automated determination of interhelical angles for protein alpha helices from coordinate data robert...
TRANSCRIPT
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