Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLNQLKNNYFFAVIRGKSSEDALEIAKHAILGGIRNIEVTFSTPEASKVIKQLSDDF-KNNKKIIVGAGTVMTTQLAKDAIDAGAKFLVSPHFDSDIANLANENKVYYFPGCATATEIVVARKYKCQIIKLFPGGVVGPDFIKDIHGPIPDVDLMPSGGVSVSNVAEWRKAGAVAVGVGSALSSKVATEGYDSVTKIAKQFVSALD
1WA3 Chain:A ((4-185))
-EELFKKHKIVAVLRANSVEEAKEKALAVFEGGVHLIEITFTVPDADTVIKELSFLKEK---GAIIGAGTVTSVEQCRKAVESGAEFIVSPHLDEEISQFCKEKGVFYMPGVMTPTELVKAMKLGHTILKLFPGEVVGPQFVKAMKGPFPNVKFVPTGGVNLDNVCEWFKAGVLAVGVGSALVKGTPDEVREKAKAFVEKIRGC--
General information:
TITO was launched using:
RESULT:
Template:
1WA3.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -141065 for 1546 contacts (-91.2/contact) +
2D Compatibility (PS) -19662 + (NN) -9856 + (LL) 308
1D Compatibility (HY) -16000 + (ID) 4250
Total energy: -190525.0 ( -123.24 by residue)
QMean score : 0.657
(partial model without unconserved sides chains):
PDB file :
Tito_1WA3.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1WA3-query.scw
PDB file :
Tito_Scwrl_1WA3.pdb
: