P I S A
Protein Interfaces, Surfaces and Assemblies
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P I S A |
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Protein Interfaces, Surfaces and Assemblies
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List of Monomers gives the summary of all monomeric units, identified in input data. The following data is displayed for each unit:
| Monomer | Monomer ID of the monomeric unit. |
|---|---|
| Class |
• "Protein" for polypeptide
chains • "RNA/DNA" for nucleic acid chains • "Ligand" for ligands |
| Type | Monomer's chemical-structural type. Same-type monomers are both chemically and structurally similar. The type is represented both numerically (1,2,3... on) and alphabetically ( A,B,C,...a,b,c" etc.). In alphabetic representation, capital letters are reserved for macromolecules, and small letters indicat ligands. Alphabetic type is given in brackets next to the numeric type value. |
| Nat | Total number of atoms in the monomer, as given in the input file (i.e., e.g., hydrogens do not count if they are not present in the file). |
| Nres | Total number of residues in the monomer, as given in the input file. |
| Sat | Total number of surface atoms in the monomer. An atom is considered to be on the surface if it makes contact with the solvent. |
| Sres | Total number of surface residues in the monomer. A residue is considered to be on the surface if it makes contact with the solvent. |
| Area | Monomer's total surface area, in square angstroms. |
| SEFD | Monomer's solvation energy of folding, in kcal/mol. This property corresponds to the energy gap between the linear and folded states of macromoleculare chains, therefore, it cannot be calculated for ligands. |