molstar
Version:
A comprehensive macromolecular library.
43 lines (42 loc) • 1.12 kB
JavaScript
/**
* Copyright (c) 2019 mol* contributors, licensed under MIT, See LICENSE file for more info.
*
* @author Sebastian Bittrich <sebastian.bittrich@rcsb.org>
*/
/** Chothia's amino acid and nucleotide atom vdw radii */
export const VdWLookup = [
-1.0, // 0: missing
1.76, // 1: trigonal C
1.87, // 2: tetrahedral C
1.65, // 3: trigonal N
1.50, // 4: tetrahedral N
1.40, // 5: O
1.85, // 6: S
1.80, // 7: C (nucleic)
1.60, // 8: N (nucleic)
1.40 // 9: P (nucleic)
]; // can still be appended on-the-fly for rare elements like selenium
/** Maximum accessible surface area observed for amino acids. Taken from: http://dx.doi.org/10.1371/journal.pone.0080635 */
export const MaxAsa = {
'ALA': 121.0,
'ARG': 265.0,
'ASN': 187.0,
'ASP': 187.0,
'CYS': 148.0,
'GLU': 214.0,
'GLN': 214.0,
'GLY': 97.0,
'HIS': 216.0,
'ILE': 195.0,
'LEU': 191.0,
'LYS': 230.0,
'MET': 203.0,
'PHE': 228.0,
'PRO': 154.0,
'SER': 143.0,
'THR': 163.0,
'TRP': 264.0,
'TYR': 255.0,
'VAL': 165.0
};
export const DefaultMaxAsa = 121.0;