Table I.
CI2 | Src SH3 | |||||||||
---|---|---|---|---|---|---|---|---|---|---|
Window | Structure | Locala | Nonlocalb | %Δc | ln (kf)d | Structure | Local | Nonlocal | %Δ | ln (kf) |
0 | unconstrained | 100 | −11.8 | unconstrained | 100 | −11.7 | ||||
1 | 2 | 5 | 94 | −11.7 | 1 | 4 | 115 | −11.9 | ||
2 | 3 | 4 | 94 | −11.7 | 1 | 9 | 48 | −11 | ||
3 | 3 | 5 | 59 | −11.2 | RT loop (extended 1) | 1 | 11 | 49 | −11 | |
4 | strands 1/2 | 2 | 9 | 47 | −11.0 | 2 | 12 | 49 | −11 | |
5 | 3 | 10 | 42 | −10.9 | 1 | 13 | 62 | −11.3 | ||
6 | 3 | 12 | 52 | −11.1 | 2 | 12 | 101 | −11.8 | ||
7 | 2 | 15 | 50 | −11.1 | 5 | 9 | 138 | −12.1 | ||
8 | 5 | 13 | 61 | −11.3 | 8 | 6 | 99 | −11.7 | ||
9 | 7 | 12 | 56 | −11.2 | RT loop (turn) | 9 | 5 | 100 | −11.7 | |
10 | 6 | 15 | 56 | −11.2 | 9 | 7 | 83 | −11.6 | ||
11 | 8 | 14 | 78 | −11.5 | 4 | 14 | 76 | −11.5 | ||
12 | 10 | 14 | 94 | −11.7 | 2 | 16 | 73 | −11.4 | ||
13 | helix | 9 | 14 | 93 | −11.7 | 0 | 17 | 98 | −11.7 | |
14 | 9 | 22 | 107 | −11.8 | RT loop (extended 2) | 2 | 15 | 49 | −11 | |
15 | 9 | 22 | 105 | −11.8 | 3 | 13 | 44 | −10.9 | ||
16 | 9 | 22 | 79 | −11.5 | 5 | 8 | 41 | −10.8 | ||
17 | 9 | 20 | 78 | −11.5 | 5 | 5 | 33 | −10.6 | ||
18 | 9 | 17 | 113 | −11.9 | 4 | 3 | 31 | −10.6 | ||
19 | 9 | 15 | 94 | −11.7 | 2 | 5 | 31 | −10.6 | ||
20 | 9 | 13 | 77 | −11.5 | 0 | 10 | 34 | −10.7 | ||
21 | 9 | 10 | 72 | −11.4 | 0 | 14 | 28 | −10.5 | ||
22 | 6 | 11 | 64 | −11.3 | 1 | 14 | 32 | −10.6 | ||
23 | 1 | 14 | 66 | −11.3 | n-src loop (strand) | 1 | 13 | 28 | −10.5 | |
24 | 1 | 12 | 67 | −11.4 | 1 | 12 | 60 | −11.2 | ||
25 | strand 3 | 1 | 12 | 31 | −10.6 | 2 | 9 | 78 | −11.5 | |
26 | 0 | 12 | 35 | −10.7 | 4 | 7 | 84 | −11.6 | ||
27 | 0 | 10 | 31 | −10.6 | n-src loop (turn) | 8 | 3 | 81 | −11.5 | |
28 | 0 | 8 | 34 | −10.7 | 9 | 2 | 72 | −11.4 | ||
29 | 1 | 5 | 22 | −10.3 | 6 | 7 | 76 | −11.5 | ||
30 | 2 | 2 | 34 | −10.7 | 2 | 16 | 51 | −11.1 | ||
31 | 3 | 0 | 36 | −10.7 | 1 | 20 | 57 | −11.2 | ||
32 | 3 | 1 | 37 | −10.7 | 0 | 22 | 50 | −11 | ||
33 | 3 | 3 | 34 | −10.7 | distal hairpin (strand 1) | 0 | 22 | 59 | −11.2 | |
34 | 1 | 7 | 30 | −10.6 | 1 | 20 | 54 | −11.1 | ||
35 | 0 | 10 | 38 | −10.8 | 3 | 16 | 84 | −11.6 | ||
36 | 0 | 12 | 45 | −11.0 | 7 | 7 | 70 | −11.4 | ||
37 | 0 | 12 | 55 | −11.2 | distal hairpin (turn) | 10 | 2 | 81 | −11.5 | |
38 | 0 | 11 | 73 | −11.4 | 10 | 2 | 82 | −11.5 | ||
39 | functional loop | 4 | 6 | 91 | −11.7 | 5 | 7 | 61 | −11.2 | |
40 | 5 | 4 | 76 | −11.5 | 1 | 14 | 67 | −11.3 | ||
41 | 8 | 1 | 65 | −11.3 | 0 | 15 | 41 | −10.8 | ||
42 | 6 | 4 | 46 | −11.0 | 0 | 15 | 35 | −10.7 | ||
43 | 4 | 9 | 37 | −10.8 | 0 | 14 | 41 | −10.8 | ||
44 | 2 | 16 | 25 | −10.4 | 1 | 11 | 52 | −11.1 | ||
45 | strand 4 | 0 | 21 | 31 | −10.6 | 3 | 6 | 84 | −11.6 | |
46 | 0 | 21 | 41 | −10.9 | 6 | 2 | 56 | −11.2 | ||
47 | 0 | 21 | 51 | −11.1 | 6 | 0 | 58 | −11.2 | ||
48 | 1 | 16 | 50 | −11.1 | 6 | 0 | 79 | −11.5 | ||
49 | 4 | 12 | 56 | −11.2 | ||||||
50 | 8 | 4 | 50 | −11.1 | ||||||
51 | 10 | 2 | 65 | −11.3 | ||||||
52 | 8 | 4 | 52 | −11.1 | ||||||
53 | 3 | 9 | 80 | −11.5 | ||||||
54 | 1 | 12 | 69 | −11.4 | ||||||
55 | strands 5/6 | 1 | 12 | 45 | −10.9 | |||||
56 | 1 | 12 | 57 | −11.2 | ||||||
57 | 1 | 11 | 69 | −11.4 |
Number of local contacts made within the window.
Number of nonlocal contacts made between the window and outside residues.
Median folding time as a percent of unconstrained median folding time.
kf is in units of simulation steps.