Dataset used in Multi-LZerD: Multiple protein docking for asymmetric complexes
by Juan Esquivel-Rodríguez, Yifeng David Yang and Daisuke Kihara. Purdue University

-Bound dataset (bound/ directory)
Contains single-chain files for each of the 11 bound cases reported in the paper organized
in separate directories for each case

-Unbound dataset (unbound/ directory)
6 of bound PDB's were modeled to emulate the unbound docking scenario, generating 10 additional cases.
A combination of BLAST, to identify modeling templates, and SWISS-Model Server, to create the models was used.

The naming convention adopted for these cases shows what chains are modeled (and conversely which ones are kept
in their bound form). For example, the case labeled 1A0Rbg denotes that chains B and G are modeled PDB's while
chain P is kept in its bound form.

The following table summarizes, for each of the bound PDB chains, what structure in the PDB was used as template
for modeling, as well as the global c-alpha RMSD difference between the model and the initial bound structure

Bound_PDB_Chain	Template_PDB_Chain	RMSD_Bound_Model(angstroms)
1A0R-B		2QNS-A			1.25
1A0R-G		2QNS-B			1.67
1VCB-A		1LQB-A			1.17
1VCB-B		1LQB-B			1.20
1VCB-C		1LQB-C			1.32
1QGW-A		1XF6-A			0.11
1QGW-B		1XF6-B			0.07
1QGW-C		1XF6-C			0.25
1QGW-D		1XF6-D			1.88
1NNU-A,B	3F4B-A			0.52
1NNU-C,D	3F4B-A			0.49
1LOG-A		1LOA-A			0.79
1LOG-B		1LOA-B			0.72
1LOG-C		1LOA-C			0.82
1LOG-D		1LOA-D			0.78
1RHM-A,C	3PD1-A			1.07
1RHM-B,D	3PD1-A			0.78
