TABLE 2:
Structural statistics for N-terminal Cx43 peptides.
| WT | G2V | W4A | |
|---|---|---|---|
| rmsd from experimental distance restraints | |||
| Unambiguous NOEs (Å) | 0.0271 ± 0.0015 (570) | 0.0249 ± 0.0044 (678) | 0.0234 ± 0.0043 (544) |
| Number of violations > 0.5 Å | 0 | 0 | 0 |
| Ambiguous NOEs (Å) | 0.0259 ± 0.0024 (127) | 0.0413 ± 0.0062 (101) | 0.033 ± 0.004 (106) |
| Number of violations > 0.5 Å | 0 | 0 | 0 |
| Deviations from ideal geometry | |||
| Bonds (Å) | 0.0051 ± 0.0002 | 0.0051 ± 0.0003 | 0.0042 ± 0.0005 |
| Angles (deg) | 0.603 ± 0.011 | 0.611 ± 0.037 | 0.498 ± 0.033 |
| Impropers (deg) | 1.75 ± 0.08 | 1.35 ± 0.17 | 1.19 ± 0.12 |
| Ramachandran statistics | |||
| Most-favored regions (%) | 76.8 | 78.2 | 93.6 |
| Additional allowed regions (%) | 17.4 | 21.1 | 6.4 |
| Generously allowed regions (%) | 5.9 | 0.6 | 0.0 |
| Disallowed regions (%) | 0.0 | 0.0 | 0.0 |
| rmsd from mean structurea | |||
| Backbone atoms (Å) | 0.20 ± 0.04 | 0.31 ± 0.05 | 0.38 ± 0.18 |
| Heavy atoms (Å) | 0.52 ± 0.05 | 0.56 ± 0.04 | 0.67 ± 0.21 |
Statistics are listed for the 10 lowest-energy conformers of the wild-type (WT), G2V, and W4A substituted peptides. Number of experimental restraints is given in parentheses.
armsd is shown for the ordered portions of the structures as determined using protein structure validation software; WT (A3–A20), G2V(A3–A20), and W4A(S5-T19).