Table 1 Quantitative characterization of the 20 CYANA conformers used to represent the solution structure of rSP-C33Leu after energy minimization with the program OPAL.
From: Efficient protein production inspired by how spiders make silk
Quantity | Value |
|---|---|
NMR constraints | |
Distance constraints | |
Total NOE | 266 |
Intra-residue | 162 |
Inter-residue | 104 |
Sequential (|i−j|=1) | 55 |
Medium-range (|i−j|≤4) | 49 |
Long-range (|i−j≥5) | — |
Intermolecular | — |
Hydrogen bonds | 18 |
Total dihedral angle restraints | |
phi | 28 |
psi | 28 |
Structure statistics | |
Violations* | |
Distance constraints (Å) >0.1 Å | 0.05±0.22 (0,…1) |
Dihedral angle constraints (°) >2.5° | 0 |
Max. dihedral angle violation (°) | 0.70±0.24 (0.53,…,1.69) |
Max. distance constraint violation (Å) | 0.09±0 (0.09,…,0.10) |
Deviations from idealized geometry | |
M/c bond lengths (Å) >0.05 Å (%) | 0 |
M/c bond angles (°) >10° (%) | 4.4 |
Impropers (°) | — |
RMSDs*† (Å) | |
Backbone of residues 5–30 | 0.44±0.19 (0.20,…,0.95) |
All heavy atoms of residues 5–30 | 0.91±0.14 (0.72,…,1.23) |
