Table 4 A summary of the BBA5 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