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Accessible Interaction Space

The accessible interaction space consistent with at least N restraints is depicted below. Use the slider to adjust N and the arrows on the side of the images to change the view.

14

Current Level (N): 2

Images were generated with UCSF Chimera.

Accessible Complexes

The table below lists the number of complexes consistent with at least N restraints as raw number and as fraction of all complexes.

Number of consistent restraints (N) Number of accessible complexes consistent with at least N restraints Fraction of accessible complexes consistent with at least N restraints
0 690155902 100.00 %
1 17982987 2.61 %
2 2902126 0.42 %
3 67256 0.01 %
4 1296 0.00 %
5 0 0.00 %

z-Score

The table below features the z-Score for each restraint. The higher the score, the more likely the restraint is a false-positive. Z-scores above 1.0 are explicitly mentioned in the output of DisVis.

# Restraint Average violated fraction Standard deviation Z-score
1 A40(CA)-B252(CA) 0.69 0.20 0.11
2 A90(CA)-B176(CA) 0.84 0.20 1.57
3 A135(CA)-B158(CA) 0.58 0.11 -1.01
4 A161(CA)-B132(CA) 0.61 0.16 -0.69
5 A252(CA)-B40(CA) 0.70 0.19 0.16
6 A176(CA)-B90(CA) 0.84 0.20 1.58
7 A158(CA)-B135(CA) 0.58 0.11 -1.00
8 A132(CA)-B161(CA) 0.61 0.16 -0.71

Violations

The table below shows how often a specific restraint is violated for complexes consistent with a number of restraints. The higher the violation fraction of a specific restraint, the more likely it is to be a false-positive. Column 1 shows the number of consistent restraints N, while each following column indicates the violation fractions of a specific restraint for complexes consistent with at least N restraints. Each row thus represents the fraction of all complexes consistent with at least N restraints that violated a particular restraint.

Number of consistent restraints (N) Restraint 1 Restraint 2 Restraint 3 Restraint 4 Restraint 5 Restraint 6 Restraint 7 Restraint 8
1 0.85 0.92 0.77 0.88 0.85 0.92 0.76 0.88
2 0.92 0.94 0.56 0.56 0.93 0.94 0.56 0.56
3 0.50 0.98 0.50 0.51 0.51 0.98 0.51 0.50
4 0.50 0.50 0.50 0.50 0.50 0.50 0.50 0.50
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This work is co-funded by the Horizon 2020 projects EOSC-hub and EGI-ACE (grant numbers 777536 and 101017567), BioExcel (grant numbers 823830 and 675728)
and by a computing grant from NWO-ENW (project number 2019.053).