Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MMKHDIEKVLISEEEIQKKVKELGAELTSEYQDTFPLAIGVLKGALPFMADLIKHIDTY---------LEMDFMDVSSYGNSTVSSGEVKIIKDLD-TSVEGRDILIIEDIIDSGLTLSYLVELFRYRKAKSIKIVTLLDKPSGRKADIKADFVGFEVPDAFVVGYGLDYAERYRNLPYIGVLKPAVYES
4RAO Chain:D ((30-207))
----DLERVFIPHGLIMDRTERLARDVMKEMGGHHIVALCVLKGGYKFFADLLDYIKALNRNSDRSIPMTVDFIRLKSY--------DIKVIGGDDLSTLTGKNVLIVEDIIDTGKTMQTLLSLVRQYNPKMVKVASLLVKRTPRSVGYKPDFVGFEIPDKFVVGYALDYNEYFRDLNHVCVI-------
General information:
TITO was launched using:
RESULT:
Template:
4RAO.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -140343 for 1261 contacts (-111.3/contact) +
2D Compatibility (PS) -17373 + (NN) -4907 + (LL) 688
1D Compatibility (HY) -20800 + (ID) 3200
Total energy: -185935.0 ( -147.45 by residue)
QMean score : 0.485
(partial model without unconserved sides chains):
PDB file :
Tito_4RAO.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4RAO-query.scw
PDB file :
Tito_Scwrl_4RAO.pdb
: