Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLNTTQKSLLVFMGVFFLIFGVDQAIKHAILE-GFH----YESLVIDIVLV-----------FNKGVAFSL--LSFLEGGLKYLQILLILGLFIFLMRQKELFKS---------HAIEFGMVFGAGVSNVLDRFVHGGVVDYVYYHYG--------FDFAIFNFADVMIDVG----VGVLL-------LRQFFFKQKQNKIKGIITLFK--------
1QVA Chain:A ((11-223))
QIQTNYQKVVYK----FDDMELDEQLLRGVFGYGFEEPSAIQQRAIMPIIEGHDVLAQAQSGTGKTGTFSIAALQRIDTSVKAPQALMLAPTRELALQIQKVVMALAFHMDIKVHACIGGTSFVEDAEGLRDAQIVVGTPGRVFDNIQRRRFRTDKIKMFILDEADEMLSSGFKEQIYQIFTLLPPTTQVVLLSATMPNDVLEVTTKFMRNPVRILV
General information:
TITO was launched using:
RESULT:
Template:
1QVA.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -169565 for 1130 contacts (-150.1/contact) +
2D Compatibility (PS) -16066 + (NN) 3660 + (LL) 360
1D Compatibility (HY) -4400 + (ID) 1400
Total energy: -187411.0 ( -165.85 by residue)
QMean score : 0.325
(partial model without unconserved sides chains):
PDB file :
Tito_1QVA.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1QVA-query.scw
PDB file :
Tito_Scwrl_1QVA.pdb
: