Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLNQLKNNYFFAVIRGKSSEDALEIAKHAILGGIRNIEVTFSTPEASKVIKQLSDDFKNNKKIIVGAGTVMTTQLAKDAIDAGAKFLVSPHFDSDIANLANENKVYYFPGCATATEIVVARKYKCQIIKLFPGGVVGPDFIKDIHGPIPDVDLMPSGGVSVSNVAEWRKAGAVAVGVGSALSSKVATEGYDSVTKIAKQFVSALD
1WA3 Chain:E ((3-200))
MEELFKKHKIVAVLRANSVEEAKEKALAVFEGGVHLIEITFTVPDADTVIKELS--FLKEKGAIIGAGTVTSVEQCRKAVESGAEFIVSPHLDEEISQFCKEKGVFYMPGVMTPTELVKAMKLGHTILKLFPGEVVGPQFVKAMKGPFPNVKFVPTGGVNLDNVCEWFKAGVLAVGVGSALVKGTP----DEVREKAKAFVEKIR
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) -172909 for 1722 contacts (-100.4/contact) +
2D Compatibility (PS) -21398 + (NN) -10675 + (LL) -76
1D Compatibility (HY) -18400 + (ID) 4650
Total energy: -228108.0 ( -132.47 by residue)
QMean score : 0.617
(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
: