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. 2013 Apr 2;288(21):15240–15254. doi: 10.1074/jbc.M112.439075

TABLE 1.

Statistics of the final 20 best structures of Csk-SH2 and Cbp (289–321)

NOE upper distance limits
    Total 2935
    Intraresidue (|ij| = 0) 604
    Sequential (|ij| = 1) 779
    Medium range (1 〈|ij | >5) 552
    Long range (|ij| > = 5) 1000
    Intermolecular 202
    Hydrogen bonds 33
    Disulfide bond 1
    Dihedral angle restraints 230

Distance restraint violations
    Number >0.2 Å 0
    Mean r.m.s. violations from distance restraints 0.0043 ± 0.0005 Å

Dihedral angle restraint violations
    Number >5° 0
    Mean r.m.s. violations from dihedral angle restraints 0.3307 ± 0.0655°

Ramachandran statistics
    Residues in preferred regions 93.4%
    Residues in allowed regions 4.8%
    Residues in disallowed regions 1.8%

r.m.s deviation to the mean coordinatesa
    Backbone atoms 0.26 ± 0.04 Å
    Heavy atoms 0.68 ± 0.05 Å

a Pairwise r.m.s.d. was calculated for residues 80–172 and 296–318 among 20 refined structures.