Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MRVILLGAPGAGKGTQARFITEKFGIPQISTGDMLRAAVKAGSPLGQQVKGVMDSGGLVSDDIIIALIKERITEADCAKGFLFDGFPRTIPQAEALKDAGVTIDHVVEIAVDDEEIVSRIAGRRVHPASGRVYHTEHNPPKVAGKDDVTGEELIQREDDKEETVRHRLSVYHSQTKPLVDFYQKLSAAEGTPKYHSIAGVGSVEQITAKVLSALS
2AK3 Chain:A ((7-188))
LRAAIMGAPGSGKGTVSSRITKHFELKHLSSGDLLRDNMLRGTEIGVLAKTFIDQGKLIPDDVMTRLVLHELKNL-TQYNWLLDGFPRTLPQAEAL-DRAYQIDTVINLNVPFEVIKQRLTARWIHPGSGRVYNIEFNPPKTMGIDDLTGEPLVQREDDRPETVVKRLKAYEAQTEPVLEYYRK-------------------------------
General information:
TITO was launched using:
RESULT:
Template:
2AK3.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -72829 for 1244 contacts (-58.5/contact) +
2D Compatibility (PS) -19811 + (NN) -8478 + (LL) 2120
1D Compatibility (HY) -15200 + (ID) 4150
Total energy: -118348.0 ( -95.14 by residue)
QMean score : 0.574
(partial model without unconserved sides chains):
PDB file :
Tito_2AK3.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2AK3-query.scw
PDB file :
Tito_Scwrl_2AK3.pdb
: