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Table 4 Information on the six pairs of trypsin complexes with the highest similarities

From: A knowledge-guided strategy for improving the accuracy of scoring functions in binding affinity prediction

The query complex

The reference complex

 

PDB

Code

-log K d (exp)

X-Score+

KGS

X-Score

PDB

Code

-log K d (exp)

Similarity

1G3C

5.80

5.54

5.60

1G3E

5.38

0.67

1G3E

5.38

5.64

5.52

1G3C

5.80

0.67

1O2J

6.92

6.92

6.08

1O2K

6.92

0.58

1O2K

6.92

6.92

6.08

1O2J

6.92

0.58

1O2O

6.36

7.30

6.27

1O2K

6.92

0.58

1O38

6.82

6.48

6.33

1O2O

6.36

0.58

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BMC Bioinformatics

ISSN: 1471-2105

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