Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTYELPKLPYTYDALEPNFDKETMEIHYTKHHNTYVTKLNEAVAGHPELASKSAEELVTNLDSVPEDIRGAVRNHGGGHANHTLFWSILSPNGGGAPTGNLKAAIESEFGTFDEFKEKFNAAAAARFGSGWAWLVVNDGKLEIVSTANQDSPLSDGKTPVLGLDVWEHAYYLKFQNRRPEYIETFWNVINWDEANKRFDAAK
1XUQ Chain:B ((13-211))
--HELPNLPYAYDALEPHFDKETMNIHHTKHHNTYITNLNAALEGHAELADKSVEELVANLNEVPEAIRTAVRNNGGGHANHTFFWTILSPNGGGQPVGELATAIEAKFGSFDAFKEEFAKAGATRFGSGWAWLVVNNGELEVTSTPNQDSPLTEGKTPVIGLDVWEHAYYLNYQNRRPDYIGAFWNVVDWNAAEKRYQEA-
General information:
TITO was launched using:
RESULT:
Template:
1XUQ.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -65201 for 1593 contacts (-40.9/contact) +
2D Compatibility (PS) -21049 + (NN) -8294 + (LL) 324
1D Compatibility (HY) -21200 + (ID) 7100
Total energy: -122520.0 ( -76.91 by residue)
QMean score : 0.706
(partial model without unconserved sides chains):
PDB file :
Tito_1XUQ.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1XUQ-query.scw
PDB file :
Tito_Scwrl_1XUQ.pdb
: