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Table 1 Performance and optimal distance threshold of the proximity measures for detecting catalytic residues

From: Disentangling evolutionary signals: conservation, specificity determining positions and coevolution. Implication for catalytic residue prediction

Method

AUC average

Distance cutoff (Å)

p(SDPfox62)

0.703

12

p(XDET50)

0.736

8

p(ivET62)

0.835

7

p(ivET100)

0.640

7

p(rvET62)

0.878

5

p(rvET100)

0.875

7

p(MI62)

0.823

7

p(MI100)

0.833

7

p(C)

0.854

5

  1. The number of protein families included in SDPfox is 289, 298 in XDET and 424 in all other methods. “p” before the method’s name denotes “proximity”. The number following the method’s name denotes the MSA data set on which the method was evaluated (ie: 50 = MSA50). The optimal distance cut-off for the proximity sum was found using a grid-search as described in Methods.