Automated determination of interhelical angles for protein alpha helices from coordinate data Robert Fraser, James Stewart, Janice Glasgow Queen's University.
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Automated determination of interhelical angles for proteinalpha helices from coordinate
data
Robert Fraser, James Stewart, Janice Glasgow
Queen's University School of Computing, Kingston, ON
The HUGE picture
• Sequence Structure
• Structure Function
• I’m working on a tiny bit of the first step
Protein Structure
• Different levels of structure• We’re interested in alpha helices
Used with permission from Petsko, G.A. and D. Ringe, Protein Structure and Function, 2004
Contact Maps
• Distance map represents full 3D structure• Contact map is a binary version• 10Ǻ threshold used here
Angle method
• if (da × db) · (b0 – a0) > 0
• then the top vector is rotated clockwise• else the top vector is rotated counter-clockwise• Clockwise negative sign
Acknowledgements
• Kelly Fraser• Janice Glasgow • James Stewart• Henk Meijer • Mehdi Hedjazi• Alan Ableson• Eduardo Zuviria • Tony Kuo
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