Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSRLATRFEKLQSQQRKALVSYVMAGDPQPQVTVPLLHKMVAAGVDVIELGLPFSDPMADGPVIALAAERALAAGTNTLDALNMVKEFREQDQETPVVLMGYLNPVEVIGYEKFVSYAKQCGVDGLLLVDLPPEESKEFGAILKQHDMDQIFLLAPTSTDQRIQHVANQASGFIYYVSLKGVTGAATLDTSEAAARIEKIKGMTNVPVGVGFGISDAAS-AKAMGSVADAVIVGSAFVKSFATLAADEAVEQTVNKVKELRAALDELV 3PR2 Chain:A ((2-258)) --RYENLFAQLNDRREGAFVPFVTLGDPGIEQSLKIIDTLIDAGADALELGVPFSDPLADGPTIQNANLRAFAAGVTPAQCFEMLALIREKHPTIPIGLLMYANLVFNNGIDAFYARCEQVGVDSVLVADVPVEESAPFRQAALRHNIAPIFICPPNADDDLLRQVASYGRGYTYLLSRSGVTGAENRGALPLHHLIEKLKEYHAAPALQGFGISSPEQVSAAVRAGAAGAISGSAIVK---------IIEKNLASPKQMLAELRSFV

General information: TITO was launched using: RESULT: Template: 3PR2.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 : 1454 -172631 -118.73 -674.34 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain A : 0.77 3D Compatibility (PKB) : -118.73 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.77 QMean score : 0.604

(partial model without unconserved sides chains): PDB file : Tito_3PR2.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3PR2-query.scw PDB file : Tito_Scwrl_3PR2.pdb: