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. Author manuscript; available in PMC: 2021 May 5.
Published in final edited form as: Structure. 2020 Mar 10;28(5):495–506.e3. doi: 10.1016/j.str.2020.02.007

Table 2.

Structural statistics for the structure of hRpn2-bound hRpn13 at distal ubiquitin of K48-diubiquitin

complex
NMR distance and dihedral constraints
Distance restraints
Total NOE 5,459
Intra-residue 1,591
Inter-residue 3,868
 Sequential (|i-j| = 1) 1,022
 Non-sequential (|i-j| > 1) 2,542
 Intermolecular NOEs 304
  hRpn13:hRpn2 224
  hRpn13: Distal Ub 56
  Proximal Ub:Distal Ub 24
Hydrogen bonds 99
 Intramolecular 97
 Intermolecular 2
Total dihedral angle restraints 604
Phi 302
Psi 302
Structure statistics
Violations (mean and SD)
 Distance constraints (Å) 0.051 ± 0.001
 Dihedral angle constraints (°) 0.371 ± 0.052
 Max. dihedral angle violation (> 5 °) 0
 Max. distance constraint violation (> 0.5 Å) 0
Deviations from idealized geometry
 Bond lengths (Å) 0.003 ± 0.000
 Bond angles (°) 0.494 ± 0.013
 Impropers (°) 0.348 ± 0.007
Average pairwise root-mean-square deviation** (Å)
 Heavy atoms 1.07 ± 0.16
 Backbone 0.59 ± 0.14
**

Statistics for 15 lowest energy structures without violations for hRpn13 Pru (K21-N130), bound distal ubiquitin (M1-L71), and hRpn2 (942–951).