Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKIVVPVMPRSLEEAQEIDLSKFDS-VDIIEWRADALPK----DDIINVAPAIFEKFAGHEIIFTLRTTREGGNIVLSDAEYVELIQKINSIYNPDYIDFEYFSHKEVFQEMLEFPN-----LVLSYHNFQETP--ENIMEIFSELTALAPRVVKIAVMPKNEQDVLDVMNYTRGFKTINPDQVYATVSMSKIGRISRFAGDVTGSSWTFAYLDSSIAPGQITISEMKRVKALLDAD
3OEX Chain:A ((20-252))
-KIIVSLMGKTITDVKSEALAYREADFDILEWRVDHFANVTTAESVLEAAGAIREIITDKPLLFTFRSAKEGGEQALTTGQYIDLNRAAVDSGLVDMIDLELFTGDDEVKATVGYAHQHNVAVIMSNHDFHKTPAAEEIVQRLRKMQELGADIPKIAVMPQTKADVLTLLTATVEMQERYADRPIITMSMSKTGVISRLAGEVFGSAATFGAVKKASAPGQISVADLRTVLTILHQA
General information:
TITO was launched using:
RESULT:
Template:
3OEX.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -120586 for 1835 contacts (-65.7/contact) +
2D Compatibility (PS) -24286 + (NN) -12313 + (LL) 208
1D Compatibility (HY) -16800 + (ID) 3550
Total energy: -177327.0 ( -96.64 by residue)
QMean score : 0.500
(partial model without unconserved sides chains):
PDB file :
Tito_3OEX.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3OEX-query.scw
PDB file :
Tito_Scwrl_3OEX.pdb
: