CYANA Macro: karplus: Difference between revisions
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Defines the standard Karplus curves used by CYANA. The following Karplus caruves are defined for proteins:<br> | Defines the standard Karplus curves used by CYANA. The following Karplus caruves are defined for proteins:<br> | ||
< | <sup>3</sup>''J''(H<sup>N</sup>, H<sup>''α''</sup>) = 1.72 - 1.38cos''θ'' + 6.98cos<sup>2</sup>''θ''<br> | ||
< | <sup>3</sup>''J''(H<sup>N</sup>, C') = 0.84cos''θ'' + 4.32cos<sup>2</sup>''θ''<br> | ||
< | <sup>3</sup>''J''(H<sup>N</sup>, C<sup>''β''</sup>) = 0.07 - 0.94cos''θ'' + 3.39cos<sup>2</sup>''θ''<br> | ||
< | <sup>3</sup>''J''(C'<sub>''i''-1</sub>, C'<sub>''i''</sub>) = -0.30 - 0.80cos''θ'' + 2.00cos<sup>2</sup>''θ''<br> | ||
< | <sup>3</sup>''J''(H<sup>''α''</sup>, N<sub>''i''+1</sub>) = -0.27 + 0.61cos''θ'' - 0.88cos<sup>2</sup>''θ''<br> | ||
< | <sup>3</sup>''J''(H<sup>''α''</sup>, H<sup>''β''</sup>) = 1.80 - 1.60cos''θ'' + 9.50cos<sup>2</sup>''θ''<br> | ||
< | <sup>3</sup>''J''(H<sup>''α''</sup>, C<sup>''γ''</sup>) = 1.80 - 1.60cos''θ'' + 9.50cos<sup>2</sup>''θ''<br> | ||
Similar Karplus curves are defined also for nucleic acids. | Similar Karplus curves are defined also for nucleic acids. | ||
Latest revision as of 09:11, 12 August 2009
Parameters
- (none)
Description
Defines the standard Karplus curves used by CYANA. The following Karplus caruves are defined for proteins:
3J(HN, Hα) = 1.72 - 1.38cosθ + 6.98cos2θ
3J(HN, C') = 0.84cosθ + 4.32cos2θ
3J(HN, Cβ) = 0.07 - 0.94cosθ + 3.39cos2θ
3J(C'i-1, C'i) = -0.30 - 0.80cosθ + 2.00cos2θ
3J(Hα, Ni+1) = -0.27 + 0.61cosθ - 0.88cos2θ
3J(Hα, Hβ) = 1.80 - 1.60cosθ + 9.50cos2θ
3J(Hα, Cγ) = 1.80 - 1.60cosθ + 9.50cos2θ
Similar Karplus curves are defined also for nucleic acids.