Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------MEAGKVLQEVKALCADKKYEEA--KSLIEKNKENLEEKYPIAQEFIELKQGTILHRFKHFFGITE------------------------------------------------------------------------------------------------------------------------------------------------------------ 5K8P Chain:A ((5-425)) NDVAKVMKTLDGMREGLIQTAVELGSIEAPTGREGAAGDYVYEWMARNGFGPERVGVFDDRFNVVGRLRGTGGGASLSFNSHLDTIMAREDTARFADANDRIYHEAWHEEGRIYGYSVVNCKGPMACWLIAAKALKEAGAALKGDVVLTAVCGEIDCEPVDEFQGHDYLAEDIGARYAISHGAISDYALVAEATNFKPAWVEAGKVFLKVTVFAGPSRYTPYVPRPVAALDSPNAIVRMAKLVEALEEWADNYEKRYTREYGGGTVVPKVAIGAIRGGVPYKIYAFPELCSIYMDIRLNPDTNPLVVQREVEAVVSKLGLKAEVKPFLFRRGYEAQGIEPLQNALEVAHREVVGRPTERPGSPECSMWRDTNPYNELGIPSLTYGCGGGAGGGNTYFLVDDMLKAAKVYAMTAMDLCNRTP

General information: TITO was launched using: RESULT: Template: 5K8P.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 : 99 8501 85.86 134.93 target 2D structure prediction score : 0.41 Monomeric hydrophicity matching model chain A : 0.52 3D Compatibility (PKB) : 85.86 2D Compatibility (Sec. Struct. Predict.) : 0.41 1D Compatibility (Hydrophobicity) : 0.52 QMean score : 0.315

(partial model without unconserved sides chains): PDB file : Tito_5K8P.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5K8P-query.scw PDB file : Tito_Scwrl_5K8P.pdb: