| |
300 K
|
400 K
|
500 K
|
|---|
|
1URX
|
|
RMSD
|
1.34
|
2.47
|
3.94
|
|
RMSF
|
1.27
|
2.10
|
3.55
|
|
SASA
|
109.33
|
130.17
|
190.38
|
|
Protein–protein H-bond
|
69.94
|
54.55
|
45.88
|
|
Protein-solvent H-bond
|
199.77
|
145.02
|
97.32
|
|
VDW-force (protein)
|
− 1072.66
|
− 924.63
|
− 717.41
|
|
VDW-force (protein-water)
|
− 459.07
|
− 427.31
|
− 394.84
|
|
3WZ1
|
|
RMSD
|
1.80
|
1.97
|
4.74
|
|
RMSF
|
3.19
|
1.96
|
4.22
|
|
SASA
|
120.91
|
146.69
|
209.96
|
|
Protein–protein H-bond
|
76.83
|
61.18
|
47.85
|
|
Protein-solvent H-bond
|
216.39
|
155.81
|
112.68
|
|
VDW-force (protein)
|
− 1027.51
|
− 875.258
|
− 662.48
|
|
VDW-force (protein-water)
|
− 474.68
|
− 418.29
|
− 426.44
|
- SASA, H-bonds, VDW-force denote solvent accessible surface area, hydrogen bonds and Van Der Waals force, respectively. The values of SASA and VDW-force are given in Å and kcal/mol respectively
