Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNIILMGLPGAGKGTQASEIVKKFPIPHISTGDMFRKAIKEETELGKEAKSYMDRGELVPDEVTVGIVKERISEDDAKKGFLLDGFPRTIEQAEALNNIMSELDRNIDAVINIEVPEEELMNRLTGRRICESCGTTYHLVFNPPKVEGICDIDGGKLYQREDDNPETVANRLSVNIKQSKPILDFYDQKGVLKNIDGSKDISDVTKDVIDILDHL
2AK3 Chain:B ((7-199))
LRAAIMGAPGSGKGTVSSRITKHFELKHLSSGDLLRDNMLRGTEIGVLAKTFIDQGKLIPDDVMTRLVLHEL-KNLTQYNWLLDGFPRTLPQAEALDRAY-----QIDTVINLNVPFEVIKQRLTARWIHPGSGRVYNIEFNPPKTMGIDDLTGEPLVQREDDRPETVVKRLKAYEAQTEPVLEYYRKKGVLETFSGTE----------------
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) -71410 for 1362 contacts (-52.4/contact) +
2D Compatibility (PS) -20731 + (NN) -9787 + (LL) 1348
1D Compatibility (HY) -14400 + (ID) 4350
Total energy: -119330.0 ( -87.61 by residue)
QMean score : 0.589
(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
: