Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MMKHDIEKVLISEEEIQKKVKELGAELTSEYQDTFPLAIGVLKGALPFMADLIKHIDTY---------LEMDFMDVSSYGNSTVSSGEVKIIKDLD-TSVEGRDILIIEDIIDSGLTLSYLVELFRYRKAKSIKIVTLLDKPSGRKADIKADFVGFEVPDAFVVGYGLDYAERYRNLPYIGVLKPAVYES
4RAQ Chain:D ((30-207))
----DLERVFIPHGLIMDRTERLARDVMKEMGGHHIVALCVLKGGYKFFADLLDYIKALNRNSDRSIPMTVDFIRLK-------------VIG--DLSTLTGKNVLIVEDIIDTGKTMQTLLSLVRQYNPKMVKVASLLVKRTPRSVGYKPDFVGFEIPDKFVVGYALDYNEYFRDLNHVCVI-------
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) -144008 for 1212 contacts (-118.8/contact) +
2D Compatibility (PS) -16413 + (NN) -3903 + (LL) 1212
1D Compatibility (HY) -20400 + (ID) 3050
Total energy: -186562.0 ( -153.93 by residue)
QMean score : 0.455
(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
: