Table 1.
FUN-EGF3 (R45–E178) | FUN-EGF1 (A53–C111) | EGF2-EGF3 (C119–E178) | |
---|---|---|---|
NOE-derived distance restraints | |||
Total | 2,599 | 1,559 | 1,040 |
Intraresidue | 890 | 516 | 374 |
Interresidue | 1,434 | 893 | 541 |
Sequential (| i-j | = 1) | 571 | 340 | 231 |
Short-range (| i-j | < 5) | 231 | 147 | 84 |
Long-range (| i-j | ≥ 5) | 632 | 406 | 226 |
Ambiguous | 275 | 150 | 125 |
Hydrogen bond restraints | 30 | 18 | 12 |
Dihedral angle restraints | |||
Total | 137 | 69 | 68 |
φ | 73 | 39 | 34 |
ψ | 64 | 30 | 34 |
RDCs | |||
1DNH | 54 | 28 | 26 |
Total number of restraints | 2,820 | 1,674 | 1,146 |
Restraint violations | |||
Distance restraint violations > 0.5 Å | 0 | 0 | 0 |
Dihedral angle violations > 5° | 0 | 0 | 0 |
Rmsd from experimental restraints | |||
Distance restraints (Å) | 0.024 ± 0.001 | 0.025 ± 0.001 | 0.024 ± 0.003 |
Dihedral angle restraints (°) | 0.338 ± 0.109 | 0.194 ± 0.141 | 0.408 ± 0.171 |
RDC restraints (Hz) | 0.822 ± 0.074 | 0.755 ± 0.078 | 0.884 ± 0.110 |
Rmsd from idealized geometry | |||
Bonds (Å) | 0.004 ± 0.000 | 0.004 ± 0.000 | 0.003 ± 0.000 |
Angles (°) | 0.513 ± 0.016 | 0.552 ± 0.016 | 0.501 ± 0.019 |
Impropers (°) | 0.365 ± 0.007 | 0.417 ± 0.016 | 0.337 ± 0.015 |
Ramachandran plot | |||
Residues in most favored regions (%) | 80.5 | 81.8 | 81.9 |
Residues in additional allowed regions (%) | 16.0 | 18.1 | 13.4 |
Residues in generously allowed regions (%) | 1.6 | 0.1 | 1.7 |
Residues in disallowed regions (%) | 1.9 | 0.0 | 3.0 |
Coordinate precision (rmsd; Å) | |||
Backbone | N/A | 0.586 ± 0.196 | 1.166 ± 0.288 |
Heavy atom | N/A | 0.916 ± 0.246 | 1.820 ± 0.305 |
Statistics are given for full-length FUN-EGF3 and separately for the two domain pairs. Quality statistics were calculated using Xplor-NIH. Restraint violations and rmsd values are given as mean values per structure ± the SD. Ramachandran statistics were calculated using Procheck (Laskowski et al., 1996). N/A, not applicable.