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. 2009 May 21;37(13):4341–4352. doi: 10.1093/nar/gkp307

Table 3.

Spacer elongation in WT restrained simulations

Δda (Å) ΔEb (Kcal/mol) Icc (°) Twavd(°) Protein–protein steric clashes
0 0 5 37 ++
2.5 4 22 34 +
4.5 15 42 30 ∼0
7.5 37 67 23
8.5 44 82 20
a

Δd: increase of the distance separating two EBS core motifs in reference to the starting structure.

b

ΔE: difference between total energies of constained and starting structures.

c

Ic: curvative intensity.

d

Twav: average twist of the 4 bp spacer.