Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MDQPWNANIHYDALLDAMVPLGTQCVLDVGCGDGLLAARLARRIPYVTAVDIDAPVLRRAQTRFA---NAPIRWLHADIMTAELPNAGFDAVVSNAALHHIEDTRTALSRLGGLVTPGGTLAVVTFVTPSLRNGLWHLTSWVACGMANRVKGKWEHSAPIKWPPPQTLHELRSHVRALLPGACIRRLLYGRVLVTWRAPV
1XXL Chain:A ((20-128))
--------------------RAEHRVLDIGAGAGHTALAFSPYVQECIGVDATKEMVEVASSFAQEKGVENVRFQQGTAESLPFPDDSFDIITCRYAAHHFSDVRKAVREVARVLKQDGRFLLVDHYAP-----------------------------------------------------------------------
General information:
TITO was launched using:
RESULT:
Template:
1XXL.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -80246 for 814 contacts (-98.6/contact) +
2D Compatibility (PS) -11750 + (NN) -7262 + (LL) 6396
1D Compatibility (HY) -3600 + (ID) 1150
Total energy: -97612.0 ( -119.92 by residue)
QMean score : 0.498
(partial model without unconserved sides chains):
PDB file :
Tito_1XXL.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1XXL-query.scw
PDB file :
Tito_Scwrl_1XXL.pdb
: