CYANA Macro: karplus: Difference between revisions
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== Description == | == Description == | ||
Defines the standard Karplus curves used by CYANA. The following Karplus caruves are defined for proteins:<br> | |||
<math>^3J</math>(H<sup>N</sup>, H<sup>α</sup>) = 1.72 - 1.38cosθ + 6.98cos<sup>2</sup>θ<br> | |||
<math>^3J</math>(H<sup>N</sup>, C') = 0.84cosθ + 4.32cos<sup>2</sup>θ<br> | |||
<math>^3J</math>(H<sup>N</sup>, C<sup>β</sup>) = 0.07 - 0.94cosθ + 3.39cos<sup>2</sup>θ<br> | |||
<math>^3J</math>(C'<sub>''i''-1</sub>, C'<sub>''i''</sub>) = -0.30 - 0.80cosθ + 2.00cos<sup>2</sup>θ<br> | |||
<math>^3J</math>(H<sup>α</sup>, N<sub>''i''+1</sub>) = -0.27 + 0.61cosθ - 0.88cos<sup>2</sup>θ<br> | |||
<math>^3J</math>(H<sup>α</sup>, H<sup>β</sup>) = 1.80 - 1.60cosθ + 9.50cos<sup>2</sup>θ<br> | |||
<math>^3J</math>(H<sup>α</sup>, C<sup>γ</sup>) = 1.80 - 1.60cosθ + 9.50cos<sup>2</sup>θ<br> | |||
Similar Karplus curves are defined also for nucleic acids. | |||
Revision as of 10:32, 7 August 2009
Parameters
- (none)
Description
Defines the standard Karplus curves used by CYANA. The following Karplus caruves are defined for proteins:
(HN, Hα) = 1.72 - 1.38cosθ + 6.98cos2θ
(HN, C') = 0.84cosθ + 4.32cos2θ
(HN, Cβ) = 0.07 - 0.94cosθ + 3.39cos2θ
(C'i-1, C'i) = -0.30 - 0.80cosθ + 2.00cos2θ
(Hα, Ni+1) = -0.27 + 0.61cosθ - 0.88cos2θ
(Hα, Hβ) = 1.80 - 1.60cosθ + 9.50cos2θ
(Hα, Cγ) = 1.80 - 1.60cosθ + 9.50cos2θ
Similar Karplus curves are defined also for nucleic acids.