Fabry:Structure-based mutation analysis/MinimiseTables
From Bioinformatikpedia
SCWRL
<figtable id="tab:MinItSCWRL"> Listed are the end energies calculated by minimise after each of the five iterations that were performed. Here the ten structures created by SCWRL are examined. The changes in energy are shown graphically here
| SNP | SCWRL It1 | SCWRL It2 | SCWRL It3 | SCWRL It4 | SCWRL It5 |
|---|---|---|---|---|---|
| A143T | -19350.019312 | -19086.904944 | -18612.004125 | -18465.456994 | -18604.774815 |
| I289V | -19366.341836 | -19106.551703 | -18632.845563 | -18472.982406 | -18599.386068 |
| N215S | -19376.824823 | -19108.432316 | -18643.149199 | -18492.843077 | -18605.553440 |
| P323T | -19411.264840 | -19148.605582 | -18673.449640 | -18534.560820 | -18672.199315 |
| P40S | -19425.839848 | -19168.356042 | -18708.851800 | -18573.675085 | -18667.681188 |
| Q279E | -19139.738142 | -18888.319266 | -18435.718753 | -18269.158013 | -18411.647623 |
| R118H | -19378.220189 | -19061.014555 | -19150.848580 | -18705.456218 | -18537.502227 |
| R356W | -19246.169328 | -18973.967986 | -18503.395130 | -18354.758680 | -18395.730581 |
| S65T | -19352.888992 | -19097.278927 | -18622.231727 | -18466.775427 | -18597.196520 |
| V316I | -19378.784400 | -19116.270827 | -18655.326214 | -18504.630300 | -18626.254331 |
</figtable>
FoldX
<figtable id="tab:MinItFoldX"> Listed are the end energies calculated by minimise after each of the five iterations that were performed. Here the ten structures created by FoldX are examined. The changes in energy are shown graphically here
| SNP | foldX It1 | foldX It2 | foldX It3 | foldX It4 | foldX It5 |
|---|---|---|---|---|---|
| 10 | -19550.473733 | -19190.314305 | -19108.157691 | -18711.504604 | -18680.553293 |
| 1 | -19531.029798 | -19183.692071 | -19089.255299 | -18690.723619 | -18634.371787 |
| 2 | -19537.959020 | -19182.406085 | -19088.330009 | -18705.216460 | -18658.081500 |
| 3 | -19553.220266 | -19200.887512 | -19107.987222 | -18711.451446 | -18689.088254 |
| 4 | -19576.380756 | -19229.958904 | -19127.742078 | -18722.067291 | -18708.061808 |
| 5 | -19561.423303 | -19198.136649 | -19114.694341 | -18706.421023 | -18689.504411 |
| 6 | -19452.866584 | -19081.137040 | -18996.698705 | -18592.060634 | -18576.332278 |
| 7 | -19560.474624 | -19198.616169 | -19122.262254 | -18696.696700 | -18685.805709 |
| 8 | -19520.334103 | -19140.453395 | -19050.367498 | -18640.442363 | -18606.342629 |
| 9 | -19548.207104 | -19189.549676 | -19114.216039 | -18721.317687 | -18697.326878 |
</figtable>
