Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLKELRQKRPLVHNITNYVVAQFVANGLLALGVSPLMSDAIAEMPDLAKISDALAINIGTLNERTILCAKEAIKRYKALNKPIVLDPVGCSASALRYDTSLELLESKGISTLRGNAAELGSLVGIS-CESKGLDSKHSATP-IEIVKRAAQKYSVIAVMTGKTDYVSDGKKVLSITGGSEYLAAITGAGCLHAAACASFLSLKKDPLDSMVQLCAFYKQAAFSAQKKALENNGSNGSFLFYFLDALSLPIELENSLIKEEL
1ESQ Chain:C ((22-269))
-LTAVRRHSPLVHSITNNVVTNFTANGLLALGASPVMAYAKEEVADMAKIAGALVLNIGTLSKESVEAMIIAGKSANEHGVPVILDPVGAGATPFRTESARDIIREVRLAAIRGNAAEIAHTVGVTDWL----------GDIIRLAQQAAQKLNTVIAITGEVDVIADTSHVYTLHNGHKLLTKVTGAGSLLTSVVGAFCAVEENPLFAAIAAISSYGVAAQLAAQQTADKG--PGSFQIELLNKLSTVTEQDVQEWATIE
General information:
TITO was launched using:
RESULT:
Template:
1ESQ.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -163364 for 2155 contacts (-75.8/contact) +
2D Compatibility (PS) -25545 + (NN) -12690 + (LL) 168
1D Compatibility (HY) -14000 + (ID) 4200
Total energy: -219631.0 ( -101.92 by residue)
QMean score : 0.466
(partial model without unconserved sides chains):
PDB file :
Tito_1ESQ.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1ESQ-query.scw
PDB file :
Tito_Scwrl_1ESQ.pdb
: