CYANA Macro: karplus: Difference between revisions

From CYANA Wiki
Jump to navigation Jump to search
Line 7: Line 7:


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>
<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>, H<sup>''α''</sup>) = 1.72 - 1.38cos''θ'' + 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') = 0.84cos''θ'' + 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>(H<sup>N</sup>, C<sup>''β''</sup>) = 0.07 - 0.94cos''θ'' + 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>(C'<sub>''i''-1</sub>, C'<sub>''i''</sub>) = -0.30 - 0.80cos''θ'' + 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>, N<sub>''i''+1</sub>) = -0.27 + 0.61cos''θ'' - 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>, H<sup>''β''</sup>) = 1.80 - 1.60cos''θ'' + 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>
<math>^3J</math>(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.

Revision as of 10:35, 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.

Retrieved from "https://cyana.org/w/index.php?title=CYANA_Macro:_karplus&oldid=6739"