Difference between revisions of "ASPA Structure Based Mutation Analysis"

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[[File:ASPA Timegraph.png]]
  
[[File:ASPA Timegraph.png]]
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===Pictures===
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<table>
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<tr><td> </td><td align=center><b>Wildtype</b></td><td align=center><b>Mutation</b></td></tr>
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<tr><td><b>RS104894553</b></td><td>[[File:Wt rs104894553.png|500px]]</td><td>[[File:Mut rs104894553.png|500px]]</td></tr>
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<tr><td><b>CM940124</b></td><td>[[File:Wt cm940124.png|500px]]</td><td>[[File:Mut cm940124.png|500px]]</td></tr>
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<tr><td><b>CM063847</b></td><td>[[File:Wt cm063847.png|500px]]</td><td>[[File:Mut cm063847.png|500px]]</td></tr>
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<tr><td><b>RS80099330</b></td><td>[[File:Wt rs80099330.png|500px]]</td><td>[[File:Mut rs80099330.png|500px]]</td></tr>
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<tr><td><b>CM990193</b></td><td>[[File:Wt cm990193.png|500px]]</td><td>[[File:Mut cm990193.png|500px]]</td></tr>
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<tr><td><b>RS104894548</b></td><td>[[File:Wt rs104894548.png|500px]]</td><td>[[File:Mut rs104894548.png|500px]]</td></tr>
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<tr><td><b>CM990195</b></td><td>[[File:Wt cm990195.png|500px]]</td><td>[[File:Mut cm990195.png|500px]]</td></tr>
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<tr><td><b>CM055097</b></td><td>[[File:Wt cm055097.png|500px]]</td><td>[[File:Mut cm055097.png|500px]]</td></tr>
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<tr><td><b>RS104894551</b></td><td>[[File:Wt rs104894551.png|500px]]</td><td>[[File:Mut rs104894551.png|500px]]</td></tr>
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<tr><td><b>CM994594</b></td><td>[[File:Wt cm994594.png|500px]]</td><td>[[File:Mut cm994594.png|500px]]</td></tr>
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</table>

Revision as of 20:39, 24 August 2011

FoldX

Mutation BackHbond SideHbond Energy_VdW Electro SolvP SolvH vdwclash torsion bb_vdwclash Entropy_sidec Entropy_mainc water bonds helix dipole loop_entropy cis_bond disulfide kn electrostatic partial covalent interactions Ionisation Entropy Complex Total
WT -351.60 -113.32 -753.77 -34.77 991.74 -1003.86 94.80 42.16 375.34 372.13 941.00 -1.73 -1.78 0.00 9.05 0.00 -0.94 -26.09 2.96 0.00 165.97
CM055097 -355.76 -113.21 -759.56 -33.94 986.09 -1010.92 170.97 80.70 377.29 374.36 942.29 0.00 -1.21 0.00 9.03 0.00 -0.63 0.00 3.65 0.00 291.86
CM063847 -355.74 -112.37 -759.94 -34.09 985.12 -1012.35 178.46 80.88 377.32 374.49 942.56 0.00 -1.44 0.00 9.03 0.00 -0.63 0.00 3.68 0.00 297.66
CM940124 -355.67 -113.51 -760.79 -33.98 989.54 -1012.11 185.56 80.68 377.55 375.73 942.35 0.00 -1.76 0.00 9.03 0.00 -0.63 0.00 3.64 0.00 308.08
CM990193 -355.77 -113.23 -760.51 -33.74 987.84 -1011.65 194.71 80.60 377.51 374.59 944.00 0.00 -1.44 0.00 9.03 0.00 -0.63 0.00 3.79 0.00 317.61
CM990195 -355.82 -113.22 -759.67 -34.61 989.16 -1009.25 179.53 80.75 377.29 374.77 942.43 0.00 -1.36 0.00 9.03 0.00 -0.63 0.00 3.64 0.00 304.76
CM994594 -355.60 -113.20 -756.93 -33.66 982.92 -1007.28 169.81 80.49 376.73 373.69 941.91 0.00 -1.44 0.00 9.03 0.00 -0.63 0.00 3.64 0.00 292.75
RS104894548 -355.81 -113.21 -760.68 -33.70 989.00 -1011.59 187.60 80.73 377.34 375.06 942.60 0.00 -1.39 0.00 9.03 0.00 -0.63 0.00 3.64 0.00 310.63
RS104894551 -355.68 -113.48 -757.12 -31.38 979.51 -1008.38 168.90 80.33 376.85 372.68 942.57 0.00 -1.45 0.00 9.03 0.00 -0.63 0.00 3.11 0.00 288.02
RS104894553 -355.73 -113.24 -759.08 -35.12 985.71 -1010.41 173.40 80.55 377.28 374.26 942.65 0.00 -1.41 0.00 9.03 0.00 -0.63 0.00 4.03 0.00 294.00
RS80099330 -355.61 -113.21 -758.06 -33.77 984.24 -1008.91 170.10 80.58 377.03 373.24 942.10 0.00 -1.44 0.00 9.03 0.00 -0.63 0.00 3.64 0.00 291.29


Minimise

Mutation WT cm055097 cm063847 cm940124 cm990193 cm990195 cm994594 rs104894548 rs104894551 rs104894553 rs80099330
Energy -14776.478983 -14054.020681 -12533.719784 -11003.916326 -12670.140717 -11757.261266 -14164.353463 -8677.102143 -14220.689449 -14035.011150 -14141.901598



Gromacs

ASPA Timegraph.png


Pictures

WildtypeMutation
RS104894553Wt rs104894553.pngMut rs104894553.png
CM940124Wt cm940124.pngMut cm940124.png
CM063847Wt cm063847.pngMut cm063847.png
RS80099330Wt rs80099330.pngMut rs80099330.png
CM990193Wt cm990193.pngMut cm990193.png
RS104894548Wt rs104894548.pngMut rs104894548.png
CM990195Wt cm990195.pngMut cm990195.png
CM055097Wt cm055097.pngMut cm055097.png
RS104894551Wt rs104894551.pngMut rs104894551.png
CM994594Wt cm994594.pngMut cm994594.png
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