Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MMKHDIEKVLISEEEIQKKVKELGAELTSEYQDTFPLAIGVLKGALPFMADLIKHIDTY---------LEMDFMDVSSYGNSTVSSGEVKIIKDLD-TSVEGRDILIIEDIIDSGLTLSYLVELFRYRKAKSIKIVTLLDKPSGRKADIKADFVGFEVPDAFVVGYGLDYAERYRNLPYIGVLKPAVYES
5BRN Chain:A ((31-208))
----DLERVFIPHGLIMDRTERLARDVMKEMGGHHIVALCVLKGGYKFFADLLDYIKALNRNSDRSIPMTVDFIRL--------------------LSTLTGKNVLIVEDIIDTGKTMQTLLSLVRQYNPKMVKVASLLVKRTPRSVGYKPDFVGFEIPDKFVVGYALDYNEYFRDLNHVAVI-------
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) -137660 for 1165 contacts (-118.2/contact) +
2D Compatibility (PS) -15930 + (NN) -4252 + (LL) 1580
1D Compatibility (HY) -19600 + (ID) 2950
Total energy: -178812.0 ( -153.49 by residue)
QMean score : 0.480
(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
: