Figure 3. Dihedral angles of Torsional Bonds of Simulated
Structures and Experimentally Determined Structure.
Dihedral angles of the most representative structure of model 21 of NMR
experiment were shown with blue line. Dihedral angles of initial
structure from the sequential search of torsional global energy minima
following the concept of cotranslational folding were shown with orange
line. Dihedral angles of final structure from the iterative optimization
according to the search sequence base on torsional property were shown
with yellow line. While experimental structure showed rather regular
oscillation along the 0ยบ line, simulated structures mainly showed
positive angles in the N-terminal region. Though initial structure and
final structure are similar, optimized structure showed strong deviation
in the C-terminal region.