Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKIVVPVMPRSLEEAQEIDLSKFDS-VDIIEWRADALPK----DDIINVAPAIFEKFAGHEIIFTLRTTREGGNIVLSDAEYVELIQKINSIYNPDYIDFEYFSHKEVFQEMLEFPN-----LVLSYHNFQETP--ENIMEIFSELTALAPRVVKIAVMPKNEQDVLDVMNYTRGFKTINPDQVYATVSMSKIGRISRFAGDVTGSSWTFAYLDSSIAPGQITISEMKRVKALLDAD
4GUG Chain:A ((41-273))
-KIIVSLMGKTITDVKSEALAYREADFDILEWRVDHFANVTTAESVLEAAGAIREIITDKPLLFTFRSAKAGGEQALTTGQYIDLNRAAVDSGLVDMIDLELFTGDDEVKATVGYAHQHNVAVIMSNHDFHKTPAAEEIVQRLRKMQELGADIPKIAVMPQTKADVLTLLTATVEMQERYADRPIITMSMSKTGVISRLAGEVFGSAATFGAVK----PGQISVADLRTVLTILHQ-
General information:
TITO was launched using:
RESULT:
Template:
4GUG.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -124030 for 1750 contacts (-70.9/contact) +
2D Compatibility (PS) -24234 + (NN) -12657 + (LL) 424
1D Compatibility (HY) -17200 + (ID) 3450
Total energy: -181147.0 ( -103.51 by residue)
QMean score : 0.493
(partial model without unconserved sides chains):
PDB file :
Tito_4GUG.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4GUG-query.scw
PDB file :
Tito_Scwrl_4GUG.pdb
: