Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNKVVVKNVTFGEGAPKICVPMVGKTVAALKEEAEMLQTIDLDVVEWRVDFFEDVKDLAKVEAALGEIRAILPETPILFTFRSAKEGGELAVSDEFYFELNETLAGTGKIDLVDVELFNEEADVLRLIETAHKNNVKVVMSNHDFDKTPAKEEIVSRLTRMEALGADLPKIAVMPKSAGDVLTLLDATNTVFEK-ANQPIITMSMAGTGVISRLAGEVFGSAMTFGAAKKASAPGQIDVNELRHVLDLLHKQF
4GUH Chain:B ((25-275))
MKTVTVRDLVVGEGAPKIIVSLMGKTITDVKSEALAYREADFDILEWRVDHFANVTTAESVLEAAGAIREIITDKPLLFTFRSAKAGGEQALTTGQYIDLNRAAVDSGLVDMIDLELFTGDDEVKATVGYAHQHNVAVIMSNHDFHKTPAAEEIVQRLRKMQELGADIPKIAVMPQTKADVLTLLTATVEMQERYADRPIITMSMSKTGVISRLAGEVFGSAATFGAVKKASAPGQISVADLRTVLTILHQ--
General information:
TITO was launched using:
RESULT:
Template:
4GUH.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -130835 for 2177 contacts (-60.1/contact) +
2D Compatibility (PS) -27500 + (NN) -12098 + (LL) 252
1D Compatibility (HY) -25200 + (ID) 7000
Total energy: -202381.0 ( -92.96 by residue)
QMean score : 0.557
(partial model without unconserved sides chains):
PDB file :
Tito_4GUH.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4GUH-query.scw
PDB file :
Tito_Scwrl_4GUH.pdb
: