X5J4R4_MOUSE Loading...

IgM heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J4R4, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 85 aa.

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

 

Download Structure   PDB   PAE   Table  
Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M93.8Very high95.8Very high46 Ų4658.3 Ų58.323%0.22735%0.35CS..  0116.30-172.361.471.800108.3Y17 I18 P20 A46 C63 R65M1-Y17 CarbonylContact O-C 3.6Å; M1-Y17 WeakPolarHBondContact O-CA 3.45Å; M1-I18 HydrophobicContact CB-CG2 4.16Å; M1-I18 PolarHBondContact N-O 2.81Å; M1-I18 PolarHBondContact O-N 2.84Å; M1-P20 HydrophobicContact CB-CG 4.39Å; M1-A46 HydrophobicContact CB-CB 4.02Å; M1-A46 HydrophobicContact CG-CB 3.7Å; M1-C63 HydrophobicContact SD-CB 4.04Å; M1-R65 HydrophobicContact CE-CB 4.29Å; M1-R65 HydrophobicContact SD-CB 4.43Å
2H96.3Very high95.9Very high15 Ų1561.3 Ų61.37%0.06936%0.362CS..EExtended strand (participates in β ladder)trans-95.5151.8179.9-60.3-94000110.6W14 G16 Y17 C63 A64 E66 M72H2-W14 AromaticContact CG-NE1 3.92Å; H2-W14 AromaticContact ND1-NE1 3.21Å; H2-W14 PolarHBondContact ND1-NE1 3.26Å; H2-G16 CarbonylContact C-O 3.6Å; H2-G16 WeakPolarHBondContact CA-O 3.43Å; H2-Y17 AromaticContact CD2-CD2 3.81Å; H2-Y17 AromaticContact CE1-CD2 3.35Å; H2-Y17 WeakPolarHBondContact CE1-CD2 3.24Å; H2-Y17 AromaticContact CE1-CG 3.95Å; H2-Y17 AromaticContact CG-CD2 3.97Å; H2-Y17 AromaticContact ND1-CD2 3.72Å; H2-Y17 AromaticContact NE2-CD2 3.37Å; H2-Y17 WeakPolarHBondContact NE2-CD2 3.44Å; H2-Y17 AromaticContact NE2-CE2 3.76Å; H2-C63 CarbonylContact O-C 3.43Å; H2-C63 VanDerWaalsContact O-CA 3.3Å; H2-C63 WeakPolarHBondContact O-CA 3.45Å; H2-A64 HydrophobicContact CB-CB 4.37Å; H2-A64 PolarHBondContact N-O 3.47Å; H2-A64 PolarHBondContact O-N 3.02Å; H2-E66 IonicContact NE2-OE2 3.38Å; H2-E66 PolarHBondContact NE2-OE2 2.8Å; H2-M72 HydrophobicContact CB-CE 3.97Å; H2-M72 HydrophobicContact CB-SD 3.81Å; H2-M72 VanDerWaalsContact CG-CE 3.43Å; H2-M72 WeakPolarHBondContact ND1-CE 3.34Å
3W97.8Very high96Very high35 Ų3559.5 Ų59.513%0.13335%0.348CS..EExtended strand (participates in β ladder)trans-121134.8172.1-68.894000109.6I15 G16 L37 A46 M48 Y62 C63W3-I15 HydrophobicContact CB-CB 4.1Å; W3-I15 HydrophobicContact CB-CD1 4.26Å; W3-I15 WeakPolarHBondContact O-CB 3.4Å; W3-I15 PolarHBondContact O-N 2.73Å; W3-G16 PolarHBondContact N-O 2.91Å; W3-G16 PolarHBondContact O-N 2.94Å; W3-L37 HydrophobicContact CB-CD2 4.49Å; W3-L37 VanDerWaalsContact CD1-CD2 3.41Å; W3-L37 HydrophobicContact CG-CD2 3.97Å; W3-A46 HydrophobicContact CZ2-CB 4.49Å; W3-M48 HydrophobicContact CB-SD 3.78Å; W3-M48 HydrophobicContact CD2-CB 3.65Å; W3-M48 HydrophobicContact CD2-CE 4.11Å; W3-M48 HydrophobicContact CD2-CG 4.41Å; W3-M48 HydrophobicContact CD2-SD 3.94Å; W3-M48 HydrophobicContact CE3-CB 3.92Å; W3-M48 HydrophobicContact CE3-CE 3.53Å; W3-M48 HydrophobicContact CE3-SD 4.01Å; W3-M48 HydrophobicContact CG-CB 4.15Å; W3-M48 HydrophobicContact CG-SD 3.87Å; W3-M48 HydrophobicContact CH2-CB 4.07Å; W3-M48 HydrophobicContact CZ2-CB 3.81Å; W3-M48 HydrophobicContact CZ3-CB 4.12Å; W3-M48 HydrophobicContact CZ3-CE 4.04Å; W3-Y62 WeakPolarHBondContact CA-O 3.25Å; W3-C63 HydrophobicContact CD2-CB 4.48Å; W3-C63 HydrophobicContact CE3-CB 4.17Å; W3-C63 HydrophobicContact CH2-CB 4.17Å; W3-C63 HydrophobicContact CZ2-CB 4.45Å; W3-C63 HydrophobicContact CZ3-CB 4.02Å
4V97.9Very high96.1Very high4 Ų460.2 Ų60.22%0.02434%0.342CS..EExtended strand (participates in β ladder)trans-138.1138.8-172.8-177.30000109.1L12 E13 Y61 Y62 W75V4-L12 HydrophobicContact CG1-CB 3.72Å; V4-L12 HydrophobicContact CG1-CD2 3.85Å; V4-L12 HydrophobicContact CG1-CG 4.26Å; V4-E13 WeakPolarHBondContact CA-O 3.35Å; V4-Y61 CarbonylContact O-C 3.6Å; V4-Y61 WeakPolarHBondContact O-CA 3.47Å; V4-Y62 PolarHBondContact N-O 3.27Å; V4-Y62 PolarHBondContact O-N 3.23Å; V4-W75 HydrophobicContact CB-CH2 4.09Å; V4-W75 HydrophobicContact CB-CZ3 3.86Å; V4-W75 HydrophobicContact CG1-CH2 4.06Å; V4-W75 HydrophobicContact CG1-CZ3 4.01Å; V4-W75 HydrophobicContact CG2-CH2 3.75Å; V4-W75 HydrophobicContact CG2-CZ3 3.94Å
5K97.3Very high96.2Very high1 Ų156.2 Ų56.20%0.00432%0.319CS..EExtended strand (participates in β ladder)trans-109138.5176.2-177.5-177.5178-171.90109.5E13 I15 F31 E56 D57 A59 Y61K5-E13 HydrophobicContact CB-CB 4.4Å; K5-E13 PolarHBondContact N-O 2.99Å; K5-E13 PolarHBondContact O-N 3.43Å; K5-I15 HydrophobicContact CB-CD1 4Å; K5-I15 HydrophobicContact CB-CG1 4.12Å; K5-F31 HydrophobicContact CD-CE1 3.91Å; K5-F31 HydrophobicContact CD-CZ 4.23Å; K5-E56 PolarHBondContact NZ-O 2.78Å; K5-D57 WeakPolarHBondContact CE-O 3.46Å; K5-D57 IonicContact NZ-OD1 3.76Å; K5-D57 PolarHBondContact NZ-OD1 2.78Å; K5-A59 HydrophobicContact CD-CB 4.07Å; K5-A59 HydrophobicContact CG-CB 3.42Å; K5-A59 VanDerWaalsContact CG-CB 3.42Å; K5-Y61 HydrophobicContact CB-CD1 4.21Å; K5-Y61 HydrophobicContact CB-CE1 4.04Å; K5-Y61 HydrophobicContact CD-CE1 4.04Å; K5-Y61 HydrophobicContact CG-CD1 4.33Å; K5-Y61 HydrophobicContact CG-CE1 3.89Å; K5-Y61 HydrophobicContact CG-CE2 4.42Å
6Q97.8Very high96.2Very high69 Ų6952.7 Ų52.732%0.32230%0.299SS..EExtended strand (participates in β ladder)trans-127.5116.4170.1-163.4-179.419.800110.7L12 A59 V60 Y62Q6-L12 HydrophobicContact CB-CD2 3.91Å; Q6-L12 HydrophobicContact CG-CD2 4.02Å; Q6-A59 WeakPolarHBondContact O-CA 3.48Å; Q6-A59 VanDerWaalsContact O-CB 3.24Å; Q6-A59 WeakPolarHBondContact O-CB 3.44Å; Q6-V60 PolarHBondContact N-O 2.81Å; Q6-V60 PolarHBondContact O-N 2.85Å; Q6-Y62 HydrophobicContact CB-CD2 4.48Å; Q6-Y62 HydrophobicContact CB-CE2 3.81Å; Q6-Y62 PolarHBondContact OE1-OH 3.12Å
7R96.3Very high96.2Very high47 Ų4751.8 Ų51.818%0.17729%0.29CS..  trans-83150.7170.6-71.5169.7170.4147.6-18.5110.2G9 R10 E13 E56 A59R7-G9 PolarHBondContact O-N 2.87Å; R7-R10 HydrophobicContact CB-CB 4.05Å; R7-R10 HydrophobicContact CB-CG 4.18Å; R7-R10 PolarHBondContact O-N 2.83Å; R7-E13 IonicContact CZ-OE2 2.87Å; R7-E13 IonicContact NE-OE2 2.99Å; R7-E13 IonicContact NH1-OE1 3.66Å; R7-E13 IonicContact NH1-OE2 3.88Å; R7-E13 PolarHBondContact NH1-OE2 3.23Å; R7-E56 VanDerWaalsContact CZ-O 3.29Å; R7-E56 PolarHBondContact NE-O 3.17Å; R7-E56 PolarHBondContact NH2-O 3.19Å; R7-A59 HydrophobicContact CG-CB 4.15Å
8P93.3Very high96.1Very high120 Ų12049.1 Ų49.178%0.77928%0.275SS*.THydrogen-bonded Turntrans-52.1128.2174-25.934.7000111.6R10P8-R10 PolarHBondContact O-N 2.91Å
9G93.8Very high95.9Very high94 Ų9448.9 Ų48.997%0.96927%0.273SS*.THydrogen-bonded Turntrans699.5-179.900000115.7R7R7-G9 PolarHBondContact O-N 2.87Å
10R94.9Very high95.5Very high156 Ų15648.8 Ų48.859%0.58928%0.275SS*.SBendtrans-117160.2176.1-62.9-165.7170.4-160.1-2.4112R7 P8R7-R10 HydrophobicContact CB-CB 4.05Å; R7-R10 HydrophobicContact CB-CG 4.18Å; R7-R10 PolarHBondContact O-N 2.83Å; P8-R10 PolarHBondContact O-N 2.91Å
11G95.1Very high95.1Very high54 Ų5451 Ų5156%0.55729%0.293SS*.  trans-67.7172.6172.300000113
12L96.4Very high94.9Very high95 Ų9552.4 Ų52.450%0.49731%0.308SS..EExtended strand (participates in β ladder)trans-69.6128.2176.5-64.5173.6000110.8V4 Q6 W75V4-L12 HydrophobicContact CG1-CB 3.72Å; V4-L12 HydrophobicContact CG1-CD2 3.85Å; V4-L12 HydrophobicContact CG1-CG 4.26Å; Q6-L12 HydrophobicContact CB-CD2 3.91Å; Q6-L12 HydrophobicContact CG-CD2 4.02Å; L12-W75 HydrophobicContact CD1-CH2 3.78Å; L12-W75 HydrophobicContact CD1-CZ2 4.4Å; L12-W75 HydrophobicContact CD1-CZ3 4.25Å; L12-W75 HydrophobicContact CD2-CZ3 4.46Å
13E97.1Very high94.6Very high37 Ų3753.5 Ų53.517%0.17332%0.323CS..EExtended strand (participates in β ladder)trans-107.3110.7175.3-60.4-170.28100109.1V4 K5 R7 I15 F31V4-E13 WeakPolarHBondContact CA-O 3.35Å; K5-E13 HydrophobicContact CB-CB 4.4Å; K5-E13 PolarHBondContact N-O 2.99Å; K5-E13 PolarHBondContact O-N 3.43Å; R7-E13 IonicContact CZ-OE2 2.87Å; R7-E13 IonicContact NE-OE2 2.99Å; R7-E13 IonicContact NH1-OE1 3.66Å; R7-E13 IonicContact NH1-OE2 3.88Å; R7-E13 PolarHBondContact NH1-OE2 3.23Å; E13-I15 PolarHBondContact O-N 2.84Å; E13-F31 HydrophobicContact CB-CE2 4.37Å; E13-F31 HydrophobicContact CB-CZ 4.14Å
14W97.1Very high94.4Very high70 Ų7058.6 Ų58.627%0.26534%0.343SS..EExtended strand (participates in β ladder)trans-69.1124.8176.4-178.172.5000110.8H2 G16 K26 N28H2-W14 AromaticContact CG-NE1 3.92Å; H2-W14 AromaticContact ND1-NE1 3.21Å; H2-W14 PolarHBondContact ND1-NE1 3.26Å; W14-G16 VanDerWaalsContact CE2-C 3.44Å; W14-G16 PolarHBondContact NE1-O 3.5Å; W14-K26 HydrophobicContact CH2-CB 4.21Å; W14-K26 HydrophobicContact CH2-CD 4.18Å; W14-K26 HydrophobicContact CH2-CG 3.99Å; W14-N28 HydrophobicContact CE3-CB 3.81Å; W14-N28 HydrophobicContact CZ3-CB 3.99Å; W14-N28 WeakPolarHBondContact O-CB 3.47Å; W14-N28 PolarHBondContact O-ND2 3.1Å
15I97.8Very high94.3Very high0 Ų060.7 Ų60.70%036%0.356CS..EExtended strand (participates in β ladder)trans-88.9-50.2-179-59.6174.6000109.9W3 K5 E13 N28 F31 A35 M48 Y61W3-I15 HydrophobicContact CB-CB 4.1Å; W3-I15 HydrophobicContact CB-CD1 4.26Å; W3-I15 WeakPolarHBondContact O-CB 3.4Å; W3-I15 PolarHBondContact O-N 2.73Å; K5-I15 HydrophobicContact CB-CD1 4Å; K5-I15 HydrophobicContact CB-CG1 4.12Å; E13-I15 PolarHBondContact O-N 2.84Å; I15-N28 WeakPolarHBondContact O-CB 3.23Å; I15-N28 PolarHBondContact O-N 3.3Å; I15-F31 HydrophobicContact CB-CD2 4.37Å; I15-F31 HydrophobicContact CB-CG 4.3Å; I15-F31 HydrophobicContact CG1-CD1 4.25Å; I15-F31 HydrophobicContact CG1-CD2 4.35Å; I15-F31 HydrophobicContact CG1-CE1 4.3Å; I15-F31 HydrophobicContact CG1-CE2 4.39Å; I15-F31 HydrophobicContact CG1-CG 4.27Å; I15-F31 HydrophobicContact CG1-CZ 4.37Å; I15-F31 HydrophobicContact CG2-CB 3.74Å; I15-F31 HydrophobicContact CG2-CD1 4.37Å; I15-F31 HydrophobicContact CG2-CD2 4.48Å; I15-F31 HydrophobicContact CG2-CG 3.97Å; I15-A35 HydrophobicContact CG2-CB 3.76Å; I15-M48 HydrophobicContact CD1-CE 3.98Å; I15-M48 HydrophobicContact CD1-SD 3.64Å; I15-M48 HydrophobicContact CG2-SD 4.04Å; I15-Y61 HydrophobicContact CD1-CD1 3.67Å; I15-Y61 HydrophobicContact CD1-CE1 3.76Å
16G97.1Very high94.2Very high0 Ų066.3 Ų66.30%038%0.381CS..EExtended strand (participates in β ladder)trans174.9179.8-172.500000113.2H2 W3 W14 K26H2-G16 CarbonylContact C-O 3.6Å; H2-G16 WeakPolarHBondContact CA-O 3.43Å; W3-G16 PolarHBondContact N-O 2.91Å; W3-G16 PolarHBondContact O-N 2.94Å; W14-G16 VanDerWaalsContact CE2-C 3.44Å; W14-G16 PolarHBondContact NE1-O 3.5Å; G16-K26 CarbonylContact C-O 3.59Å; G16-K26 WeakPolarHBondContact CA-O 3.25Å
17Y95.6Very high94.2Very high37 Ų3765.7 Ų65.715%0.14538%0.376CS..EExtended strand (participates in β ladder)trans-137.5142.3178.8165.1-95.2000109.3M1 H2 N19 Y24 T25 K26 E66M1-Y17 CarbonylContact O-C 3.6Å; M1-Y17 WeakPolarHBondContact O-CA 3.45Å; H2-Y17 AromaticContact CD2-CD2 3.81Å; H2-Y17 AromaticContact CE1-CD2 3.35Å; H2-Y17 WeakPolarHBondContact CE1-CD2 3.24Å; H2-Y17 AromaticContact CE1-CG 3.95Å; H2-Y17 AromaticContact CG-CD2 3.97Å; H2-Y17 AromaticContact ND1-CD2 3.72Å; H2-Y17 AromaticContact NE2-CD2 3.37Å; H2-Y17 WeakPolarHBondContact NE2-CD2 3.44Å; H2-Y17 AromaticContact NE2-CE2 3.76Å; Y17-N19 HydrophobicContact CE1-CB 3.73Å; Y17-N19 WeakPolarHBondContact OH-CB 3.29Å; Y17-N19 PolarHBondContact OH-ND2 2.8Å; Y17-Y24 HydrophobicContact CE1-CD1 4.43Å; Y17-T25 CarbonylContact O-C 3.55Å; Y17-T25 VanDerWaalsContact O-CA 3.25Å; Y17-T25 WeakPolarHBondContact O-CA 3.28Å; Y17-K26 PolarHBondContact N-O 3.04Å; Y17-K26 PolarHBondContact O-N 2.69Å; Y17-E66 WeakPolarHBondContact CE2-OE2 3.46Å
18I94.8Very high94.2Very high4 Ų465.7 Ų65.72%0.02138%0.379CS..EExtended strand (participates in β ladder)trans-124.1133.1163-174.8165.2000109.7M1 P20 Y24 T25 L37 T38 A39 A46M1-I18 HydrophobicContact CB-CG2 4.16Å; M1-I18 PolarHBondContact N-O 2.81Å; M1-I18 PolarHBondContact O-N 2.84Å; I18-P20 VanDerWaalsContact O-CD 3.3Å; I18-P20 WeakPolarHBondContact O-CD 3.49Å; I18-Y24 WeakPolarHBondContact CA-O 3.34Å; I18-T25 HydrophobicContact CB-CG2 3.98Å; I18-T25 HydrophobicContact CD1-CG2 3.86Å; I18-T25 HydrophobicContact CG1-CG2 3.8Å; I18-L37 HydrophobicContact CB-CB 4.08Å; I18-L37 HydrophobicContact CB-CD1 4.47Å; I18-L37 HydrophobicContact CD1-CB 4.43Å; I18-L37 HydrophobicContact CG2-CB 4.34Å; I18-T38 VanDerWaalsContact CD1-C 3.41Å; I18-A39 HydrophobicContact CD1-CB 3.81Å; I18-A39 HydrophobicContact CG1-CB 4.39Å; I18-A46 HydrophobicContact CG2-CB 4.2Å
19N91.3Very high94.3Very high45 Ų4566.2 Ų66.224%0.24137%0.371CS..  trans-81.6112.5165.1-174.9-55.1000108.1Y17 S21 S22 G23 Y24Y17-N19 HydrophobicContact CE1-CB 3.73Å; Y17-N19 WeakPolarHBondContact OH-CB 3.29Å; Y17-N19 PolarHBondContact OH-ND2 2.8Å; N19-S21 PolarHBondContact O-N 2.93Å; N19-S21 WeakPolarHBondContact OD1-CA 3.24Å; N19-S21 WeakPolarHBondContact OD1-CB 3.2Å; N19-S21 PolarHBondContact OD1-N 3.38Å; N19-S22 WeakPolarHBondContact CB-OG 3.47Å; N19-S22 PolarHBondContact OD1-N 3.31Å; N19-S22 PolarHBondContact OD1-OG 2.94Å; N19-G23 VanDerWaalsContact O-CA 3.29Å; N19-G23 WeakPolarHBondContact O-CA 3.48Å; N19-G23 PolarHBondContact O-N 3.15Å; N19-Y24 PolarHBondContact N-O 3.05Å
20P88.2Confident94.3Very high47 Ų4769 Ų6931%0.30536%0.356SS..THydrogen-bonded Turntrans-63.1-30.6-176.9-2335.7000113.2M1 I18 A39 K41M1-P20 HydrophobicContact CB-CG 4.39Å; I18-P20 VanDerWaalsContact O-CD 3.3Å; I18-P20 WeakPolarHBondContact O-CD 3.49Å; P20-A39 HydrophobicContact CB-CB 4.14Å; P20-K41 WeakPolarHBondContact O-CE 3.26Å; P20-K41 WeakPolarHBondContact O-CG 3.33Å
21S86.9Confident94.3Very high95 Ų9562 Ų6266%0.66433%0.331SS*.THydrogen-bonded Turntrans-75.1-44.8-177.3-51.80000112.4N19 K41N19-S21 PolarHBondContact O-N 2.93Å; N19-S21 WeakPolarHBondContact OD1-CA 3.24Å; N19-S21 WeakPolarHBondContact OD1-CB 3.2Å; N19-S21 PolarHBondContact OD1-N 3.38Å; S21-K41 VanDerWaalsContact O-CE 3.24Å; S21-K41 WeakPolarHBondContact O-CE 3.3Å; S21-K41 PolarHBondContact O-NZ 2.88Å
22S90Very high94.1Very high75 Ų7564.9 Ų64.952%0.52433%0.328SS..THydrogen-bonded Turntrans-96-20.2-177.866.80000114.1N19 Y24N19-S22 WeakPolarHBondContact CB-OG 3.47Å; N19-S22 PolarHBondContact OD1-N 3.31Å; N19-S22 PolarHBondContact OD1-OG 2.94Å; S22-Y24 PolarHBondContact O-N 2.86Å; S22-Y24 VanDerWaalsContact OG-CB 3.32Å; S22-Y24 WeakPolarHBondContact OG-CB 3.49Å; S22-Y24 PolarHBondContact OG-N 2.91Å
23G90Very high94Very high38 Ų3866.8 Ų66.839%0.39234%0.338SS..  trans74.23.9-169.700000113.6N19 T25N19-G23 VanDerWaalsContact O-CA 3.29Å; N19-G23 WeakPolarHBondContact O-CA 3.48Å; N19-G23 PolarHBondContact O-N 3.15Å; G23-T25 PolarHBondContact O-N 2.99Å
24Y93.1Very high93.9Very high142 Ų14267.5 Ų67.556%0.55734%0.341SS*.  trans-61.6130.4176175.6-99000110.2Y17 I18 N19 S22 K26Y17-Y24 HydrophobicContact CE1-CD1 4.43Å; I18-Y24 WeakPolarHBondContact CA-O 3.34Å; N19-Y24 PolarHBondContact N-O 3.05Å; S22-Y24 PolarHBondContact O-N 2.86Å; S22-Y24 VanDerWaalsContact OG-CB 3.32Å; S22-Y24 WeakPolarHBondContact OG-CB 3.49Å; S22-Y24 PolarHBondContact OG-N 2.91Å; Y24-K26 HydrophobicContact CE1-CB 4.23Å
25T96.1Very high93.9Very high48 Ų4864.3 Ų64.329%0.29433%0.329SS..EExtended strand (participates in β ladder)trans-118.3144.3179.253.10000111.4Y17 I18 G23 Y27 L37Y17-T25 CarbonylContact O-C 3.55Å; Y17-T25 VanDerWaalsContact O-CA 3.25Å; Y17-T25 WeakPolarHBondContact O-CA 3.28Å; I18-T25 HydrophobicContact CB-CG2 3.98Å; I18-T25 HydrophobicContact CD1-CG2 3.86Å; I18-T25 HydrophobicContact CG1-CG2 3.8Å; G23-T25 PolarHBondContact O-N 2.99Å; T25-Y27 HydrophobicContact CG2-CE2 4.48Å; T25-Y27 WeakPolarHBondContact OG1-CE2 3.21Å; T25-L37 HydrophobicContact CG2-CB 4.09Å
26K96.3Very high93.9Very high120 Ų12067.5 Ų67.552%0.52235%0.349SS..EExtended strand (participates in β ladder)trans-131.2136.3170.7-167.6-178.2179178.10108.4W14 G16 Y17 Y24W14-K26 HydrophobicContact CH2-CB 4.21Å; W14-K26 HydrophobicContact CH2-CD 4.18Å; W14-K26 HydrophobicContact CH2-CG 3.99Å; G16-K26 CarbonylContact C-O 3.59Å; G16-K26 WeakPolarHBondContact CA-O 3.25Å; Y17-K26 PolarHBondContact N-O 3.04Å; Y17-K26 PolarHBondContact O-N 2.69Å; Y24-K26 HydrophobicContact CE1-CB 4.23Å
27Y97.6Very high93.9Very high55 Ų5567.9 Ų67.922%0.21635%0.351CS..EExtended strand (participates in β ladder)trans-120.6149.4-177.2-66.1-88.8000110.9T25 K32 A35 L37T25-Y27 HydrophobicContact CG2-CE2 4.48Å; T25-Y27 WeakPolarHBondContact OG1-CE2 3.21Å; Y27-K32 HydrophobicContact CG-CG 4.39Å; Y27-A35 WeakPolarHBondContact CE1-O 3.26Å; Y27-L37 HydrophobicContact CE1-CB 4.47Å; Y27-L37 HydrophobicContact CE1-CD1 4.05Å; Y27-L37 HydrophobicContact CE1-CG 3.69Å; Y27-L37 PolarHBondContact OH-N 3.1Å
28N96.6Very high93.9Very high47 Ų4769.4 Ų69.425%0.25136%0.364SS..  trans-75.1132.7155.3179.7-20.2000108.4W14 I15 K30 F31 K32W14-N28 HydrophobicContact CE3-CB 3.81Å; W14-N28 HydrophobicContact CZ3-CB 3.99Å; W14-N28 WeakPolarHBondContact O-CB 3.47Å; W14-N28 PolarHBondContact O-ND2 3.1Å; I15-N28 WeakPolarHBondContact O-CB 3.23Å; I15-N28 PolarHBondContact O-N 3.3Å; N28-K30 PolarHBondContact O-N 2.85Å; N28-K30 PolarHBondContact OD1-N 2.93Å; N28-K30 VanDerWaalsContact OD1-N 3.16Å; N28-F31 HydrophobicContact CB-CD2 4Å; N28-F31 PolarHBondContact O-N 3.25Å; N28-K32 PolarHBondContact O-N 2.9Å
29Q95.4Very high93.9Very high131 Ų13170.6 Ų70.661%0.61238%0.375SS*.THydrogen-bonded Turntrans-55.8-30.1-175-16859.93000113F31Q29-F31 PolarHBondContact O-N 3.16Å
30K92.6Very high93.9Very high152 Ų15271.1 Ų71.166%0.66138%0.378SS*.THydrogen-bonded Turntrans-62.6-24.7176.6-67.1-176.6-179.9179.20114.3N28N28-K30 PolarHBondContact O-N 2.85Å; N28-K30 PolarHBondContact OD1-N 2.93Å; N28-K30 VanDerWaalsContact OD1-N 3.16Å
31F94.6Very high93.7Very high11 Ų1175.5 Ų75.55%0.04839%0.392CS..THydrogen-bonded Turntrans-115.5-4.8-172.8-60.3-82.3000113.3K5 E13 I15 N28 Q29 D33 K34 A35K5-F31 HydrophobicContact CD-CE1 3.91Å; K5-F31 HydrophobicContact CD-CZ 4.23Å; E13-F31 HydrophobicContact CB-CE2 4.37Å; E13-F31 HydrophobicContact CB-CZ 4.14Å; I15-F31 HydrophobicContact CB-CD2 4.37Å; I15-F31 HydrophobicContact CB-CG 4.3Å; I15-F31 HydrophobicContact CG1-CD1 4.25Å; I15-F31 HydrophobicContact CG1-CD2 4.35Å; I15-F31 HydrophobicContact CG1-CE1 4.3Å; I15-F31 HydrophobicContact CG1-CE2 4.39Å; I15-F31 HydrophobicContact CG1-CG 4.27Å; I15-F31 HydrophobicContact CG1-CZ 4.37Å; I15-F31 HydrophobicContact CG2-CB 3.74Å; I15-F31 HydrophobicContact CG2-CD1 4.37Å; I15-F31 HydrophobicContact CG2-CD2 4.48Å; I15-F31 HydrophobicContact CG2-CG 3.97Å; N28-F31 HydrophobicContact CB-CD2 4Å; N28-F31 PolarHBondContact O-N 3.25Å; Q29-F31 PolarHBondContact O-N 3.16Å; F31-D33 PolarHBondContact O-N 3.25Å; F31-D33 VanDerWaalsContact O-N 3.17Å; F31-K34 PolarHBondContact O-N 3.06Å; F31-A35 HydrophobicContact CB-CB 4.47Å; F31-A35 PolarHBondContact O-N 2.84Å
32K92.4Very high93.6Very high113 Ų11376 Ų7649%0.49140%0.395SS..THydrogen-bonded Turntrans-57.2-33.9-174.6-168.8178.7-178.9-176.10113.2Y27 N28Y27-K32 HydrophobicContact CG-CG 4.39Å; N28-K32 PolarHBondContact O-N 2.9Å
33D93.4Very high93.2Very high135 Ų13574.9 Ų74.972%0.72239%0.388SS*.THydrogen-bonded Turntrans-92.8-4.7-179.1-54.5-37.4000113.3F31F31-D33 PolarHBondContact O-N 3.25Å; F31-D33 VanDerWaalsContact O-N 3.17Å
34K94.8Very high92.8Very high53 Ų5378.5 Ų78.523%0.2341%0.407CS..THydrogen-bonded Turntrans-112.3-25.9-178-68.2-170.1175.1-169.20113.8F31 L50 S51 D57F31-K34 PolarHBondContact O-N 3.06Å; K34-L50 CarbonylContact O-C 3.55Å; K34-L50 VanDerWaalsContact O-CA 3.3Å; K34-L50 WeakPolarHBondContact O-CA 3.49Å; K34-S51 PolarHBondContact O-N 2.79Å; K34-S51 PolarHBondContact O-OG 3.22Å; K34-D57 IonicContact NZ-OD1 3.3Å; K34-D57 PolarHBondContact NZ-OD1 2.99Å; K34-D57 IonicContact NZ-OD2 2.69Å; K34-D57 PolarHBondContact NZ-OD2 2.85Å
35A97.1Very high92.6Very high2 Ų274.4 Ų74.42%0.01740%0.397CS..EExtended strand (participates in β ladder)trans-120.5130.5-17300000110.8I15 Y27 F31 M48 Q49 L50I15-A35 HydrophobicContact CG2-CB 3.76Å; Y27-A35 WeakPolarHBondContact CE1-O 3.26Å; F31-A35 HydrophobicContact CB-CB 4.47Å; F31-A35 PolarHBondContact O-N 2.84Å; A35-M48 HydrophobicContact CB-CG 4.43Å; A35-M48 HydrophobicContact CB-SD 4.48Å; A35-Q49 CarbonylContact C-O 3.56Å; A35-Q49 WeakPolarHBondContact CA-O 3.3Å; A35-L50 HydrophobicContact CB-CD2 3.97Å
36T97.8Very high92.5Very high68 Ų6872.9 Ų72.942%0.41739%0.389SS..EExtended strand (participates in β ladder)trans-114.1122.3168.7-59.80000108.5T38 M48 Q49T36-T38 HydrophobicContact CG2-CG2 4.29Å; T36-M48 WeakPolarHBondContact O-CA 3.08Å; T36-Q49 PolarHBondContact N-O 3.19Å; T36-Q49 PolarHBondContact O-N 3.46Å
37L97.4Very high92.5Very high8 Ų872.4 Ų72.44%0.04239%0.385CS..EExtended strand (participates in β ladder)trans-99.9130.4178.2-53.3-175.8000110.5W3 I18 T25 Y27 Y47 M48W3-L37 HydrophobicContact CB-CD2 4.49Å; W3-L37 VanDerWaalsContact CD1-CD2 3.41Å; W3-L37 HydrophobicContact CG-CD2 3.97Å; I18-L37 HydrophobicContact CB-CB 4.08Å; I18-L37 HydrophobicContact CB-CD1 4.47Å; I18-L37 HydrophobicContact CD1-CB 4.43Å; I18-L37 HydrophobicContact CG2-CB 4.34Å; T25-L37 HydrophobicContact CG2-CB 4.09Å; Y27-L37 HydrophobicContact CE1-CB 4.47Å; Y27-L37 HydrophobicContact CE1-CD1 4.05Å; Y27-L37 HydrophobicContact CE1-CG 3.69Å; Y27-L37 PolarHBondContact OH-N 3.1Å; L37-Y47 WeakPolarHBondContact CA-O 3.36Å; L37-M48 HydrophobicContact CD2-CB 3.7Å; L37-M48 HydrophobicContact CD2-CG 3.66Å; L37-M48 HydrophobicContact CD2-SD 4.12Å
38T96.4Very high92.5Very high68 Ų6871.4 Ų71.442%0.41738%0.382SS..EExtended strand (participates in β ladder)trans-134.4163.5175.163.20000110.4I18 T36 Y47I18-T38 VanDerWaalsContact CD1-C 3.41Å; T36-T38 HydrophobicContact CG2-CG2 4.29Å; T38-Y47 PolarHBondContact N-O 2.88Å; T38-Y47 PolarHBondContact O-N 3.01Å
39A94.2Very high92.5Very high30 Ų3075.5 Ų75.525%0.24840%0.4CS..EExtended strand (participates in β ladder)trans-143.2136.8176.600000109.8I18 P20 T45I18-A39 HydrophobicContact CD1-CB 3.81Å; I18-A39 HydrophobicContact CG1-CB 4.39Å; P20-A39 HydrophobicContact CB-CB 4.14Å; A39-T45 WeakPolarHBondContact CA-O 3.35Å
40D90.7Very high92.6Very high56 Ų5671.3 Ų71.330%0.29938%0.382SS..EExtended strand (participates in β ladder)trans-96113.2168.117510.3000109S42 S43 S44 T45 Y47D40-S42 VanDerWaalsContact CG-OG 3.27Å; D40-S42 PolarHBondContact O-N 2.87Å; D40-S42 WeakPolarHBondContact OD1-CB 3.43Å; D40-S42 PolarHBondContact OD1-N 3.06Å; D40-S42 PolarHBondContact OD1-OG 3.22Å; D40-S42 PolarHBondContact OD2-OG 3.1Å; D40-S42 VanDerWaalsContact OD2-OG 3.13Å; D40-S43 WeakPolarHBondContact CB-OG 3.32Å; D40-S43 VanDerWaalsContact OD2-CB 3.32Å; D40-S43 WeakPolarHBondContact OD2-CB 3.32Å; D40-S43 PolarHBondContact OD2-OG 2.95Å; D40-S44 PolarHBondContact O-N 2.74Å; D40-T45 PolarHBondContact N-O 2.92Å; D40-T45 PolarHBondContact O-N 2.88Å; D40-Y47 HydrophobicContact CB-CE2 3.92Å
41K83.6Confident92.7Very high138 Ų13866.4 Ų66.460%0.637%0.366SS*.THydrogen-bonded Turntrans-68.4-26-178.7-57.9-170.8-173.9-174.80112.5P20 S21P20-K41 WeakPolarHBondContact O-CE 3.26Å; P20-K41 WeakPolarHBondContact O-CG 3.33Å; S21-K41 VanDerWaalsContact O-CE 3.24Å; S21-K41 WeakPolarHBondContact O-CE 3.3Å; S21-K41 PolarHBondContact O-NZ 2.88Å
42S84.8Confident92.6Very high106 Ų10670.8 Ų70.874%0.74140%0.398SS*.THydrogen-bonded Turntrans-77.9-33.1-17771.10000112.7D40D40-S42 VanDerWaalsContact CG-OG 3.27Å; D40-S42 PolarHBondContact O-N 2.87Å; D40-S42 WeakPolarHBondContact OD1-CB 3.43Å; D40-S42 PolarHBondContact OD1-N 3.06Å; D40-S42 PolarHBondContact OD1-OG 3.22Å; D40-S42 PolarHBondContact OD2-OG 3.1Å; D40-S42 VanDerWaalsContact OD2-OG 3.13Å
43S82.6Confident92.7Very high52 Ų5267.8 Ų67.836%0.36439%0.387SS..THydrogen-bonded Turntrans-1054.4-177.363.60000114.2D40 T45D40-S43 WeakPolarHBondContact CB-OG 3.32Å; D40-S43 VanDerWaalsContact OD2-CB 3.32Å; D40-S43 WeakPolarHBondContact OD2-CB 3.32Å; D40-S43 PolarHBondContact OD2-OG 2.95Å; S43-T45 PolarHBondContact O-N 2.85Å; S43-T45 PolarHBondContact O-OG1 3.38Å; S43-T45 VanDerWaalsContact O-OG1 3.08Å; S43-T45 WeakPolarHBondContact OG-CB 3.37Å; S43-T45 PolarHBondContact OG-OG1 3.21Å
44S80.9Confident92.7Very high114 Ų11464.2 Ų64.280%0.79737%0.371SS*.THydrogen-bonded Turntrans52.426.6-173.9-60.40000113.6D40D40-S44 PolarHBondContact O-N 2.74Å
45T90.3Very high92.7Very high56 Ų5669.6 Ų69.634%0.34439%0.391SS..EExtended strand (participates in β ladder)trans-106.8132.5-175.3-58.10000110.1A39 D40 S43 Y47A39-T45 WeakPolarHBondContact CA-O 3.35Å; D40-T45 PolarHBondContact N-O 2.92Å; D40-T45 PolarHBondContact O-N 2.88Å; S43-T45 PolarHBondContact O-N 2.85Å; S43-T45 PolarHBondContact O-OG1 3.38Å; S43-T45 VanDerWaalsContact O-OG1 3.08Å; S43-T45 WeakPolarHBondContact OG-CB 3.37Å; S43-T45 PolarHBondContact OG-OG1 3.21Å; T45-Y47 HydrophobicContact CG2-CD1 4.29Å; T45-Y47 HydrophobicContact CG2-CD2 4.48Å; T45-Y47 HydrophobicContact CG2-CE1 3.64Å; T45-Y47 HydrophobicContact CG2-CE2 3.86Å; T45-Y47 WeakPolarHBondContact CG2-OH 3.36Å
46A93.9Very high92.5Very high16 Ų1674.2 Ų74.213%0.13241%0.412CS..EExtended strand (participates in β ladder)trans-105.3145.417100000109.6M1 W3 I18M1-A46 HydrophobicContact CB-CB 4.02Å; M1-A46 HydrophobicContact CG-CB 3.7Å; W3-A46 HydrophobicContact CZ2-CB 4.49Å; I18-A46 HydrophobicContact CG2-CB 4.2Å
47Y95.9Very high92.3Very high110 Ų11071.1 Ų71.143%0.43139%0.393SS..EExtended strand (participates in β ladder)trans-124.5150-179.5-52.9-88000110.3L37 T38 D40 T45L37-Y47 WeakPolarHBondContact CA-O 3.36Å; T38-Y47 PolarHBondContact N-O 2.88Å; T38-Y47 PolarHBondContact O-N 3.01Å; D40-Y47 HydrophobicContact CB-CE2 3.92Å; T45-Y47 HydrophobicContact CG2-CD1 4.29Å; T45-Y47 HydrophobicContact CG2-CD2 4.48Å; T45-Y47 HydrophobicContact CG2-CE1 3.64Å; T45-Y47 HydrophobicContact CG2-CE2 3.86Å; T45-Y47 WeakPolarHBondContact CG2-OH 3.36Å
48M97.3Very high92.3Very high33 Ų3372.3 Ų72.316%0.16340%0.402CS..EExtended strand (participates in β ladder)trans-126.9119.1167.7173.7174.269.800107.6W3 I15 A35 T36 L37 L50 Y61W3-M48 HydrophobicContact CB-SD 3.78Å; W3-M48 HydrophobicContact CD2-CB 3.65Å; W3-M48 HydrophobicContact CD2-CE 4.11Å; W3-M48 HydrophobicContact CD2-CG 4.41Å; W3-M48 HydrophobicContact CD2-SD 3.94Å; W3-M48 HydrophobicContact CE3-CB 3.92Å; W3-M48 HydrophobicContact CE3-CE 3.53Å; W3-M48 HydrophobicContact CE3-SD 4.01Å; W3-M48 HydrophobicContact CG-CB 4.15Å; W3-M48 HydrophobicContact CG-SD 3.87Å; W3-M48 HydrophobicContact CH2-CB 4.07Å; W3-M48 HydrophobicContact CZ2-CB 3.81Å; W3-M48 HydrophobicContact CZ3-CB 4.12Å; W3-M48 HydrophobicContact CZ3-CE 4.04Å; I15-M48 HydrophobicContact CD1-CE 3.98Å; I15-M48 HydrophobicContact CD1-SD 3.64Å; I15-M48 HydrophobicContact CG2-SD 4.04Å; A35-M48 HydrophobicContact CB-CG 4.43Å; A35-M48 HydrophobicContact CB-SD 4.48Å; T36-M48 WeakPolarHBondContact O-CA 3.08Å; L37-M48 HydrophobicContact CD2-CB 3.7Å; L37-M48 HydrophobicContact CD2-CG 3.66Å; L37-M48 HydrophobicContact CD2-SD 4.12Å; M48-L50 HydrophobicContact CE-CD1 4.22Å; M48-L50 HydrophobicContact CE-CD2 4.28Å; M48-L50 HydrophobicContact CE-CG 4.28Å; M48-L50 HydrophobicContact CG-CD2 4.14Å; M48-L50 HydrophobicContact CG-CG 4.3Å; M48-L50 HydrophobicContact SD-CD2 4.05Å; M48-Y61 HydrophobicContact CE-CD1 3.52Å; M48-Y61 HydrophobicContact CE-CE1 4.18Å; M48-Y61 HydrophobicContact CE-CG 4.22Å
49Q97.5Very high92.4Very high133 Ų13369.4 Ų69.462%0.62139%0.385SS*.EExtended strand (participates in β ladder)trans-95.7126.9170.1-177.2177.8-5.800108.4A35 T36A35-Q49 CarbonylContact C-O 3.56Å; A35-Q49 WeakPolarHBondContact CA-O 3.3Å; T36-Q49 PolarHBondContact N-O 3.19Å; T36-Q49 PolarHBondContact O-N 3.46Å
50L96.4Very high92.6Very high44 Ų4470 Ų7023%0.2339%0.385CS..EExtended strand (participates in β ladder)trans-104135.8174.6-66.4174000109.8K34 A35 M48 L53 Y61K34-L50 CarbonylContact O-C 3.55Å; K34-L50 VanDerWaalsContact O-CA 3.3Å; K34-L50 WeakPolarHBondContact O-CA 3.49Å; A35-L50 HydrophobicContact CB-CD2 3.97Å; M48-L50 HydrophobicContact CE-CD1 4.22Å; M48-L50 HydrophobicContact CE-CD2 4.28Å; M48-L50 HydrophobicContact CE-CG 4.28Å; M48-L50 HydrophobicContact CG-CD2 4.14Å; M48-L50 HydrophobicContact CG-CG 4.3Å; M48-L50 HydrophobicContact SD-CD2 4.05Å; L50-L53 HydrophobicContact CB-CD1 3.85Å; L50-L53 HydrophobicContact CB-CD2 3.9Å; L50-L53 HydrophobicContact CB-CG 4.04Å; L50-L53 HydrophobicContact CD1-CD1 4.09Å; L50-L53 HydrophobicContact CD1-CD2 4.36Å; L50-L53 HydrophobicContact CG-CD2 4.49Å; L50-Y61 HydrophobicContact CD1-CD1 4.22Å; L50-Y61 HydrophobicContact CD1-CE1 3.67Å; L50-Y61 HydrophobicContact CD1-CE2 4.33Å; L50-Y61 HydrophobicContact CD2-CE1 4.43Å
51S95.2Very high92.9Very high48 Ų4868 Ų6834%0.33637%0.373SS..  trans-130.2157.3178.1570000111.2K34 L53K34-S51 PolarHBondContact O-N 2.79Å; K34-S51 PolarHBondContact O-OG 3.22Å; S51-L53 PolarHBondContact O-N 2.88Å
52S92.4Very high93.6Very high103 Ų10363.4 Ų63.472%0.7235%0.353SS*.SBendtrans52.640.7176.1-54.80000113.7
53L93.5Very high94.2Very high50 Ų5060.5 Ų60.526%0.26233%0.332SS..  trans-71.8143.5-178.5-64.5-175.4000111.6L50 S51 D57 V81 V83L50-L53 HydrophobicContact CB-CD1 3.85Å; L50-L53 HydrophobicContact CB-CD2 3.9Å; L50-L53 HydrophobicContact CB-CG 4.04Å; L50-L53 HydrophobicContact CD1-CD1 4.09Å; L50-L53 HydrophobicContact CD1-CD2 4.36Å; L50-L53 HydrophobicContact CG-CD2 4.49Å; S51-L53 PolarHBondContact O-N 2.88Å; L53-D57 HydrophobicContact CB-CB 4.24Å; L53-D57 HydrophobicContact CD2-CB 3.75Å; L53-D57 HydrophobicContact CG-CB 4.48Å; L53-V81 HydrophobicContact CD1-CG1 4.35Å; L53-V83 HydrophobicContact CB-CG1 4.41Å; L53-V83 HydrophobicContact CB-CG2 3.93Å; L53-V83 HydrophobicContact CD1-CG2 4Å
54T94.3Very high94.8Very high61 Ų6158 Ų5837%0.37432%0.315SS..  trans-115.6173.8172.269.70000110.8E56 D57 V83T54-E56 PolarHBondContact O-N 3.26Å; T54-E56 VanDerWaalsContact O-N 3.1Å; T54-D57 PolarHBondContact N-OD2 2.85Å; T54-D57 WeakPolarHBondContact O-CA 3.39Å; T54-D57 WeakPolarHBondContact O-CB 3.34Å; T54-D57 PolarHBondContact O-N 3.36Å; T54-V83 WeakPolarHBondContact O-CB 3.44Å
55Y94.9Very high95.3Very high165 Ų16560.4 Ų60.465%0.64731%0.306SS*.G310 helixtrans-54.6-31.1177.277.7-84.9000112.9D57 S58 V83Y55-D57 PolarHBondContact O-N 3.45Å; Y55-S58 WeakPolarHBondContact O-CB 3.48Å; Y55-S58 PolarHBondContact O-N 2.99Å; Y55-S58 VanDerWaalsContact O-N 3.17Å; Y55-S58 PolarHBondContact O-OG 3.17Å; Y55-S58 VanDerWaalsContact O-OG 3.12Å; Y55-V83 WeakPolarHBondContact CA-O 3.41Å
56E92Very high95.2Very high99 Ų9961.1 Ų61.146%0.46331%0.306SS..G310 helixtrans-67.9-12.1176.5-58.7-173.3-178.500113.6K5 R7 T54K5-E56 PolarHBondContact NZ-O 2.78Å; R7-E56 VanDerWaalsContact CZ-O 3.29Å; R7-E56 PolarHBondContact NE-O 3.17Å; R7-E56 PolarHBondContact NH2-O 3.19Å; T54-E56 PolarHBondContact O-N 3.26Å; T54-E56 VanDerWaalsContact O-N 3.1Å
57D94.5Very high94.6Very high4 Ų462.9 Ų62.92%0.02131%0.313CS..G310 helixtrans-84.9-10.9175.6-65-50.5000114.3K5 K34 L53 T54 Y55 A59 Y61K5-D57 WeakPolarHBondContact CE-O 3.46Å; K5-D57 IonicContact NZ-OD1 3.76Å; K5-D57 PolarHBondContact NZ-OD1 2.78Å; K34-D57 IonicContact NZ-OD1 3.3Å; K34-D57 PolarHBondContact NZ-OD1 2.99Å; K34-D57 IonicContact NZ-OD2 2.69Å; K34-D57 PolarHBondContact NZ-OD2 2.85Å; L53-D57 HydrophobicContact CB-CB 4.24Å; L53-D57 HydrophobicContact CD2-CB 3.75Å; L53-D57 HydrophobicContact CG-CB 4.48Å; T54-D57 PolarHBondContact N-OD2 2.85Å; T54-D57 WeakPolarHBondContact O-CA 3.39Å; T54-D57 WeakPolarHBondContact O-CB 3.34Å; T54-D57 PolarHBondContact O-N 3.36Å; Y55-D57 PolarHBondContact O-N 3.45Å; D57-A59 PolarHBondContact O-N 3.37Å; D57-A59 VanDerWaalsContact O-N 3.15Å; D57-Y61 PolarHBondContact O-OH 2.89Å
58S96.9Very high93.7Very high33 Ų3366 Ų6623%0.23134%0.337CS..  trans-57.3119.2174.2-60.50000111.7Y55 V81 V83Y55-S58 WeakPolarHBondContact O-CB 3.48Å; Y55-S58 PolarHBondContact O-N 2.99Å; Y55-S58 VanDerWaalsContact O-N 3.17Å; Y55-S58 PolarHBondContact O-OG 3.17Å; Y55-S58 VanDerWaalsContact O-OG 3.12Å; S58-V81 VanDerWaalsContact CA-O 3.29Å; S58-V81 WeakPolarHBondContact CA-O 3.24Å; S58-V83 PolarHBondContact OG-N 2.87Å; S58-V83 PolarHBondContact OG-O 2.88Å
59A97.7Very high93Very high7 Ų770.4 Ų70.46%0.05837%0.366CS..EExtended strand (participates in β ladder)trans-170.3169.5-171.600000111.1K5 Q6 R7 D57 Y61 V81K5-A59 HydrophobicContact CD-CB 4.07Å; K5-A59 HydrophobicContact CG-CB 3.42Å; K5-A59 VanDerWaalsContact CG-CB 3.42Å; Q6-A59 WeakPolarHBondContact O-CA 3.48Å; Q6-A59 VanDerWaalsContact O-CB 3.24Å; Q6-A59 WeakPolarHBondContact O-CB 3.44Å; R7-A59 HydrophobicContact CG-CB 4.15Å; D57-A59 PolarHBondContact O-N 3.37Å; D57-A59 VanDerWaalsContact O-N 3.15Å; A59-Y61 HydrophobicContact CB-CD2 4.32Å; A59-Y61 HydrophobicContact CB-CE2 3.83Å; A59-Y61 WeakPolarHBondContact O-CD2 3.38Å; A59-V81 PolarHBondContact N-O 2.87Å; A59-V81 PolarHBondContact O-N 2.99Å
60V98.4Very high92.1Very high43 Ų4366 Ų6626%0.26136%0.356SS..EExtended strand (participates in β ladder)trans-88.5132.6162-1710000108.7Q6 Y62 T79Q6-V60 PolarHBondContact N-O 2.81Å; Q6-V60 PolarHBondContact O-N 2.85Å; V60-Y62 HydrophobicContact CB-CE2 3.73Å; V60-Y62 HydrophobicContact CG1-CD2 4.26Å; V60-Y62 HydrophobicContact CG1-CE1 3.93Å; V60-Y62 HydrophobicContact CG1-CE2 3.53Å; V60-Y62 WeakPolarHBondContact CG1-OH 3.49Å; V60-T79 WeakPolarHBondContact CA-O 3.3Å
61Y98.4Very high91.5Very high12 Ų1265.5 Ų65.55%0.04736%0.358CS..EExtended strand (participates in β ladder)trans-111.1129.7179.5-71.1-97.6000109.8V4 K5 I15 M48 L50 D57 A59 G78 T79 V81V4-Y61 CarbonylContact O-C 3.6Å; V4-Y61 WeakPolarHBondContact O-CA 3.47Å; K5-Y61 HydrophobicContact CB-CD1 4.21Å; K5-Y61 HydrophobicContact CB-CE1 4.04Å; K5-Y61 HydrophobicContact CD-CE1 4.04Å; K5-Y61 HydrophobicContact CG-CD1 4.33Å; K5-Y61 HydrophobicContact CG-CE1 3.89Å; K5-Y61 HydrophobicContact CG-CE2 4.42Å; I15-Y61 HydrophobicContact CD1-CD1 3.67Å; I15-Y61 HydrophobicContact CD1-CE1 3.76Å; M48-Y61 HydrophobicContact CE-CD1 3.52Å; M48-Y61 HydrophobicContact CE-CE1 4.18Å; M48-Y61 HydrophobicContact CE-CG 4.22Å; L50-Y61 HydrophobicContact CD1-CD1 4.22Å; L50-Y61 HydrophobicContact CD1-CE1 3.67Å; L50-Y61 HydrophobicContact CD1-CE2 4.33Å; L50-Y61 HydrophobicContact CD2-CE1 4.43Å; D57-Y61 PolarHBondContact O-OH 2.89Å; A59-Y61 HydrophobicContact CB-CD2 4.32Å; A59-Y61 HydrophobicContact CB-CE2 3.83Å; A59-Y61 WeakPolarHBondContact O-CD2 3.38Å; Y61-G78 CarbonylContact O-C 3.55Å; Y61-G78 VanDerWaalsContact O-CA 3.25Å; Y61-G78 WeakPolarHBondContact O-CA 3.48Å; Y61-T79 PolarHBondContact N-O 2.92Å; Y61-T79 PolarHBondContact O-N 2.67Å; Y61-V81 HydrophobicContact CD2-CB 3.82Å; Y61-V81 HydrophobicContact CD2-CG2 3.63Å; Y61-V81 HydrophobicContact CE2-CB 3.73Å; Y61-V81 HydrophobicContact CE2-CG1 4.47Å; Y61-V81 HydrophobicContact CE2-CG2 4Å; Y61-V81 HydrophobicContact CG-CG2 4.46Å
62Y98.1Very high91.1Very high43 Ų4366.2 Ų66.217%0.16936%0.357CS..EExtended strand (participates in β ladder)trans-117.9142.9-177-58.2-91000110.2W3 V4 Q6 V60 W75 G76W3-Y62 WeakPolarHBondContact CA-O 3.25Å; V4-Y62 PolarHBondContact N-O 3.27Å; V4-Y62 PolarHBondContact O-N 3.23Å; Q6-Y62 HydrophobicContact CB-CD2 4.48Å; Q6-Y62 HydrophobicContact CB-CE2 3.81Å; Q6-Y62 PolarHBondContact OE1-OH 3.12Å; V60-Y62 HydrophobicContact CB-CE2 3.73Å; V60-Y62 HydrophobicContact CG1-CD2 4.26Å; V60-Y62 HydrophobicContact CG1-CE1 3.93Å; V60-Y62 HydrophobicContact CG1-CE2 3.53Å; V60-Y62 WeakPolarHBondContact CG1-OH 3.49Å; Y62-W75 HydrophobicContact CD1-CE3 4.39Å; Y62-W75 HydrophobicContact CG-CE3 4.12Å; Y62-W75 HydrophobicContact CG-CZ3 4.29Å; Y62-G76 WeakPolarHBondContact CD1-O 3.16Å
63C96.5Very high90.9Very high44 Ų4465.8 Ų65.830%0.29735%0.346SS..EExtended strand (participates in β ladder)trans-95.7144.7157.961.40000109.1M1 H2 W3 G76M1-C63 HydrophobicContact SD-CB 4.04Å; H2-C63 CarbonylContact O-C 3.43Å; H2-C63 VanDerWaalsContact O-CA 3.3Å; H2-C63 WeakPolarHBondContact O-CA 3.45Å; W3-C63 HydrophobicContact CD2-CB 4.48Å; W3-C63 HydrophobicContact CE3-CB 4.17Å; W3-C63 HydrophobicContact CH2-CB 4.17Å; W3-C63 HydrophobicContact CZ2-CB 4.45Å; W3-C63 HydrophobicContact CZ3-CB 4.02Å; C63-G76 PolarHBondContact O-N 3.4Å
64A95.8Very high90.8Very high1 Ų171.1 Ų71.11%0.00836%0.364CS..EExtended strand (participates in β ladder)trans-136.9137.2174.800000110.9H2 M72 Y74 W75H2-A64 HydrophobicContact CB-CB 4.37Å; H2-A64 PolarHBondContact N-O 3.47Å; H2-A64 PolarHBondContact O-N 3.02Å; A64-M72 HydrophobicContact CB-CB 4.14Å; A64-M72 HydrophobicContact CB-CG 4.41Å; A64-M72 HydrophobicContact CB-SD 4.15Å; A64-Y74 CarbonylContact C-O 3.49Å; A64-Y74 WeakPolarHBondContact CA-O 3.39Å; A64-W75 HydrophobicContact CB-CD2 3.79Å; A64-W75 HydrophobicContact CB-CE3 4.06Å; A64-W75 HydrophobicContact CB-CG 4.23Å; A64-W75 HydrophobicContact CB-CH2 4.32Å; A64-W75 HydrophobicContact CB-CZ2 4.07Å; A64-W75 HydrophobicContact CB-CZ3 4.32Å
65R92Very high90.9Very high164 Ų16472.9 Ų72.962%0.61936%0.364SS*.EExtended strand (participates in β ladder)trans-97.4133.5178.2-178.4179.4175.2176.4-0.5109.6M1 Y74M1-R65 HydrophobicContact CE-CB 4.29Å; M1-R65 HydrophobicContact SD-CB 4.43Å; R65-Y74 PolarHBondContact N-O 3.24Å
66E86.9Confident91Very high71 Ų7166.3 Ų66.333%0.33235%0.346SS..EExtended strand (participates in β ladder)trans-80137.4172.1-162.2177.9-171.800109.4H2 Y17 G70 A71H2-E66 IonicContact NE2-OE2 3.38Å; H2-E66 PolarHBondContact NE2-OE2 2.8Å; Y17-E66 WeakPolarHBondContact CE2-OE2 3.46Å; E66-G70 WeakPolarHBondContact OE1-CA 3.29Å; E66-A71 CarbonylContact C-O 3.54Å; E66-A71 VanDerWaalsContact CA-O 3.26Å; E66-A71 WeakPolarHBondContact CA-O 3.32Å
67D81.5Confident91.2Very high53 Ų5370.3 Ų70.328%0.28337%0.365SS..  trans-89.8-175.4170.383.6-19.2000111.9V69 G70 A71 D73D67-V69 PolarHBondContact O-N 3.08Å; D67-V69 VanDerWaalsContact OD1-CG2 3.23Å; D67-V69 WeakPolarHBondContact OD1-CG2 3.33Å; D67-V69 PolarHBondContact OD1-N 3.41Å; D67-V69 VanDerWaalsContact OD2-CG2 3.26Å; D67-V69 WeakPolarHBondContact OD2-CG2 3.45Å; D67-G70 PolarHBondContact O-N 2.87Å; D67-G70 PolarHBondContact OD1-N 3.23Å; D67-G70 VanDerWaalsContact OD1-N 3.1Å; D67-A71 PolarHBondContact N-O 3.06Å; D67-A71 PolarHBondContact OD1-N 3.41Å; D67-D73 VanDerWaalsContact OD2-OD2 3.13Å
68D76.9Confident91.4Very high176 Ų17671.5 Ų71.594%0.94138%0.378SS*.THydrogen-bonded Turntrans-69.6-13.3-175.5-66.3-33.7000113.7
69V82.6Confident91.4Very high125 Ų12574.2 Ų74.276%0.75839%0.394SS*.THydrogen-bonded Turntrans-105.25.4177.5-600000113.3D67 A71D67-V69 PolarHBondContact O-N 3.08Å; D67-V69 VanDerWaalsContact OD1-CG2 3.23Å; D67-V69 WeakPolarHBondContact OD1-CG2 3.33Å; D67-V69 PolarHBondContact OD1-N 3.41Å; D67-V69 VanDerWaalsContact OD2-CG2 3.26Å; D67-V69 WeakPolarHBondContact OD2-CG2 3.45Å; V69-A71 HydrophobicContact CG2-CB 4.33Å
70G78.1Confident91.4Very high41 Ų4178 Ų7842%0.42342%0.419SS..SBendtrans8811.3176.200000114.6E66 D67E66-G70 WeakPolarHBondContact OE1-CA 3.29Å; D67-G70 PolarHBondContact O-N 2.87Å; D67-G70 PolarHBondContact OD1-N 3.23Å; D67-G70 VanDerWaalsContact OD1-N 3.1Å
71A84.4Confident91.4Very high33 Ų3377.8 Ų77.827%0.27342%0.418SS..  trans-88.3141.6178.900000111.3E66 D67 V69 D73E66-A71 CarbonylContact C-O 3.54Å; E66-A71 VanDerWaalsContact CA-O 3.26Å; E66-A71 WeakPolarHBondContact CA-O 3.32Å; D67-A71 PolarHBondContact N-O 3.06Å; D67-A71 PolarHBondContact OD1-N 3.41Å; V69-A71 HydrophobicContact CG2-CB 4.33Å; A71-D73 VanDerWaalsContact CB-OD2 3.28Å; A71-D73 WeakPolarHBondContact CB-OD2 3.32Å; A71-D73 PolarHBondContact O-N 3.36Å
72M88Confident91.3Very high63 Ų6382.4 Ų82.431%0.3145%0.448SS..EExtended strand (participates in β ladder)trans-88.573.1175-63.5-172.6-156.300109.6H2 A64 W75H2-M72 HydrophobicContact CB-CE 3.97Å; H2-M72 HydrophobicContact CB-SD 3.81Å; H2-M72 VanDerWaalsContact CG-CE 3.43Å; H2-M72 WeakPolarHBondContact ND1-CE 3.34Å; A64-M72 HydrophobicContact CB-CB 4.14Å; A64-M72 HydrophobicContact CB-CG 4.41Å; A64-M72 HydrophobicContact CB-SD 4.15Å; M72-W75 HydrophobicContact CB-CZ2 4.12Å; M72-W75 PolarHBondContact O-NE1 2.62Å; M72-W75 HydrophobicContact SD-CZ2 4.26Å
73D87.4Confident91.2Very high93 Ų9382 Ų8250%0.49745%0.45SS..EExtended strand (participates in β ladder)trans-85.5-25.1-172.4-58.7-55.2000113.8D67 A71D67-D73 VanDerWaalsContact OD2-OD2 3.13Å; A71-D73 VanDerWaalsContact CB-OD2 3.28Å; A71-D73 WeakPolarHBondContact CB-OD2 3.32Å; A71-D73 PolarHBondContact O-N 3.36Å
74Y92.2Very high91.1Very high163 Ų16384.9 Ų84.964%0.63947%0.471SS*.EExtended strand (participates in β ladder)trans-109.2119.9-179.1-59.1-86.5000110.9A64 R65A64-Y74 CarbonylContact C-O 3.49Å; A64-Y74 WeakPolarHBondContact CA-O 3.39Å; R65-Y74 PolarHBondContact N-O 3.24Å
75W96.1Very high90.4Very high97 Ų9793.8 Ų93.837%0.36753%0.533SS..EExtended strand (participates in β ladder)trans-115.4139.2180-69.970.9000111.1V4 L12 Y62 A64 M72V4-W75 HydrophobicContact CB-CH2 4.09Å; V4-W75 HydrophobicContact CB-CZ3 3.86Å; V4-W75 HydrophobicContact CG1-CH2 4.06Å; V4-W75 HydrophobicContact CG1-CZ3 4.01Å; V4-W75 HydrophobicContact CG2-CH2 3.75Å; V4-W75 HydrophobicContact CG2-CZ3 3.94Å; L12-W75 HydrophobicContact CD1-CH2 3.78Å; L12-W75 HydrophobicContact CD1-CZ2 4.4Å; L12-W75 HydrophobicContact CD1-CZ3 4.25Å; L12-W75 HydrophobicContact CD2-CZ3 4.46Å; Y62-W75 HydrophobicContact CD1-CE3 4.39Å; Y62-W75 HydrophobicContact CG-CE3 4.12Å; Y62-W75 HydrophobicContact CG-CZ3 4.29Å; A64-W75 HydrophobicContact CB-CD2 3.79Å; A64-W75 HydrophobicContact CB-CE3 4.06Å; A64-W75 HydrophobicContact CB-CG 4.23Å; A64-W75 HydrophobicContact CB-CH2 4.32Å; A64-W75 HydrophobicContact CB-CZ2 4.07Å; A64-W75 HydrophobicContact CB-CZ3 4.32Å; M72-W75 HydrophobicContact CB-CZ2 4.12Å; M72-W75 PolarHBondContact O-NE1 2.62Å; M72-W75 HydrophobicContact SD-CZ2 4.26Å
76G96.2Very high90.3Very high27 Ų2790.3 Ų90.328%0.27853%0.528SS..  trans-65.8161163.700000111.1Y62 C63 G78Y62-G76 WeakPolarHBondContact CD1-O 3.16Å; C63-G76 PolarHBondContact O-N 3.4Å; G76-G78 PolarHBondContact O-N 2.75Å; G76-G78 VanDerWaalsContact O-N 3.1Å
77Q97.4Very high90.5Very high184 Ų18491.3 Ų91.386%0.8654%0.539SS*.  trans-63.4-17.5178.5-63.4-59.3-5100113.4
78G97.4Very high91Very high28 Ų2893.4 Ų93.429%0.28955%0.553SS.*  trans86.3150.7-175.700000112.3Y61 G76Y61-G78 CarbonylContact O-C 3.55Å; Y61-G78 VanDerWaalsContact O-CA 3.25Å; Y61-G78 WeakPolarHBondContact O-CA 3.48Å; G76-G78 PolarHBondContact O-N 2.75Å; G76-G78 VanDerWaalsContact O-N 3.1Å
79T98Very high91.8Very high91 Ų9188.6 Ų88.656%0.55853%0.53SS*.EExtended strand (participates in β ladder)trans-124.7127.8175.4-87.40000109.1V60 Y61 V81V60-T79 WeakPolarHBondContact CA-O 3.3Å; Y61-T79 PolarHBondContact N-O 2.92Å; Y61-T79 PolarHBondContact O-N 2.67Å; T79-V81 HydrophobicContact CG2-CG2 4.19Å; T79-V81 PolarHBondContact O-N 3.13Å
80S97.9Very high92.4Very high85 Ų8586.3 Ų86.359%0.59452%0.516SS*.EExtended strand (participates in β ladder)trans-73.8125.7172.1-174.60000109.8
81V97.1Very high93.4Very high40 Ų4089.3 Ų89.324%0.24252%0.522CS..EExtended strand (participates in β ladder)trans-114.3124.2168.5-179.80000107.1L53 S58 A59 Y61 T79 V83L53-V81 HydrophobicContact CD1-CG1 4.35Å; S58-V81 VanDerWaalsContact CA-O 3.29Å; S58-V81 WeakPolarHBondContact CA-O 3.24Å; A59-V81 PolarHBondContact N-O 2.87Å; A59-V81 PolarHBondContact O-N 2.99Å; Y61-V81 HydrophobicContact CD2-CB 3.82Å; Y61-V81 HydrophobicContact CD2-CG2 3.63Å; Y61-V81 HydrophobicContact CE2-CB 3.73Å; Y61-V81 HydrophobicContact CE2-CG1 4.47Å; Y61-V81 HydrophobicContact CE2-CG2 4Å; Y61-V81 HydrophobicContact CG-CG2 4.46Å; T79-V81 HydrophobicContact CG2-CG2 4.19Å; T79-V81 PolarHBondContact O-N 3.13Å; V81-V83 HydrophobicContact CG1-CG2 4.39Å
82T97.1Very high94Very high109 Ų10993.4 Ų93.467%0.66954%0.54SS*.  trans-117.7129.4178.7-55.40000108.9
83V95.9Very high94.5Very high34 Ų3495.7 Ų95.721%0.20656%0.558CS.*  trans-119.5114.9178.7-174.50000107.2L53 T54 Y55 S58 V81L53-V83 HydrophobicContact CB-CG1 4.41Å; L53-V83 HydrophobicContact CB-CG2 3.93Å; L53-V83 HydrophobicContact CD1-CG2 4Å; T54-V83 WeakPolarHBondContact O-CB 3.44Å; Y55-V83 WeakPolarHBondContact CA-O 3.41Å; S58-V83 PolarHBondContact OG-N 2.87Å; S58-V83 PolarHBondContact OG-O 2.88Å; V81-V83 HydrophobicContact CG1-CG2 4.39Å
84S93.4Very high95.1Very high105 Ų10595.9 Ų95.973%0.73456%0.563SS**  trans-117.6153.4175.257.50000109.9
85S82.2Confident95.3Very high188 Ų18889.8 Ų89.8100%1.31556%0.556SS**  trans-71.50171.157.90000112.4

Retrieved 85 of 85 residues in 18.4 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).