Table 1

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

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


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.

Random walk. See Results section for a discussion.

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.

Haspel et al. BMC Structural Biology 2010 10(Suppl 1):S1   doi:10.1186/1472-6807-10-S1-S1

Open Data