Substrate Recognition and Motion Mode Analyses of PFV Integrase in Complex with Viral DNA via Coarse-Grained Models
Figure 2
Comparison and correlation of the experimental and calculated B-factors for the PFV IN and IN-DNA systems.
(A) Experimental and calculated B-factors for PFV IN system. (B) Correlation of experimental B-factors and the calculated values for PFV IN system. (C) Experimental and calculated B-factors for PFV IN-DNA system. (B) Correlation of experimental B-factors and the calculated values for PFV IN-DNA system. The number of 10∼374 represents the id of Cа atoms for PFV IN and the number of 375∼480 denotes viral DNA. Every base is described by P, C4’ and C2 atoms. Because the 5′ end of viral DNA (i.e. A1 and T20) has no P atoms, 106 (36×3−2 = 106) is enough for defining viral DNA.