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Table 1 Performance statistics for the AdK, RBP, CVN and GroEL complex examples

From: Tracing conformational changes in proteins

  AdK AdK RW RBP RBP RW CVN CVN RW GroEL GroEL RW
Initial lRMSD (Å) 6.95 6.95 4.06 4.06 16.01 16.01 14.64 14.64
#Residues 214 214 271 271 101 101 525 525
lRMSD after 1 hour (Å) 2.69±0.21 3.81±0.49 1.48±0.25 2.35±0.52 4.52±0.73 5.28±1.59 5.67±0.67 8.21±1.93
lRMSD after 2 hours (Å) 2.55±0.2 3.68±0.46 1.34±0.21 2.23±0.45 3.842±0.79 5.09±1.52 5.04±0.42 7.66±2.04
Final lRMSD (Å) 2.53±0.2 3.65±0.47 1.26±0.15 2.22±0.49 3.18±0.34 4.88±1.44 4.67±0.36 6.11±1.9
  1. The average ± (standard deviation) lRMSD data were taken over 80 runs where the top and bottom 10% outliers were removed from the original set of 100 runs.
  2. Random walk. See Results section for a discussion.
  3. This is the number of residues per monomer. As explained in the text, the symmetry is exploited to model the entire 7-ring complex, which has 7 x 525 = 3675 residues.