Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRQGLMAAVLFATFALTGCGTDSAGKSADQQLQVTATTSQIADAAENIGGKHVKVTSLMGPGVDPHLYKASQGDTKKLMSADVVLYSGLHLEGKMEDVLQKIGEQKQSAAVAEAIPKNKLIPAGEGKTFDPHVWFSIPLWIYAVDEIEAQFSKAMPQHADAFRKNAKEYKEDLQYLDKWSRKEIAHIPEKSRVLVTAHDAFAYFGNEYGFKVKGLQGLSTDSDYGLRDVQELVDLLTEKQIKAVFVESSVSEKSINAVVEGAKEKGHTVTIGGQLYSDA------MGEKGTKEGTYEGMFRHNINTITKALK 1TOA Chain:A ((37-312)) -----------------------------GKPLVVTTIGMIADAVKNIAQGDVHLKGLMGPGVDPHLYTATAGDVEWLGNADLILYNGLHLETKMGEVFSKLRGSRLVVAVSETIPVSQR-LSLEEAEFDPHVWFDVKLWSYSVKAVYESLCKLLPGKTREFTQRYQAYQQQLDKLDAYVRRKAQSLPAERRVLVTAHDAFGYFSRAYGFEVKGLQGVSTASEASAHDMQELAAFIAQRKLPAIFIESSIPHKNVEAL---RDAVQARGHV---VQIGGELFSDAMGDAGTSEGTYVGMVTHNIDTIVAALA

General information: TITO was launched using: RESULT: Template: 1TOA.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain A - contact count / total energy / energy per contact / energy per residue : 1425 -119308 -83.72 -441.88 target 2D structure prediction score : 0.73 Monomeric hydrophicity matching model chain A : 0.78 3D Compatibility (PKB) : -83.72 2D Compatibility (Sec. Struct. Predict.) : 0.73 1D Compatibility (Hydrophobicity) : 0.78 QMean score : 0.580

(partial model without unconserved sides chains): PDB file : Tito_1TOA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1TOA-query.scw PDB file : Tito_Scwrl_1TOA.pdb: