Table 4 Rigidity analysis and conservation score analysis for protein 1bpi with residue mutations to alanine.
From: A conservation and rigidity based method for detecting critical protein residues
PDB ID | Mutation (WT, residue number, mutant) | WT Residue SASA (Å2) | ΔΔG | % Decrease of LRB upon in-silico mutation of residue to alanine | Critical by Conservation Score Analysis | Detected critical by Conservation Score or Rigidity Analysis | No. of Binding Partners |
|---|---|---|---|---|---|---|---|
1bpi | K46A | 177.11 | 0.1 | 0 | No | False Negative | 2 |
1bpi | R53A | 174.71 | -0.1 | 0 | Yes | True Positive | 2 |
1bpi | T54A | 68.66 | -0.1 | 1.3944223108 | No | True Positive | 2 |
1bpi | T32A | 114.38 | -0.1 | 0 | No | False Negative | 2 |
1bpi | E49A | 116.65 | -0.2 | 0 | No | False Negative | 1 |
1bpi | G56A | 20.42 | -0.2 | 0 | No | False Negative | 2 |
1bpi | G57A | 39.32 | -0.2 | 0 | No | False Negative | 0 |
1bpi | R17A | 211.65 | -0.3 | 0 | No | False Negative | 5 |
1bpi | K15A | 196.87 | -0.4 | 0 | No | False Negative | 5 |
1bpi | K41A | 105.59 | -0.4 | 0 | Yes | True Positive | 2 |
1bpi | D50A | 51.92 | -0.4 | 0 | No | False Negative | 1 |
1bpi | R42A | 167.75 | -0.5 | 3.5856573705 | No | True Positive | 2 |
1bpi | Q31A | 79.04 | -1.0 | 1.9920318725 | No | True Positive | 1 |
1bpi | G28A | 41.29 | -1.0 | 0 | No | False Negative | 1 |
1bpi | Y35A | 14.74 | -1.1 | 0 | Yes | False Negative | 2 |
1bpi | P13A | 70.66 | -1.2 | 0 | Yes | True Positive | 4 |
1bpi | Y10A | 73.8 | -1.2 | 0 | No | False Negative | 1 |
1bpi | V34A | 117.65 | -1.2 | 0 | No | False Negative | 3 |
1bpi | I18A | 98.24 | -1.5 | 0 | No | False Negative | 4 |
1bpi | S47A | 35.24 | -1.6 | 0.796812749 | Yes | True Positive | 1 |
1bpi | M52A | 122.96 | -1.7 | 0 | No | False Negative | 2 |
1bpi | G12A | 16.54 | -1.8 | 0 | No | False Negative | 4 |
1bpi | R20A | 36.99 | -1.8 | 12.9482071713 | Yes | True Positive | 2 |
1bpi | F22A | 21.02 | -2.0 | 2.5896414343 | Yes | True Positive | 0 |
1bpi | G36A | 0.25 | -2.1 | 0 | Yes | True Positive | 4 |
1bpi | I19A | 158 | -2.1 | 0 | No | False Negative | 3 |
1bpi | N24A | 35.71 | -2.2 | 2.7888446215 | Yes | True Positive | 0 |
1bpi | G37A | 36.14 | -2.3 | 0 | Yes | True Positive | 4 |
1bpi | N44A | 19.98 | -3.3 | 3.5856573705 | Yes | True Positive | 2 |