Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKIVVPVMPRSLEEAQEIDLSKFDS-VDIIEWRADALPK----DDIINVAPAIFEKFAGHEIIFTLRTTREGGNIVLSDAEYVELIQKINSIYNPDYIDFEYFSHKEVFQEMLEFPN-----LVLSYHNFQETP--ENIMEIFSELTALAPRVVKIAVMPKNEQDVLDVMNYTRGFKTINPDQVYATVSMSKIGRISRFAGDVTGSSWTFAYLDSSIAPGQITISEMKRVKALLDAD
4GUI Chain:A ((20-252))
-KIIVSLMGKTITDVKSEALAYREADFDILEWRVDHFANVTTAESVLEAAGAIREIITDKPLLFTFRSAKEGGEQALTTGQYIDLNRAAVDSGLVDMIDLELFTGDDEVKATVGYAHQHNVAVIMSNHDFHKTPAAEEIVQRLRKMQELGADIPKIAVMPQTKADVLTLLTATVEMQERYADRPIITMSMSKTGVISRLAGEVFGSAATFGAVKKASAPGQISVADLRTVLTILHQA
General information:
TITO was launched using:
RESULT:
Template:
4GUI.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -124562 for 1852 contacts (-67.3/contact) +
2D Compatibility (PS) -24376 + (NN) -11729 + (LL) 208
1D Compatibility (HY) -16800 + (ID) 3550
Total energy: -180809.0 ( -97.63 by residue)
QMean score : 0.508
(partial model without unconserved sides chains):
PDB file :
Tito_4GUI.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4GUI-query.scw
PDB file :
Tito_Scwrl_4GUI.pdb
: