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. 2011 Mar 16;20(6):959–969. doi: 10.1002/pro.619

Table I.

Comparison of Folding Time Changes, Contacts, and ln(kf) for Different Regions of CI2 and src SH3 Domain

CI2 Src SH3


Window Structure Locala Nonlocalb c ln (kf)d Structure Local Nonlocal 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
a

Number of local contacts made within the window.

b

Number of nonlocal contacts made between the window and outside residues.

c

Median folding time as a percent of unconstrained median folding time.

d

kf is in units of simulation steps.