Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLFLKELESNLTVSKLMELCFEHPNYKDYCSVISTKKGEVLESLSPAGTKVYFVLSGIYGMIVEEDAEMEEESCKECIVRFLQKGDSFGLYHLFY-DEWSPHVSMQSLGHGEVMEVDSNFLFSIFDKKDENNFFMIKVMAEELREAHT-FAKLSFLKKEERIRKAILKCAQTLGTFSDNGILLPREITQEVLARYTNTSREYVAHTVMHLIKEDIIRNRPKPLLVMDKTRL
3KCC Chain:A ((63-257))
-----------------------EWFLSHCHIHKYPSKSTLIHQGEKAETLYYIVKGSVAVLIKDE------EGKEMILSYLNQGDFIGELGLFEEGQERSA-WVRAKTACEVAEISYKKFRQLIQVNPDILMRLSAQMARRLQVTSEKVGNLAFLLVTGRIAQTLLNLAKQPDAMTH-PDGMQIKITRQEIGQIVGCSRETVGRILKMLEDQNLISAHGKTIVVY-----
General information:
TITO was launched using:
RESULT:
Template:
3KCC.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -86277 for 1369 contacts (-63.0/contact) +
2D Compatibility (PS) -21115 + (NN) -13757 + (LL) 3684
1D Compatibility (HY) -12400 + (ID) 1800
Total energy: -131665.0 ( -96.18 by residue)
QMean score : 0.350
(partial model without unconserved sides chains):
PDB file :
Tito_3KCC.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3KCC-query.scw
PDB file :
Tito_Scwrl_3KCC.pdb
: