Table 2. Free binding energy of modified knottins and peptide inhibitors with HCV NS3 protease.
|
Structure |
ΔG (kcal/mol) |
Std. Dev. |
Std. Err. of Mean |
|
4a1v |
-94.8 |
8.0885 |
0.3299 |
|
4a1x |
-66.29 |
9.1464 |
0.3731 |
|
KIT-1 |
-57.51 |
7.1557 |
0.2919 |
|
KIT-2 |
-60.03 |
8.5849 |
0.3502 |
|
KIT-3 |
-50.26 |
7.8532 |
0.3203 |
|
KIT-4 |
-37.54 |
10.8008 |
0.4406 |
|
KIT-5 |
-32.64 |
6.7975 |
0.2773 |
|
KIT-2_D-Leu12 |
-32.38 |
7.3634 |
0.3004 |
|
KIT-2_D-Lys13 |
-39.29 |
8.8837 |
0.3624 |
|
KIT-2_D-Lys14 |
-40.58 |
7.1895 |
0.2933 |