wwPDB validation report of PDB entry 1IJC

The structures were determined using standard 2D homonuclear techniques.

The structures are based on a total of 1363 restraints, 1258 are NOE-derived distance constraints, 61 dihedral angle restraints, 44 distance restraints from hydrogen bonds.
distance geometry, simulated annealing, molecular dynamics, torsion angle dynamics

Bartels, C., Xia T., Billeter, M., Guntert, P., Wuthrich, K.

Szyperski, I., Guntert, P., Otting, G., Wuthrich, K.

Mumenthaler, C., Guntert, P., Braun, W., Wuthrich, K.

Guntert, P., Mumenthaler, C., Wuthrich, K.

Solution Structure of Bucandin, a Neurotoxin from the Venom of the Malayan Krait

geometric validation package for ligand chemistry in protein x-ray structures

assessment of nmr assigned chemical shifts

geometric validation of nmr ensemble structure

20191225.v01 (using entries in the PDB archive December 25th 2019)

domain identification of nmr ensemble structure

classification of nmr ensemble structure

nmr chemical shift validation and reference correction

random coil index prediction from nmr chemical shifts