Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNKVVVKNVTFGEGAPKICVPMVGKTVAALKEEAEMLQTIDLDVVEWRVDFFEDVKDLAKVEAALGEIRAILPETPILFTFRSAKEGGELAVSDEFYFELNETLAGTGKIDLVDVELFNEEADVLRLIETAHKNNVKVVMSNHDFDKTPAKEEIVSRLTRMEALGADLPKIAVMPKSAGDVLTLLDATNTVFEK-ANQPIITMSMAGTGVISRLAGEVFGSAMTFGAAKKASAPGQIDVNELRHVLDLLHKQF
4GUG Chain:A ((25-275))
MKTVTVRDLVVGEGAPKIIVSLMGKTITDVKSEALAYREADFDILEWRVDHFANVTTAESVLEAAGAIREIITDKPLLFTFRSAKAGGEQALTTGQYIDLNRAAVDSGLVDMIDLELFTGDDEVKATVGYAHQHNVAVIMSNHDFHKTPAAEEIVQRLRKMQELGADIPKIAVMPQTKADVLTLLTATVEMQERYADRPIITMSMSKTGVISRLAGEVFGSAATFGAVK----PGQISVADLRTVLTILHQ--
General information:
TITO was launched using:
RESULT:
Template:
4GUG.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -139195 for 2085 contacts (-66.8/contact) +
2D Compatibility (PS) -27385 + (NN) -12699 + (LL) 576
1D Compatibility (HY) -25200 + (ID) 6800
Total energy: -210703.0 ( -101.06 by residue)
QMean score : 0.549
(partial model without unconserved sides chains):
PDB file :
Tito_4GUG.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4GUG-query.scw
PDB file :
Tito_Scwrl_4GUG.pdb
: