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Table 4 A summary of the BBA5 folding trajectories.

From: A spatio-temporal mining approach towards summarizing and analyzing protein folding trajectories

Protein PDB Identifier: BBA5; Primary sequence: 23 residues; Designed protein;
Native fold: N-terminal 1–10 β hairpin, C-terminal 11–23 α-helix
Trajectory Two trajectories: T 23 and T 24;
T 23: 192 conformations; T 24: 150 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 352 unique maximally connected bit-patterns were identified from all conformations;
Average number of bit-patterns per conformation is 6;
Bit-patterns are further classified into 10 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 ≥ 5 conformations;
A total of 444 frequent SOAPs identified in trajectory T 23, and 258 in T 24
Consensus partial folding pathway We identified a consensus partial folding pathway across the two trajectories.
It is composed of 71 pairs of similar conformations, one from each trajectory