Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLKELRQKRPLVHNITNYVVAQFVANGLLALGVSPLMSDAIAEMPDLAKISDALAINIGTLNERTILCAKEAIKRYKALNKPIVLDPVGCSASALRYDTSLELLESKGISTLRGNAAELGSLVGISCESKGLDSKHSATP-IEIVKRAAQKYSVIAVMTGKTDYVSDGKKVLSITGGSEYLAAITGAGCLHAAACASFLSLKKDPLDSMVQLCAFYKQAAFSAQKKALENNGSNGSFLFYFLDALSLPIELENSLIKEEL
1EKQ Chain:A ((10-257))
-LTAVRRHSPLVHSITNNVVTNFTANGLLALGASPVMAYAKEEVADMAKIAGALVLNIGTLSKESVEAMIIAGKSANEHGVPVILDPVGAGATPFRTESARDIIREVRLAAIRGNAAEIAHTVG--------------GDIIRLAQQAAQKLNTVIAITGEVDVIADTSHVYTLHNGHKLLTKVTGAG-LLTSVVGAFCAVEENPLFAAIAAISSYGVAAQLAAQQTADK--GPGSFQIELLNKLSTVTEQDVQEWATIE
General information:
TITO was launched using:
RESULT:
Template:
1EKQ.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -158842 for 2085 contacts (-76.2/contact) +
2D Compatibility (PS) -24982 + (NN) -10812 + (LL) 508
1D Compatibility (HY) -13600 + (ID) 4250
Total energy: -211978.0 ( -101.67 by residue)
QMean score : 0.458
(partial model without unconserved sides chains):
PDB file :
Tito_1EKQ.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1EKQ-query.scw
PDB file :
Tito_Scwrl_1EKQ.pdb
: