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. Author manuscript; available in PMC: 2022 Nov 14.
Published in final edited form as: Robotica. 2016 May 19;34(8):1777–1790. doi: 10.1017/s0263574716000242

Table I.

The performance of constrained CCD in building α-helices, β-strands, and loops.

Index IDa Typeb Sequencec Lengthd e f 12Åg
RMSD Time (ms) RMSD Time (ms) RMSD Time (ms)
1 2Y4Z H 89–96 8 0.87 15 0.93 14 0.63 1
2 1OZ9 H 50–61 12 0.93 4 0.69 4 0.86 2
3 4V68 H 37–58 22 1.95 31 1.67 24 1.56 24
4 2Y4Z H 108–134 27 0.53 10 0.53 11 0.47 19
5 1OXJ H 639–669 31 1.62 55 1.47 30 1.21 27
6 2Y4Z S 10–13 4 0.71 11 0.61 1 0.61 <1
7 1OZ9 S 69–74 6 0.81 26 0.94 14 0.87 13
8 4V68 S 111–115 5 1.35 14 1.47 3 1.50 3
9 1ICX S 52–58 7 0.84 27 0.79 14 0.77 13
10 3CAU S 318–325 8 1.65 25 1.42 14 1.34 12
11 1ICX S 94–105 12 2.04 66 1.92 42 1.96 30
12 2Y4Z L 4–9 6 1.86 25 1.86 22 1.86 22
13 1A7D L 87–92 6 2.01 43 1.87 37 1.72 38
14 2RU9 L 13–21 9 2.47 30 2.29 6 2.01 2
15 4V68 L 101–110 10 2.08 150 2.08 108 1.95 135
16 2Y4Z L 97–107 11 3.23 70 2.03 34 2.19 18
17 4OXW L 57–73 17 5.42 440 3.9 362 3.7 108
a

The PDB ID of the protein.

b

The type of the secondary structure; H for helix, S for β-strand, and L for Loop/turn.

c

The amino acid index for the start and the end of the sequence segment.

d

The length of the secondary structure.

e

The backbone RMSD (Å) from the native, the time (millisecond) to build, the length of trace segment: 6Å.

f

The backbone RMSD (Å) from the native, time (millisecond) to build, the length of trace segment: 9Å.

g

The backbone RMSD (Å) from the native, the time (millisecond) to build, the length of trace segment:12Å.