Difference between revisions of "Mutation Minimization Plots (PKU)"

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(Created page with "Additional, quite uninteresting plots of the minimization of our mutations: <figtable id="fig:ARG158GLN_energies"> <caption>…")
 
 
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<figtable id="fig:ARG158GLN_energies">
  
<figtable id="fig:ARG158GLN_energies">
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<caption>Course of the energies during minimazation of ARG158GLN with gromacs.</caption>
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<caption>Course of the energies during minimization of ARG158GLN with gromacs.</caption>
 
{| style="border-style: solid; border-width: 1px"
 
{| style="border-style: solid; border-width: 1px"
 
|[[File:mut158 nh amber03 angle.png|200px|thumb|left|Energie of the angles in ARG158GLN in the AMBER03 forcefield.]]
  
|[[File:mut158 nh amber03 angle.png|200px|thumb|left|Energie of the angles in ARG158GLN in the AMBER03 forcefield.]]
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<figtable id="fig:GLN172HIS_energies">
  
<figtable id="fig:GLN172HIS_energies">
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<caption>Course of the energies during minimazation of GLN172HIS with gromacs.</caption>
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<caption>Course of the energies during minimization of GLN172HIS with gromacs.</caption>
 
{| style="border-style: solid; border-width: 1px"
 
{| style="border-style: solid; border-width: 1px"
 
|[[File:mut172 nh amber03 angle.png|200px|thumb|left|Energie of the angles in GLN172HIS in the AMBER03 forcefield.]]
  
|[[File:mut172 nh amber03 angle.png|200px|thumb|left|Energie of the angles in GLN172HIS in the AMBER03 forcefield.]]
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<figtable id="fig:ARG243GLN_energies">
  
<figtable id="fig:ARG243GLN_energies">
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<caption>Course of the energies during minimazation of ARG243GLN with gromacs.</caption>
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<caption>Course of the energies during minimization of ARG243GLN with gromacs.</caption>
 
{| style="border-style: solid; border-width: 1px"
 
{| style="border-style: solid; border-width: 1px"
 
|[[File:mut243 nh amber03 angle.png|200px|thumb|left|Energie of the angles in ARG243GLN in the AMBER03 forcefield.]]
  
|[[File:mut243 nh amber03 angle.png|200px|thumb|left|Energie of the angles in ARG243GLN in the AMBER03 forcefield.]]
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<figtable id="fig:LEU255SER_energies">
  
<figtable id="fig:LEU255SER_energies">
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<caption>Course of the energies during minimazation of LEU255SER with gromacs.</caption>
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<caption>Course of the energies during minimization of LEU255SER with gromacs.</caption>
 
{| style="border-style: solid; border-width: 1px"
 
{| style="border-style: solid; border-width: 1px"
 
|[[File:mut255 nh amber03 angle.png|200px|thumb|left|Energie of the angles in LEU255SER in the AMBER03 forcefield.]]
  
|[[File:mut255 nh amber03 angle.png|200px|thumb|left|Energie of the angles in LEU255SER in the AMBER03 forcefield.]]
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<figtable id="fig:MET276VAL_energies">
  
<figtable id="fig:MET276VAL_energies">
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<caption>Course of the energies during minimazation of MET276VAL with gromacs.</caption>
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<caption>Course of the energies during minimization of MET276VAL with gromacs.</caption>
 
{| style="border-style: solid; border-width: 1px"
 
{| style="border-style: solid; border-width: 1px"
 
|[[File:mut276 nh amber03 angle.png|200px|thumb|left|Energie of the angles in MET276VAL in the AMBER03 forcefield.]]
  
|[[File:mut276 nh amber03 angle.png|200px|thumb|left|Energie of the angles in MET276VAL in the AMBER03 forcefield.]]
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<figtable id="fig:ARG297CYS_energies">
  
<figtable id="fig:ARG297CYS_energies">
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<caption>Course of the energies during minimazation of ARG297CYS with gromacs.</caption>
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<caption>Course of the energies during minimization of ARG297CYS with gromacs.</caption>
 
{| style="border-style: solid; border-width: 1px"
 
{| style="border-style: solid; border-width: 1px"
 
|[[File:mut297 nh amber03 angle.png|200px|thumb|left|Energie of the angles in ARG297CYS in the AMBER03 forcefield.]]
  
|[[File:mut297 nh amber03 angle.png|200px|thumb|left|Energie of the angles in ARG297CYS in the AMBER03 forcefield.]]
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<figtable id="fig:ALA322GLY_energies">
  
<figtable id="fig:ALA322GLY_energies">
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<caption>Course of the energies during minimazation of ALA322GLY with gromacs.</caption>
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<caption>Course of the energies during minimization of ALA322GLY with gromacs.</caption>
 
{| style="border-style: solid; border-width: 1px"
 
{| style="border-style: solid; border-width: 1px"
 
|[[File:mut322 nh amber03 angle.png|200px|thumb|left|Energie of the angles in ALA322GLY in the AMBER03 forcefield.]]
  
|[[File:mut322 nh amber03 angle.png|200px|thumb|left|Energie of the angles in ALA322GLY in the AMBER03 forcefield.]]
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<figtable id="fig:GLU330ASP_energies">
  
<figtable id="fig:GLU330ASP_energies">
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<caption>Course of the energies during minimazation of GLU330ASP with gromacs.</caption>
 +
<caption>Course of the energies during minimization of GLU330ASP with gromacs.</caption>
 
{| style="border-style: solid; border-width: 1px"
 
{| style="border-style: solid; border-width: 1px"
 
|[[File:mut330 nh amber03 angle.png|200px|thumb|left|Energie of the angles in GLU330ASP in the AMBER03 forcefield.]]
  
|[[File:mut330 nh amber03 angle.png|200px|thumb|left|Energie of the angles in GLU330ASP in the AMBER03 forcefield.]]
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<figtable id="fig:GLY337VAL_energies">
  
<figtable id="fig:GLY337VAL_energies">
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<caption>Course of the energies during minimazation of GLY337VAL with gromacs.</caption>
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<caption>Course of the energies during minimization of GLY337VAL with gromacs.</caption>
 
{| style="border-style: solid; border-width: 1px"
 
{| style="border-style: solid; border-width: 1px"
 
|[[File:mut337 nh amber03 angle.png|200px|thumb|left|Energie of the angles in GLY337VAL in the AMBER03 forcefield.]]
  
|[[File:mut337 nh amber03 angle.png|200px|thumb|left|Energie of the angles in GLY337VAL in the AMBER03 forcefield.]]
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<figtable id="fig:ARG408TRP_energies">
  
<figtable id="fig:ARG408TRP_energies">
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<caption>Course of the energies during minimazation of ARG408TRP with gromacs.</caption>
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<caption>Course of the energies during minimization of ARG408TRP with gromacs.</caption>
 
{| style="border-style: solid; border-width: 1px"
 
{| style="border-style: solid; border-width: 1px"
 
|[[File:mut408 nh amber03 angle.png|200px|thumb|left|Energie of the angles in ARG408TRP in the AMBER03 forcefield.]]
  
|[[File:mut408 nh amber03 angle.png|200px|thumb|left|Energie of the angles in ARG408TRP in the AMBER03 forcefield.]]

Latest revision as of 15:43, 25 June 2012

Additional, quite uninteresting plots of the minimization of our mutations:

<figtable id="fig:ARG158GLN_energies"> Course of the energies during minimization of ARG158GLN with gromacs.

Energie of the angles in ARG158GLN in the AMBER03 forcefield.
Energie of the bonds in ARG158GLN in the AMBER03 forcefield.
Potential energy in ARG158GLN in the AMBER03 forcefield.
Energie of the bonds in ARG158GLN in the CHARMM27 forcefield.
Potential energy in ARG158GLN in the CHARMM27 forcefield.
Energie of the angles in ARG158GLN in the OPLS-AA forcefield.
Energie of the bonds in ARG158GLN in the OPLS-AA forcefield.
Potential energy in ARG158GLN in the OPLS-AA forcefield.

</figtable>

<figtable id="fig:GLN172HIS_energies"> Course of the energies during minimization of GLN172HIS with gromacs.

Energie of the angles in GLN172HIS in the AMBER03 forcefield.
Energie of the bonds in GLN172HIS in the AMBER03 forcefield.
Potential energy in GLN172HIS in the AMBER03 forcefield.
Energie of the bonds in GLN172HIS in the CHARMM27 forcefield.
Potential energy in GLN172HIS in the CHARMM27 forcefield.
Energie of the angles in GLN172HIS in the OPLS-AA forcefield.
Energie of the bonds in GLN172HIS in the OPLS-AA forcefield.
Potential energy in GLN172HIS in the OPLS-AA forcefield.

</figtable>

<figtable id="fig:ARG243GLN_energies"> Course of the energies during minimization of ARG243GLN with gromacs.

Energie of the angles in ARG243GLN in the AMBER03 forcefield.
Energie of the bonds in ARG243GLN in the AMBER03 forcefield.
Potential energy in ARG243GLN in the AMBER03 forcefield.
Energie of the bonds in ARG243GLN in the CHARMM27 forcefield.
Potential energy in ARG243GLN in the CHARMM27 forcefield.
Energie of the angles in ARG243GLN in the OPLS-AA forcefield.
Energie of the bonds in ARG243GLN in the OPLS-AA forcefield.
Potential energy in ARG243GLN in the OPLS-AA forcefield.

</figtable>

<figtable id="fig:LEU255SER_energies"> Course of the energies during minimization of LEU255SER with gromacs.

Energie of the angles in LEU255SER in the AMBER03 forcefield.
Energie of the bonds in LEU255SER in the AMBER03 forcefield.
Potential energy in LEU255SER in the AMBER03 forcefield.
Energie of the bonds in LEU255SER in the CHARMM27 forcefield.
Potential energy in LEU255SER in the CHARMM27 forcefield.
Energie of the angles in LEU255SER in the OPLS-AA forcefield.
Energie of the bonds in LEU255SER in the OPLS-AA forcefield.
Potential energy in LEU255SER in the OPLS-AA forcefield.

</figtable>

<figtable id="fig:MET276VAL_energies"> Course of the energies during minimization of MET276VAL with gromacs.

Energie of the angles in MET276VAL in the AMBER03 forcefield.
Energie of the bonds in MET276VAL in the AMBER03 forcefield.
Potential energy in MET276VAL in the AMBER03 forcefield.
Energie of the bonds in MET276VAL in the CHARMM27 forcefield.
Potential energy in MET276VAL in the CHARMM27 forcefield.
Energie of the angles in MET276VAL in the OPLS-AA forcefield.
Energie of the bonds in MET276VAL in the OPLS-AA forcefield.
Potential energy in MET276VAL in the OPLS-AA forcefield.

</figtable>

<figtable id="fig:ARG297CYS_energies"> Course of the energies during minimization of ARG297CYS with gromacs.

Energie of the angles in ARG297CYS in the AMBER03 forcefield.
Energie of the bonds in ARG297CYS in the AMBER03 forcefield.
Potential energy in ARG297CYS in the AMBER03 forcefield.
Energie of the bonds in ARG297CYS in the CHARMM27 forcefield.
Potential energy in ARG297CYS in the CHARMM27 forcefield.
Energie of the angles in ARG297CYS in the OPLS-AA forcefield.
Energie of the bonds in ARG297CYS in the OPLS-AA forcefield.
Potential energy in ARG297CYS in the OPLS-AA forcefield.

</figtable>

<figtable id="fig:ALA322GLY_energies"> Course of the energies during minimization of ALA322GLY with gromacs.

Energie of the angles in ALA322GLY in the AMBER03 forcefield.
Energie of the bonds in ALA322GLY in the AMBER03 forcefield.
Potential energy in ALA322GLY in the AMBER03 forcefield.
Energie of the bonds in ALA322GLY in the CHARMM27 forcefield.
Potential energy in ALA322GLY in the CHARMM27 forcefield.
Energie of the angles in ALA322GLY in the OPLS-AA forcefield.
Energie of the bonds in ALA322GLY in the OPLS-AA forcefield.
Potential energy in ALA322GLY in the OPLS-AA forcefield.

</figtable>

<figtable id="fig:GLU330ASP_energies"> Course of the energies during minimization of GLU330ASP with gromacs.

Energie of the angles in GLU330ASP in the AMBER03 forcefield.
Energie of the bonds in GLU330ASP in the AMBER03 forcefield.
Potential energy in GLU330ASP in the AMBER03 forcefield.
Energie of the bonds in GLU330ASP in the CHARMM27 forcefield.
Potential energy in GLU330ASP in the CHARMM27 forcefield.
Energie of the angles in GLU330ASP in the OPLS-AA forcefield.
Energie of the bonds in GLU330ASP in the OPLS-AA forcefield.
Potential energy in GLU330ASP in the OPLS-AA forcefield.

</figtable>

<figtable id="fig:GLY337VAL_energies"> Course of the energies during minimization of GLY337VAL with gromacs.

Energie of the angles in GLY337VAL in the AMBER03 forcefield.
Energie of the bonds in GLY337VAL in the AMBER03 forcefield.
Potential energy in GLY337VAL in the AMBER03 forcefield.
Energie of the bonds in GLY337VAL in the CHARMM27 forcefield.
Potential energy in GLY337VAL in the CHARMM27 forcefield.
Energie of the angles in GLY337VAL in the OPLS-AA forcefield.
Energie of the bonds in GLY337VAL in the OPLS-AA forcefield.
Potential energy in GLY337VAL in the OPLS-AA forcefield.

</figtable>

<figtable id="fig:ARG408TRP_energies"> Course of the energies during minimization of ARG408TRP with gromacs.

Energie of the angles in ARG408TRP in the AMBER03 forcefield.
Energie of the bonds in ARG408TRP in the AMBER03 forcefield.
Potential energy in ARG408TRP in the AMBER03 forcefield.
Energie of the bonds in ARG408TRP in the CHARMM27 forcefield.
Potential energy in ARG408TRP in the CHARMM27 forcefield.
Energie of the angles in ARG408TRP in the OPLS-AA forcefield.
Energie of the bonds in ARG408TRP in the OPLS-AA forcefield.
Potential energy in ARG408TRP in the OPLS-AA forcefield.

</figtable>

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