Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MMKHDIEKVLISEEEIQKKVKELGAELTSEYQDTFPLAIGVLKGALPFMADLIKHIDTY---------LEMDFMDVSSYGNSTVSSGEVKIIKDLD-TSVEGRDILIIEDIIDSGLTLSYLVELFRYRKAKSIKIVTLLDKPSGRKADIKADFVGFEVPDAFVVGYGLDYAERYRNLPYIGVLKPAVYES
4RAQ Chain:C ((30-207))
----DLERVFIPHGLIMDRTERLARDVMKEMGGHHIVALCVLKGGYKFFADLLDYIKALNRNSDRSIPMTVDFIRL---------------IGGDDLSTLTGKNVLIVEDIIDTGKTMQTLLSLVRQYNPKMVKVASLLVKRTPR-VGYKPDFVGFEIPDKFVVGYALDYNEYFRDLNHVCVI-------
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) -139169 for 1202 contacts (-115.8/contact) +
2D Compatibility (PS) -16240 + (NN) -3362 + (LL) 1352
1D Compatibility (HY) -19600 + (ID) 3050
Total energy: -180069.0 ( -149.81 by residue)
QMean score : 0.508
(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
: