Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLKELRQKRPLVHNITNYVVAQFVANGLLALGVSPLMSDAIAEMPDLAKISDALAINIGTLNERTILCAKEAIKRYKALNKPIVLDPVGCSASALRYDTSLELLESKGISTLRGNAAELGSLVGISCESKGLDSKHSATP-IEIVKRAAQKYSVIAVMTGKTDYVSDGKKVLSITGGSEYLAAITGAGCLHAAACASFLSLKKDPLDSMVQLCAFYKQAAFSAQKKALENNGSNGSFLFYFLDALSLPIELENSLIKEEL
1ESQ Chain:B ((22-269))
-LTAVRRHSPLVHSITNNVVTNFTANGLLALGASPVMAYAKEEVADMAKIAGALVLNIGTLSKESVEAMIIAGKSANEHGVPVILDPVGAGATPFRTESARDIIREVRLAAIRGNAAEIAHTVGVT-------------DIIRLAQQAAQKLNTVIAITGEVDVIADTSHVYTLHNGHKLLTKVTGAGSLLTSVVGAFCAVEENPLFAAIAAISSYGVAAQLAAQQTADKG--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) -160548 for 2150 contacts (-74.7/contact) +
2D Compatibility (PS) -25371 + (NN) -11617 + (LL) 380
1D Compatibility (HY) -13600 + (ID) 4250
Total energy: -215006.0 ( -100.00 by residue)
QMean score : 0.476
(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
: