Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MDIENYCQDYCLETIFPKHYFKDLQVITLTAGQSVCKQGEQLEYLHYIVKGRFKIVRRLFNGKEHILDIKTKPTLIGDIELLT-NRQIVSSVIALEDLTVIQLSLKGRKEKLLTDATFLLKLSQELAQAFHDQNIKASTNLGYTVKELLASHILAIEEQ-------GY--FQLELSSLADSFGVSYRHLLRVIHDMVKEGLIQKEKPKYFIKNRFALESLNIQP
3KCC Chain:A ((59-257))
-------------DPTLEWFLSHCHIHKYPSKSTLIHQGEKAETLYYIVKGSVAVLIKDEEGKEMILSYLNQGDFIGELGLFEEGQERSAWVRAKTACEVAEISYKKFRQLIQVNPDILMRLSAQMARRLQVTSEKVGNLAFLLVTGRIAQTLLNLAKQPDAMTHPDGMQIKITRQEIGQIVGCSRETVGRILKMLEDQNLISAHGKTIVVY------------
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) -100219 for 1340 contacts (-74.8/contact) +
2D Compatibility (PS) -20434 + (NN) -6829 + (LL) 1808
1D Compatibility (HY) -13200 + (ID) 1850
Total energy: -140724.0 ( -105.02 by residue)
QMean score : 0.401
(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
: