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Table 1 Structural alignment qualities between models constructed by CirPred and the actual structures of engineered CPMs

From: CirPred, the first structure modeling and linker design system for circularly permuted proteins

Target: engineered CPM (size: residues)

Template: native protein (size: residues)

CP site on the templatea

Identityb (%)

Alignment ratioc (%)

RMSDc (Ã…)

1ajkA (212)

2ayhA (214)

84

90.2

97.6

1.441

1ajoA (212)

2ayhA (214)

129

97.2

100.0

1.026

1cpmA (214)

2ayhA (214)

59

98.6

100.0

1.001

1cpnA (208)

2ayhA (214)

59

92.5

100.0

1.050

1alqA (259)

3blmA (257)

223

98.8

100.0

0.548

1fw8A (416)

3pgkA (416)

72

72.8

98.1

3.155

1n02A (102)

2ezmA (101)

50

90.1

100.0

1.316

1un2A (186)

1a2jA (188)

100

96.3

100.0

1.156

1bd7A (176)

1blbC (187)

98

85.6

94.9

6.501

1g2bA (62)

1shgA (57)

47

86.0

100.0

1.056

1tucA (61)

1shgA (57)

20

86.0

96.7

1.609

1tudA (60)

1shgA (57)

48

89.5

100.0

0.833

1swfA (116)

1stpA (121)

51

87.9

100.0

1.256

1swgA (112)

1stpA (121)

51

86.6

100.0

0.657

1p5cA (166)

1lw9A (164)

12

98.1

100.0

1.310

  1. aNumbered according to the order of residues in the PDB file
  2. bSequence identity between the template protein and the target CPM (computed by the circularly-permuted structure alignment algorithm CPSARST [25])
  3. cThese were the structural alignment ratio and RMSD values between the model and the actual structure of target CPMs. The alignment ratio was defined as the number of aligned residues divided by the target’s size