From: A spatio-temporal mining approach towards summarizing and analyzing protein folding trajectories
Protein | Name: GSGS or Beta3s; Primary sequence: 20 residues; Designed protein; Native fold: three stranded anti-parallel β-sheets with turns at 6–7 and 14–15 |
Trajectory | Five trajectories: T 1, T 2, T 3, T 4 and T 5; T 1 : 25, 664 conformations; T 2 : 30, 075 conformations; T 3 : 19, 649 conformations; T 4 : 25, 263 conformations; T 5 : 25, 664 conformations; |
Contact map | Based on contacts between α-carbons. Two α-carbons are in contact if their Euclidian distance is ≤ 8.5 Å |
Bit-patterns | A total of 50, 572 unique maximally connected bit-patterns were identified from all conformations; Average number of bit-patterns per conformation is 4; Bit-patterns are further classified into 12 approximately equivalent types |
Interacting bit-patterns | If at least one pair of α-carbons, one from each bit-pattern, is of Euclidian distance ≤ 10 Å |
Frequent SOAPs | A SOAP is frequent if it appears in ≥ 10 conformations; |