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. Author manuscript; available in PMC: 2011 Sep 1.
Published in final edited form as: Mol Cancer Res. 2010 Aug 18;8(9):1234–1247. doi: 10.1158/1541-7786.MCR-10-0233

Table 1. Ranking of BLM peptides potentially phosphorylated by Chk1 as obtained by in silico analysis.

The residue based statistical pair potential scores, and all atom binding energies for the peptides are listed. The peptides are ranked based on their residue based statistical pair potential scores. The rows for the 6 peptides that lie in 1 to 660 amino acid region of BLM protein are highlighted in pink. VDW represents the contribution due to van der Waals interaction while ELE represents the contribution due to electrostatic interaction.

Serial
number
Ser/Thr
position
Peptide
sequence
Residue
based
statistical
pair
potential
scores (BT)
Binding energy calculated using
Insight II (Kcal mol−1)
VDW ELE TOTAL
1 Ser646 graphic file with name nihms227134t1.jpg −7.72 −68.724 −36.337 −105.061
2 Ser729 graphic file with name nihms227134t2.jpg −5.26 −56.895 −26.337 −83.232
3 Thr581 graphic file with name nihms227134t3.jpg −5.03 −55.567 −34.583 −90.15
4 Ser1361 graphic file with name nihms227134t4.jpg −4.81 −43.757 −26.804 −70.561
5 Ser1375 graphic file with name nihms227134t5.jpg −3.79 −53.314 −35.054 −88.368
6 Ser434 graphic file with name nihms227134t6.jpg −3.22 −57.886 −39.371 −97.257
7 Thr1350 graphic file with name nihms227134t7.jpg −3.01 −55.531 −41.978 −97.509
8 Ser367 graphic file with name nihms227134t8.jpg −2.72 −66.311 −43.226 −109.537
9 Ser602 graphic file with name nihms227134t9.jpg −2.4 −52.816 −41.17 −93.986
10 Thr182 graphic file with name nihms227134t10.jpg −2.08 −53.744 −29.651 −83.395