Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTKLITTVKEMQHIVKAAKRSGTTIGFIPTMGALHDGHLTMVRESVST-NDITVVSVFVNPLQFGPNEDFDAYPRQIDKDLELVSEVGADIVFHPAVEDIYPGELGIDVKVGPLADVLEGAKRPGHFDGVVTVVNKLFNIVMPDYAYFGKKDAQQLAIVEQMVKDFNHAVEIIGIDIVREADGLAKSSRNVYLTEQERQEAVHLSKSLLLAQALYQDGERQSKVIIDRVTEYLESHISGRIEEVAVYSYPQLVEQHEITGRIFISLAVKFSKARLIDNIIIGAE
3IUE Chain:B ((19-207))
---------DVADVSRALRLTGRRVMLVPTMGALHEGHLALVRAAKRVPGSVVVVSIFVNPMQ----------PRTPDDDLAQLRAEGVEIAFTPTTAAMYPDGLRTTVQPGPLAAELEGGPRPTHFAGVLTVVLKLLQIVRPDRVFFGEKDYQQLVLIRQLVADFNLDVAVVGVPTVREADGLAMSSRNRYLDPAQR--------------------------------------------------------------------------------------
General information:
TITO was launched using:
RESULT:
Template:
3IUE.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -117281 for 1333 contacts (-88.0/contact) +
2D Compatibility (PS) -19475 + (NN) -10077 + (LL) 9224
1D Compatibility (HY) -15200 + (ID) 4300
Total energy: -157109.0 ( -117.86 by residue)
QMean score : 0.619
(partial model without unconserved sides chains):
PDB file :
Tito_3IUE.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3IUE-query.scw
PDB file :
Tito_Scwrl_3IUE.pdb
: