Difference between revisions of "Canavan Disease: Task 09 - Supplement"

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(Created page with "<figtable id="foldX"> {| border="1" cellpadding="5" cellspacing="0" align="center" style="text-align:center" |- ! colspan="23" style="background:#87CEFA;" width="500"| foldX Resu…")
 
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==FoldX==
 
<figtable id="foldX">
 
<figtable id="foldX">
 
{| border="1" cellpadding="5" cellspacing="0" align="center" style="text-align:center"
 
{| border="1" cellpadding="5" cellspacing="0" align="center" style="text-align:center"
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<center><small>'''<caption>''' foldX results </caption></small></center>
 
<center><small>'''<caption>''' foldX results </caption></small></center>
 
</figtable>
 
</figtable>
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==Energy Comparison==
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<figtable id="energy_comp">
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{| border="1" cellpadding="5" cellspacing="0" align="center" style="text-align:center"
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|-
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! colspan="6" style="background:#87CEFA;" width="500"| Minimization of foldX structures
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|-
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! rowspan="2" style="background:#BFBFBF;"| Mutation
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! colspan="5" style="background:#BFBFBF;"| Iteration
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|-
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! style="background:#E5E5E5;" align="center" | #1
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! style="background:#E5E5E5;" align="center" | #2
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! style="background:#E5E5E5;" align="center" | #3
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! style="background:#E5E5E5;" align="center" | #4
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! style="background:#E5E5E5;" align="center" | #5
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|-
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|Wildtype||-15030||-15133||-14690||-14689||-14445
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|-
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|Asn121Asp||-14958||-15062||-14610||-14617||-14391
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|-
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|His21Pro||-14962||-15069||-14624||-14624||-14389
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|-
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|Pro129Ala||-15049||-15148||-14708||-14712||-14468
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|-
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|Pro257Arg||-14991||-15094||-14644||-14648||-14406
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|-
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|Thr166Ile||-14128||-15026||-14711||-14290||-14301
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|-
  +
|}

Revision as of 14:06, 1 September 2013

FoldX

<figtable id="foldX">

foldX Result List
Mutation Total Energy Backbone Hbond Sidechain Hbond Van der Waals Electrostatics Solvation Polar Solvation Hydrophobic Van der Waals Clashes Entropy Sidechain Entropy Mainchain Sloop_Entropy Mloop_Entropy Cis_Bond Torsional Clash Backbone Clash Helix Dipole Water Bridge Disulfide Electrostatic Kon Partial Covalent Bonds Energy Ionisation Entropy Complex
Wildtype 144.46 -348.85 -111.78 -750.45 -36.46 985.82 -998.14 75.54 374.56 930.45 0.00 0.00 8.08 53.11 357.94 -3.05 -6.28 0.00 -1.13 -29.63 2.66 0.00
Asn121Asp 145.46 -348.38 -112.53 -750.20 -35.65 987.17 -998.00 75.59 373.86 929.57 0.00 0.00 8.08 51.67 357.74 -3.13 -4.45 0.00 -1.17 -29.63 2.66 0.00
His21Pro 145.85 -349.14 -110.89 -748.05 -35.60 980.22 -997.07 73.77 372.49 931.09 0.00 0.00 8.08 52.01 356.94 -3.02 -5.11 0.00 -1.13 -24.30 2.51 0.00
Pro149Ala 148.04 -348.85 -111.78 -750.34 -36.46 987.21 -998.03 74.87 374.16 930.76 0.00 0.00 6.95 55.14 358.44 -3.05 -4.45 0.00 -1.13 -29.63 2.66 0.00
Pro257Arg 149.63 -349.67 -112.74 -750.59 -36.69 988.68 -997.85 75.54 375.35 931.92 0.00 0.00 8.08 53.22 358.75 -3.05 -4.45 0.00 -1.13 -29.63 2.66 0.00
Thr166Ile 147.35 -347.52 -112.78 -751.45 -36.74 988.51 -1000.35 78.16 374.57 929.25 0.00 0.00 8.08 53.22 357.95 -3.05 -4.45 0.00 -1.13 -29.63 2.67 0.00
foldX results

</figtable>


Energy Comparison

<figtable id="energy_comp">

Minimization of foldX structures
Mutation Iteration
#1 #2 #3 #4 #5
Wildtype -15030 -15133 -14690 -14689 -14445
Asn121Asp -14958 -15062 -14610 -14617 -14391
His21Pro -14962 -15069 -14624 -14624 -14389
Pro129Ala -15049 -15148 -14708 -14712 -14468
Pro257Arg -14991 -15094 -14644 -14648 -14406
Thr166Ile -14128 -15026 -14711 -14290 -14301