Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKIVVPVMPRSLEEAQEIDLSKFDS-VDIIEWRADALPK----DDIINVAPAIFEKFAGHEIIFTLRTTREGGNIVLSDAEYVELIQKINSIYNPDYIDFEYFSHKEVFQEMLEFPN-----LVLSYHNFQETP--ENIMEIFSELTALAPRVVKIAVMPKNEQDVLDVMNYTRGFKTINPDQVYATVSMSKIGRISRFAGDVTGSSWTFAYLDSSIAPGQITISEMKRVKALLDAD
4GUJ Chain:A ((20-252))
-KIIVSLMGKTITDVKSEALAYREADFDILEWRVDHFANVTTAESVLEAAGAIREIITDKPLLFTFRSAKEGGEQALTTGQYIDLNRAAVDSGLVDMIDLELFTGDDEVKATVGYAHQHNVAVIMSNHDFHKTPAAEEIVQRLRKMQELGADIPKIAVMPQTKADVLTLLTATVEMQERYADRPIITMSMSKTGVISRLAGEVFGSAATFGAVKKASAPGQISVADLRTVLTILHQA
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) -122595 for 1856 contacts (-66.1/contact) +
2D Compatibility (PS) -24372 + (NN) -12132 + (LL) 208
1D Compatibility (HY) -16800 + (ID) 3550
Total energy: -179241.0 ( -96.57 by residue)
QMean score : 0.510
(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
: