Job results

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Job key iFZMIkJL
Job name Example job - 1FX2
PDBID 1FX2 - chain(s) A
Active site residues 906:A, 949:A
Job status Succeeded

There were 8 pockets predicted on the protein. They are shown in the table below.

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View AlloPred ranking Fpocket ranking NMA effect (all modes) NMA effect per residue (all modes) NMA effect (200 modes) NMA effect per residue (200 modes) NMA effect (100 modes) NMA effect per residue (100 modes) No res in pocket Dist to active (Angstrom) Fpocket score Druggability score Number of alpha spheres Total SASA Polar SASA Apolar SASA Volume Mean local hydrophobic density Mean alpha sphere radius Mean alpha sphere solvent access Apolar alpha sphere proportion Hydrophobicity score Volume score Polarity score Charge score Proportion of polar atoms Alpha sphere density Center of mass - alpha sphere max dist Flexibility Residues
0 2 4.76 x 10-2 2.98 x 10-3 2.33 x 10-2 1.45 x 10-3 1.94 x 10-2 1.21 x 10-3 16 15.8 24.111 0.054 56.0 96.084 64.686 31.398 219.702 15.684 3.611 0.487 0.339 11.125 3.812 8.0 0.0 45.161 3.524 8.929 0.038 908:A,1020:A,1060:A,1003:A,1016:A,1110:A,1111:A,1059:A,1112:A,1000:A,990:A,1004:A,993:A,989:A,909:A,986:A
1 6 4.58 x 10-2 3.52 x 10-3 1.87 x 10-2 1.44 x 10-3 1.42 x 10-2 1.09 x 10-3 13 12.7 14.554 0.056 38.0 57.019 38.904 18.114 137.912 9.0 3.328 0.42 0.263 34.077 4.769 6.0 1.0 48.0 3.058 7.819 0.0 972:A,1019:A,1021:A,969:A,968:A,1017:A,973:A,1109:A,1020:A,1018:A,1016:A,1061:A,983:A
2 1 4.81 x 10-2 3.21 x 10-3 2.41 x 10-2 1.61 x 10-3 2.13 x 10-2 1.42 x 10-3 15 20.0 27.159 0.019 92.0 550.862 338.319 212.543 977.987 8.625 3.938 0.486 0.174 3.067 3.733 7.0 0.0 51.064 6.176 14.505 0.472 1113:A,1112:A,997:A,1000:A,999:A,998:A,996:A,1115:A,1059:A,993:A,1114:A,1117:A,1116:A,1001:A,1118:A
3 0 4.64 x 10-2 3.57 x 10-3 2.18 x 10-2 1.68 x 10-3 1.83 x 10-2 1.41 x 10-3 13 12.9 30.12 0.624 65.0 211.908 88.413 123.495 420.575 30.0 4.257 0.622 0.477 35.154 3.846 5.0 2.0 34.375 2.79 6.908 0.402 1049:A,1120:A,1045:A,1048:A,952:A,1042:A,1043:A,1044:A,1122:A,945:A,1121:A,904:A,1052:A
4 5 4.67 x 10-2 3.59 x 10-3 2.1 x 10-2 1.62 x 10-3 1.68 x 10-2 1.29 x 10-3 13 5.1 14.929 0.023 46.0 326.57 199.769 126.801 961.789 1.0 4.676 0.577 0.043 -15.231 3.0 9.0 -1.0 66.667 4.751 11.113 0.23 914:A,910:A,948:A,949:A,911:A,1119:A,1022:A,906:A,909:A,907:A,950:A,1118:A,1115:A
5 4 4.59 x 10-2 3.83 x 10-3 2.12 x 10-2 1.77 x 10-3 1.68 x 10-2 1.4 x 10-3 12 14.4 16.442 0.029 44.0 237.293 144.306 92.987 632.34 10.0 3.875 0.496 0.25 15.417 3.667 7.0 -1.0 40.741 3.872 8.138 0.098 978:A,977:A,923:A,920:A,976:A,927:A,975:A,930:A,924:A,979:A,919:A,982:A
6 3 4.68 x 10-2 4.68 x 10-3 2.03 x 10-2 2.03 x 10-3 1.57 x 10-2 1.57 x 10-3 10 22.6 20.196 0.041 51.0 172.07 77.875 94.195 350.703 14.875 3.579 0.468 0.314 21.4 3.7 6.0 1.0 42.308 3.398 9.426 0.1 956:A,894:A,892:A,898:A,893:A,895:A,899:A,900:A,1032:A,955:A
7 7 4.65 x 10-2 5.81 x 10-3 2.03 x 10-2 2.53 x 10-3 1.59 x 10-2 1.99 x 10-3 8 19.5 11.961 0.016 40.0 207.958 116.04 91.918 353.436 4.0 3.589 0.48 0.125 11.5 4.375 6.0 0.0 45.833 3.955 9.196 0.305 1047:A,1046:A,1026:A,1050:A,1049:A,1095:A,1093:A,1094:A

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