Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSDHLTACAAVHPGPLVSHLSVMHRFRIYVDIAVVVLVLVLTNLIAHFTTPWASIATVPAAAVGLVILVRSRGLGWAELGLSRQHWKSGLVYALAAVALVVAVISVGVLLPITRPMFMNHHYATISGAVIASMVMIPLQTVIPEELAFRGVLHGALNRAWGFRGVAVAGSVLFGLWHIATSLGLTSSNVGFTRLFGGGIIGLVAGVMLAVLATGVAGFVFSWLRRRSG-SLIAPIALHWSLNGMGALAAALVWHLST-----------------------
4CAD Chain:C ((8-269))
--------------------NPKLYFLSTFVVTYILWFTGAYLSFSSTYSGIYMLIMLPGLMAPFIISTILIAKKKDFINRLFNLKLINLKTIPVVFLLMPAVILLSILLSIPFGG--SISQFQFSGGDFVPVLFLLLLAATFEELGWRGYAFDSLQSRYSLFKASILFGIFWSLWHFPLIFVNNSYQYEIFNQ-------SIWYGLNFFLSILPMGIIITWMCLKNRKSIILAIIFHFLINLNQELLAITQDTKIIETGVLFLVAAAIILYDKKMFFEK
General information:
TITO was launched using:
RESULT:
Template:
4CAD.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -159924 for 1656 contacts (-96.6/contact) +
2D Compatibility (PS) -23055 + (NN) -3794 + (LL) 1400
1D Compatibility (HY) -11200 + (ID) 1700
Total energy: -198273.0 ( -119.73 by residue)
QMean score : 0.185
(partial model without unconserved sides chains):
PDB file :
Tito_4CAD.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4CAD-query.scw
PDB file :
Tito_Scwrl_4CAD.pdb
: