Table 4.

Comparison with the Side-Chain Structure Prediction Program Scwrl4 on GB1 Using Different Input Backbone Structures

	All residues				Core residues
	Accuracy of all χ angles (%)		Accuracy of (χ1,χ2) angles (%)		Accuracy of all χ angles (%)		Accuracy of (χ1,χ2) angles (%)
Backbonesa	Our approach	SCWRL4	Our approach	SCWRL4	Our approach	SCWRL4	Our approach	SCWRL4
3GB1	77.8	72.2	85.2	79.4	100.0	85.7	100.0	85.7
2GB1	72.1	68.5	81.3	74.5	92.9	78.6	92.9	78.6
1GB1	74.1	70.4	83.3	77.8	92.9	78.6	92.9	78.6
1P7E	74.1	70.4	83.3	75.9	92.9	78.6	92.9	78.6
1PGA	70.4	64.8	79.6	70.4	92.9	71.4	92.9	71.4
1PGB	75.9	74.1	83.3	77.8	100.0	85.7	100.0	85.7

The backbone RMSD from 2GB1, 1GB1, 1P7E, 1PGA, and 1PGB to 3GB1 is 1.01 Å, 1.00 Å, 0.44 Å, 0.54 Å, and 0.56 Å, respectively. The program Reduce (Word et al., 1999) was used to add hydrogens to the X-ray backbone structures 1PGA and 1PGB. In our approach, the GMEC was computed for this comparison.

^aPDB ID.