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. Author manuscript; available in PMC: 2013 Jun 14.
Published in final edited form as: J Phys Chem B. 2012 Feb 13;116(23):6654–6664. doi: 10.1021/jp211052j

Table 1.

Properties of global structural alignments for PDB200, QS, PDB250, Taylor, Trovato, and Zhou sets

Target Template Library Fraction of targets with TM-score ≥0.4 Average Coveragea,c Average TM-score Average Number of Gaps per Targetb,c Average Gap Length per Targetc Average Number of Gaps per Templateb,c Average Gap Length per Templateb,c
PDB200 PDBe 1.00 0.86 0.65 1.19 4.87 3.98 16.7
PDB200sm PDBsmf 1.00 0.89 0.70 1.01 4.81 2.86 17.0
PDB200 PDB300 1.00 0.84 0.64 1.27 5.19 3.05 11.2
PDB200sm PDB300smf 1.00 0.87 0.69 1.08 5.13 2.83 16.3
QS200 PDB 0.99 0.78 0.44 2.97 6.63 10.6 22.6
QS200sm PDBsm 0.99 0.82 0.51 2.24 7.62 6.40 28.0
QS200 PDB300 0.85 0.76 0.43 2.96 6.84 8.20 14.3
QS200sm PDB300sm 1.00 0.80 0.49 2.46 8.15 5.43 17.9
PDB250 QS300 0.71 0.78 0.42 2.31 6.36 10.11 13.8
PDB250sm QS300sm 0.94 0.79 0.48 2.37 8.37 6.99 17.6
PDB250 TASSER model 0.98 1.00 0.71 - - - -
Taylor Set PDBd 1.00 0.83 0.53 1.78 7.37 8.55 23.8
Taylor Set PDBsmf 1.00 0.85 0.59 1.53 7.64 5.85 27.6
Taylor Set PDB300 1.00 0.79 0.52 2.02 8.07 6.61 15.3
Taylor Set PDB300smf 1.00 0.83 0.57 1.67 8.65 4.94 18.7
Trovato Set PDBd 1.00 0.87 0.52 0.61 3.42 5.02 26.2
Trovato Set PDBsmf 1.00 0.90 0.59 0.44 2.84 2.69 29.4
Trovato set PDB300 1.00 0.85 0.51 0.66 3.78 4.66 18.6
Trovato set PDB300smf 1.00 0.89 0.58 0.46 3.04 2.64 21.6
Zhou Set PDB 1.00 0.81 0.54 1.44 7.37 6.18 23.9
Zhou Set PDBsmf 1.00 0.86 0.59 1.22 6.71 4.55 26.4
Zhou Set PDB300 0.98 0.78 0.52 1.70 8.38 5.13 16.9
Zhou Set PDB300smf 1.00 0.83 0.57 1.30 7.46 3.85 19.1
a

Fraction of residues in the target sequence that are part of the best structural alignment.

b

Only gaps >3 residues are considered.

c

Only templates with a TM-score ≥ 0.4 are considered.

d

Structural alignments to the entire PDB library without chain length restrictions.

e

All template structures with a sequence identity >15% to the target are excluded.

f

Structural alignments are of the target and template are performed using the smoothed chain contour generated by eq.2a and 2b.

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