Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTIKVLFVDDHEMVRIGISSYLSTQSDIEVVGEGASGKEAIAKAHELKPDLILMDLLMEDMDGVEATTQIKKDLPQIKVLMLTSFIEDKEVYRALDAGVDSYILKTTSAKDIADAVRKTSRGESVFE----PEVLVKMRNRMKKRAELYEMLTEREMEILLLIAKGYSNQEIASASHITIKTVKTHVSNILSKLEVQDRTQAVIYAFQHNLIQ
3C3W Chain:A ((2-204))
--VKVFLVDDHEVVRRGLVDLLGADPELDVVGEAGSVAEAMARVPAARPDVAVLDVRLPDGNGIELCRDLLSRMPDLRCLILTSYTSDEAMLDAILAGASGYVVKDIKGMELARAVKDVGAGRSLLDNRAAAALMAKLRGAAEKQDPLSG-LTDQERTLLGLLSEGLTNKQIADRMFLAEKTVKNYVSRLLAKLGMERRTQAAVFA-------
General information:
TITO was launched using:
RESULT:
Template:
3C3W.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -87082 for 1548 contacts (-56.3/contact) +
2D Compatibility (PS) -20746 + (NN) -3801 + (LL) 1184
1D Compatibility (HY) -17600 + (ID) 3400
Total energy: -131445.0 ( -84.91 by residue)
QMean score : 0.420
(partial model without unconserved sides chains):
PDB file :
Tito_3C3W.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3C3W-query.scw
PDB file :
Tito_Scwrl_3C3W.pdb
: