Table 2.
A performance appraisal of Bhageerath web server for 50 small globular proteins
| Sl. No. | PDB ID (i) | Number of amino acids (ii) | Number of secondary structure elements (iii) | Number of structures accepted after Persistence length and Radius of gyration filters (iv) | Lowest RMSD in the final 100 structures (Å) (v) | Energy Rank of the lowest RMSD structure in 100 structures (vi) | After ProRegIn filter | After topology and accessible surface area filter | ||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Number of structures selected (Number of structures <6 Å) (vii) | Lowest RMSD (Å) (viii) | Energy Rank of the lowest RMSD structure in 100 structures (ix) | Number of structures selected (Number of structures <6 Å) (x) | Lowest RMSD (Å) (xi) | Energy Rank of the lowest RMSD structure in 10 structures (xii) | |||||||
| 1 | 1E0Q | 17 | 2E | 128 | 2.5 | 2 | 100 (29) | 2.5 | 2 | 10 (10) | 2.5 | 2 |
| 2 | 1B03 | 18 | 2E | 64 | 4.4 | 2 | 64 (5) | 4.4 | 2 | 10 (5) | 4.4 | 2 |
| 3 | 1WQC | 26 | 2H | 128 | 2.5 | 6 | 100 (53) | 2.5 | 6 | 10 (10) | 2.5 | 3 |
| 4 | 1RJU | 36 | 2H | 64 | 4.6 | 48 | 64 (3) | 4.6 | 48 | 10 (2) | 5.9 | 6 |
| 5 | 1EDM | 39 | 2E | 128 | 2.9 | 100 | 100 (59) | 2.9 | 100 | 10 (10) | 3.5 | 2 |
| 6 | 1AB1 | 46 | 2H | 128 | 2.4 | 10 | 100 (82) | 2.4 | 10 | 10 (10) | 2.9 | 6 |
| 7 | 1BX7 | 51 | 2E | 128 | 2.2 | 71 | 100 (85) | 2.2 | 71 | 10 (10) | 3.1 | 8 |
| 8 | 1B6Q | 56 | 2H | 128 | 3.1 | 27 | 100 (8) | 3.1 | 27 | 10 (5) | 3.1 | 10 |
| 9 | 1ROP | 56 | 2H | 128 | 4.3 | 2 | 100 (6) | 4.3 | 2 | 10 (2) | 4.3 | 2 |
| 10 | 1NKD | 59 | 2H | 128 | 3.8 | 8 | 100 (4) | 3.8 | 8 | 10 (4) | 3.8 | 6 |
| 11 | 1RPO | 61 | 2H | 128 | 3.8 | 2 | 100 (6) | 3.8 | 2 | 10 (4) | 3.8 | 2 |
| 12 | 1QR8 | 68 | 2H | 128 | 4.4 | 80 | 100 (3) | 4.4 | 80 | 10 (2) | 4.4 | 10 |
| 13 | 1FME | 28 | 1H,2E | 15 592 | 2.9 | 52 | 100 (90) | 2.9 | 52 | 10 (8) | 3.7 | 5 |
| 14 | 1ACW | 29 | 1H,2E | 15 726 | 3.9 | 97 | 100 (45) | 3.9 | 97 | 10 (5) | 5.1 | 8 |
| 15 | 1DFN | 30 | 3E | 13 174 | 4.4 | 77 | 98 (11) | 4.4 | 77 | 10 (4) | 5.0 | 1 |
| 16 | 1Q2K | 31 | 1H,2E | 16 020 | 4.2 | 46 | 100 (20) | 4.2 | 46 | 10 (4) | 4.2 | 9 |
| 17 | 1SCY | 31 | 1H,2E | 15 423 | 3.1 | 10 | 100 (40) | 3.1 | 10 | 10 (4) | 3.1 | 5 |
| 18 | 1XRX | 34 | 1E,2H | 14 630 | 3.9 | 28 | 100 (19) | 3.9 | 28 | 10 (1) | 5.6 | 1 |
| 19 | 1ROO | 35 | 3H | 1071 | 2.5 | 14 | 100 (100) | 2.5 | 14 | 10 (10) | 2.8 | 5 |
| 20 | 1YRF | 35 | 3H | 15 180 | 3.8 | 16 | 100 (62) | 3.8 | 16 | 10 (9) | 4.8 | 4 |
| 21 | 1YRI | 35 | 3H | 15 180 | 2.8 | 81 | 100 (70) | 2.8 | 81 | 10 (8) | 3.8 | 6 |
| 22 | 1VII | 36 | 3H | 16 380 | 3.7 | 7 | 100 (50) | 3.7 | 7 | 10 (6) | 3.7 | 2 |
| 23 | 1BGK | 37 | 3H | 14 139 | 3.8 | 33 | 100 (56) | 3.8 | 33 | 10 (8) | 4.1 | 3 |
| 24 | 1BHI | 38 | 1H,2E | 14 923 | 5.3 | 2 | 100 (5) | 5.3 | 2 | 10 (2) | 5.3 | 2 |
| 25 | 1OVX | 38 | 1H,2E | 12 074 | 3.2 | 8 | 100 (76) | 3.2 | 8 | 10 (5) | 4.0 | 1 |
| 26 | 1I6C | 39 | 3E | 2927 | 4.1 | 31 | 100 (32) | 4.1 | 31 | 10 (3) | 5.1 | 2 |
| 27 | 2ERL | 40 | 3H | 16 268 | 3.1 | 18 | 100 (32) | 3.1 | 18 | 10 (2) | 3.2 | 6 |
| 28 | 1RES | 43 | 3H | 16 135 | 4.0 | 30 | 100 (40) | 4.0 | 30 | 10 (7) | 4.2 | 2 |
| 29 | 2CPG | 43 | 1E,2H | 10 905 | 3.6 | 20 | 100 (18) | 3.6 | 20 | 10 (1) | 5.3 | 2 |
| 30 | 1DV0 | 45 | 3H | 14 488 | 4.0 | 20 | 100 (21) | 4.0 | 20 | 10 (1) | 5.1 | 4 |
| 31 | 1IRQ | 48 | 1E,2H | 11 592 | 3.5 | 74 | 100 (18) | 3.5 | 74 | 10 (1) | 5.3 | 9 |
| 32 | 1GUU | 50 | 3H | 13 410 | 4.5 | 74 | 100 (42) | 4.5 | 74 | 10 (7) | 4.6 | 6 |
| 33 | 1GV5 | 52 | 3H | 11 109 | 3.5 | 33 | 99 (24) | 3.5 | 33 | 10 (5) | 4.1 | 2 |
| 34 | 1GVD | 52 | 3H | 10 626 | 3.8 | 18 | 100 (35) | 3.8 | 18 | 10 (6) | 4.9 | 9 |
| 35 | 1MBH | 52 | 3H | 10 632 | 3.8 | 48 | 100 (24) | 3.8 | 48 | 10 (5) | 4.0 | 4 |
| 36 | 1GAB | 53 | 3H | 14 495 | 3.6 | 16 | 100 (12) | 3.6 | 16 | 10 (3) | 3.6 | 6 |
| 37 | 1MOF | 53 | 3H | 16 384 | 2.4 | 57 | 100 (96) | 2.4 | 57 | 10 (10) | 2.9 | 5 |
| 38 | 1ENH | 54 | 3H | 13 622 | 3.2 | 12 | 100 (23) | 3.2 | 12 | 10 (3) | 4.6 | 3 |
| 39 | 1IDY | 54 | 3H | 11 133 | 3.3 | 84 | 100 (52) | 3.3 | 84 | 10 (8) | 3.5 | 6 |
| 40 | 1PRV | 56 | 3H | 5468 | 4.4 | 55 | 99 (25) | 4.4 | 55 | 10 (7) | 4.9 | 9 |
| 41 | 1HDD | 57 | 3H | 12 849 | 3.2 | 74 | 100 (22) | 3.2 | 74 | 10 (2) | 4.8 | 8 |
| 42 | 1BDC | 60 | 3H | 11 255 | 4.2 | 44 | 100 (19) | 4.2 | 44 | 10 (2) | 4.8 | 5 |
| 43 | 1I5X | 61 | 3H | 16 384 | 2.6 | 29 | 99 (54) | 2.6 | 29 | 10 (10) | 2.6 | 6 |
| 44 | 1I5Y | 61 | 3H | 16 384 | 2.6 | 20 | 100 (48) | 2.6 | 20 | 10 (10) | 2.6 | 7 |
| 45 | 1KU3 | 61 | 3H | 5701 | 4.9 | 68 | 100 (14) | 4.9 | 68 | 10 (3) | 5.5 | 4 |
| 46 | 1YIB | 61 | 3H | 16 384 | 2.9 | 7 | 100 (75) | 2.9 | 7 | 10 (9) | 3.5 | 5 |
| 47 | 1AHO | 64 | 1H,2E | 2429 | 4.7 | 58 | 100 (15) | 4.7 | 58 | 10 (1) | 6.0 | 6 |
| 48 | 1DF5 | 68 | 3H | 16 384 | 3.1 | 10 | 100 (41) | 3.1 | 10 | 10 (6) | 3.1 | 8 |
| 49 | 1QR9 | 68 | 3H | 16 384 | 2.9 | 49 | 100 (33) | 2.9 | 49 | 10 (9) | 3.8 | 2 |
| 50 | 1AIL | 70 | 3H | 16 384 | 4.2 | 42 | 100 (5) | 4.2 | 42 | 10 (3) | 4.2 | 7 |