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. 2011 Jul 21;7(7):e1002082. doi: 10.1371/journal.pcbi.1002082

Table 1. Percentages of conformational transitions between open and closed states for KD-AID and Mutants.

Protein Start State Total # Trajectories No transition Transition
KD-AID Open 90 100% 0%
KD-AID Mutant 1 Open 90 100% 0%
KD-AID Mutant 2 Open 90 92% 8%
KD-AID Mutant 2 Closed 70 83% 17%
KD-AID Mutant 3 Open 90 97% 3%
KD-AID Mutant 3 Closed 70 70% 30%
KD fragment Open 70 80% 20%
KD fragment Closed 70 91% 9%

Rows represent the different start states, open (3H4J) or closed (3DAE), for each protein (if accessible), the total number of 10 ns simulations starting from that configuration, and the percentage of observed outcomes that classify the final structure as open or closed.