Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MARNNPNIKLLYIRDLFAKECKEIEEYCILGKKQHIQISPEEGKLLSLFIKIHKVRSIVEIGTLYGYSSICMAKALPEYGHIYTIENNPKHFKIAKKNFNAFNMSNKITLIVGNALEKLAELSAKAPYDMIFIDADKAGYPKYLDWAESYIKQDGLIVADNTLLLNTVFLKSPPKEVLEKSWRAMREFNYRLSDEKKYCSILIPTDEGMTIALKLT
4PCA Chain:D ((47-226))
------------------------------------QLGTVEGQMLQLLIRMAGIHSIVEVGTCVGFSAICMAHALPSKGHIYTIEKDYENVVTANQNIVNCKLEDKITVLHGEALAQLNTLKEMAPFDMIFIDANKSSYLAYLNWAKMYIRKGGLIVADNTFLFGSVFDEHP-EKVSSNAHASMRAFNDELANKEKYLSTIIPTSEGMMVSIKLT
General information:
TITO was launched using:
RESULT:
Template:
4PCA.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -115582 for 1479 contacts (-78.1/contact) +
2D Compatibility (PS) -19321 + (NN) -5927 + (LL) 2980
1D Compatibility (HY) -21600 + (ID) 4250
Total energy: -163700.0 ( -110.68 by residue)
QMean score : 0.675
(partial model without unconserved sides chains):
PDB file :
Tito_4PCA.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4PCA-query.scw
PDB file :
Tito_Scwrl_4PCA.pdb
: