: distribution of radius of gyration in the ensemble from ... s1: the ramachandran plots of backbone...
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Figure S1: The Ramachandran plots of backbone dihedral angles of alanine, ϕ and ψ.
The left panel is collected from the loop segment library. The right panel is collected
from the CG simulation result.
Figure S2: Distribution of radius of gyration in the ensemble from atomistic (AA; solid
line), fMD (dashed line) and pure-CG (dotted line) simulation of (A) PRR1 (Residue
71-80), (B) PRR3 (Residue 71-80), and (C) AD1 (Residue 71-80) segments.
Movie S1: All atom simulation trajectory of AD1
Movie S2: All atom simulation trajectory of PRR2
"./rama_plot_dist_p.dat" u 1:2:3
0 150-150
-150
0
150 "./rama_plot_dist_p.dat" u 1:2:3
4.0
6.0
0 150-1500.0
(×10-4)
2.0
φ
ψ
A B
Figure S1
2.0 4.0 6.0 8.0 10.0
Rg (Å)
Pro
babi
lity
0.00
0.01
0.02
0.03AA
fMDpure-CG
AA
0.0 4.0 8.0 12.00.00
0.01
0.02 MSCGpure-CG
Rg (Å)
Pro
babi
lity
fMD
2.0 4.0 6.0 8.0 10.0 12.00.00
0.01
0.02
0.03
0.04AA
pure-CG
Rg (Å)
Pro
babi
lity
A B
C
Figure S2