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. 2013 Mar 23;22(6):734–744. doi: 10.1002/pro.2256

Table II.

Bound-to-Bound and Bound-to-Unbound RMSDs

RMSD between bound structures (Å) RMSD between bound and unbound structures (Å)


All atoms Interface All atoms Interface




Protein Ia SMb LMc I SM LM I SM LM I SM LM
RNase A
 min 0.3 0.3 0.3 0.1 0.1 0.2 0.7 0.8 0.7 0.3 0.3 0.4
 maxd 7.1 7.2 7.2 11.6 11.8 11.7 7.3 7.4 7.4 11.7 11.9 11.8
PTI
 min 0.1 0.1 0.3 0.0 0.0 0.2 1.0 1.0 0.9 1.1 1.1 1.0
 max 2.3 2.4 2.3 2.7 2.7 2.7 2.5 2.5 2.4 2.7 2.7 2.8
CheY
 min 0.6 0.6 0.6 0.5 0.5 0.6 1.9 1.9 1.8 1.6 1.6 1.3
 max 1.2 1.1 1.2 1.7 1.7 1.8 2.9 2.9 3.0 3.1 3.1 2.9
Ubiquitin
 min 0.3 0.1 0.4 0.4 0.1 0.5 1.0 1.0 0.9 1.1 1.1 1.0
 max 1.6 1.7 1.5 2.4 2.5 2.3 4.1 4.1 4.0 5.9 5.9 6.1
Ovomucoid
 min 0.6 0.6 0.7 0.5 0.5 0.5 1.2 1.1 0.9 1.3 1.2 1.1
 max 1.2 1.2 1.2 1.6 1.6 1.8 2.2 2.2 2.1 3.5 3.4 3.1
Lysozyme C
 min 0.2 0.2 0.4 0.1 0.1 0.2 0.8 0.8 0.8 0.7 0.7 0.7
 max 1.8 1.8 1.9 3.0 3.2 3.1 1.9 1.9 1.9 3.1 3.1 3.3
a

Initial (not minimized) protein structures.

b

Structures subjected to 50 steps of the steepest descent minimization (short minimization).

c

Structures subjected to 50 steps of the steepest descent minimization, followed by 104 steps of the Adopted Basis Newton–Raphson minimization (long minimization).

d

Minimum and maximum RMSDs.