1H Chemical Shift Assignments and Interproton 3JHNHA Coupling Constants
of Alpha2-D, a Nativelike de Novo Designed Four Helix Bundle

Helix-loop-helix that dimerizes to form
a 4-helix bundle. Symmetric homodimer.

de novo designed protein with nativelike behavior

A Chain A, Solution Structure Of Alpha2d

Information obtained from PDB's Chemical Component Dictionary
at http://wwpdb-remediation.rutgers.edu/downloads.html
Downloaded on Thu Jul 14 16:15:33 2011

Information obtained from PDB's Chemical Component Dictionary
at http://wwpdb-remediation.rutgers.edu/downloads.html
Downloaded on Thu Jul 14 16:09:34 2011

Hill, R. Blake and Degrado, William, F., "Solution Structure of Alpha2D, a
Nativelike de Novo Designed Protein," J. Am. Chem. Soc. 120, 1138-1145 (1998).

Solution Structure of Alpha2D, a Nativelike de Novo Designed Protein

3JHNHA coupling constants were measured at two transforms, one phased in pure absorption
and the other in pure dispersion, of the DQF-COSY spectrum. From these values the real
coupling constants were calculated according to Kim, Y. and Prestegard, J.H. (1989)
J. Magn. Reson. 84, 9-13

The monomer molecular weight is 4289. Molecule has
been shown to be dimeric by equilibrium sedimentation
analysis at 50 uM - 2 mM.

A helix-loop-helix with each helix comprising 2 heptads of
the helical repeat. High sequence redundancy between
helix 1 and helix 2. N-terminal is acetylated and C-terminal is amidated.

Synthesized using standard FMOC chemistry, C-terminal is amidated and the N-terminus is acetylated

The HMQC expt. was collected observing the natural abundant 13C signal in an unlabeled sample.

SIMULATED ANNEALING FOR 48 PS AT 2000K FOLLOWED BY A SLOW COOL TO 50K