Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTYELPKLPYTYDALEPNFDKETMEIHYTKHHNTYVTKLNEAVAGHPELASKSAEELVTNLDSVPEDIRGAVRNHGGGHANHTLFWSILSPNGGGAPTGNLKAAIESEFGTFDEFKEKFNAAAAARFGSGWAWLVVNDGKLEIVSTANQDSPLSD------GKTPVLGLDVWEHAYYLKFQNRRPEYIETFWNVINWDEANKRFDAAK
3KKY Chain:A ((2-211))
-AYTLPQLPYAYDALEPHIDARTMEIHHTKHHQTYVDNANKALEG-TEFADLPVEQLIQQLDRVPADKKGALRNNAGGHANHSMFWQIMGQ--ANQPSGELLDAINSAFGSFDAFK-KFEDAAKTRFGSGWAWLVVKDGKLDVVSTANQDNPLMGEAIAGVSGTPILGVDVWEHAYYLNYQNRRPDYLAAFWNVVNWDEVSKRYAAAK
General information:
TITO was launched using:
RESULT:
Template:
3KKY.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -70503 for 1562 contacts (-45.1/contact) +
2D Compatibility (PS) -20573 + (NN) -6848 + (LL) 104
1D Compatibility (HY) -21200 + (ID) 6100
Total energy: -125120.0 ( -80.10 by residue)
QMean score : 0.708
(partial model without unconserved sides chains):
PDB file :
Tito_3KKY.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3KKY-query.scw
PDB file :
Tito_Scwrl_3KKY.pdb
: