Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTIKVLFVDDHEMVRIGISSYLSTQSDIEVVGEGASGKEAIAKAHELKPDLILMDLLMEDMDGVEATTQIKKDLPQIKVLMLTSFIEDKEVYRALDAGVDSYILKTTSAKDIADAVRKTSRGESVFEPEVLVKMRNRMKKRAELYEMLTEREMEILLLIAKGYSNQEIASASHITIKTVKTHVSNILSKLEVQDRTQAVIYAFQHNLIQ
4LE1 Chain:A ((6-132))
--ISIFIAEDQQMLLGALGSLLNLEDDMEVVGKGTTGQDAVDFVKKRQPDVCIMDIEMPGKTGLEAAEELKDT--GCKIIILTTFARPGYFQRAIKAGVKGYLLKDSPSEELANAIRSVMNGKRIYAPELM------------------------------------------------------------------------------
General information:
TITO was launched using:
RESULT:
Template:
4LE1.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -74664 for 984 contacts (-75.9/contact) +
2D Compatibility (PS) -13986 + (NN) -5319 + (LL) 8360
1D Compatibility (HY) -12800 + (ID) 2000
Total energy: -100409.0 ( -102.04 by residue)
QMean score : 0.598
(partial model without unconserved sides chains):
PDB file :
Tito_4LE1.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4LE1-query.scw
PDB file :
Tito_Scwrl_4LE1.pdb
: