TABLE 2.

Structural statistics of the 10 lowest energy structures of the Cx43CT^276–289(Ser(P)²⁷⁹, Ser(P)²⁸²)·rat Nedd4 WW2 domain complex

NOE distance restraints
Total	1030
Intraresidue (|i − j| = 0)	526
Sequential (|i − j| = 1)	178
Medium range (2 ≤ |i − j| < 4)	89
Long range (|i − j| ≥ 5)	236
Backbone hydrogen bonds	12
Residual violations (average number per residue)
Distance restraints >0.3 Å	0.1
Distance restraints >0.5 Å	0
Energiesa (kcal·mol−1)
NOE	11 ± 6
van der Waals	−360 ± 110
Electrostatic	−1948 ± 166
Ramachandran plotb (%)
Most favored regions	68.0
Additional allowed regions	28.3
Generously allowed regions	2.5
Disallowed regions	1.2
Average r.m.s.d.c
Nedd4 WW2 domain (Gly403–Lys432)
Backbone (Å)	0.87 ± 0.21
All non-hydrogens (Å)	2.01 ± 0.34
Cx43CT (Ala276–Val289)
Backbone (Å)	1.94 ± 0.61
All non-hydrogens (Å)	2.59 ± 0.67

^a Calculated with the standard parameters of ARIA.

^b Ramachandran analysis was performed using PROCHECK.

^c Fit on secondary structures.