Table 1.
Description of flexible receptor docking models.
| Name for Flex Protein Model |
N Degrees of Freedom |
Description | N Flex Backbone Residues |
N Flex Side Chains |
Residues Composing Flexible Backbone Segments |
|---|---|---|---|---|---|
| TAMD model 1 | 271 | flex side chains only | 0 | 75 | none |
| TAMD model 2 | 295 | 1 flex loop + flex side chains | 12 | 75 | DFG Loop:165-177 |
| TAMD model 3 | 317 | 2 flex loops + flex side chains | 23 | 75 | P-Loop:30-41, DFG Loop:165-177 |
| TAMD model 4 | 430 | 6 flex backbone segments | 83 | 75 | 30-41,49-55,67-89,103-115,137-157,165-177 |
| TAMD model 5 | 514 | 4 flex backbone seg. | 103 | N/A | 30-41,49-89,103-115,137-177 |
| TAMD model 6 | 604 | 2 flex larger backbone seg. | 125 | N/A | 30-115,137-177 |
| TAMD model 7 | 720 | 1 huge flex backbone seg. | 147 | N/A | 30-177 |
| TAMD model 8 | 1,639 | entire protein flexible | 346 | N/A | 5-351 |
| MD model 2 | 2,817 | 1 flex loop + flex side chains | 12 | 75 | DFG Loop:165-177 |
| MD model 3 | 3,030 | 2 flex loops + flex side chains | 23 | 75 | P-Loop:30-41, DFG Loop:165-177 |
| MD model 4 | 4,149 | 6 flex backbone segments | 83 | 75 | 30-41,49-55,67-89,103-115,137-157,165-177 |
| MD model 8 | 16,788 | entire protein flexible | 346 | N/A | 5-351 |