Table 2.

Ligand entry/escape event properties for ″complete transit″ trajectories broken down by pathway and portal

Pathway*PortalPortal residues EntriesEscapes
Major (31)1 64 67 154 57
2101 104 139 143 146 14
3 71 74 75 82 85 8953
4 43 45 31
5 34 51 5502
Minor (7)67 134 137 22
7 16 20 24 118 119 01
818 21 7001
98 11 7901
  • *Pathway total entry/escape event count is given in parentheses.

  • Surface residues near the nine portals for ligand entry and escape in WT myoglobin shown in Fig. 1 Right. Residues in bold are those identified by mutagenesis (24) as greatly affecting ligand binding kinetics.