protein | traj# | pw# | rmin | N | k/ | expulsion | traj. |
+ | route | length/ | |||||
ligand | A | (kJ/mol.nm) | (residue#) | ps | |||
P450cam | |||||||
CAM | 9 | 1 | 0.02 | 100 | 600 | C' helix, G/H loop | 15.8 |
3 | 2a | 0.002 | 10 | 800 | F/G loop, | 11.2 | |
B' helix (via 87) | |||||||
6 | 2c | 0.008 | 40 | 700 | B', I and G helices | 7.4 | |
(via 98, 201) | |||||||
7 | 3 | 0.001 | 10 | 800 | E/F loop | ~50, | |
only last 25. 2ps shown |