Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNKVVVKNVTFGEGAPKICVPMVGKTVAALKEEAEMLQTIDLDVVEWRVDFFEDVKDLAKVEAALGEIRAILPETPILFTFRSAKEGGELAVSDEFYFELNETLAGTGKIDLVDVELFNEEADVLRLIETAHKNNVKVVMSNHDFDKTPAKEEIVSRLTRMEALGADLPKIAVMPKSAGDVLTLLDATNTVFEK-ANQPIITMSMAGTGVISRLAGEVFGSAMTFGAAKKASAPGQIDVNELRHVLDLLHKQF
3OEX Chain:C ((5-254))
-KTVTVRDLVVGEGAPKIIVSLMGKTITDVKSEALAYREADFDILEWRVDHFANVTTAESVLEAAGAIREIITDKPLLFTFRSAKEGGEQALTTGQYIDLNRAAVDSGLVDMIDLELFTGDDEVKATVGYAHQHNVAVIMSNHDFHKTPAAEEIVQRLRKMQELGADIPKIAVMPQTKADVLTLLTATVEMQERYADRPIITMSMSKTGVISRLAGEVFGSAATFGAVKKASAPGQISVADLRTVLTILHQ--
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) -137888 for 2144 contacts (-64.3/contact) +
2D Compatibility (PS) -27227 + (NN) -11399 + (LL) 460
1D Compatibility (HY) -24800 + (ID) 7000
Total energy: -207854.0 ( -96.95 by residue)
QMean score : 0.591
(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
: