Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNKVVVKNVTFGEGAPKICVPMVGKTVAALKEEAEMLQTIDLDVVEWRVDFFEDVKDLAKVEAALGEIRAILPETPILFTFRSAKEGGELAVSDEFYFELNETLAGTGKIDLVDVELFNEEADVLRLIETAHKNNVKVVMSNHDFDKTPAKEEIVSRLTRMEALGADLPKIAVMPKSAGDVLTLLDATNTVFEK-ANQPIITMSMAGTGVISRLAGEVFGSAMTFGAAKKASAPGQIDVNELRHVLDLLHKQF
3S42 Chain:B ((25-275))
MKTVTVRDLVVGEGAPKIIVSLMGKTITDVKSEALAYREADFDILEWRVDHFANVTTAESVLEAAGAIREIITDKPLLFTFRSAKEGGEQALTTGQYIDLNRAAVDSGLVDMIDLELFTGDDEVKATVGYAHQHNVAVIMSNHDFHKTPAAEEIVQRLRKMQELGADIPKIAVMPQTKADVLTLLTATVEMQERYADRPIITMSMSKTGVISRLAGEVFGSAATFGAVKKASAPGQISVADLRTVLTILHQ--
General information:
TITO was launched using:
RESULT:
Template:
3S42.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -139969 for 2195 contacts (-63.8/contact) +
2D Compatibility (PS) -27229 + (NN) -10972 + (LL) 252
1D Compatibility (HY) -25200 + (ID) 7050
Total energy: -210168.0 ( -95.75 by residue)
QMean score : 0.549
(partial model without unconserved sides chains):
PDB file :
Tito_3S42.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3S42-query.scw
PDB file :
Tito_Scwrl_3S42.pdb
: