Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNKVVVKNVTFGEGAPKICVPMVGKTVAALKEEAEMLQTIDLDVVEWRVDFFEDVKDLAKVEAALGEIRAILPETPILFTFRSAKEGGELAVSDEFYFELNETLAGTGKIDLVDVELFNEEADVLRLIETAHKNNVKVVMSNHDFDKTPAKEEIVSRLTRMEALGADLPKIAVMPKSAGDVLTLLDATNTVFEK-ANQPIITMSMAGTGVISRLAGEVFGSAMTFGAAKKASAPGQIDVNELRHVLDLLHKQF
4GUI Chain:B ((5-254))
-KTVTVRDLVVGEGAPKIIVSLMGKTITDVKSEALAYREADFDILEWRVDHFANVTTAESVLEAAGAIREIITDKPLLFTFRSAKEGGEQALTTGQYIDLNRAAVDSGLVDMIDLELFTGDDEVKATVGYAHQHNVAVIMSNHDFHKTPAAEEIVQRLRKMQELGADIPKIAVMPQTKADVLTLLTATVEMQERYADRPIITMSMSKTGVISRLAGEVFGSAATFGAVKKASAPGQISVADLRTVLTILHQ--
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) -130770 for 2127 contacts (-61.5/contact) +
2D Compatibility (PS) -27246 + (NN) -11620 + (LL) 460
1D Compatibility (HY) -24800 + (ID) 7000
Total energy: -200976.0 ( -94.49 by residue)
QMean score : 0.562
(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
: