TABLE 2.
Native contacts present (√) and not present (np) for the three unfolding simulations D-1, D-2, and D-3 over the last nanosecond
C-ter/N-ter helices nat. cont. | D-1 | D-2 | D-3 |
---|---|---|---|
Leu94-Gly6 | √ | √ | np |
-Ile9 | √ | √ | √ |
-Phe10 | √ | √ | np |
-Val11 | √ | √ | √ |
-Lys60 | √ | √ | √ |
Phe10-Tyr97 | √ | √ | √ |
-Leu98 | √ | √ | np |
Tyr97-Gly6 | √ | √ | √ |
Helix 60/protein nat. cont. | D-1 | D-2 | D-3 |
Leu68-Arg91 | np | np | np |
-Leu94 | np | √ | √ |
-Ile95 | np | np | √ |
-Leu98 | np | np | √ |
Leu68-Met80 | √ | np | √ |
-Phe82 | √ | √ | √ |
-Ile85 | np | √ | np |