Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKIVVPVMPRSLEEAQEIDLSKFDS-VDIIEWRADALPK----DDIINVAPAIFEKFAGHEIIFTLRTTREGGNIVLSDAEYVELIQKINSIYNPDYIDFEYFSHKEVFQEMLEFPN-----LVLSYHNFQETP--ENIMEIFSELTALAPRVVKIAVMPKNEQDVLDVMNYTRGFKTINPDQVYATVSMSKIGRISRFAGDVTGSSWTFAYLDSSIAPGQITISEMKRVKALLDAD
3NNT Chain:A ((41-273))
-KIIVSLMGKTITDVKSEALAYREADFDILEWRVDHFANVTTAESVLEAAGAIREIITDKPLLFTFRSAKEGGEQALTTGQYIDLNRAAVDSGLVDMIDLELFTGDDEVKATVGYAHQHNVAVIMSNHDFHKTPAAEEIVQRLRKMQELGADIPMIAVMPQTKADVLTLLTATVEMQERYADRPIITMSMSKTGVISRLAGEVFGSAATFGAVKKASAPGQISVADLRTVLTILHQ-
General information:
TITO was launched using:
RESULT:
Template:
3NNT.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -129062 for 1846 contacts (-69.9/contact) +
2D Compatibility (PS) -24575 + (NN) -13074 + (LL) 132
1D Compatibility (HY) -16800 + (ID) 3500
Total energy: -186879.0 ( -101.23 by residue)
QMean score : 0.503
(partial model without unconserved sides chains):
PDB file :
Tito_3NNT.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3NNT-query.scw
PDB file :
Tito_Scwrl_3NNT.pdb
: