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Table 1 This table shows the results for the 28 complexes in the test set

From: Protein docking with predicted constraints

  Unbound Bound
PDB ID 500 1000 2000 5000 500 1000 2000 5000
1gla 0 / 0 0 / 0 0 / 0 0 / 0 1 / 1 2 / 2 2 / 4 7 / 8
1y64 0 / 0 0 / 0 0 / 0 0 / 0 0 / 1 0 / 2 0 / 2 0 / 3
1akj 10 / 3 13 / 5 15 / 6 26 / 13 5 / 5 8 / 8 14 / 12 18 / 21
1s1q 0 / 0 0 / 0 0 / 0 0 / 0 4 / 12 5 / 16 6 / 30 8 / 41
3bp8 4 / 0 5 / 2 9 / 4 27 / 14 9 / 8 10 / 13 12 / 25 18 / 42
1pvh 0 / 0 0 / 0 0 / 0 0 / 0 2 / 1 2 / 1 3 / 2 5 / 3
2nz8 1 / 1 1 / 1 3 / 2 4 / 3 23 / 9 38 / 10 50 / 12 70 / 23
2j0t 2 / 2 3 / 2 7 / 3 11 / 7 10 / 5 12 / 5 20 / 8 30 / 20
7cei 0 / 1 0 / 1 0 / 1 0 / 4 5 / 1 6 / 1 7 / 1 7 / 1
1ijk 0 / 0 0 / 0 0 / 0 1 / 1 2 / 2 2 / 2 3 / 3 5 / 5
2o3b 0 / 0 0 / 0 0 / 0 10 / 4 0 / 0 0 / 0 0 / 0 1 / 1
1jwh 0 / 0 1 / 0 5 / 0 9 / 1 0 / 0 0 / 0 0 / 0 3 / 0
1i2m 0 / 0 0 / 0 0 / 0 3 / 0 1 / 1 3 / 1 6 / 3 12 / 6
2pcc 2 / 0 3 / 0 4 / 1 8 / 1 2 / 0 5 / 5 8 / 6 15 / 13
1h1v 0 / 0 0 / 0 0 / 0 0 / 0 2 / 2 3 / 3 5 / 6 10 / 8
1b6c 0 / 0 1 / 1 2 / 1 2 / 1 21 / 25 36 / 35 62 / 43 117 / 61
2hle 1 / 0 2 / 1 3 / 1 11 / 3 2 / 0 4 / 0 9 / 2 16 / 5
1bkd 0 / 0 0 / 0 0 / 0 0 / 0 19 / 6 35 / 9 67 / 15 106 / 20
1he1 11 / 6 18 / 12 30 / 17 53 / 34 32 / 3 42 / 5 77 / 9 140 / 17
1m10 16 / 5 19 / 5 27 / 11 54 / 17 36 / 9 54 / 14 75 / 17 106 / 22
1i4d 0 / 0 0 / 0 0 / 0 0 / 0 4 / 7 5 / 8 9 / 11 13 / 22
1azs 0 / 0 0 / 0 0 / 0 0 / 0 16 / 2 24 / 2 48 / 3 58 / 7
2sni 1 / 1 1 / 2 1 / 3 3 / 16 26 / 14 41 / 26 70 / 38 142 / 82
1gpw 0 / 1 2 / 1 2 / 3 13 / 10 25 / 14 42 / 22 73 / 26 132 / 41
1ofu 3 / 0 4 / 0 6 / 1 10 / 1 7 / 0 18 / 0 38 / 2 75 / 4
1z0k 1 / 1 3 / 1 16 / 4 39 / 20 36 / 17 58 / 27 92 / 43 179 / 85
1jzd 0 / 0 0 / 0 1 / 0 2 / 4 29 / 7 44 / 13 67 / 14 110 / 27
1fak 0 / 0 0 / 0 0 / 0 1 / 0 0 / 1 1 / 2 6 / 4 11 / 6
Av. gain 2,48 2,24 2,26 1,86 2,09 2,15 2,43 2,38
  1. The top five complexes are those for which no true contact was ranked in the highest ranking 100 predicted contacts and had no correct constraints among the 100 used in docking. Unbound and bound docking runs are split into several columns for different numbers of models retained, and each cell shows the number of acceptable models using constraints and without constraints. The bottom row shows the average gain in acceptable models in each case, given by the total number of acceptable models using constraints divided by the total without constraints (including all complexes, even those without correct constraints).