Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKLKKDKRREAIRQQIDSNPFITDHELSDLFQVSIQTIRLDRTYLNIPELRKRIKLVAEKNYDQISSIEEQEFIGDLIQVNPNVKAQSILDITSDSVFHKTGIARGHVLFAQANSLCVALIKQP--TVLTHESSIQFIEKVKLNDTVRAEARVVNQTAKHYYVEVKSYV----KHTLVFKGNFKMFYDKRG
3E1E Chain:A ((6-141))
------GYAQKVRDSFARQ------PVMATLGARIDTLLPGRVELCMPYDRALTQ--------------------------------------QHGFLHAGIVST---VLDSACGYAAFSLMEEEAAVLTVEFKVNFLNPAE-GERFAFRAEVVKPGRTLTVATATAYAFRDGEERAIATMTATLMALIG-
General information:
TITO was launched using:
RESULT:
Template:
3E1E.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -73484 for 1017 contacts (-72.3/contact) +
2D Compatibility (PS) -13853 + (NN) 2471 + (LL) 3836
1D Compatibility (HY) -4000 + (ID) 900
Total energy: -85930.0 ( -84.49 by residue)
QMean score : 0.467
(partial model without unconserved sides chains):
PDB file :
Tito_3E1E.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3E1E-query.scw
PDB file :
Tito_Scwrl_3E1E.pdb
: