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Table 1 Restraints and statistics for the ensemble of 15 structures

From: A lack of peptide binding and decreased thermostability suggests that the CASKIN2 scaffolding protein SH3 domain may be vestigial

NOE restraints
  Total 413
Intraresidue (|i – j| = 0) 204
Sequential (|i – j| = 1) 102
Medium range (1 < |i – j| < 5) 8
Long range (|i – j| ≥ 5) 99
Additional restraints
  Hydrogen bond distance restraints 32
Backbone angle torsion angle restraints 74
RMS deviationsa
  Bonds 0.0123 ± 0.0003
Angles 1.2827 ± 0.0363
Improper angles 1.6905 ± 0.1112
Dihedral angles 0.2015 ± 0.1411
RMS violations
  NOE restraints > 0.5 Å 0.0 ± 0.0
NOE restraints > 0.3 Å 2.3 ± 1.2
NOE restraints > 0.1 Å 25.5 ± 4.1
Dihedral angles > 5° 6.2 ± 0.6
Ramachandran analysis for ordered residuesb
  Most favored regions 95.2 %
Additional allowed regions 4.8 %
Generously allowed regions 0.0 %
Disallowed regions 0.0 %
  1. aAs reported by XPLOR-NIH 2.30 using the standard protein force field
  2. bAs reported by PROCHECK for residues 284–292, 298–312, 320–324, 334–343