Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MRDFEELFDKVKPIVMKLRRNYFVQLWEYDDWIQEGRIVLFRLLEEHPYLLDNESKLFIYFKTKFSNYLNDVLRHQDCQKRQFNKMPYEEISEVSHYVKSKGLVLDDYIAYRDTLTKVEETLSDIDKEKFEKLISGERFAGKKQFIRDIQPFFNAFKAD
2A6H Chain:F ((182-258))
-AARQHLIEANLRLVVSIAKKYTGRGLSFLDLIQEGNQGLIRAVEKFEY--KRRFKFSTYATWWIRQAINRAIADQARTIRIPVHMVETINKLSRTARQLQQELGREPTYEEIAEAMGPGWDAKRVEETLKIAQEPVSLETPIGDEKDSFYGDFIPDEH
General information:
TITO was launched using:
RESULT:
Template:
2A6H.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -40995 for 496 contacts (-82.7/contact) +
2D Compatibility (PS) -7951 + (NN) -2982 + (LL) 560
1D Compatibility (HY) -2400 + (ID) 800
Total energy: -54568.0 ( -110.02 by residue)
QMean score : 0.532
(partial model without unconserved sides chains):
PDB file :
Tito_2A6H.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2A6H-query.scw
PDB file :
Tito_Scwrl_2A6H.pdb
: