C56-M60 WeakPolarHBondContact O-CA 3.38Å; C56-M60 PolarHBondContact O-N 2.97Å; C56-M60 VanDerWaalsContact O-N 3.12Å; M60-E62 PolarHBondContact O-N 2.94Å; M60-T131 HydrophobicContact CB-CG2 4.4Å; M60-T131 HydrophobicContact CG-CG2 4.01Å; M60-Y132 HydrophobicContact CE-CD2 3.75Å; M60-Y132 HydrophobicContact CE-CE2 4.33Å; M60-Y132 HydrophobicContact SD-CD2 4.31Å; M60-K135 HydrophobicContact CB-CD 3.96Å; M60-K135 HydrophobicContact CE-CD 4.29Å; M60-K135 PolarHBondContact O-NZ 3.04Å
61K95.7Very high87.6Confident82 Ų8238.2 Ų38.236%0.35722%0.215SC..  trans-68.3124.8174-174.259.4169.9170.20108.6Q55 C56 C59 L63 H101Q55-K61 CarbonylContact C-O 3.57Å; Q55-K61 VanDerWaalsContact CA-O 3.3Å; Q55-K61 WeakPolarHBondContact CA-O 3.35Å; C56-K61 PolarHBondContact N-O 3.34Å; C59-K61 PolarHBondContact O-N 3.4Å; C59-K61 VanDerWaalsContact SG-CB 3.56Å; K61-L63 HydrophobicContact CG-CD2 4.27Å; K61-L63 HydrophobicContact CG-CG 4.46Å; K61-H101 HydrophobicContact CD-CB 4.5Å; K61-H101 HydrophobicContact CG-CB 4.11Å
62E95.7Very high86.1Confident92 Ų9238.8 Ų38.843%0.4322%0.221SC..EExtended strand (participates in β ladder)trans-99.8136178.4-168162.8120.300109.2T53 T54 Q55 M60T53-E62 HydrophobicContact CG2-CG 3.44Å; T53-E62 VanDerWaalsContact CG2-CG 3.44Å; T54-E62 CarbonylContact O-C 3.37Å; T54-E62 VanDerWaalsContact O-CA 3.31Å; T54-E62 WeakPolarHBondContact O-CA 3.47Å; Q55-E62 HydrophobicContact CG-CB 4.49Å; Q55-E62 PolarHBondContact NE2-OE2 3.49Å; M60-E62 PolarHBondContact O-N 2.94Å
63L95.3Very high84.4Confident18 Ų1843.8 Ų43.89%0.09424%0.241CC..EExtended strand (participates in β ladder)trans-138.2140.5-179.8-59.9178.3000109F43 T54 K61 W66 E97 H101F43-L63 HydrophobicContact CE1-CD1 3.87Å; F43-L63 HydrophobicContact CE1-CG 4.37Å; F43-L63 HydrophobicContact CZ-CD1 3.69Å; T54-L63 PolarHBondContact N-O 3.49Å; T54-L63 PolarHBondContact O-N 2.81Å; T54-L63 PolarHBondContact OG1-O 3.14Å; K61-L63 HydrophobicContact CG-CD2 4.27Å; K61-L63 HydrophobicContact CG-CG 4.46Å; L63-W66 HydrophobicContact CB-CZ2 3.76Å; L63-W66 HydrophobicContact CD1-CH2 3.98Å; L63-W66 HydrophobicContact CD1-CZ2 3.88Å; L63-W66 HydrophobicContact CG-CZ2 4.47Å; L63-E97 HydrophobicContact CD1-CB 4.19Å; L63-H101 HydrophobicContact CD2-CB 3.92Å
64E92.7Very high82.4Confident133 Ų13343.7 Ų43.762%0.62124%0.241SC*.  trans-141.2172.1178.565-178.3-18000109.5T53T53-E64 PolarHBondContact OG1-OE2 2.98Å
65G87.7Confident80.2Confident52 Ų5250.5 Ų50.554%0.53628%0.277SS..  trans7825.7178.500000114.9E67G65-E67 PolarHBondContact O-N 3.22Å
66W90Very high78.3Confident7 Ų757.5 Ų57.53%0.02731%0.309CS..  trans-57128.8179.9-62.891000112.7W25 Y27 C33 M38 F43 T54 L63 D92 P94 E97W25-W66 AromaticContact CH2-CD1 3.77Å; W25-W66 HydrophobicContact CH2-CG 4.42Å; W25-W66 HydrophobicContact CZ2-CB 4.48Å; W25-W66 AromaticContact CZ2-CD1 3.98Å; W25-W66 HydrophobicContact CZ2-CG 4.19Å; Y27-W66 HydrophobicContact CD2-CB 4.35Å; Y27-W66 HydrophobicContact CE2-CB 3.69Å; Y27-W66 WeakPolarHBondContact CE2-O 3.24Å; Y27-W66 PolarHBondContact OH-O 2.99Å; C33-W66 HydrophobicContact CB-CE3 4.03Å; M38-W66 HydrophobicContact CE-CD2 3.88Å; M38-W66 HydrophobicContact CE-CE3 4.39Å; M38-W66 HydrophobicContact CE-CG 4.47Å; M38-W66 HydrophobicContact CE-CH2 3.95Å; M38-W66 HydrophobicContact CE-CZ2 3.35Å; M38-W66 HydrophobicContact CE-CZ3 4.43Å; M38-W66 HydrophobicContact SD-CD2 4.03Å; M38-W66 HydrophobicContact SD-CE3 3.99Å; M38-W66 HydrophobicContact SD-CH2 3.87Å; M38-W66 HydrophobicContact SD-CZ2 3.9Å; M38-W66 HydrophobicContact SD-CZ3 3.91Å; F43-W66 HydrophobicContact CD2-CH2 4.45Å; F43-W66 HydrophobicContact CE1-CZ2 4.49Å; F43-W66 HydrophobicContact CE2-CH2 4.03Å; F43-W66 HydrophobicContact CE2-CZ2 4.38Å; F43-W66 HydrophobicContact CZ-CH2 4.23Å; F43-W66 HydrophobicContact CZ-CZ2 4.36Å; T54-W66 WeakPolarHBondContact OG1-CZ2 3.44Å; T54-W66 PolarHBondContact OG1-NE1 3.5Å; T54-W66 VanDerWaalsContact OG1-NE1 3.12Å; L63-W66 HydrophobicContact CB-CZ2 3.76Å; L63-W66 HydrophobicContact CD1-CH2 3.98Å; L63-W66 HydrophobicContact CD1-CZ2 3.88Å; L63-W66 HydrophobicContact CG-CZ2 4.47Å; W66-D92 VanDerWaalsContact CA-OD2 3.26Å; W66-D92 WeakPolarHBondContact CA-OD2 3.45Å; W66-D92 HydrophobicContact CE3-CB 3.66Å; W66-D92 HydrophobicContact CZ3-CB 4.09Å; W66-P94 HydrophobicContact CH2-CB 4.14Å; W66-P94 HydrophobicContact CZ3-CB 4.06Å; W66-P94 HydrophobicContact CZ3-CG 4.04Å; W66-E97 HydrophobicContact CH2-CB 3.83Å; W66-E97 HydrophobicContact CH2-CG 4.25Å; W66-E97 HydrophobicContact CZ3-CB 3.86Å; W66-E97 HydrophobicContact CZ3-CG 3.78Å
67E84.2Confident76.4Confident109 Ų10960.3 Ų60.351%0.50932%0.324SS..  trans-97.9113.6179.9-62.9-172.7179.300110.5G65 D92G65-E67 PolarHBondContact O-N 3.22Å; E67-D92 PolarHBondContact N-OD2 3.5Å; E67-D92 PolarHBondContact O-N 2.88Å; E67-D92 VanDerWaalsContact O-N 3.17Å
68P79Confident74.9Confident37 Ų3764 Ų6424%0.2435%0.348CS..  trans-77.8169.5174.234.8-37000111.5Y27 V70Y27-P68 HydrophobicContact CD1-CB 3.49Å; Y27-P68 VanDerWaalsContact CD1-CB 3.49Å; Y27-P68 HydrophobicContact CD1-CG 3.51Å; Y27-P68 HydrophobicContact CE1-CB 3.99Å; Y27-P68 HydrophobicContact CE1-CG 3.51Å; Y27-P68 HydrophobicContact CG-CB 3.88Å; Y27-P68 HydrophobicContact CG-CG 4.34Å; P68-V70 PolarHBondContact O-N 2.82Å
69D68.1Low73.3Confident26 Ų2670.7 Ų70.714%0.13938%0.383CS..  trans-54.1112.4161.3-171.213.6000109.8S71 Q91D69-S71 VanDerWaalsContact CG-OG 3.26Å; D69-S71 PolarHBondContact O-N 3.39Å; D69-S71 PolarHBondContact OD1-N 2.92Å; D69-S71 VanDerWaalsContact OD2-CB 3.26Å; D69-S71 WeakPolarHBondContact OD2-CB 3.2Å; D69-S71 PolarHBondContact OD2-OG 2.85Å; D69-Q91 HydrophobicContact CB-CG 4.02Å; D69-Q91 VanDerWaalsContact CB-NE2 3.27Å; D69-Q91 PolarHBondContact OD1-NE2 3.32Å
70V61.1Low72.1Confident40 Ų4075.2 Ų75.224%0.24242%0.415CS..THydrogen-bonded Turntrans-78.527.2175.4-670000111.7P68 S72 H73 A74 Q87P68-V70 PolarHBondContact O-N 2.82Å; V70-S72 PolarHBondContact O-N 3.17Å; V70-H73 HydrophobicContact CB-CB 4.35Å; V70-H73 CarbonylContact O-C 3.49Å; V70-H73 PolarHBondContact O-N 3.3Å; V70-A74 WeakPolarHBondContact O-CB 3.01Å; V70-A74 PolarHBondContact O-N 2.92Å; V70-Q87 HydrophobicContact CG2-CB 3.64Å; V70-Q87 HydrophobicContact CG2-CG 4.18Å
71S55.5Low70.5Confident50 Ų5076.3 Ų76.335%0.3542%0.423SS..Hα-helixtrans-55.5-19.9178.447.70000113.5D69 L75D69-S71 VanDerWaalsContact CG-OG 3.26Å; D69-S71 PolarHBondContact O-N 3.39Å; D69-S71 PolarHBondContact OD1-N 2.92Å; D69-S71 VanDerWaalsContact OD2-CB 3.26Å; D69-S71 WeakPolarHBondContact OD2-CB 3.2Å; D69-S71 PolarHBondContact OD2-OG 2.85Å; S71-L75 WeakPolarHBondContact O-CD1 3.25Å; S71-L75 WeakPolarHBondContact O-CG 3.07Å
72S51.2Low69.2Low82 Ų8277.1 Ų77.157%0.57344%0.439SS*.Hα-helixtrans-80.2-27.3169.958.50000115.2V70V70-S72 PolarHBondContact O-N 3.17Å
73H51.5Low67.6Low140 Ų14077.2 Ų77.265%0.64844%0.442SS*.Hα-helixtrans-94.2-26174-78.2-76.5000113V70 L75 Q76V70-H73 HydrophobicContact CB-CB 4.35Å; V70-H73 CarbonylContact O-C 3.49Å; V70-H73 PolarHBondContact O-N 3.3Å; H73-L75 PolarHBondContact O-N 2.98Å; H73-Q76 PolarHBondContact O-N 3.33Å
74A50.4Low65.8Low2 Ų279.4 Ų79.42%0.01745%0.45CS..Hα-helixtrans-69.2-22.817500000112V70 Q76 L77 Y84V70-A74 WeakPolarHBondContact O-CB 3.01Å; V70-A74 PolarHBondContact O-N 2.92Å; A74-Q76 PolarHBondContact O-N 2.99Å; A74-L77 PolarHBondContact O-N 3.39Å; A74-Y84 HydrophobicContact CB-CD2 3.83Å; A74-Y84 HydrophobicContact CB-CE2 3.73Å
75L51.2Low64.2Low144 Ų14479.9 Ų79.975%0.75445%0.452SS*.THydrogen-bonded Turntrans-66.7-16172.4-75.5167.8000113.7S71 H73S71-L75 WeakPolarHBondContact O-CD1 3.25Å; S71-L75 WeakPolarHBondContact O-CG 3.07Å; H73-L75 PolarHBondContact O-N 2.98Å
76Q56.1Low62.9Low158 Ų15884.3 Ų84.374%0.73845%0.454SS*.THydrogen-bonded Turntrans-85.6-12.2170.3-108.488.40.500113.3H73 A74H73-Q76 PolarHBondContact O-N 3.33Å; A74-Q76 PolarHBondContact O-N 2.99Å
77L57.8Low61.2Low59 Ų5987.4 Ų87.431%0.30947%0.468SS..SBendtrans-100.5136.5-176.6-67.2173.6000110.5A74 L79A74-L77 PolarHBondContact O-N 3.39Å; L77-L79 PolarHBondContact O-N 2.85Å
78P65.2Low60Low78 Ų7885.1 Ų85.151%0.50646%0.459SS..  trans-57.3137.8177.1-20.930.4000110.8S80 C81P78-S80 PolarHBondContact O-N 3.39Å; P78-C81 WeakPolarHBondContact O-CB 3.45Å; P78-C81 PolarHBondContact O-N 3.04Å
79L61.6Low59.1Low141 Ų14189.9 Ų89.974%0.73848%0.482SS*.THydrogen-bonded Turntrans-56.3-20174.1-69.5170.4000113.2L77 C81 Y84L77-L79 PolarHBondContact O-N 2.85Å; L79-C81 VanDerWaalsContact C-N 3.32Å; L79-Y84 HydrophobicContact CD2-CD1 4.16Å; L79-Y84 HydrophobicContact CD2-CE1 3.63Å; L79-Y84 HydrophobicContact CD2-CE2 4.1Å
80S69.1Low59.2Low118 Ų11892 Ų9283%0.82549%0.491SS*.THydrogen-bonded Turntrans-83-4.9175.163.50000114P78P78-S80 PolarHBondContact O-N 3.39Å
81C62.5Low60Low35 Ų3591.9 Ų91.924%0.23649%0.488CS..  trans-79.9122.3179-167.60000109P78 L79 L83 Y84P78-C81 WeakPolarHBondContact O-CB 3.45Å; P78-C81 PolarHBondContact O-N 3.04Å; L79-C81 VanDerWaalsContact C-N 3.32Å; C81-L83 PolarHBondContact O-N 2.82Å; C81-L83 VanDerWaalsContact SG-CB 3.6Å; C81-Y84 VanDerWaalsContact O-CB 3.25Å; C81-Y84 WeakPolarHBondContact O-CB 3.13Å; C81-Y84 PolarHBondContact O-N 2.95Å
82S67.3Low61.6Low99 Ų9991 Ų9169%0.69248%0.479SS*.Hα-helixtrans-56.6-19.4173.453.10000113.3Y84 Y86S82-Y84 VanDerWaalsContact C-N 3.33Å; S82-Y86 PolarHBondContact O-N 3.24Å
83L63Low63.5Low93 Ų9389 Ų8949%0.48746%0.462SS..Hα-helixtrans-70.6-25.7172.9-59.2179.5000113.3C81 Y86 Q87C81-L83 PolarHBondContact O-N 2.82Å; C81-L83 VanDerWaalsContact SG-CB 3.6Å; L83-Y86 PolarHBondContact O-N 3.38Å; L83-Q87 WeakPolarHBondContact O-CB 3.3Å; L83-Q87 WeakPolarHBondContact O-CG 3.49Å; L83-Q87 PolarHBondContact O-N 3.11Å; L83-Q87 PolarHBondContact O-OE1 3.48Å
84Y57.1Low65.6Low65 Ų6582.4 Ų82.426%0.25543%0.431SS..Hα-helixtrans-64.1-46.7177.1-178.9-99.8000111.1A74 L79 C81 S82 Q87 L88A74-Y84 HydrophobicContact CB-CD2 3.83Å; A74-Y84 HydrophobicContact CB-CE2 3.73Å; L79-Y84 HydrophobicContact CD2-CD1 4.16Å; L79-Y84 HydrophobicContact CD2-CE1 3.63Å; L79-Y84 HydrophobicContact CD2-CE2 4.1Å; C81-Y84 VanDerWaalsContact O-CB 3.25Å; C81-Y84 WeakPolarHBondContact O-CB 3.13Å; C81-Y84 PolarHBondContact O-N 2.95Å; S82-Y84 VanDerWaalsContact C-N 3.33Å; Y84-Q87 PolarHBondContact O-N 3.04Å; Y84-L88 HydrophobicContact CD1-CD1 3.9Å; Y84-L88 HydrophobicContact CE1-CD1 3.34Å; Y84-L88 HydrophobicContact CE1-CG 4.39Å; Y84-L88 HydrophobicContact CE2-CD1 4.35Å; Y84-L88 WeakPolarHBondContact O-CG 3.47Å; Y84-L88 PolarHBondContact O-N 3.22Å; Y84-L88 VanDerWaalsContact O-N 3.1Å
85E58.3Low67.7Low143 Ų14386.5 Ų86.567%0.66845%0.453SS*.Hα-helixtrans-68.3-36.6176.5-169.4168.9-164.900111.6L89E85-L89 PolarHBondContact O-N 2.87Å
86Y60Low69.7Low145 Ų14586 Ų8657%0.56944%0.444SS*.Hα-helixtrans-60.2-54.3172.9-167.3-98.1000110.4S82 L83 L88 L89 H90S82-Y86 PolarHBondContact O-N 3.24Å; L83-Y86 PolarHBondContact O-N 3.38Å; Y86-L88 PolarHBondContact O-N 3.06Å; Y86-L89 WeakPolarHBondContact O-CB 3.27Å; Y86-L89 PolarHBondContact O-N 3.24Å; Y86-H90 AromaticContact CD1-CE1 3.67Å; Y86-H90 AromaticContact CD1-ND1 3.87Å; Y86-H90 AromaticContact CD2-CE1 3.4Å; Y86-H90 VanDerWaalsContact CD2-CE1 3.4Å; Y86-H90 WeakPolarHBondContact CD2-CE1 3.45Å; Y86-H90 AromaticContact CE1-CE1 3.51Å; Y86-H90 AromaticContact CE1-ND1 3.94Å; Y86-H90 AromaticContact CE1-NE2 3.67Å; Y86-H90 AromaticContact CE2-CE1 3.21Å; Y86-H90 WeakPolarHBondContact CE2-CE1 3.49Å; Y86-H90 AromaticContact CE2-NE2 3.47Å; Y86-H90 WeakPolarHBondContact CE2-NE2 3.42Å; Y86-H90 AromaticContact CG-CE1 3.62Å; Y86-H90 AromaticContact CZ-CE1 3.27Å; Y86-H90 AromaticContact CZ-NE2 3.2Å; Y86-H90 PolarHBondContact O-CE1 3.36Å; Y86-H90 PolarHBondContact O-ND1 3.42Å; Y86-H90 PolarHBondContact OH-NE2 2.63Å
87Q55.9Low71.6Confident71 Ų7180.8 Ų80.833%0.33242%0.42SS..Hα-helixtrans-66.2-31.7-175.9-81.5164.1-28.500114.5V70 L83 Y84 L89V70-Q87 HydrophobicContact CG2-CB 3.64Å; V70-Q87 HydrophobicContact CG2-CG 4.18Å; L83-Q87 WeakPolarHBondContact O-CB 3.3Å; L83-Q87 WeakPolarHBondContact O-CG 3.49Å; L83-Q87 PolarHBondContact O-N 3.11Å; L83-Q87 PolarHBondContact O-OE1 3.48Å; Y84-Q87 PolarHBondContact O-N 3.04Å; Q87-L89 PolarHBondContact O-N 2.65Å
88L57.5Low73.5Confident61 Ų6178 Ų7832%0.31941%0.406SS..Hα-helixtrans-67.3-24.1172.1-76.8175.6000113.2Y84 Y86Y84-L88 HydrophobicContact CD1-CD1 3.9Å; Y84-L88 HydrophobicContact CE1-CD1 3.34Å; Y84-L88 HydrophobicContact CE1-CG 4.39Å; Y84-L88 HydrophobicContact CE2-CD1 4.35Å; Y84-L88 WeakPolarHBondContact O-CG 3.47Å; Y84-L88 PolarHBondContact O-N 3.22Å; Y84-L88 VanDerWaalsContact O-N 3.1Å; Y86-L88 PolarHBondContact O-N 3.06Å
89L61.5Low75Confident137 Ų13781.1 Ų81.172%0.71741%0.411SS*.Hα-helixtrans-83.5-22.1-177.2-131.489.6000114E85 Y86 Q87 Q91E85-L89 PolarHBondContact O-N 2.87Å; Y86-L89 WeakPolarHBondContact O-CB 3.27Å; Y86-L89 PolarHBondContact O-N 3.24Å; Q87-L89 PolarHBondContact O-N 2.65Å; L89-Q91 VanDerWaalsContact C-N 3.32Å; L89-Q91 PolarHBondContact O-N 2.7Å
90H69.7Low76.6Confident70 Ų7078.4 Ų78.432%0.32440%0.404SS..  trans-97.438.2-169.5-65.168.9000112.4Y86Y86-H90 AromaticContact CD1-CE1 3.67Å; Y86-H90 AromaticContact CD1-ND1 3.87Å; Y86-H90 AromaticContact CD2-CE1 3.4Å; Y86-H90 VanDerWaalsContact CD2-CE1 3.4Å; Y86-H90 WeakPolarHBondContact CD2-CE1 3.45Å; Y86-H90 AromaticContact CE1-CE1 3.51Å; Y86-H90 AromaticContact CE1-ND1 3.94Å; Y86-H90 AromaticContact CE1-NE2 3.67Å; Y86-H90 AromaticContact CE2-CE1 3.21Å; Y86-H90 WeakPolarHBondContact CE2-CE1 3.49Å; Y86-H90 AromaticContact CE2-NE2 3.47Å; Y86-H90 WeakPolarHBondContact CE2-NE2 3.42Å; Y86-H90 AromaticContact CG-CE1 3.62Å; Y86-H90 AromaticContact CZ-CE1 3.27Å; Y86-H90 AromaticContact CZ-NE2 3.2Å; Y86-H90 PolarHBondContact O-CE1 3.36Å; Y86-H90 PolarHBondContact O-ND1 3.42Å; Y86-H90 PolarHBondContact OH-NE2 2.63Å
91Q77.7Confident77.9Confident39 Ų3976.9 Ų76.918%0.18238%0.384CS..  trans-82.8129.4172.1-65.9-175.63700110.1L32 D69 L89 D93L32-Q91 HydrophobicContact CB-CB 4.18Å; L32-Q91 HydrophobicContact CD1-CB 3.92Å; L32-Q91 HydrophobicContact CG-CB 4.08Å; D69-Q91 HydrophobicContact CB-CG 4.02Å; D69-Q91 VanDerWaalsContact CB-NE2 3.27Å; D69-Q91 PolarHBondContact OD1-NE2 3.32Å; L89-Q91 VanDerWaalsContact C-N 3.32Å; L89-Q91 PolarHBondContact O-N 2.7Å; Q91-D93 PolarHBondContact O-N 2.9Å
92D88.7Confident79.5Confident32 Ų3276.3 Ų76.317%0.17138%0.38CS..  trans-71.9120.6177-72.1-26.7000111L32 C33 W66 E67 P94 E97L32-D92 CarbonylContact C-O 3.59Å; L32-D92 VanDerWaalsContact CB-O 3.24Å; L32-D92 WeakPolarHBondContact CB-O 3.48Å; C33-D92 PolarHBondContact N-O 2.95Å; W66-D92 VanDerWaalsContact CA-OD2 3.26Å; W66-D92 WeakPolarHBondContact CA-OD2 3.45Å; W66-D92 HydrophobicContact CE3-CB 3.66Å; W66-D92 HydrophobicContact CZ3-CB 4.09Å; E67-D92 PolarHBondContact N-OD2 3.5Å; E67-D92 PolarHBondContact O-N 2.88Å; E67-D92 VanDerWaalsContact O-N 3.17Å; D92-P94 WeakPolarHBondContact O-CD 3.39Å; D92-E97 HydrophobicContact CB-CG 4.26Å
93D91.3Very high80.9Confident40 Ų4075.5 Ų75.521%0.21437%0.372CS..  trans-94112.7168.8-178.2-19000108.7L32 Q91 D95 K96 E97L32-D93 HydrophobicContact CD1-CB 4.26Å; Q91-D93 PolarHBondContact O-N 2.9Å; D93-D95 PolarHBondContact O-N 2.91Å; D93-D95 VanDerWaalsContact O-N 3.1Å; D93-D95 PolarHBondContact OD1-N 2.88Å; D93-K96 HydrophobicContact CB-CB 4.01Å; D93-K96 HydrophobicContact CB-CD 3.8Å; D93-K96 HydrophobicContact CB-CG 3.82Å; D93-K96 PolarHBondContact O-N 3.45Å; D93-K96 VanDerWaalsContact OD2-CE 3.31Å; D93-K96 WeakPolarHBondContact OD2-CE 3.27Å; D93-E97 PolarHBondContact O-N 3.33Å
94P95.2Very high82.5Confident0 Ų080.2 Ų80.20%039%0.389CS..Hα-helixtrans-56.9-31.2-176.1-26.336.3000114.1L32 C33 K37 M38 S41 F43 W66 D92 H98L32-P94 WeakPolarHBondContact O-CD 2.89Å; C33-P94 HydrophobicContact CB-CG 4.21Å; K37-P94 HydrophobicContact CB-CG 4.37Å; M38-P94 HydrophobicContact CG-CG 4.12Å; M38-P94 HydrophobicContact SD-CB 3.65Å; M38-P94 HydrophobicContact SD-CG 3.32Å; M38-P94 WeakPolarHBondContact SD-CG 3.43Å; S41-P94 WeakPolarHBondContact OG-CB 3.46Å; F43-P94 HydrophobicContact CD2-CB 4.19Å; F43-P94 HydrophobicContact CE2-CB 4.17Å; F43-P94 WeakPolarHBondContact CE2-O 3.24Å; W66-P94 HydrophobicContact CH2-CB 4.14Å; W66-P94 HydrophobicContact CZ3-CB 4.06Å; W66-P94 HydrophobicContact CZ3-CG 4.04Å; D92-P94 WeakPolarHBondContact O-CD 3.39Å; P94-H98 WeakPolarHBondContact O-CB 3.39Å; P94-H98 PolarHBondContact O-N 3.32Å
95D94.4Very high84.3Confident88 Ų8877.2 Ų77.247%0.47138%0.378SS..Hα-helixtrans-70.7-38.4176.3-77.2-28.5000111.7S41 D93 K99S41-D95 WeakPolarHBondContact CA-OD1 3.47Å; S41-D95 WeakPolarHBondContact CB-OD1 3.37Å; S41-D95 PolarHBondContact OG-N 3.45Å; S41-D95 PolarHBondContact OG-OD1 3.3Å; D93-D95 PolarHBondContact O-N 2.91Å; D93-D95 VanDerWaalsContact O-N 3.1Å; D93-D95 PolarHBondContact OD1-N 2.88Å; D95-K99 WeakPolarHBondContact O-CB 3.2Å; D95-K99 PolarHBondContact O-N 3.27Å
96K94.3Very high86Confident133 Ų13372.8 Ų72.858%0.57836%0.361SS*.Hα-helixtrans-69.5-44.6176.7-64.2-177.8-167.5165.40111D93 H98 K99 S100D93-K96 HydrophobicContact CB-CB 4.01Å; D93-K96 HydrophobicContact CB-CD 3.8Å; D93-K96 HydrophobicContact CB-CG 3.82Å; D93-K96 PolarHBondContact O-N 3.45Å; D93-K96 VanDerWaalsContact OD2-CE 3.31Å; D93-K96 WeakPolarHBondContact OD2-CE 3.27Å; K96-H98 VanDerWaalsContact C-N 3.35Å; K96-H98 PolarHBondContact O-N 3.23Å; K96-K99 PolarHBondContact O-N 3.17Å; K96-S100 WeakPolarHBondContact O-CB 3.39Å; K96-S100 PolarHBondContact O-N 3.23Å
97E95.4Very high87.7Confident49 Ų4966.5 Ų66.523%0.22934%0.337CS..Hα-helixtrans-61.7-44.4177.4-70.7-47.1109.800111.3L63 W66 D92 D93 K99 S100 H101L63-E97 HydrophobicContact CD1-CB 4.19Å; W66-E97 HydrophobicContact CH2-CB 3.83Å; W66-E97 HydrophobicContact CH2-CG 4.25Å; W66-E97 HydrophobicContact CZ3-CB 3.86Å; W66-E97 HydrophobicContact CZ3-CG 3.78Å; D92-E97 HydrophobicContact CB-CG 4.26Å; D93-E97 PolarHBondContact O-N 3.33Å; E97-K99 PolarHBondContact O-N 3.46Å; E97-S100 PolarHBondContact O-N 3.21Å; E97-H101 WeakPolarHBondContact O-CB 3.49Å; E97-H101 PolarHBondContact O-CD2 3.09Å; E97-H101 VanDerWaalsContact O-CD2 3.29Å; E97-H101 PolarHBondContact O-N 3.05Å; E97-H101 IonicContact OE2-CD2 3.36Å; E97-H101 PolarHBondContact OE2-CD2 3.32Å; E97-H101 IonicContact OE2-NE2 3.57Å; E97-H101 PolarHBondContact OE2-NE2 3.38Å
98H97Very high89.6Confident2 Ų265.8 Ų65.81%0.00934%0.335CS..Hα-helixtrans-60.1-45.9174.7-167.3172.3000111.6S41 F43 C56 P94 K96 S100 S102 C105 L108S41-H98 PolarHBondContact O-CE1 3.35Å; S41-H98 PolarHBondContact O-ND1 3.14Å; F43-H98 HydrophobicContact CE2-CB 3.83Å; F43-H98 HydrophobicContact CZ-CB 3.72Å; F43-H98 AromaticContact CZ-CG 3.91Å; C56-H98 PolarHBondContact SG-CE1 3.49Å; C56-H98 PolarHBondContact SG-NE2 2.93Å; P94-H98 WeakPolarHBondContact O-CB 3.39Å; P94-H98 PolarHBondContact O-N 3.32Å; K96-H98 VanDerWaalsContact C-N 3.35Å; K96-H98 PolarHBondContact O-N 3.23Å; H98-S100 PolarHBondContact O-N 2.56Å; H98-S102 CarbonylContact O-C 3.58Å; H98-S102 WeakPolarHBondContact O-CA 3.11Å; H98-S102 PolarHBondContact O-N 3.14Å; H98-C105 WeakPolarHBondContact NE2-CB 3.49Å; H98-C105 PolarHBondContact NE2-SG 2.96Å; H98-L108 HydrophobicContact CB-CD2 4.14Å
99K97Very high91.3Very high143 Ų14371.8 Ų71.862%0.62236%0.359SS*.Hα-helixtrans-64.4-38.9178.7-174.4179.3177.4-175.90112.5D95 K96 E97 P103 L108D95-K99 WeakPolarHBondContact O-CB 3.2Å; D95-K99 PolarHBondContact O-N 3.27Å; K96-K99 PolarHBondContact O-N 3.17Å; E97-K99 PolarHBondContact O-N 3.46Å; K99-P103 VanDerWaalsContact O-CA 3.25Å; K99-P103 WeakPolarHBondContact O-CA 3.48Å; K99-P103 VanDerWaalsContact O-CB 3.27Å; K99-P103 WeakPolarHBondContact O-CB 3.42Å; K99-P103 WeakPolarHBondContact O-CD 3.46Å; K99-L108 HydrophobicContact CB-CD1 4.32Å; K99-L108 HydrophobicContact CB-CD2 4.46Å
100S96.4Very high92.7Very high84 Ų8467.2 Ų67.259%0.58734%0.338SS*.Hα-helixtrans-65.3-50.4177.8-175.90000111.3K96 E97 H98K96-S100 WeakPolarHBondContact O-CB 3.39Å; K96-S100 PolarHBondContact O-N 3.23Å; E97-S100 PolarHBondContact O-N 3.21Å; H98-S100 PolarHBondContact O-N 2.56Å
101H96.3Very high93.7Very high85 Ų8567.5 Ų67.539%0.39434%0.338SS..Hα-helixtrans-85.1-19.7-172.6-75.7-69.7000115K61 L63 E97K61-H101 HydrophobicContact CD-CB 4.5Å; K61-H101 HydrophobicContact CG-CB 4.11Å; L63-H101 HydrophobicContact CD2-CB 3.92Å; E97-H101 WeakPolarHBondContact O-CB 3.49Å; E97-H101 PolarHBondContact O-CD2 3.09Å; E97-H101 VanDerWaalsContact O-CD2 3.29Å; E97-H101 PolarHBondContact O-N 3.05Å; E97-H101 IonicContact OE2-CD2 3.36Å; E97-H101 PolarHBondContact OE2-CD2 3.32Å; E97-H101 IonicContact OE2-NE2 3.57Å; E97-H101 PolarHBondContact OE2-NE2 3.38Å
102S96Very high94.4Very high24 Ų2468 Ų6817%0.16834%0.34CS..  trans-148.963.8178-1600000112.3C59 H98 K104 C105 L108C59-S102 WeakPolarHBondContact CB-OG 3.49Å; C59-S102 PolarHBondContact SG-OG 3.15Å; C59-S102 VanDerWaalsContact SG-OG 3.4Å; H98-S102 CarbonylContact O-C 3.58Å; H98-S102 WeakPolarHBondContact O-CA 3.11Å; H98-S102 PolarHBondContact O-N 3.14Å; S102-K104 PolarHBondContact O-N 3Å; S102-C105 VanDerWaalsContact O-CB 3.25Å; S102-C105 WeakPolarHBondContact O-CB 3.49Å; S102-C105 PolarHBondContact O-N 3.21Å; S102-L108 VanDerWaalsContact O-CD1 3.23Å; S102-L108 WeakPolarHBondContact O-CD1 3.37Å
103P96.8Very high94.5Very high81 Ų8169.2 Ų69.253%0.52634%0.343SS..THydrogen-bonded Turntrans-62-18.5-174.623-34000114.2K99K99-P103 VanDerWaalsContact O-CA 3.25Å; K99-P103 WeakPolarHBondContact O-CA 3.48Å; K99-P103 VanDerWaalsContact O-CB 3.27Å; K99-P103 WeakPolarHBondContact O-CB 3.42Å; K99-P103 WeakPolarHBondContact O-CD 3.46Å
104K95.4Very high94.4Very high192 Ų19272.1 Ų72.184%0.83536%0.355SS*.THydrogen-bonded Turntrans-91.3-0.9178.7-64.2-177.8-178.5176.90113.5S102 P106S102-K104 PolarHBondContact O-N 3Å; K104-P106 WeakPolarHBondContact O-CD 3.42Å
105C96Very high94.2Very high2 Ų278.2 Ų78.21%0.01438%0.384CS..  trans-57.4124.8179.6-179.50000110.8C59 H98 S102 F107 L108C59-C105 HydrophobicContact CB-CB 3.81Å; C59-C105 VanDerWaalsContact CB-SG 3.6Å; H98-C105 WeakPolarHBondContact NE2-CB 3.49Å; H98-C105 PolarHBondContact NE2-SG 2.96Å; S102-C105 VanDerWaalsContact O-CB 3.25Å; S102-C105 WeakPolarHBondContact O-CB 3.49Å; S102-C105 PolarHBondContact O-N 3.21Å; C105-F107 PolarHBondContact O-N 3.5Å; C105-F107 VanDerWaalsContact O-N 3.15Å; C105-F107 VanDerWaalsContact SG-CB 3.58Å; C105-F107 PolarHBondContact SG-N 3.04Å; C105-L108 HydrophobicContact CB-CD1 4Å; C105-L108 HydrophobicContact CB-CG 4.08Å; C105-L108 PolarHBondContact O-N 2.88Å
106P94.3Very high94.1Very high51 Ų5175.5 Ų75.533%0.33137%0.369SS..G310 helixtrans-56.9-29.5177.4-27.134.7000113.6V58 K104 L108 K109 M124V58-P106 HydrophobicContact CG1-CB 4.23Å; V58-P106 HydrophobicContact CG1-CG 4.14Å; K104-P106 WeakPolarHBondContact O-CD 3.42Å; P106-L108 VanDerWaalsContact C-N 3.31Å; P106-L108 PolarHBondContact O-N 3.25Å; P106-K109 PolarHBondContact O-N 3.13Å; P106-M124 HydrophobicContact CB-CE 4.15Å; P106-M124 HydrophobicContact CB-SD 3.95Å
107F95.9Very high94Very high12 Ų1272.2 Ų72.25%0.05336%0.36CS..G310 helixtrans-62.2-37.1-179.3-171.5-114.9000112.9K40 S41 F57 V58 C105 K109 S110K40-F107 WeakPolarHBondContact O-CE1 3.38Å; S41-F107 VanDerWaalsContact C-CE1 3.49Å; F57-F107 HydrophobicContact CE1-CD1 4.19Å; F57-F107 AromaticContact CE1-CD2 3.51Å; F57-F107 HydrophobicContact CE1-CD2 3.51Å; F57-F107 HydrophobicContact CE1-CE1 4.25Å; F57-F107 AromaticContact CE1-CE2 3.58Å; F57-F107 HydrophobicContact CE1-CE2 3.58Å; F57-F107 AromaticContact CE1-CG 3.82Å; F57-F107 HydrophobicContact CE1-CG 3.82Å; F57-F107 AromaticContact CE1-CZ 3.95Å; F57-F107 HydrophobicContact CE1-CZ 3.95Å; F57-F107 AromaticContact CZ-CD2 3.56Å; F57-F107 HydrophobicContact CZ-CD2 3.56Å; F57-F107 AromaticContact CZ-CE2 3.68Å; F57-F107 HydrophobicContact CZ-CE2 3.68Å; F57-F107 HydrophobicContact CZ-CG 4.27Å; F57-F107 HydrophobicContact CZ-CZ 4.46Å; V58-F107 HydrophobicContact CB-CB 4.18Å; V58-F107 HydrophobicContact CG2-CB 3.91Å; V58-F107 HydrophobicContact CG2-CD2 4.45Å; V58-F107 HydrophobicContact CG2-CG 4.41Å; C105-F107 PolarHBondContact O-N 3.5Å; C105-F107 VanDerWaalsContact O-N 3.15Å; C105-F107 VanDerWaalsContact SG-CB 3.58Å; C105-F107 PolarHBondContact SG-N 3.04Å; F107-K109 PolarHBondContact O-N 3.44Å; F107-K109 VanDerWaalsContact O-N 3.09Å; F107-S110 WeakPolarHBondContact CA-OG 3.44Å; F107-S110 WeakPolarHBondContact CD2-OG 3.35Å; F107-S110 PolarHBondContact O-N 2.91Å; F107-S110 PolarHBondContact O-OG 3.37Å
108L95.2Very high93.6Very high56 Ų5673.7 Ų73.729%0.29336%0.364SS..G310 helixtrans-61.8-20.7-178-68172.1000113.7H98 K99 S102 C105 P106H98-L108 HydrophobicContact CB-CD2 4.14Å; K99-L108 HydrophobicContact CB-CD1 4.32Å; K99-L108 HydrophobicContact CB-CD2 4.46Å; S102-L108 VanDerWaalsContact O-CD1 3.23Å; S102-L108 WeakPolarHBondContact O-CD1 3.37Å; C105-L108 HydrophobicContact CB-CD1 4Å; C105-L108 HydrophobicContact CB-CG 4.08Å; C105-L108 PolarHBondContact O-N 2.88Å; P106-L108 VanDerWaalsContact C-N 3.31Å; P106-L108 PolarHBondContact O-N 3.25Å
109K92.2Very high93.2Very high188 Ų18877.2 Ų77.282%0.81738%0.381SS*.G310 helixtrans-105.65.6179.1-60.9179.4-176.6177.10112.6P106 F107P106-K109 PolarHBondContact O-N 3.13Å; F107-K109 PolarHBondContact O-N 3.44Å; F107-K109 VanDerWaalsContact O-N 3.09Å
110S91.6Very high93Very high40 Ų4074.4 Ų74.428%0.2837%0.37SS..SBendtrans-114.8160-172.677.50000111.3F107 M124F107-S110 WeakPolarHBondContact CA-OG 3.44Å; F107-S110 WeakPolarHBondContact CD2-OG 3.35Å; F107-S110 PolarHBondContact O-N 2.91Å; F107-S110 PolarHBondContact O-OG 3.37Å; S110-M124 VanDerWaalsContact CB-CE 3.49Å; S110-M124 WeakPolarHBondContact OG-CE 3.4Å
111K91.7Very high92.8Very high77 Ų7770.5 Ų70.534%0.33534%0.342SS..  trans-80.1170.316956.8-171.3161.71620110.6Q115 M116 E120K111-Q115 HydrophobicContact CB-CB 4.33Å; K111-Q115 HydrophobicContact CD-CB 3.89Å; K111-Q115 WeakPolarHBondContact CD-O 3.38Å; K111-Q115 VanDerWaalsContact CE-O 3.27Å; K111-Q115 WeakPolarHBondContact CE-O 3.01Å; K111-Q115 HydrophobicContact CG-CB 4.16Å; K111-Q115 PolarHBondContact NZ-O 2.91Å; K111-M116 HydrophobicContact CD-CG 4.46Å; K111-M116 HydrophobicContact CG-CG 3.84Å; K111-M116 WeakPolarHBondContact O-CE 3.39Å; K111-E120 WeakPolarHBondContact CE-OE1 2.99Å; K111-E120 WeakPolarHBondContact CE-OE2 3.23Å; K111-E120 IonicContact NZ-OE1 2.74Å; K111-E120 PolarHBondContact NZ-OE1 3.18Å; K111-E120 IonicContact NZ-OE2 2.92Å; K111-E120 PolarHBondContact NZ-OE2 2.94Å
112Q91.1Very high92.5Very high48 Ų4868.7 Ų68.722%0.22434%0.335CS..  trans-59.2147.1171.7-64.7-63.2-35.800110.6K40 E114 Q115 M116K40-Q112 PolarHBondContact O-NE2 2.89Å; Q112-E114 PolarHBondContact O-N 3.31Å; Q112-Q115 HydrophobicContact CB-CG 4.49Å; Q112-Q115 WeakPolarHBondContact O-CB 3.43Å; Q112-Q115 PolarHBondContact O-N 3.25Å; Q112-M116 PolarHBondContact O-N 2.99Å
113Y90.6Very high92.2Very high58 Ų5870 Ų7023%0.22735%0.348CS..G310 helixtrans-58.2-36.2-173.4-167.9-90.6000112.1S13 Q115 M116 D125S13-Y113 WeakPolarHBondContact O-CB 3.41Å; Y113-Q115 PolarHBondContact O-N 2.99Å; Y113-Q115 VanDerWaalsContact O-N 3.12Å; Y113-M116 HydrophobicContact CD2-SD 4.22Å; Y113-M116 WeakPolarHBondContact O-CB 3.35Å; Y113-M116 PolarHBondContact O-N 2.99Å; Y113-D125 WeakPolarHBondContact CE2-OD2 3.2Å; Y113-D125 PolarHBondContact OH-OD2 3.49Å
114E89.3Confident92Very high101 Ų10167 Ų6747%0.47233%0.327SS..G310 helixtrans-63.5-18.3177.7-62.580-178.700113.3N14 Y15 Q112N14-E114 WeakPolarHBondContact CA-OE1 3.33Å; Y15-E114 WeakPolarHBondContact CB-OE1 3.47Å; Y15-E114 PolarHBondContact N-OE1 3.5Å; Q112-E114 PolarHBondContact O-N 3.31Å
115Q91.3Very high91.8Very high129 Ų12959 Ų5960%0.60329%0.293SS*.G310 helixtrans-100.6-6.9178-57174.3-7.600112K111 Q112 Y113K111-Q115 HydrophobicContact CB-CB 4.33Å; K111-Q115 HydrophobicContact CD-CB 3.89Å; K111-Q115 WeakPolarHBondContact CD-O 3.38Å; K111-Q115 VanDerWaalsContact CE-O 3.27Å; K111-Q115 WeakPolarHBondContact CE-O 3.01Å; K111-Q115 HydrophobicContact CG-CB 4.16Å; K111-Q115 PolarHBondContact NZ-O 2.91Å; Q112-Q115 HydrophobicContact CB-CG 4.49Å; Q112-Q115 WeakPolarHBondContact O-CB 3.43Å; Q112-Q115 PolarHBondContact O-N 3.25Å; Y113-Q115 PolarHBondContact O-N 2.99Å; Y113-Q115 VanDerWaalsContact O-N 3.12Å
116M91.9Very high91.5Very high30 Ų3059.4 Ų59.415%0.14830%0.296CS..SBendtrans-73.7149.3178.1-65-169-169.200112.3K111 Q112 Y113 E120 M124K111-M116 HydrophobicContact CD-CG 4.46Å; K111-M116 HydrophobicContact CG-CG 3.84Å; K111-M116 WeakPolarHBondContact O-CE 3.39Å; Q112-M116 PolarHBondContact O-N 2.99Å; Y113-M116 HydrophobicContact CD2-SD 4.22Å; Y113-M116 WeakPolarHBondContact O-CB 3.35Å; Y113-M116 PolarHBondContact O-N 2.99Å; M116-E120 HydrophobicContact CB-CB 3.92Å; M116-E120 HydrophobicContact CG-CB 4.18Å; M116-E120 HydrophobicContact SD-CB 4.15Å; M116-M124 HydrophobicContact CE-CE 3.97Å; M116-M124 HydrophobicContact SD-CB 4.39Å
117T91.9Very high91.3Very high65 Ų6560.6 Ų60.640%0.39930%0.297SS..  trans-67.8161.915958.90000109.4E119 E120 G121T117-E119 WeakPolarHBondContact CB-OE2 3.36Å; T117-E119 PolarHBondContact O-N 3.38Å; T117-E120 WeakPolarHBondContact CB-OE2 3.25Å; T117-E120 WeakPolarHBondContact CG2-OE2 3.4Å; T117-E120 PolarHBondContact N-OE2 2.98Å; T117-E120 PolarHBondContact O-N 3.31Å; T117-E120 WeakPolarHBondContact OG1-CB 3.31Å; T117-E120 VanDerWaalsContact OG1-CD 3.24Å; T117-E120 WeakPolarHBondContact OG1-CG 3.48Å; T117-E120 PolarHBondContact OG1-N 3.44Å; T117-E120 PolarHBondContact OG1-OE2 2.88Å; T117-G121 PolarHBondContact O-N 3.12Å
118Y87.7Confident91.1Very high79 Ų7960.1 Ų60.131%0.3130%0.295SS..Hα-helixtrans-64-31.1176.962.4-98.3000111.1L122 L158 L161 P162Y118-L122 VanDerWaalsContact O-CB 3.26Å; Y118-L122 WeakPolarHBondContact O-CB 3.07Å; Y118-L122 WeakPolarHBondContact O-CD1 3.26Å; Y118-L122 WeakPolarHBondContact O-CG 3.37Å; Y118-L122 PolarHBondContact O-N 3.44Å; Y118-L158 HydrophobicContact CD2-CD2 3.83Å; Y118-L158 HydrophobicContact CE2-CD2 3.86Å; Y118-L161 HydrophobicContact CD2-CD1 3.37Å; Y118-L161 HydrophobicContact CE2-CB 3.96Å; Y118-L161 HydrophobicContact CE2-CD1 3.63Å; Y118-L161 HydrophobicContact CE2-CG 4.46Å; Y118-L161 HydrophobicContact CG-CD1 4.09Å; Y118-P162 PolarHBondContact OH-O 3.33Å
119E89.8Confident90.9Very high77 Ų7758.8 Ų58.836%0.3629%0.286SS..Hα-helixtrans-63.4-49.1174.5-6293.5155.200112.1T117 A123 L158T117-E119 WeakPolarHBondContact CB-OE2 3.36Å; T117-E119 PolarHBondContact O-N 3.38Å; E119-A123 WeakPolarHBondContact O-CB 2.94Å; E119-A123 PolarHBondContact O-N 3.2Å; E119-L158 HydrophobicContact CB-CD2 4.41Å; E119-L158 HydrophobicContact CG-CD2 3.92Å
120E91.8Very high90.7Very high84 Ų8449.9 Ų49.939%0.39325%0.248SC..Hα-helixtrans-63.6-44.1177.7-71.4163.3143.400111.6K111 M116 T117 A123 M124K111-E120 WeakPolarHBondContact CE-OE1 2.99Å; K111-E120 WeakPolarHBondContact CE-OE2 3.23Å; K111-E120 IonicContact NZ-OE1 2.74Å; K111-E120 PolarHBondContact NZ-OE1 3.18Å; K111-E120 IonicContact NZ-OE2 2.92Å; K111-E120 PolarHBondContact NZ-OE2 2.94Å; M116-E120 HydrophobicContact CB-CB 3.92Å; M116-E120 HydrophobicContact CG-CB 4.18Å; M116-E120 HydrophobicContact SD-CB 4.15Å; T117-E120 WeakPolarHBondContact CB-OE2 3.25Å; T117-E120 WeakPolarHBondContact CG2-OE2 3.4Å; T117-E120 PolarHBondContact N-OE2 2.98Å; T117-E120 PolarHBondContact O-N 3.31Å; T117-E120 WeakPolarHBondContact OG1-CB 3.31Å; T117-E120 VanDerWaalsContact OG1-CD 3.24Å; T117-E120 WeakPolarHBondContact OG1-CG 3.48Å; T117-E120 PolarHBondContact OG1-N 3.44Å; T117-E120 PolarHBondContact OG1-OE2 2.88Å; E120-A123 PolarHBondContact O-N 2.88Å; E120-M124 PolarHBondContact O-N 3.18Å
121G91.9Very high90.6Very high1 Ų150.1 Ų50.11%0.0125%0.248CC..Hα-helixtrans-63.7-46179.700000112.4T117 A123 M124 D125T117-G121 PolarHBondContact O-N 3.12Å; G121-A123 PolarHBondContact O-N 3.44Å; G121-M124 WeakPolarHBondContact O-CB 3.17Å; G121-M124 PolarHBondContact O-N 2.98Å; G121-D125 PolarHBondContact O-N 3.12Å
122L90.4Very high90.5Very high47 Ų4749.2 Ų49.225%0.24624%0.243CC..Hα-helixtrans-62.6-41.6176.4-75.2170.6000111.8Y118 M124 D125 V126 T154 V157 L158 L161Y118-L122 VanDerWaalsContact O-CB 3.26Å; Y118-L122 WeakPolarHBondContact O-CB 3.07Å; Y118-L122 WeakPolarHBondContact O-CD1 3.26Å; Y118-L122 WeakPolarHBondContact O-CG 3.37Å; Y118-L122 PolarHBondContact O-N 3.44Å; L122-M124 VanDerWaalsContact C-N 3.34Å; L122-M124 PolarHBondContact O-N 3.25Å; L122-D125 PolarHBondContact O-N 3.17Å; L122-V126 WeakPolarHBondContact O-CG2 3.29Å; L122-V126 PolarHBondContact O-N 3.08Å; L122-T154 HydrophobicContact CB-CG2 4.05Å; L122-V157 HydrophobicContact CD1-CG1 4.14Å; L122-L158 HydrophobicContact CD1-CD2 3.55Å; L122-L158 HydrophobicContact CD1-CG 4.18Å; L122-L161 HydrophobicContact CD1-CD1 4.29Å
123A89.5Confident90.3Very high53 Ų5348.8 Ų48.844%0.43824%0.241SC..Hα-helixtrans-61.1-42.7175.400000111.9E119 E120 G121 V126 E127E119-A123 WeakPolarHBondContact O-CB 2.94Å; E119-A123 PolarHBondContact O-N 3.2Å; E120-A123 PolarHBondContact O-N 2.88Å; G121-A123 PolarHBondContact O-N 3.44Å; A123-V126 PolarHBondContact O-N 2.93Å; A123-E127 PolarHBondContact O-N 3.3Å; A123-E127 VanDerWaalsContact O-N 3.14Å
124M91.7Very high90Very high17 Ų1747.9 Ų47.98%0.08424%0.243CC..Hα-helixtrans-62.6-43.1175.4-173.163.469.800112V58 P106 S110 M116 E120 G121 L122 V126 E127 R128V58-M124 HydrophobicContact CG1-SD 3.91Å; V58-M124 HydrophobicContact CG2-CG 4.3Å; V58-M124 HydrophobicContact CG2-SD 3.83Å; P106-M124 HydrophobicContact CB-CE 4.15Å; P106-M124 HydrophobicContact CB-SD 3.95Å; S110-M124 VanDerWaalsContact CB-CE 3.49Å; S110-M124 WeakPolarHBondContact OG-CE 3.4Å; M116-M124 HydrophobicContact CE-CE 3.97Å; M116-M124 HydrophobicContact SD-CB 4.39Å; E120-M124 PolarHBondContact O-N 3.18Å; G121-M124 WeakPolarHBondContact O-CB 3.17Å; G121-M124 PolarHBondContact O-N 2.98Å; L122-M124 VanDerWaalsContact C-N 3.34Å; L122-M124 PolarHBondContact O-N 3.25Å; M124-V126 VanDerWaalsContact C-N 3.34Å; M124-V126 PolarHBondContact O-N 2.9Å; M124-E127 PolarHBondContact O-N 2.87Å; M124-R128 VanDerWaalsContact O-CB 3.25Å; M124-R128 WeakPolarHBondContact O-CB 3.25Å; M124-R128 PolarHBondContact O-N 3.1Å
125D91.7Very high89.7Confident23 Ų2347.8 Ų47.812%0.12324%0.242CC..Hα-helixtrans-62.1-41.8177.2-78.9-44.2000111.5S13 Y113 G121 L122 R128 Y129S13-D125 PolarHBondContact OG-OD1 2.9Å; Y113-D125 WeakPolarHBondContact CE2-OD2 3.2Å; Y113-D125 PolarHBondContact OH-OD2 3.49Å; G121-D125 PolarHBondContact O-N 3.12Å; L122-D125 PolarHBondContact O-N 3.17Å; D125-R128 PolarHBondContact O-N 3.42Å; D125-R128 IonicContact OD1-CZ 3.92Å; D125-R128 IonicContact OD1-NE 3.4Å; D125-R128 PolarHBondContact OD1-NE 3.49Å; D125-R128 IonicContact OD1-NH2 3.43Å; D125-R128 PolarHBondContact OD1-NH2 2.94Å; D125-Y129 HydrophobicContact CB-CD2 4.37Å; D125-Y129 HydrophobicContact CB-CE2 4.47Å; D125-Y129 WeakPolarHBondContact O-CB 3.45Å; D125-Y129 WeakPolarHBondContact O-CD2 3.32Å; D125-Y129 PolarHBondContact O-N 2.82Å
126V89.9Confident89.3Confident11 Ų1146.3 Ų46.37%0.06724%0.237CC..Hα-helixtrans-56.7-55.1174.4171.40000111.1L122 A123 M124 R128 Y129 C130 F150 K151 T154L122-V126 WeakPolarHBondContact O-CG2 3.29Å; L122-V126 PolarHBondContact O-N 3.08Å; A123-V126 PolarHBondContact O-N 2.93Å; M124-V126 VanDerWaalsContact C-N 3.34Å; M124-V126 PolarHBondContact O-N 2.9Å; V126-R128 VanDerWaalsContact C-N 3.28Å; V126-R128 PolarHBondContact O-N 3.03Å; V126-Y129 PolarHBondContact O-N 3.34Å; V126-C130 VanDerWaalsContact O-CB 3.3Å; V126-C130 WeakPolarHBondContact O-CB 3.07Å; V126-C130 PolarHBondContact O-N 3.07Å; V126-C130 PolarHBondContact O-SG 3.08Å; V126-F150 HydrophobicContact CG1-CB 4.21Å; V126-K151 HydrophobicContact CG1-CG 3.95Å; V126-T154 HydrophobicContact CG2-CG2 3.98Å; V126-T154 WeakPolarHBondContact CG2-OG1 3.4Å
127E90Very high88.8Confident77 Ų7747 Ų4736%0.3624%0.241SC..Hα-helixtrans-58.5-42.6-177.8-71.2-62.8148.800111.5A123 M124 C130 T131 K151A123-E127 PolarHBondContact O-N 3.3Å; A123-E127 VanDerWaalsContact O-N 3.14Å; M124-E127 PolarHBondContact O-N 2.87Å; E127-C130 WeakPolarHBondContact O-CB 3.4Å; E127-C130 PolarHBondContact O-N 3.09Å; E127-T131 WeakPolarHBondContact O-CB 3.47Å; E127-T131 PolarHBondContact O-N 3Å; E127-T131 PolarHBondContact O-OG1 3.05Å; E127-K151 IonicContact OE1-NZ 3.38Å
128R92.5Very high87.6Confident1 Ų147.5 Ų47.50%0.00425%0.247CC..Hα-helixtrans-63.5-47.3176.4176.1173.476.691.80.2113.2R9 S13 F57 V58 M124 D125 V126 C130 T131 Y132R9-R128 PolarHBondContact O-NH1 2.95Å; R9-R128 PolarHBondContact O-NH2 2.99Å; R9-R128 VanDerWaalsContact O-NH2 3.15Å; S13-R128 PolarHBondContact OG-NH2 3.37Å; F57-R128 WeakPolarHBondContact O-CD 3.48Å; F57-R128 WeakPolarHBondContact O-CG 3.49Å; V58-R128 HydrophobicContact CG1-CB 4.46Å; M124-R128 VanDerWaalsContact O-CB 3.25Å; M124-R128 WeakPolarHBondContact O-CB 3.25Å; M124-R128 PolarHBondContact O-N 3.1Å; D125-R128 PolarHBondContact O-N 3.42Å; D125-R128 IonicContact OD1-CZ 3.92Å; D125-R128 IonicContact OD1-NE 3.4Å; D125-R128 PolarHBondContact OD1-NE 3.49Å; D125-R128 IonicContact OD1-NH2 3.43Å; D125-R128 PolarHBondContact OD1-NH2 2.94Å; V126-R128 VanDerWaalsContact C-N 3.28Å; V126-R128 PolarHBondContact O-N 3.03Å; R128-C130 VanDerWaalsContact C-N 3.33Å; R128-T131 PolarHBondContact O-N 3.2Å; R128-Y132 WeakPolarHBondContact O-CB 3.47Å; R128-Y132 PolarHBondContact O-N 3.42Å
129Y90.3Very high86.5Confident28 Ų2852 Ų5211%0.1128%0.277CS..Hα-helixtrans-66.6-38.7178.6-85.2-69.6000111.5R9 F10 D125 V126 T131 Y132 L133R9-Y129 PolarHBondContact O-OH 3.11Å; F10-Y129 VanDerWaalsContact CA-OH 3.24Å; F10-Y129 WeakPolarHBondContact CA-OH 3.48Å; F10-Y129 HydrophobicContact CD1-CE2 4.21Å; F10-Y129 AromaticContact CD1-CZ 3.75Å; F10-Y129 WeakPolarHBondContact CD1-OH 3.34Å; F10-Y129 HydrophobicContact CE1-CE1 4.35Å; F10-Y129 HydrophobicContact CE1-CE2 4.17Å; F10-Y129 AromaticContact CE1-CZ 3.67Å; F10-Y129 WeakPolarHBondContact CE1-OH 3.4Å; F10-Y129 WeakPolarHBondContact CG-OH 3.3Å; F10-Y129 PolarHBondContact N-OH 3.4Å; D125-Y129 HydrophobicContact CB-CD2 4.37Å; D125-Y129 HydrophobicContact CB-CE2 4.47Å; D125-Y129 WeakPolarHBondContact O-CB 3.45Å; D125-Y129 WeakPolarHBondContact O-CD2 3.32Å; D125-Y129 PolarHBondContact O-N 2.82Å; V126-Y129 PolarHBondContact O-N 3.34Å; Y129-T131 PolarHBondContact O-N 3.32Å; Y129-Y132 PolarHBondContact O-N 3.44Å; Y129-L133 WeakPolarHBondContact O-CB 3.33Å; Y129-L133 WeakPolarHBondContact O-CG 3.43Å; Y129-L133 PolarHBondContact O-N 3.37Å
130C88.4Confident85.5Confident2 Ų255.7 Ų55.71%0.01429%0.294CS..Hα-helixtrans-56.5-50.9172.1-69.90000110.8V126 E127 R128 Y132 L133 S134 Q147V126-C130 VanDerWaalsContact O-CB 3.3Å; V126-C130 WeakPolarHBondContact O-CB 3.07Å; V126-C130 PolarHBondContact O-N 3.07Å; V126-C130 PolarHBondContact O-SG 3.08Å; E127-C130 WeakPolarHBondContact O-CB 3.4Å; E127-C130 PolarHBondContact O-N 3.09Å; R128-C130 VanDerWaalsContact C-N 3.33Å; C130-Y132 PolarHBondContact O-N 2.96Å; C130-L133 PolarHBondContact O-N 3.28Å; C130-S134 PolarHBondContact O-N 3.22Å; C130-S134 PolarHBondContact O-OG 3.12Å; C130-Q147 HydrophobicContact CB-CG 3.74Å
131T90Very high84.6Confident45 Ų4558.5 Ų58.528%0.27630%0.302SS..Hα-helixtrans-60-43.8177.8-56.30000112.3M60 E127 R128 Y129 S134 K135M60-T131 HydrophobicContact CB-CG2 4.4Å; M60-T131 HydrophobicContact CG-CG2 4.01Å; E127-T131 WeakPolarHBondContact O-CB 3.47Å; E127-T131 PolarHBondContact O-N 3Å; E127-T131 PolarHBondContact O-OG1 3.05Å; R128-T131 PolarHBondContact O-N 3.2Å; Y129-T131 PolarHBondContact O-N 3.32Å; T131-S134 PolarHBondContact O-N 2.82Å; T131-K135 PolarHBondContact O-N 2.96Å
132Y89.1Confident84Confident58 Ų5863 Ų6323%0.22733%0.326CS..Hα-helixtrans-61.2-47.4177173.2-115.8000112.3R9 M60 R128 Y129 C130 S134 K135 I136R9-Y132 VanDerWaalsContact CD-CE2 3.48Å; R9-Y132 VanDerWaalsContact CD-OH 3.27Å; R9-Y132 WeakPolarHBondContact CD-OH 3.37Å; M60-Y132 HydrophobicContact CE-CD2 3.75Å; M60-Y132 HydrophobicContact CE-CE2 4.33Å; M60-Y132 HydrophobicContact SD-CD2 4.31Å; R128-Y132 WeakPolarHBondContact O-CB 3.47Å; R128-Y132 PolarHBondContact O-N 3.42Å; Y129-Y132 PolarHBondContact O-N 3.44Å; C130-Y132 PolarHBondContact O-N 2.96Å; Y132-S134 VanDerWaalsContact C-N 3.35Å; Y132-K135 PolarHBondContact O-N 3.29Å; Y132-I136 HydrophobicContact CD2-CD1 4.04Å; Y132-I136 HydrophobicContact CD2-CG1 4.26Å; Y132-I136 HydrophobicContact CE1-CD1 3.88Å; Y132-I136 HydrophobicContact CE2-CD1 3.18Å; Y132-I136 HydrophobicContact CE2-CG1 3.85Å; Y132-I136 PolarHBondContact O-N 3.47Å; Y132-I136 VanDerWaalsContact O-N 3.08Å; Y132-I136 WeakPolarHBondContact OH-CD1 3.33Å
133L86.2Confident83.5Confident38 Ų3862.5 Ų62.520%0.19932%0.324CS..Hα-helixtrans-66-38.6179.8-68.7170.5000111.3Y129 C130 K135 I136 L137 V146 F150Y129-L133 WeakPolarHBondContact O-CB 3.33Å; Y129-L133 WeakPolarHBondContact O-CG 3.43Å; Y129-L133 PolarHBondContact O-N 3.37Å; C130-L133 PolarHBondContact O-N 3.28Å; L133-K135 VanDerWaalsContact C-N 3.26Å; L133-K135 PolarHBondContact O-N 2.93Å; L133-I136 PolarHBondContact O-N 2.87Å; L133-L137 HydrophobicContact CB-CD1 4.23Å; L133-L137 HydrophobicContact CD2-CD1 4.27Å; L133-L137 VanDerWaalsContact O-CB 3.26Å; L133-L137 WeakPolarHBondContact O-CB 3.49Å; L133-L137 WeakPolarHBondContact O-CG 3.31Å; L133-L137 PolarHBondContact O-N 3.4Å; L133-V146 HydrophobicContact CD1-CG1 3.53Å; L133-F150 HydrophobicContact CD1-CD2 4.22Å; L133-F150 HydrophobicContact CD1-CE2 3.37Å; L133-F150 HydrophobicContact CD1-CZ 3.85Å
134S85.5Confident83.2Confident39 Ų3966.9 Ų66.927%0.27334%0.336SS..Hα-helixtrans-56.9-40.1172.8-53.90000112.4C130 T131 Y132 S138 V143C130-S134 PolarHBondContact O-N 3.22Å; C130-S134 PolarHBondContact O-OG 3.12Å; T131-S134 PolarHBondContact O-N 2.82Å; Y132-S134 VanDerWaalsContact C-N 3.35Å; S134-S138 PolarHBondContact O-OG 3Å; S134-V143 WeakPolarHBondContact OG-CG1 3.31Å
135K83.1Confident82.9Confident99 Ų9973.5 Ų73.543%0.4336%0.364SS..Hα-helixtrans-73.4-38.1-179.1-167.7175.4-176.8-178.20112.5M60 T131 Y132 L133 S138M60-K135 HydrophobicContact CB-CD 3.96Å; M60-K135 HydrophobicContact CE-CD 4.29Å; M60-K135 PolarHBondContact O-NZ 3.04Å; T131-K135 PolarHBondContact O-N 2.96Å; Y132-K135 PolarHBondContact O-N 3.29Å; L133-K135 VanDerWaalsContact C-N 3.26Å; L133-K135 PolarHBondContact O-N 2.93Å; K135-S138 PolarHBondContact O-OG 3.4Å
136I82.6Confident82.4Confident99 Ų9974.1 Ų74.151%0.50837%0.369SS..Hα-helixtrans-82.4-38.5-177.4-69.7-163.1000113.2Y132 L133 S138Y132-I136 HydrophobicContact CD2-CD1 4.04Å; Y132-I136 HydrophobicContact CD2-CG1 4.26Å; Y132-I136 HydrophobicContact CE1-CD1 3.88Å; Y132-I136 HydrophobicContact CE2-CD1 3.18Å; Y132-I136 HydrophobicContact CE2-CG1 3.85Å; Y132-I136 PolarHBondContact O-N 3.47Å; Y132-I136 VanDerWaalsContact O-N 3.08Å; Y132-I136 WeakPolarHBondContact OH-CD1 3.33Å; L133-I136 PolarHBondContact O-N 2.87Å; I136-S138 VanDerWaalsContact C-N 3.27Å; I136-S138 PolarHBondContact O-N 2.88Å
137L80.5Confident82.1Confident43 Ų4376.5 Ų76.523%0.22538%0.379CS..SBendtrans-86.43.3-173.5-60.9178.9000113.7L133 D139 Q140 Y141L133-L137 HydrophobicContact CB-CD1 4.23Å; L133-L137 HydrophobicContact CD2-CD1 4.27Å; L133-L137 VanDerWaalsContact O-CB 3.26Å; L133-L137 WeakPolarHBondContact O-CB 3.49Å; L133-L137 WeakPolarHBondContact O-CG 3.31Å; L133-L137 PolarHBondContact O-N 3.4Å; L137-D139 PolarHBondContact O-N 2.89Å; L137-D139 VanDerWaalsContact O-N 3.13Å; L137-Q140 PolarHBondContact O-N 2.85Å; L137-Y141 HydrophobicContact CB-CD2 4.01Å; L137-Y141 HydrophobicContact CD1-CD2 4.27Å; L137-Y141 HydrophobicContact CD1-CG 4.36Å; L137-Y141 HydrophobicContact CD2-CD2 3.85Å; L137-Y141 HydrophobicContact CD2-CE2 4.12Å; L137-Y141 HydrophobicContact CG-CD2 4.26Å
138S66.3Low82Confident77 Ų7779.6 Ų79.654%0.53839%0.391SS..THydrogen-bonded Turntrans-29.6107.2-175.4-60.80000114.2S134 K135 I136S134-S138 PolarHBondContact O-OG 3Å; K135-S138 PolarHBondContact O-OG 3.4Å; I136-S138 VanDerWaalsContact C-N 3.27Å; I136-S138 PolarHBondContact O-N 2.88Å
139D65Low81.8Confident174 Ų17482.2 Ų82.293%0.9341%0.413SS*.THydrogen-bonded Turntrans80.4-14.3-178.4-64.4-13.3000119.8L137L137-D139 PolarHBondContact O-N 2.89Å; L137-D139 VanDerWaalsContact O-N 3.13Å
140Q69.9Low81.7Confident153 Ų15384.1 Ų84.172%0.71542%0.422SS*.THydrogen-bonded Turntrans-90.7-18.4-174.2-68.6-174.5-16.300114.8L137L137-Q140 PolarHBondContact O-N 2.85Å
141Y72.1Confident81.7Confident143 Ų14388.6 Ų88.656%0.56144%0.442SS*.SBendtrans-139.8146.2-169.9-64.9-86.5000112.5L137 V143L137-Y141 HydrophobicContact CB-CD2 4.01Å; L137-Y141 HydrophobicContact CD1-CD2 4.27Å; L137-Y141 HydrophobicContact CD1-CG 4.36Å; L137-Y141 HydrophobicContact CD2-CD2 3.85Å; L137-Y141 HydrophobicContact CD2-CE2 4.12Å; L137-Y141 HydrophobicContact CG-CD2 4.26Å; Y141-V143 VanDerWaalsContact C-N 3.31Å; Y141-V143 PolarHBondContact O-N 3.34Å
142D80.2Confident81.7Confident95 Ų9591.2 Ų91.251%0.50845%0.452SS..  trans-68.690.8170-176.7-11.2000109.7Q144 K145 V146D142-Q144 PolarHBondContact O-N 3.19Å; D142-Q144 WeakPolarHBondContact OD1-CA 3.42Å; D142-Q144 VanDerWaalsContact OD1-CB 3.31Å; D142-Q144 WeakPolarHBondContact OD1-CB 3.37Å; D142-Q144 PolarHBondContact OD1-N 3.18Å; D142-K145 HydrophobicContact CB-CB 3.97Å; D142-K145 WeakPolarHBondContact O-CB 3.31Å; D142-K145 PolarHBondContact O-N 3.12Å; D142-K145 VanDerWaalsContact O-N 3.14Å; D142-K145 PolarHBondContact OD1-N 2.86Å; D142-V146 PolarHBondContact O-N 3.42Å
143V80.1Confident81.7Confident37 Ų3794.7 Ų94.722%0.22447%0.469CS..Hα-helixtrans-55-35.3176.9173.30000111.1S134 Y141 K145 V146 Q147S134-V143 WeakPolarHBondContact OG-CG1 3.31Å; Y141-V143 VanDerWaalsContact C-N 3.31Å; Y141-V143 PolarHBondContact O-N 3.34Å; V143-K145 VanDerWaalsContact C-N 3.35Å; V143-K145 PolarHBondContact O-N 3.3Å; V143-V146 WeakPolarHBondContact O-CB 3.26Å; V143-V146 PolarHBondContact O-N 3.13Å; V143-Q147 HydrophobicContact CG1-CG 4.28Å; V143-Q147 VanDerWaalsContact O-CG 3.27Å; V143-Q147 WeakPolarHBondContact O-CG 3.24Å; V143-Q147 PolarHBondContact O-N 3.29Å
144Q83.1Confident81.8Confident146 Ų14693.8 Ų93.868%0.68246%0.464SS*.Hα-helixtrans-67.1-39.7-179.3-57.2-177.3-6.700111D142 V146 Q147 K148D142-Q144 PolarHBondContact O-N 3.19Å; D142-Q144 WeakPolarHBondContact OD1-CA 3.42Å; D142-Q144 VanDerWaalsContact OD1-CB 3.31Å; D142-Q144 WeakPolarHBondContact OD1-CB 3.37Å; D142-Q144 PolarHBondContact OD1-N 3.18Å; Q144-V146 VanDerWaalsContact C-N 3.31Å; Q144-V146 PolarHBondContact O-N 2.96Å; Q144-Q147 PolarHBondContact O-N 3.01Å; Q144-K148 WeakPolarHBondContact O-CB 3.39Å; Q144-K148 PolarHBondContact O-N 3.05Å
145K84.7Confident82Confident155 Ų15598.2 Ų98.267%0.67448%0.481SS*.Hα-helixtrans-60-42.4173.6-173176.3-178.2176.90111.6D142 V143 K148 A149D142-K145 HydrophobicContact CB-CB 3.97Å; D142-K145 WeakPolarHBondContact O-CB 3.31Å; D142-K145 PolarHBondContact O-N 3.12Å; D142-K145 VanDerWaalsContact O-N 3.14Å; D142-K145 PolarHBondContact OD1-N 2.86Å; V143-K145 VanDerWaalsContact C-N 3.35Å; V143-K145 PolarHBondContact O-N 3.3Å; K145-K148 PolarHBondContact O-N 3.28Å; K145-A149 PolarHBondContact O-N 3.47Å
146V81.4Confident82.4Confident37 Ų3798.1 Ų98.122%0.22448%0.484CS..Hα-helixtrans-63.3-49.1175.6176.50000110.6L133 D142 V143 Q144 K148 A149 F150L133-V146 HydrophobicContact CD1-CG1 3.53Å; D142-V146 PolarHBondContact O-N 3.42Å; V143-V146 WeakPolarHBondContact O-CB 3.26Å; V143-V146 PolarHBondContact O-N 3.13Å; Q144-V146 VanDerWaalsContact C-N 3.31Å; Q144-V146 PolarHBondContact O-N 2.96Å; V146-K148 VanDerWaalsContact C-N 3.3Å; V146-K148 PolarHBondContact O-N 2.92Å; V146-A149 WeakPolarHBondContact O-CB 3.34Å; V146-A149 PolarHBondContact O-N 2.84Å; V146-A149 VanDerWaalsContact O-N 3.1Å; V146-F150 HydrophobicContact CG1-CD2 3.7Å; V146-F150 HydrophobicContact CG1-CE2 3.66Å; V146-F150 WeakPolarHBondContact O-CD2 3.27Å; V146-F150 PolarHBondContact O-N 3.48Å
147Q84.1Confident82.7Confident61 Ų6195.4 Ų95.429%0.28547%0.472SS..Hα-helixtrans-55.5-44.6177.1-70.8-177-11.900112.2C130 V143 Q144 F150 K151C130-Q147 HydrophobicContact CB-CG 3.74Å; V143-Q147 HydrophobicContact CG1-CG 4.28Å; V143-Q147 VanDerWaalsContact O-CG 3.27Å; V143-Q147 WeakPolarHBondContact O-CG 3.24Å; V143-Q147 PolarHBondContact O-N 3.29Å; Q144-Q147 PolarHBondContact O-N 3.01Å; Q147-F150 PolarHBondContact O-N 2.76Å; Q147-K151 WeakPolarHBondContact O-CG 3.37Å; Q147-K151 PolarHBondContact O-N 3.11Å
148K88.2Confident83.1Confident141 Ų14196 Ų9661%0.61348%0.475SS*.Hα-helixtrans-61.8-43.9176.9-172.2176.8-179.31780111.6Q144 K145 V146 K151 M152Q144-K148 WeakPolarHBondContact O-CB 3.39Å; Q144-K148 PolarHBondContact O-N 3.05Å; K145-K148 PolarHBondContact O-N 3.28Å; V146-K148 VanDerWaalsContact C-N 3.3Å; V146-K148 PolarHBondContact O-N 2.92Å; K148-K151 PolarHBondContact O-N 3.17Å; K148-M152 HydrophobicContact CG-SD 4.38Å; K148-M152 WeakPolarHBondContact O-CG 3.43Å; K148-M152 PolarHBondContact O-N 3.43Å
149A88Confident84.2Confident56 Ų5696.3 Ų96.346%0.46348%0.477SS..Hα-helixtrans-62.3-43.4177.600000112.3K145 V146 M152 F153K145-A149 PolarHBondContact O-N 3.47Å; V146-A149 WeakPolarHBondContact O-CB 3.34Å; V146-A149 PolarHBondContact O-N 2.84Å; V146-A149 VanDerWaalsContact O-N 3.1Å; A149-M152 PolarHBondContact O-N 2.94Å; A149-F153 WeakPolarHBondContact O-CB 3.47Å; A149-F153 PolarHBondContact O-N 2.69Å
150F87.1Confident85.4Confident68 Ų6896.1 Ų96.130%0.29847%0.468SS..Hα-helixtrans-63.6-41.4176.1-88.5-84.3000112.6V126 L133 V146 Q147 F153 T154V126-F150 HydrophobicContact CG1-CB 4.21Å; L133-F150 HydrophobicContact CD1-CD2 4.22Å; L133-F150 HydrophobicContact CD1-CE2 3.37Å; L133-F150 HydrophobicContact CD1-CZ 3.85Å; V146-F150 HydrophobicContact CG1-CD2 3.7Å; V146-F150 HydrophobicContact CG1-CE2 3.66Å; V146-F150 WeakPolarHBondContact O-CD2 3.27Å; V146-F150 PolarHBondContact O-N 3.48Å; Q147-F150 PolarHBondContact O-N 2.76Å; F150-F153 PolarHBondContact O-N 3.3Å; F150-T154 WeakPolarHBondContact O-CB 3.17Å; F150-T154 PolarHBondContact O-N 2.88Å; F150-T154 PolarHBondContact O-OG1 3.38Å
151K87.9Confident86.2Confident96 Ų9692 Ų9242%0.41745%0.45SS..Hα-helixtrans-61.7-47.5175.4-73.5177.9179.3-177.30111.4V126 E127 Q147 K148 F153 T154 E155V126-K151 HydrophobicContact CG1-CG 3.95Å; E127-K151 IonicContact OE1-NZ 3.38Å; Q147-K151 WeakPolarHBondContact O-CG 3.37Å; Q147-K151 PolarHBondContact O-N 3.11Å; K148-K151 PolarHBondContact O-N 3.17Å; K151-F153 PolarHBondContact O-N 3.29Å; K151-T154 WeakPolarHBondContact O-CB 3.26Å; K151-T154 PolarHBondContact O-N 3.43Å; K151-E155 WeakPolarHBondContact O-CG 3.32Å; K151-E155 PolarHBondContact O-N 3.44Å
152M90.5Very high86.7Confident101 Ų10190.3 Ų90.350%0.49846%0.457SS..Hα-helixtrans-59.2-45.7175.3-72.3176.964.400112.4K148 A149 T154 E155 I156K148-M152 HydrophobicContact CG-SD 4.38Å; K148-M152 WeakPolarHBondContact O-CG 3.43Å; K148-M152 PolarHBondContact O-N 3.43Å; A149-M152 PolarHBondContact O-N 2.94Å; M152-T154 VanDerWaalsContact C-N 3.26Å; M152-T154 PolarHBondContact O-N 3.24Å; M152-E155 PolarHBondContact O-N 3.17Å; M152-I156 WeakPolarHBondContact O-CG1 3.47Å; M152-I156 PolarHBondContact O-N 2.83Å
153F89Confident86.6Confident131 Ų13195 Ų9558%0.57547%0.473SS*.Hα-helixtrans-59.3-41176.9177.7-103000111.5A149 F150 K151 I156 V157A149-F153 WeakPolarHBondContact O-CB 3.47Å; A149-F153 PolarHBondContact O-N 2.69Å; F150-F153 PolarHBondContact O-N 3.3Å; K151-F153 PolarHBondContact O-N 3.29Å; F153-I156 WeakPolarHBondContact O-CB 3.37Å; F153-I156 PolarHBondContact O-N 3.47Å; F153-V157 HydrophobicContact CD1-CG2 4.14Å; F153-V157 HydrophobicContact CE1-CG2 3.67Å; F153-V157 HydrophobicContact CE2-CG2 4.14Å; F153-V157 HydrophobicContact CZ-CG2 3.67Å; F153-V157 WeakPolarHBondContact O-CG2 3.33Å; F153-V157 PolarHBondContact O-N 3Å
154T88.9Confident85.9Confident18 Ų18101.1 Ų101.111%0.1149%0.492CS..Hα-helixtrans-65.5-42.4179.3-57.50000111.7L122 V126 F150 K151 M152 I156 V157 L158L122-T154 HydrophobicContact CB-CG2 4.05Å; V126-T154 HydrophobicContact CG2-CG2 3.98Å; V126-T154 WeakPolarHBondContact CG2-OG1 3.4Å; F150-T154 WeakPolarHBondContact O-CB 3.17Å; F150-T154 PolarHBondContact O-N 2.88Å; F150-T154 PolarHBondContact O-OG1 3.38Å; K151-T154 WeakPolarHBondContact O-CB 3.26Å; K151-T154 PolarHBondContact O-N 3.43Å; M152-T154 VanDerWaalsContact C-N 3.26Å; M152-T154 PolarHBondContact O-N 3.24Å; T154-I156 VanDerWaalsContact C-N 3.32Å; T154-I156 PolarHBondContact O-N 3.39Å; T154-V157 PolarHBondContact O-N 3.26Å; T154-L158 HydrophobicContact CG2-CD1 4.07Å; T154-L158 HydrophobicContact CG2-CG 4.32Å; T154-L158 WeakPolarHBondContact O-CB 3.21Å; T154-L158 VanDerWaalsContact O-CG 3.24Å; T154-L158 WeakPolarHBondContact O-CG 3.4Å; T154-L158 PolarHBondContact O-N 3.34Å
155E89.8Confident84.7Confident132 Ų132100.9 Ų100.962%0.61750%0.496SS*.Hα-helixtrans-59.8-42.3173.2-70.5172.1-17900111.9K151 M152 L158 S159K151-E155 WeakPolarHBondContact O-CG 3.32Å; K151-E155 PolarHBondContact O-N 3.44Å; M152-E155 PolarHBondContact O-N 3.17Å; E155-L158 PolarHBondContact O-N 2.82Å; E155-S159 WeakPolarHBondContact O-CB 3.25Å; E155-S159 PolarHBondContact O-N 2.75Å
156I91.3Very high83.5Confident98 Ų98103.1 Ų103.150%0.50351%0.506SS..Hα-helixtrans-60.6-49.3175.2-67.2165.5000110.3M152 F153 T154 L158 S159 K160M152-I156 WeakPolarHBondContact O-CG1 3.47Å; M152-I156 PolarHBondContact O-N 2.83Å; F153-I156 WeakPolarHBondContact O-CB 3.37Å; F153-I156 PolarHBondContact O-N 3.47Å; T154-I156 VanDerWaalsContact C-N 3.32Å; T154-I156 PolarHBondContact O-N 3.39Å; I156-L158 PolarHBondContact O-N 2.94Å; I156-S159 WeakPolarHBondContact O-CB 3.14Å; I156-S159 PolarHBondContact O-N 2.99Å; I156-S159 PolarHBondContact O-OG 3.38Å; I156-K160 WeakPolarHBondContact O-CG 3.5Å; I156-K160 PolarHBondContact O-N 3.4Å
157V89.3Confident82.1Confident42 Ų42111.1 Ų111.126%0.25554%0.537SS..Hα-helixtrans-59.5-49.3178.61710000110.8L122 F153 T154 S159 K160 L161L122-V157 HydrophobicContact CD1-CG1 4.14Å; F153-V157 HydrophobicContact CD1-CG2 4.14Å; F153-V157 HydrophobicContact CE1-CG2 3.67Å; F153-V157 HydrophobicContact CE2-CG2 4.14Å; F153-V157 HydrophobicContact CZ-CG2 3.67Å; F153-V157 WeakPolarHBondContact O-CG2 3.33Å; F153-V157 PolarHBondContact O-N 3Å; T154-V157 PolarHBondContact O-N 3.26Å; V157-S159 VanDerWaalsContact C-N 3.26Å; V157-S159 PolarHBondContact O-N 2.78Å; V157-K160 PolarHBondContact O-N 3.49Å; V157-L161 HydrophobicContact CG1-CD1 4.37Å; V157-L161 PolarHBondContact O-N 3.3Å
158L88.2Confident80.4Confident55 Ų55118.3 Ų118.329%0.28856%0.562SS.*Hα-helixtrans-59.3-36178.5-71.8178.2000112.3Y118 E119 L122 T154 E155 I156 K160 L161Y118-L158 HydrophobicContact CD2-CD2 3.83Å; Y118-L158 HydrophobicContact CE2-CD2 3.86Å; E119-L158 HydrophobicContact CB-CD2 4.41Å; E119-L158 HydrophobicContact CG-CD2 3.92Å; L122-L158 HydrophobicContact CD1-CD2 3.55Å; L122-L158 HydrophobicContact CD1-CG 4.18Å; T154-L158 HydrophobicContact CG2-CD1 4.07Å; T154-L158 HydrophobicContact CG2-CG 4.32Å; T154-L158 WeakPolarHBondContact O-CB 3.21Å; T154-L158 VanDerWaalsContact O-CG 3.24Å; T154-L158 WeakPolarHBondContact O-CG 3.4Å; T154-L158 PolarHBondContact O-N 3.34Å; E155-L158 PolarHBondContact O-N 2.82Å; I156-L158 PolarHBondContact O-N 2.94Å; L158-K160 PolarHBondContact O-N 3.04Å; L158-L161 HydrophobicContact CD2-CD1 4.38Å; L158-L161 PolarHBondContact O-N 3.38Å
159S89.5Confident78.2Confident83 Ų83120.9 Ų120.958%0.5857%0.573SS**Hα-helixtrans-64.3-23.617781.20000113.9E155 I156 V157E155-S159 WeakPolarHBondContact O-CB 3.25Å; E155-S159 PolarHBondContact O-N 2.75Å; I156-S159 WeakPolarHBondContact O-CB 3.14Å; I156-S159 PolarHBondContact O-N 2.99Å; I156-S159 PolarHBondContact O-OG 3.38Å; V157-S159 VanDerWaalsContact C-N 3.26Å; V157-S159 PolarHBondContact O-N 2.78Å
160K89.8Confident76Confident170 Ų170122.8 Ų122.874%0.73958%0.583SS**Hα-helixtrans-92.9-13.8-179.8-59.2-58.2-179.3-177.90113.1I156 V157 L158I156-K160 WeakPolarHBondContact O-CG 3.5Å; I156-K160 PolarHBondContact O-N 3.4Å; V157-K160 PolarHBondContact O-N 3.49Å; L158-K160 PolarHBondContact O-N 3.04Å
161L86.6Confident73.7Confident66 Ų66126.6 Ų126.635%0.34661%0.606SS.*SBendtrans-81.8141.3179.5-66.7177.3000111Y118 L122 V157 L158 K163Y118-L161 HydrophobicContact CD2-CD1 3.37Å; Y118-L161 HydrophobicContact CE2-CB 3.96Å; Y118-L161 HydrophobicContact CE2-CD1 3.63Å; Y118-L161 HydrophobicContact CE2-CG 4.46Å; Y118-L161 HydrophobicContact CG-CD1 4.09Å; L122-L161 HydrophobicContact CD1-CD1 4.29Å; V157-L161 HydrophobicContact CG1-CD1 4.37Å; V157-L161 PolarHBondContact O-N 3.3Å; L158-L161 HydrophobicContact CD2-CD1 4.38Å; L158-L161 PolarHBondContact O-N 3.38Å; L161-K163 PolarHBondContact O-N 3.37Å
162P83.7Confident71.9Confident109 Ų109129.3 Ų129.371%0.70863%0.625SS**PPolyproline II helixtrans-61.3122.8177.3-20.831.6000111.1Y118 R164Y118-P162 PolarHBondContact OH-O 3.33Å; P162-R164 PolarHBondContact O-N 3.03Å; P162-R164 VanDerWaalsContact O-N 3.17Å
163K76.8Confident69.8Low194 Ų194129.8 Ų129.884%0.84364%0.638SS**PPolyproline II helixtrans-61.9119.7173.7-66.3-175.8-179.5178.90109.4L161 N165L161-K163 PolarHBondContact O-N 3.37Å; K163-N165 PolarHBondContact O-N 3.29Å
164R66.1Low67.9Low164 Ų164133 Ų13362%0.61965%0.652SS**  trans-72.4115.4-179.5-168.1175.9134.3110.26.4110.3P162 K166 R168P162-R164 PolarHBondContact O-N 3.03Å; P162-R164 VanDerWaalsContact O-N 3.17Å; R164-K166 PolarHBondContact O-N 3.33Å; R164-R168 PolarHBondContact NH2-O 3.42Å
165N57.3Low65.5Low141 Ų141141.6 Ų141.675%0.75468%0.682SS**  trans-60.4121.1169.7-79.2-18.9000109.8K163 K167K163-N165 PolarHBondContact O-N 3.29Å; N165-K167 PolarHBondContact O-N 3.46Å
166K60.4Low63.2Low203 Ų203141.2 Ų141.288%0.88369%0.689SS**THydrogen-bonded Turntrans-55.7-8.2-176.5-73.8179.5178.1174.70115.1R164 R168R164-K166 PolarHBondContact O-N 3.33Å; K166-R168 PolarHBondContact O-N 3.1Å
167K51.4Low60.8Low205 Ų205144.1 Ų144.189%0.89171%0.705SS**THydrogen-bonded Turntrans-78.2-9.9-173.9-120.4176.7-179.3177.70116.1N165 K169N165-K167 PolarHBondContact O-N 3.46Å; K167-K169 PolarHBondContact O-N 2.85Å
168R48.1Very low58.4Low211 Ų211147.1 Ų147.180%0.79673%0.728SS**  trans-99.462.8178.7-84.3-179.2153.9162-5.5112.8R164 K166R164-R168 PolarHBondContact NH2-O 3.42Å; K166-R168 PolarHBondContact O-N 3.1Å
169K42.3Very low56.2Low195 Ų195150.7 Ų150.785%0.84875%0.746SS**  trans-98.378.6164.8-88.8-173.2174.3-1790109K167K167-K169 PolarHBondContact O-N 2.85Å
170S42.6Very low54Low96 Ų96155.8 Ų155.867%0.67176%0.763SS**SBendtrans-165.9126.1162.155.90000110.2
171N37.4Very low52Low148 Ų148151.9 Ų151.979%0.79176%0.757SS**  trans94.923.8156.7-51.1-14.8000121
172L50.9Low49.6Very low154 Ų154156.5 Ų156.581%0.80678%0.782SS**  trans-89.2-3.7171.1-15362.2000114.8K174L172-K174 VanDerWaalsContact C-N 3.28Å; L172-K174 PolarHBondContact O-N 2.64Å
173S47.4Very low47.7Very low110 Ų110156.9 Ų156.977%0.76979%0.787SS**THydrogen-bonded Turntrans-80.610.1-177.163.40000116
174K47.4Very low46.2Very low199 Ų199152.2 Ų152.287%0.86578%0.779SS**THydrogen-bonded Turntrans-121.510.9-175.2-73.6-171.4177.1-1790115.7L172L172-K174 VanDerWaalsContact C-N 3.28Å; L172-K174 PolarHBondContact O-N 2.64Å
175R40.2Very low45.4Very low198 Ų198151.9 Ų151.975%0.74779%0.788SS**  trans-120.76.8-169.2-134.6174.9167.7-176.7-4.8117N177R175-N177 PolarHBondContact O-N 3.32Å
176T39.6Very low45.2Very low124 Ų124154 Ų15476%0.76179%0.791SS**  trans-93.880.5175.351.20000109.8
177N41.4Very low44.7Very low159 Ų159149.4 Ų149.485%0.8578%0.784SS**SBendtrans-179.284.8160.6-85.4-20.8000106.5R175R175-N177 PolarHBondContact O-N 3.32Å
178S39.5Very low44.6Very low105 Ų105146 Ų14673%0.73478%0.78SS**SBendtrans155.912.2160.158.40000117
179I43Very low44.6Very low130 Ų130146.3 Ų146.367%0.66778%0.782SS**  trans-120.273.2-179.7-47178.4000111.3
180M42.1Very low45.1Very low191 Ų191142.3 Ų142.394%0.94178%0.779SS**  trans-125.472.9145.2-76-153.173.500107.7
181S47.3Very low45.3Very low87 Ų87143.5 Ų143.561%0.60878%0.782SS**SBendtrans-146.5109.816860.70000109.1
182N37.4Very low46.1Very low163 Ų163147.1 Ų147.187%0.87278%0.784SS**  trans4883.9154.5-65.7-11.2000118.3S184N182-S184 VanDerWaalsContact C-N 3.32Å; N182-S184 PolarHBondContact O-N 3.23Å
183S43.1Very low46Very low117 Ų117145.4 Ų145.482%0.81879%0.785SS**  trans-88.883.6139.461.90000108.1I185S183-I185 PolarHBondContact O-N 3Å; S183-I185 VanDerWaalsContact O-N 3.08Å
184S44.9Very low46.1Very low96 Ų96150 Ų15067%0.67179%0.791SS**  trans-48.5115.2155.7174.50000107N182 K186N182-S184 VanDerWaalsContact C-N 3.32Å; N182-S184 PolarHBondContact O-N 3.23Å; S184-K186 PolarHBondContact O-N 3.42Å
185I50Low46.4Very low157 Ų157151.6 Ų151.681%0.80579%0.792SS**  trans-58.9100.5164.5-62.9170.3000104.1S183 S187S183-I185 PolarHBondContact O-N 3Å; S183-I185 VanDerWaalsContact O-N 3.08Å; I185-S187 PolarHBondContact O-N 3.43Å
186K52.6Low47.3Very low186 Ų186154 Ų15481%0.80982%0.817SS**  trans-62.893.9173.1-77.8-177.1177.9179.80106.7S184 T188S184-K186 PolarHBondContact O-N 3.42Å; K186-T188 PolarHBondContact O-N 3.01Å; K186-T188 VanDerWaalsContact O-N 3.1Å
187S49.6Very low47.7Very low107 Ų107155.5 Ų155.575%0.74882%0.82SS**  trans-54.5110.5161.7152.80000107.4I185 R189I185-S187 PolarHBondContact O-N 3.43Å; S187-R189 PolarHBondContact O-N 2.87Å
188T50.4Low48Very low132 Ų132155.3 Ų155.381%0.8182%0.818SS**  trans-78.6106.8167.444.50000107.9K186 S190K186-T188 PolarHBondContact O-N 3.01Å; K186-T188 VanDerWaalsContact O-N 3.1Å; T188-S190 PolarHBondContact O-N 2.82Å
189R47.9Very low48.5Very low218 Ų218158.1 Ų158.182%0.82382%0.823SS**  trans-59.8114.6170.6-179.2174.7171154.2-3109.4S187 T191S187-R189 PolarHBondContact O-N 2.87Å; R189-T191 PolarHBondContact O-N 3.31Å
190S51.7Low48.8Very low112 Ų112159.7 Ų159.778%0.78383%0.832SS**  trans-65.8120170.5172.10000109.9T188T188-S190 PolarHBondContact O-N 2.82Å
191T48Very low49.3Very low120 Ų120157.8 Ų157.874%0.73683%0.825SS**  trans-114.592.6168.352.20000109.2R189R189-T191 PolarHBondContact O-N 3.31Å
192R53.3Low49.4Very low224 Ų224162.5 Ų162.585%0.84584%0.839SS**  trans-165.599.8157-154.9168.6-179.2171.2-1.4112.3
193S48.9Very low50.2Low118 Ų118162.4 Ų162.483%0.82584%0.837SS**  -175.2102.1122.7-115.30000110.6
194K50.5Low50.8Low206 Ų206165.9 Ų165.990%0.89684%0.839SS**  trans-107.7112.2147.6-87-175.1175.6-179.30105.9
195R54.1Low51.3Low234 Ų234171.8 Ų171.888%0.88385%0.852SS**  trans170.691.3155.3-104.9-175.5-99.8-173.3-10108.3
196I58.5Low51.4Low247 Ų247173.1 Ų173.1100%1.26786%0.857SS**  -145.80114.1-60.8-167.8000105

Retrieved 196 of 196 residues in 243.3 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).