Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MMKHDIEKVLISEEEIQKKVKELGAELTSEYQDTFPLAIGVLKGALPFMADLIKHIDTY---------LEMDFMDVSSYGNSTVSSGEVKIIKDLD-TSVEGRDILIIEDIIDSGLTLSYLVELFRYRKAKSIKIVTLLDKPSGRKADIKADFVGFEVPDAFVVGYGLDYAERYRNLPYIGVLKPAVYES
4RAQ Chain:B ((30-207))
----DLERVFIPHGLIMDRTERLARDVMKEMGGHHIVALCVLKGGYKFFADLLDYIKALNRNSDRSIPMTVDFIRLK-----------IKVI----LSTLTGKNVLIVEDIIDTGKTMQTLLSLVRQYNPKMVKVASLLVKRTPRSVGYKPDFVGFEIPDKFVVGYALDYNEYFRDLNHVCVI-------
General information:
TITO was launched using:
RESULT:
Template:
4RAQ.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -145207 for 1202 contacts (-120.8/contact) +
2D Compatibility (PS) -16393 + (NN) -4426 + (LL) 944
1D Compatibility (HY) -20800 + (ID) 3050
Total energy: -188932.0 ( -157.18 by residue)
QMean score : 0.476
(partial model without unconserved sides chains):
PDB file :
Tito_4RAQ.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4RAQ-query.scw
PDB file :
Tito_Scwrl_4RAQ.pdb
: