Table 2 The most flexible/rigid active sites identified with the proposed method
Active site1 | EC code | #LC2 | Size | #align | %align3 | RMSD | Charge | Polarity | ASA |
|---|---|---|---|---|---|---|---|---|---|
The ten most flexible active sites | |||||||||
1powA | 1.2.3.3 | 22 | 11±2.4 | 7.7±3.1 | 68±28 | 0.5±0.5 | -0.8±1.1 | -1.0±0.8 | 441.9±70.3 |
1n2cB | 1.18.6.1 | 77 | 7±0.7 | 5.0±1.5 | 73±23 | 0.9±1.0 | -1.0±0.2 | 3.3±0.6 | 102.5±52.4 |
4mdhA | 1.1.1.37 | 36 | 8±1.7 | 5.4±1.6 | 68±22 | 0.3±0.3 | -1.0±0.0 | 0.8±0.7 | 98.8±37.3 |
1arzA | 1.3.1.26 | 28 | 9±1.0 | 6.4±2.0 | 69±21 | 0.6±0.8 | -0.1±0.7 | 1.7±1.5 | 458.6±105.1 |
1dhfA | 1.5.1.3 | 91 | 9±2.1 | 4.9±1.6 | 56±21 | 0.9±0.7 | -1.5±0.9 | 1.2±1.8 | 412.3±88.4 |
1getA | 1.8.1.7 | 35 | 17±5.7 | 11.7±5.1 | 73±20 | 0.3±0.2 | 0.3±1.0 | 5.8±1.9 | 380.2±104.4 |
1emdA | 1.1.1.37 | 111 | 9±2.0 | 5.4±1.6 | 61±20 | 1.0±0.8 | -1.7±0.8 | -0.2±1.1 | 105.1±41.5 |
1d4cA | 1.3.99.1 | 45 | 18±2.0 | 11.7±3.4 | 64±20 | 1.2±0.7 | 0.6±0.6 | -1.1±1.1 | 289.4±124.8 |
1a05A | 1.1.1.85 | 53 | 12±4.3 | 7.0±2.9 | 61±19 | 0.4±0.4 | -1.2±0.7 | 0.8±1.1 | 336.0±94.3 |
1n2cE | 1.18.6.1 | 45 | 7±1.2 | 6.0±0.5 | 88±18 | 1.2±0.7 | 0.4±0.7 | -2.4±0.9 | 124.8±53.3 |
The ten most rigid active sites | |||||||||
1dveA | 1.14.99.3 | 76 | 25±2.1 | 20.3±2.8 | 85±8 | 0.7±0.2 | -1.7±0.6 | 2.7±2.3 | 599.0±125.5 |
3nosA | 1.14.13.39 | 264 | 20±1.7 | 17.7±2.3 | 93±8 | 0.3±0.2 | 0.8±0.7 | 3.1±0.8 | 504.2±82.0 |
1dj1A | 1.11.1.5 | 68 | 15±2.7 | 12.3±1.7 | 88±8 | 0.2±0.1 | 0.1±0.5 | 2.7±1.5 | 301.6±55.0 |
1idtA | 1.5.1.34 | 28 | 9±0.4 | 8.1±0.8 | 94±7 | 0.2±0.1 | 2.3±0.5 | -3.3±0.8 | 286.2±68.3 |
7atjA | 1.11.1.7 | 39 | 14±1.1 | 12.6±1.0 | 95±6 | 0.2±0.1 | -1.0±0.0 | 0.4±0.5 | 280.4±58.8 |
1n2cA | 1.18.6.1 | 41 | 17±1.6 | 15.2±1.2 | 93±5 | 0.2±0.1 | 2.0±0.0 | -1.3±0.8 | 255.5±32.0 |
1fcbA | 1.1.2.3 | 20 | 19±2.8 | 16.6±1.6 | 94±5 | 0.3±0.1 | 0.7±0.8 | -0.4±0.9 | 281.2±63.6 |
1dodA | 1.14.13.2 | 35 | 11±0.9 | 9.9±0.8 | 98±4 | 0.3±0.2 | -0.4±0.5 | 2.3±0.8 | 66.7±11.3 |
2cpoA | 1.11.1.10 | 12 | 10±0.8 | 9.8±0.7 | 98±4 | 0.2±0.3 | -3.0±0.0 | -0.7±0.5 | 104.8±6.2 |
1aopA | 1.8.1.2 | 11 | 21±0.9 | 20.1±1.1 | 98±2 | 0.3±0.1 | 4.9±0.3 | -4.5±0.7 | 533.8±44.5 |