Table 1 Structural statistics of NMR structures of jasmintide jS3
From: Molecular diversity and function of jasmintides from Jasminum sambac
Number of NOE constraints | Â |
|---|---|
All | 503 |
Intra residues |i-j| = 0 | 139 |
Sequential, |i-j| = 1 | 141 |
Medium-range, 1 < |i-j| < 5 | 48 |
Long-range, |i-j| > =5 | 175 |
Number of hydrogen bond constraints | 14 |
Number of dihedral angle constraints | 23 |
Number of constraint violations (> 0.5 Å) | 0 |
Number of angle violations (> 5°) | 0 |
Energies (kcal/mol) | |
ENOE | 0.74 ± 0.33 |
Ecdih | 0.02 ± 0.01 |
Ebond + Eangle + Eimproper | 18.53 ± 0.78 |
EVDW | 7.27 ± 1.20 |
RMS Deviation of the structural segment(Cys3-Ser28) for final 20 structures to REM structure | |
Backbone(N,Cα,C′) | 0.29 ± 0.06 Å |
Heavy atoms | 1.00 ± 0.11 Å |