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Ball and Stick representation. Tyr 42. Glu 46. Arg 52. Chr. Phe 96. Try 98. Pro 68. ground state. early intermediate. late intermediate. WT. Y42F. white light. UV light. Ribbon drawings and Topology Diagrams. Surface representations. Solvent excluded surface “Molecular surface”.
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Ball and Stick representation Tyr 42 Glu 46 Arg 52 Chr Phe 96 Try 98 Pro 68 ground state early intermediate late intermediate
WT Y42F white light UV light
Surface representations Solvent excluded surface “Molecular surface” Probe Sphere Solvent accessible surface
The difference between the solvent accessible surface and the Van der Waals surface can be substantial
Visualizing surface curvature Idealized B-DNA and the crystal structure of a short docecamer
Electrostatic Potential Surfaces Acetyl choline Net positive charge Acetyl choline esterase
Analyzing packing efficiency PROBE written by Richardson Lab
Tyr 42 Glu 46 Arg 52 Chr Phe 96 Try 98 Pro 68 ground state early intermediate late intermediate
2.1 Å 2.8 Å Tyr 98
[ ] U11 U12 U13 U21U22 U23 U31 U32U33 3 Eigenvectors 3 Eigenvalues From Eigenvalues: shape of the ellipse i.e. s of a normal distribution From Eigenvectors: orientation of ellipse in space 50% is at ~ 1.2 s