Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ----------------------MSTDPQFPTPNNLGIAVYSNNAETIGNTPLVRINRLIKT---GATVLAKVESRNPAFSVKCRIGAALIADAEKRGVLKEGMHIVEPTSGNTGIALAFVAVAKGYSITLTMPASMSLERRKVLKALGANLVLTEPAKGM---KGAVDEAVRLATEQPEIYFLPQQFENPANPQIHVDTTGPEIWQATGGQVDILVAGVGTGGTITGISRYFEQVQNKPLYSVAVEPAESPIITQTKNGENITPAPHKIQGIGANFIPKNLDLDLVDEVIPVSSEEAIQWARNCAAQEGILVGISSGAALAAAAKIAERPENAGKTIVVILPDSGERYLSSVLFEGLFDE---------------------------------------------------------------------------------------------------------------------------------------------------- 3PC3 Chain:A ((12-515)) YERPADFIDPGKPSKCKWHLGTAEKSPHIHRGIAHRQQITPNILEVIGCTPLVKLNNIPASDGIECEMYAKCEFLNPGGSVKDRIGYRMVQDAEEQGLLKPGYTIIEPTSGNTGIGLAMACAVKGYKCIIVMPEKMSNEKVSALRTLGAKIIRTPTEAAYDSPEGLIYVAQQLQRETPNSIVLDQ-YRNAGNPLAHYDGTAAEILWQLDNKVDMIVVSAGTAGTISGIGRKIKEQ-VPSCQIVGVDPYGSILARPAELNKT-DVQFYEVEGIGYDFPPTVFDDTVVDVWTKIGDSDCFPMSRRLNAEEGLLCGGSSGGAMHAALEHA-RKLKKGQRCVVILPDGIRNYMTKFVSDNWMEARNFKEPVNEHGHWWWSLAIAELELPAPPVILKSDATVGEAIALMKKHRVDQLPVVDQDDGSVLGVVGQETLITQIVSMNRQQSDPAIKALNKRVIRLNESEILGKLARVLEVDPSVLILGKNPAGKVELKALATKLDVTTFIAAGKQK

General information: TITO was launched using: RESULT: Template: 3PC3.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 : 1935 45689 23.61 139.30 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain A : 0.69 3D Compatibility (PKB) : 23.61 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.527

(partial model without unconserved sides chains): PDB file : Tito_3PC3.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3PC3-query.scw PDB file : Tito_Scwrl_3PC3.pdb: