Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MMKHDIEKVLISEEEIQKKVKELGAELTSEYQDTFPLAIGVLKGALPFMADLIKHIDTY---------LEMDFMDVSSYGNSTVSSGEVKIIKDLD-TSVEGRDILIIEDIIDSGLTLSYLVELFRYRKAKSIKIVTLLDKPSGRKADIKADFVGFEVPDAFVVGYGLDYAERYRNLPYIGVLKPAVYES
5BRN Chain:B ((31-208))
----DLERVFIPHGLIMDRTERLARDVMKEMGGHHIVALCVLKGGYKFFADLLDYIKALNRNSDRSIPMTVDFIRL-------------------DLSTLTGKNVLIVEDIIDTGKTMQTLLSLVRQYNPKMVKVASLLVKR--RSVGYKPDFVGFEIPDKFVVGYALDYNEYFRDLNHVAVI-------
General information:
TITO was launched using:
RESULT:
Template:
5BRN.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -133594 for 1141 contacts (-117.1/contact) +
2D Compatibility (PS) -15577 + (NN) -2991 + (LL) 1456
1D Compatibility (HY) -19600 + (ID) 3000
Total energy: -173306.0 ( -151.89 by residue)
QMean score : 0.521
(partial model without unconserved sides chains):
PDB file :
Tito_5BRN.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-5BRN-query.scw
PDB file :
Tito_Scwrl_5BRN.pdb
: