Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
LKLVLMGLPGAGKGTQAEQIVEKYNIPHISTGDMFRAAMKNNTELGRKAKSFMDNGDLVPDEVTNGIVRERLSEDDAKDGFLLDGFPRTVEQAQELENILSDLGTELDAVINIDVEKDVLMKRLTGRWICRTCGKTYHEIYNPPKVPGKCDLDGGELYQRDDDKKETVEKRLNVNMKQTKPLLDFYSEKGKLHNINGEQEIKDVFVDVEKILASF
2AK3 Chain:A ((7-199))
LRAAIMGAPGSGKGTVSSRITKHFELKHLSSGDLLRDNMLRGTEIGVLAKTFIDQGKLIPDDVMTRLVLHEL-KNLTQYNWLLDGFPRTLPQAEAL-----DRAYQIDTVINLNVPFEVIKQRLTARWIHPGSGRVYNIEFNPPKTMGIDDLTGEPLVQREDDRPETVVKRLKAYEAQTEPVLEYYRKKGVLETFSGTE----------------
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) -45328 for 1352 contacts (-33.5/contact) +
2D Compatibility (PS) -21296 + (NN) -14863 + (LL) 2072
1D Compatibility (HY) -14000 + (ID) 4200
Total energy: -97615.0 ( -72.20 by residue)
QMean score : 0.607
(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
: