Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTHVEVVATIAPQL-------SIEETLIQKINHRIDAIDVLELRIDQIENVT-VDQVAEMITKLKVMQDSFKLLVTYRTKLQGGYGQFINDLYLNLISDLANINGIDMIDIE-WQADIDIEKHQRIIKHLQQYNKEVVISHHNFESTPPLDELQFIFFKMQKFNPEYVKLAVMPHNKNDVLNLLQAMSTFSDT-MDCKVVGISMSKLGLISRTAQGVFGGALTYGCIGEPQAPGQIDVTDLKAQVTLY
3S42 Chain:B ((34-272))
-----VVGEGAPKIIVSLMGKTITDVKSEALAYREADFDILEWRVDHFANVTTAESVLEAAGAIREIITDKPLLFTFRSAKEGGEQALTTGQYIDLNRAAVDSGLVDMIDLELFTGDDEVKA---TVGYAHQHNVAVIMSNHDFHKTPAAEEIVQRLRKMQELGADIPKIAVMPQTKADVLTLLTATVEMQERYADRPIITMSMSKTGVISRLAGEVFGSAATFGAVKKASAPGQISVADLRTVLTI-
General information:
TITO was launched using:
RESULT:
Template:
3S42.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -133628 for 1896 contacts (-70.5/contact) +
2D Compatibility (PS) -24385 + (NN) -10270 + (LL) 956
1D Compatibility (HY) -12400 + (ID) 3950
Total energy: -183677.0 ( -96.88 by residue)
QMean score : 0.457
(partial model without unconserved sides chains):
PDB file :
Tito_3S42.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3S42-query.scw
PDB file :
Tito_Scwrl_3S42.pdb
: