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Table 2 Annotation of residue positions predicted in five enzymes as being important by H2rs and H2r

From: H2rs: Deducing evolutionary and functionally important residue positions by means of an entropy and similarity based analysis of multiple sequence alignments

Protein Residue H2rs H2r PSICOV Residue’s role
stTrpA L100 2.2 3.2 1 Near binding site
  S125 1.1 6.8 1 Stabilizes the active site
  L127 2.0   2 Near binding site
  A129 1.9 5.7 5 Near active site
  I153 0.9 4.6 1 Near active site
  L162 0.7 6.1 0 TrpA/TrpB interface
stTrpB P7 1.3 6.8 0 ND
  C62 2.2 7.3 0 ND
  G83 1.8 7.2 2 Near binding site
  T88 2.4   1 Near binding site
  Q90 2.4 7.5 0 Near binding site
  V91 2.1   0 Near binding site
  L121 1.8 6.3 1 ND
  C170 4.5   4 End of substrate tunnel
  T190 2.2   6 Metal binding site
  P257 2.2 6.7 0 Near metal ion
  G268 2.3   0 Coordination of ion binding
  F280 2.4 2.8 0 End of substrate tunnel
  M282 2.6   4 Near binding site
  S297 4.2   3 Near metal ion
  F306 -0.8 5.0 0 Metal binding site
  S308 2.4 8.5 0 Metal binding site
  Q312 2.9   0 ND
ssTrpC I48 2.4   3 ND
  A50 1.4 6.1 1 Near active site
  Y76 1.1 4.0 1 ND
  M109 1.9 4.3 2 Near active site
  I133 2.6 9.8 3 Catalytically important
  V134 2.3   2 Near active site
  I136 2.1   1 ND
  L142 2.7   1 Catalytically important
  N161 1.4 6.9 2 Near active site
  L187 1.8 4.6 1 Mutation L187A is neutral
  A209 2.1   3 Near binding site
  S234 2.1 9.5 4 Phosphate binding site
ecDHFR A9 2.2   2 Near active site
  W30 2.3   0 Binding site
  K32 2.3   0 Binding site
  M92 3.4   0 Near active site
  G121 2.7 2.8 0 Near active site
  D144 1.9 5.1 0 ND
  H149 2.1 4.4 0 Coupled motion
smHK T69 2.8   1 Domain interface
  A215 2.6   2 End of domain 1
  C217 2.7 13.9 0 End of domain 1
  A218 2.3   0 End of domain 1
  C224 2.2   0 Begin of domain 2
  V230 2.1   3 Near binding site
  V256 2.1   2 Domain interface
  K290 2.2   0 Near binding site
  D367 1.5 9.8 2 ND
  T409 2.4   1 Near C224
  V412 2.0   0 Near binding site
  1. For the enzymes stTrpA, stTrpB, ssTrpC, ecDHFR, and smHK, H2r and H2r were used to identify important residue positions. For these residues, annotation was deduced from literature. The first column lists the name of the enzyme. The second column gives the residue and its position. The third column gives the conz(k)-value deduced by H2rs from all U vNE ()-values based on a p-value of 10-11. The column H2r lists mean conn(k)-values resulting from 25 randomization tests. The column PSICOV lists the number of contacting pairs the residue belonged to. The last column lists the role of the residues, for details see Results. “ND” indicates that we did not find clues to the function of this residue.