Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKTVTVKDLVIGTGAPKIIVSLMAKDIASVKSEALAYREADFDILEWRVDHYADLSNVESVMAAAKILRETMPEKPLLFTFRSAKEGGEQAISTEAYIALNRAAIDSGLVDMIDLELFTGDDQVKETVAYAHAHDVKVVMSNHDFHKTPEAEEIIARLRKMQSFDADIPKIALMPQSTSDVLTLLAATLEMQEQYADRPIITMSMAKTGVISRLAGEVFGSAATFGAVKKASAPGQISVNDLRTVLTILHQA
4GUJ Chain:A ((5-255))
-KTVTVRDLVVGEGAPKIIVSLMGKTITDVKSEALAYREADFDILEWRVDHFANVTTAESVLEAAGAIREIITDKPLLFTFRSAKEGGEQALTTGQYIDLNRAAVDSGLVDMIDLELFTGDDEVKATVGYAHQHNVAVIMSNHDFHKTPAAEEIVQRLRKMQELGADIPKIAVMPQTKADVLTLLTATVEMQERYADRPIITMSMSKTGVISRLAGEVFGSAATFGAVKKASAPGQISVADLRTVLTILHQA
General information:
TITO was launched using:
RESULT:
Template:
4GUJ.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -146937 for 2186 contacts (-67.2/contact) +
2D Compatibility (PS) -27147 + (NN) -8710 + (LL) 208
1D Compatibility (HY) -32400 + (ID) 10050
Total energy: -225036.0 ( -102.94 by residue)
QMean score : 0.630
(partial model without unconserved sides chains):
PDB file :
Tito_4GUJ.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4GUJ-query.scw
PDB file :
Tito_Scwrl_4GUJ.pdb
: