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Table 5 CLIPS-1D predictions for residue-positions in sIGPS (PDB-ID 1A53)

From: CLIPS-1D: analysis of multiple sequence alignments to deduce for residue-positions a role in catalysis, ligand-binding, or protein structure

Residue Position p CAT p LIG p STRUC p NOANN p-value Classification
        CS LBS STRUC
I 49 0.001 0.154 0.824 0.022 0.003    SC
E 51 0.806 0.075 0.114 0.005 0.020 CAT   
K 53 0.835 0.065 0.088 0.012 0.004 CAT   
K 55 0.051 0.544 0.197 0.208 0.011   SC  
S 56 0.017 0.170 0.801 0.012 0.004    SC
L 60 0.002 0.128 0.829 0.041 0.019    IA
A 77 0.006 0.172 0.810 0.011 0.018    FC
I 82 0.002 0.259 0.667 0.073 0.011    SR
T 84 0.002 0.111 0.881 0.007 0.003    N
L 108 0.006 0.106 0.863 0.024 0.012    SR
K 110 0.866 0.078 0.046 0.011 0.002 CAT   
F 112 0.146 0.053 0.788 0.014 0.020   STRUC FC
Q 118 0.007 0.114 0.872 0.008 0.002    FC
A 122 0.001 0.066 0.882 0.051 0.010    FC
A 127 0.024 0.193 0.776 0.008 0.022    N
L 131 0.001 0.071 0.920 0.008 0.006   STRUC SR
L 132 0.004 0.164 0.794 0.038 0.023    SR,FC
I 133 0.005 0.169 0.790 0.036 0.005    FC
L 137 0.007 0.151 0.813 0.029 0.020    SC,FC
L 157 0.001 0.105 0.886 0.008 0.010    SC,FC
E 159 0.899 0.048 0.050 0.003 0.005 CAT   
D 165 0.189 0.071 0.699 0.040 0.007    N
I 179 0.001 0.819 0.068 0.112 0.021   SCE  
N 180 0.098 0.770 0.116 0.016 0.016 LIG   
S 181 0.011 0.774 0.134 0.081 0.019   SCE  
L 184 0.009 0.157 0.818 0.016 0.020    IA
L 197 0.003 0.130 0.818 0.049 0.020    N
E 210 0.866 0.059 0.068 0.007 0.008   CAT  
S 211 0.738 0.168 0.087 0.007 0.005 CAT   
L 231 0.003 0.224 0.762 0.011 0.025   STRUC SC
I 232 0.006 0.835 0.059 0.099 0.017   LIG  
  1. The first two columns give the residue and its position in sIGPS. The following four columns list the probabilities for the residue's membership with CAT_sites, LIG_sites, STRUC_sites, or NOANN_sites. The column labeled "p-value" lists the p-value for the class with max(p CLASS ). The columns "CS" and "LBS" indicate the classification of known catalytic and ligand-binding sites. The last column lists the annotation deduced for residues predicted as STRUC_sites. Meaning of labels: "CAT", "LIG", "STRUC", residues predicted as CAT_sites, LIG_sites, or STRUC_sites, respectively. "SC" element of a stabilization center pair in sIGPS, "SCE" ditto in eIGPS, "SR" stabilization residue in sIGPS; see [36]. "FC" element of the folding core; see [37]. "IA" interaction with substrate; see [38]. "N" no function assigned.