Table 1 Example decoy fold distribution for 3chy. Number of fold-types, strand and helix order in the fold (HI() denotes the helix order in layer I, SII() the strand order in layer II and HIII() the helix order in layer III), Number of models, Number of clusters and scores of the best model in each fold-type is detailed in this table. In the second column '-' denotes the change in the direction of the secondary structure element when compared to the native. F1 and F7 are correct folds and are in bold type.
From: Functional site prediction selects correct protein models
Fold type | Strand and helix order | No. of models in each fold type in 200 Models | No. of cluster with ≤2 Å RMSD; ≥60% PID cut-off | Score of the best Model |
|---|---|---|---|---|
Native structure | HI (1,5);SII(2,1,3,4,5);HIII (2,3,4) | - | - | 330.96 |
F1 | HI(1,5);SII(2,1,3,4,5);HIII(2,3,4) | 161 | 61 | 314.76 |
F2 | HI(-1,5);SII(2,-1,3,4,5);HIII(2,3,4) | 3 | 2 | 202.21 |
F3 | HI(1,5);SII(2,3,1,4,5);HIII(2,3,4) | 16 | 11 | 145.19 |
F4 | HI(1,-3,-4);SII(2,1,-3,-4,-5);HIII(-2,-5) | 2 | 2 | 150.83 |
F5 | HI(1,4);SII(2,3,1,4,-5);HIII(2,3,-5) | 1 | 1 | 108.62 |
F6 | HI(1,3,5);SII(2,1,4,3,5);HIII(2,4) | 11 | 7 | 250.20 |
F7 | HI(1,5);SII(2,1,3,4,5);HIII(2,3,4) | 5 | 4 | 260.29 |
F8 | HI(1,-5);SII(2,1,3,4,5);HIII(2,3,4) | 1 | 1 | 67.24 |