Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
--------MLKELRQKRPLVHNITNYVVAQFVANGLLALGVSPLMSDAIAEMPDLAKISDALAINIGTLNERTILCAKEAIKRYKALNKPIVLDPVGCSASALRYDTSLELLESKGISTLRGNAAELGSLVGIS-CESKGLDSKH-SATPIEIVKRAAQKYSVIAVMTGKTDYVSDGKKVLSITGGSEYLAAITGAGCLHAAACASFLSLKKDPLDSMVQLCAFYKQAAFSAQKKALENNGSNGSFLFYFLDALSLPIELENSLIKEEL--------
1C3Q Chain:A ((13-284))
MDAQSAAKCLTAVRRHSPLVHSITNNVVTNFTANGLLALGASPVMAYAKEEVADMAKIAGALVLNIGTLSKESVEAMIIAGKSANEHGVPVILDPVGAGATPFRTESARDIIREVRLAAIRGNAAEIAHTVGVTDWLIKGVDAGEGGGDIIRLAQQAAQKLNTVIAITGEVDVIADTSHVYTLHNGHKLLTKVTGAGCLLTSVVGAFCAVEENPLFAAIAAISSYGVAAQLAAQQT--ADKGPGSFQIELLNKLST---VTEQDVQEWATIERVTVS
General information:
TITO was launched using:
RESULT:
Template:
1C3Q.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -170527 for 2307 contacts (-73.9/contact) +
2D Compatibility (PS) -27558 + (NN) -12979 + (LL) 448
1D Compatibility (HY) -16400 + (ID) 4450
Total energy: -231466.0 ( -100.33 by residue)
QMean score : 0.479
(partial model without unconserved sides chains):
PDB file :
Tito_1C3Q.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1C3Q-query.scw
PDB file :
Tito_Scwrl_1C3Q.pdb
: