Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTIKVLFVDDHEMVRIGISSYLSTQSDIEVVGEGASGKEAIAKAHELKPDLILMDLLMEDMDGVEATTQIKKDLPQIKVLMLTSFIEDKEVYRALDAGVDSYILKTTSAKDIADAVRKTSRGESVFEPEVLVKMRNRMKKRAELYEMLTEREMEILLLIAKGYSNQEIASASHITIKTVKTHVSNILSKLEVQDRTQAVIYAFQHNLIQ
4LE2 Chain:C ((6-132))
--ISIFIAEDQQMLLGALGSLLNLEDDMEVVGKGTTGQDAVDFVKKRQPDVCIMDIEMPGKTGLEAAEELKDT--GCKIIILTTFARPGYFQRAIKAGVKGYLLKDSPSEELANAIRSVMNGKRIYAPELM------------------------------------------------------------------------------
General information:
TITO was launched using:
RESULT:
Template:
4LE2.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -68682 for 1045 contacts (-65.7/contact) +
2D Compatibility (PS) -13653 + (NN) -4473 + (LL) 8360
1D Compatibility (HY) -12800 + (ID) 2000
Total energy: -93248.0 ( -89.23 by residue)
QMean score : 0.615
(partial model without unconserved sides chains):
PDB file :
Tito_4LE2.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4LE2-query.scw
PDB file :
Tito_Scwrl_4LE2.pdb
: