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Wenjun Zheng, Bernard R. Brooks  Biophysical Journal 

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1 Normal-Modes-Based Prediction of Protein Conformational Changes Guided by Distance Constraints 
Wenjun Zheng, Bernard R. Brooks  Biophysical Journal  Volume 88, Issue 5, Pages (May 2005) DOI: /biophysj Copyright © 2005 The Biophysical Society Terms and Conditions

2 Figure 1 Summary of results for transition (1cll→1ctr). Panel a shows the overlap between the computed and the measured conformational changes versus the number of pairwise distance constraints. Panel b (panel c) shows the overlap between the computed conformational change and mode No. 3 (No. 4) versus the number of pairwise distance constraints. Line with pluses, result for the ideal test; horizontal line, the maximal overlap between any single mode and the measured conformational change; x-marks with error bars, result for the nonideal test 1, where the error bar shows 1 SD. Biophysical Journal  , DOI: ( /biophysj ) Copyright © 2005 The Biophysical Society Terms and Conditions

3 Figure 2 Summary of results for transition (1ddt→1mdt). Panel a shows the overlap between the computed and the measured conformational changes versus the number of pairwise distance constraints. Panel b shows the overlap between the computed conformational change and mode No. 2 versus the number of pairwise distance constraints. Line with pluses, result for the ideal test; horizontal line, the maximal overlap between any single mode and the measured conformational change; x-marks with error bars, result for the nonideal test 1, where the error bar shows 1 SD. Biophysical Journal  , DOI: ( /biophysj ) Copyright © 2005 The Biophysical Society Terms and Conditions

4 Figure 3 Summary of results for transition (1ypt→1yts). Panel a shows the overlap between the computed and the measured conformational changes versus the number of pairwise distance constraints. Panel b shows the overlap between the computed conformational change and mode No. 6 versus the number of pairwise distance constraints. Line with pluses, result for the ideal test; horizontal line, the maximal overlap between any single mode and the measured conformational change; x-marks with error bars, result for the nonideal test 1, where the error bar shows 1 SD. Biophysical Journal  , DOI: ( /biophysj ) Copyright © 2005 The Biophysical Society Terms and Conditions

5 Figure 4 Summary of results for transition (2lao→1lst). Panel a shows the overlap between the computed and the measured conformational changes versus the number of pairwise distance constraints. Panel b shows the overlap between the computed conformational change and mode No. 1 versus the number of pairwise distance constraints. Line with pluses, result for the ideal test; horizontal line, the maximal overlap between any single mode and the measured conformational change; x-marks with error bars, result for the nonideal test 1, where the error bar shows 1 SD. Biophysical Journal  , DOI: ( /biophysj ) Copyright © 2005 The Biophysical Society Terms and Conditions


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