WHAT_CHECK validation
| Original PDB entry | Re-refined (only) | Re-refined and rebuilt |
1st generation packing quality1 | -0.206 | -0.200 | -0.142 |
2nd generation packing quality1 | -1.489 | -1.364 | -1.094 |
Ramachandran plot appearance1 | -1.669 | -0.400 | -0.070 |
Chi-1/Chi-2 rotamer normality1 | -2.650 | -2.473 | -1.813 |
Backbone conformation1 | 0.346 | 0.271 | 0.373 |
Bond length RMS Z-score2 | 0.299 | 0.529 | 0.431 |
Bond angle RMS Z-score2 | 0.619 | 0.756 | 0.672 |
Total number of bumps3 | 64 | 24 | 18 |
Unsatisfied H-bond donors/acceptors3 | 34 | 24 | 29 |
| Link | Link | Link |
1 Higher is better, 2 Should be lower than 1.000, 3 Fewer is better