Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNKVVVKNVTFGEGAPKICVPMVGKTVAALKEEAEMLQTIDLDVVEWRVDFFEDVKDLAKVEAALGEIRAILPETPILFTFRSAKEGGELAVSDEFYFELNETLAGTGKIDLVDVELFNEEADVLRLIETAHKNNVKVVMSNHDFDKTPAKEEIVSRLTRMEALGADLPKIAVMPKSAGDVLTLLDATNTVFEK-ANQPIITMSMAGTGVISRLAGEVFGSAMTFGAAKKASAPGQIDVNELRHVLDLLHKQF
4GUH Chain:A ((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) -137470 for 2161 contacts (-63.6/contact) +
2D Compatibility (PS) -27534 + (NN) -11757 + (LL) 252
1D Compatibility (HY) -25200 + (ID) 7000
Total energy: -208709.0 ( -96.58 by residue)
QMean score : 0.561
(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
: