. Author manuscript; available in PMC: 2009 Sep 14.

Published in final edited form as: J Comput Chem. 2006 Jan 15;27(1):72–89. doi: 10.1002/jcc.20307

Table 3.

Details of Each 13-Residue Loop, and Their Energy Errors with PLOP/VSGB and New PLOP/GSGB Models.

PDB ID	No. of residues	Beginning residue of loop	Ending residue of loop	PLOP/VSGB energy error (kcal/mol)	PLOP/GSGB energy “error” (kcal/mol)
1cnv	283	_:110	_:122	−1.35	24.04
1dpg	970	A:352	A:364	−18.84	14.45
1mo9	1044	A:107	A:119	−17.18	−1.91
1ock	824	A:43	A:55	−30.95	−21.20
1ojq	212	A:167	A:179	−9.91	4.56
1yge	839	_:452	_:464	−41.24	−34.00
2hlc	460	A:91	A:103	−13.96	−10.86

The crystal packing environment is considered in the calculations.