WHAT IF to remove this redundancy. Below, everything WHAT IF has so far read in will be listed. First the molecules are counted per molecule type. Thereafter the contents of every molecule will be listed. When WHAT IF reads a PDB file it reorders the molecules.
Every chain is called a molecule.
IF also calls all water molecules one single molecule. A AAAA A indicates residue is accessible For clarity, the sequence of the first chain was truncated and the output for the molecules 2 and 3 was removed.