Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MAKPYGVVIISHSKDVAKGVHDIIKEIAPDVSITHAGGTEDGRIGTSFDAVNEAIENNEANKVYTFYDLGSAKMNIETVE--EISEKEII----LFNAPILEGAYATAAQVQMDEKPEVIAANLKTIEIK
3IN1 Chain:A ((72-172))
-----GQFILDHCRKENIDIQSLKQDVSIDTSINVGLVTEDGE---------RTFVTNRNGSLW--------KLNIDDVDFARFSQAKLLSLASIFNSPLLDGKALTEIFTQAKARQMIICAD-------
General information:
TITO was launched using:
RESULT:
Template:
3IN1.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -910 for 483 contacts (-1.9/contact) +
2D Compatibility (PS) -9409 + (NN) 2236 + (LL) 1924
1D Compatibility (HY) -6000 + (ID) 1250
Total energy: -13409.0 ( -27.76 by residue)
QMean score : 0.009
(partial model without unconserved sides chains):
PDB file :
Tito_3IN1.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3IN1-query.scw
PDB file :
Tito_Scwrl_3IN1.pdb
: