Table 1.
List of segments for which the energy has been switched on or switched off during the rigid docking of FPR onto human α-thrombin
| Segment number | Residue number in the sequence | Chymotrypsin numbering | Energy turned off or turned on for experiment I | Energy turned off or turned on for experiment II |
|---|---|---|---|---|
| FRP | ||||
| 1. | 1-3 | 1-3 | ON | ON |
| Thrombin A chain | ||||
| 1. | 1-36 | 1-15 | OFF | OFF |
| Thromin B chain | ||||
| 1. | 1-40 | 16-54 | OFF | OFF |
| 2. | 41-44 | 55-58 | OFF | ON |
| 3. | 45-46 | 59-60 | OFF | OFF |
| 4. | 47-48 | 60A-60B | OFF | ON |
| 5. | 49-51 | 60C-60D | OFF | OFF |
| 6. | 52-54 | 60E-60H | OFF | ON |
| 7. | 55-89 | 60I-93 | OFF | OFF |
| 8. | 90-99 | 94-102 | OFF | ON |
| 9. | 100-140 | 103-140 | OFF | OFF |
| 10. | 141-156 | 141-151 | OFF | OFF |
| 11. | 157-175 | 152-170 | OFF | OFF |
| 12. | 176-180 | 171-175 | OFF | ON |
| 13. | 181-197 | 176-187 | OFF | OFF |
| 14. | 198-206 | 188-196 | ON | ON |
| 15. | 207-224 | 197-212 | OFF | OFF |
| 16. | 225-241 | 213-229 | ON | ON |
| 17. | 242-259 | 230-247 | OFF | OFF |
The residues of the active site of thrombin are listed in bold type, even though the energies of all of them were not turned on.