Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTKLITTVKEMQHIVKAAKRSGTTIGFIPTMGALHDGHLTMVRESVSTNDITVVSVFVNPLQFGPNEDFDAYPRQIDKDLELVSEVGADIVFHPAVEDIYPGELGIDVKVGPLADVLEGAKRPGHFDGVVTVVNKLFNIVMPDYAYFGKKDAQQLAIVEQMVKDFNHAVEIIGIDIVREADGLAKSSRNVYLTEQERQEAVHLSKSLLLAQALYQDGERQSKVIIDRVTEYLESHISGRIEEVAVYSYPQLVEQHEITGRIFISLAVKFSKARLIDNIIIGAE
3AG5 Chain:A ((1-283))
MTKLITTVKEMQHIVKAAKRSGTTIGFIPTMGALHDGHLTMVRESVSTNDITIVSVFVNPLQFG-----DAYPRQIDKDLELVSEVGADIVFHPAVEDMYPGELGIDVKVGPLADVLEGAKRPGHFDGVVTVVNKLFNIVMPDYAYFGKKDAQQLAIVEQMVKDFNHAVEIIGIDIVREADGLAKSSRNVYLTEQERQEAVHLSKSLLLAQALYQDGERQSKVIIDRVTEYLESHISERIEEVAVYSYPQLVEQHEITGRIFISLAVKFSKARLIDNIIIGAE
General information:
TITO was launched using:
RESULT:
Template:
3AG5.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -196117 for 2175 contacts (-90.2/contact) +
2D Compatibility (PS) -30255 + (NN) -14163 + (LL) -60
1D Compatibility (HY) -42000 + (ID) 13750
Total energy: -296345.0 ( -136.25 by residue)
QMean score : 0.556
(partial model without unconserved sides chains):
PDB file :
Tito_3AG5.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3AG5-query.scw
PDB file :
Tito_Scwrl_3AG5.pdb
: