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Table 1 Isomap cluster analysis for Calmodulin, AdK and GroEL. The data is visualized in Fig. 3

From: Detecting intermediate protein conformations using algebraic topology

Cluster No.

Size

RMSD (1CTR)

RMSD (1CLL)

1

10

14.71±0.2

1.95±0.2

2

5

13.89±0.1

2.69±0.1

3

22

13.43±0.5

3.82±0.7

4

19

10.23±1.0

6.88±0.9

5

5

7.97±0.3

8.43±0.3

6

47

3.86±1.9

11.99±1.7

Cluster No.

Size

RMSD (1AKE)

RMSD (4AKE)

1

15

6.49±0.2

1.99±0.2

2

19

6.04±0.2

2.85±0.3

3

6

4.96±0.3

3.73±0.1

4

8

4.65±0.5

3.84±0.2

5

10

3.56±0.2

4.42±0.2

6

33

2.91±0.6

5.91±0.6

Cluster No.

Size

RMSD (1SX4)

RMSD (1SS8)

1

11

11.56±0.2

2.50±0.6

2

13

11.22±0.2

3.95±0.5

3

20

10.40±0.5

5.25±0.5

4

8

8.34±0.5

6.58±0.4

5

29

5.46±1.2

8.85±0.7

6

17

2.39±0.9

11.35±0.6

  1. The RMSD is measured by the cluster geometric center with respect to each one of the end points. The clusters numbers are sorted according to their RMSD (in Å) with respect to their original endpoints