Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MARNNPNIKLLYIRDLFAKECKEIEEYCILGKKQHIQISPEEGKLLSLFIKIHKVRSIVEIGTLYGYSSICMAKALPEYGHIYTIENNPKHFKIAKKNFNAFNMSNKITLIVGNALEKLAELSAKAPYDMIFIDADKAGYPKYLDWAESYIKQDGLIVADNTLLLNTVFLKSPPKEVLEKSWRAMREFNYRLSDEKKYCSILIPTDEGMTIALKLT
4PCL Chain:A ((47-226))
------------------------------------QLGTVEGQMLQLLIRMAGIHSIVEVGTCVGFSAICMAHALPSKGHIYTIEKDYENVVTANQNIVNCKLEDKITVLHGEALAQLNTLKEMAPFDMIFIDANKSSYLAYLNWAKMYIRKGGLIVADNTFLFGSVFDEHPTEKVSSNAHASMRAFNDELANKEKYLSTIIPTSEGMMVSIKLT
General information:
TITO was launched using:
RESULT:
Template:
4PCL.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -117372 for 1492 contacts (-78.7/contact) +
2D Compatibility (PS) -19455 + (NN) -6305 + (LL) 3120
1D Compatibility (HY) -21600 + (ID) 4250
Total energy: -165862.0 ( -111.17 by residue)
QMean score : 0.634
(partial model without unconserved sides chains):
PDB file :
Tito_4PCL.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4PCL-query.scw
PDB file :
Tito_Scwrl_4PCL.pdb
: