Table II.
Bound-to-Bound and Bound-to-Unbound RMSDs
| RMSD between bound structures (Å) | RMSD between bound and unbound structures (Å) | |||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|
| All atoms | Interface | All atoms | Interface | |||||||||
| Protein | Ia | SMb | LMc | I | SM | LM | I | SM | LM | I | SM | LM |
| RNase A | ||||||||||||
| min | 0.3 | 0.3 | 0.3 | 0.1 | 0.1 | 0.2 | 0.7 | 0.8 | 0.7 | 0.3 | 0.3 | 0.4 |
| maxd | 7.1 | 7.2 | 7.2 | 11.6 | 11.8 | 11.7 | 7.3 | 7.4 | 7.4 | 11.7 | 11.9 | 11.8 |
| PTI | ||||||||||||
| min | 0.1 | 0.1 | 0.3 | 0.0 | 0.0 | 0.2 | 1.0 | 1.0 | 0.9 | 1.1 | 1.1 | 1.0 |
| max | 2.3 | 2.4 | 2.3 | 2.7 | 2.7 | 2.7 | 2.5 | 2.5 | 2.4 | 2.7 | 2.7 | 2.8 |
| CheY | ||||||||||||
| min | 0.6 | 0.6 | 0.6 | 0.5 | 0.5 | 0.6 | 1.9 | 1.9 | 1.8 | 1.6 | 1.6 | 1.3 |
| max | 1.2 | 1.1 | 1.2 | 1.7 | 1.7 | 1.8 | 2.9 | 2.9 | 3.0 | 3.1 | 3.1 | 2.9 |
| Ubiquitin | ||||||||||||
| min | 0.3 | 0.1 | 0.4 | 0.4 | 0.1 | 0.5 | 1.0 | 1.0 | 0.9 | 1.1 | 1.1 | 1.0 |
| max | 1.6 | 1.7 | 1.5 | 2.4 | 2.5 | 2.3 | 4.1 | 4.1 | 4.0 | 5.9 | 5.9 | 6.1 |
| Ovomucoid | ||||||||||||
| min | 0.6 | 0.6 | 0.7 | 0.5 | 0.5 | 0.5 | 1.2 | 1.1 | 0.9 | 1.3 | 1.2 | 1.1 |
| max | 1.2 | 1.2 | 1.2 | 1.6 | 1.6 | 1.8 | 2.2 | 2.2 | 2.1 | 3.5 | 3.4 | 3.1 |
| Lysozyme C | ||||||||||||
| min | 0.2 | 0.2 | 0.4 | 0.1 | 0.1 | 0.2 | 0.8 | 0.8 | 0.8 | 0.7 | 0.7 | 0.7 |
| max | 1.8 | 1.8 | 1.9 | 3.0 | 3.2 | 3.1 | 1.9 | 1.9 | 1.9 | 3.1 | 3.1 | 3.3 |
Initial (not minimized) protein structures.
Structures subjected to 50 steps of the steepest descent minimization (short minimization).
Structures subjected to 50 steps of the steepest descent minimization, followed by 104 steps of the Adopted Basis Newton–Raphson minimization (long minimization).
Minimum and maximum RMSDs.