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![[Figure 2]](jv5022fig2mag.jpg)
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Figure 2
Molecular-dynamics simulation of the CB and Sp domains (amino acids 695–852). (a) R.m.s.d. values with respect to the starting conformation during 1 µs of simulation. (b) Superposition of eight conformations during the simulation: the conformation at time 0 (black) and seven contiguous snapshots from 465.6 to 475.2 ns (Δt = 1.6 ns). (c) Root-mean-square fluctuations (r.m.s.f.s) evidencing the mobility of Cα during the MD simulation (the positions of selected loops are reported). (d) Dynamic cross-correlation maps (DCCMs) evidencing the positive covariance (dark red color) of the β3–β4 loop with β7–β8 and β9–β10 and of the β1–β2 loop with β9–β10. |
![[Figure 2]](jv5022fig2.jpg)
 | STRUCTURAL BIOLOGY |
ISSN: 2059-7983
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