Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRAFEKIPAFQQWQKVEAIHRGWSTDLKFKVTKNQETFLLRIFQQEELLAKQQEYQFIKKVAAL-GFPSSKPFLCAPIPESEQGYMLLTYLEGEDLSDVLPALSPKRQLNLGVEAGRYLNKIHKLLLPERIS--------------Q--REIAQNLYE-KKQSQLNKYKESQFCMPYQQPIISYLEKQLPLLQQRPVVYQHGDFHVGNFIYLPTRQVGVIDFNRWDFGDPYEEFYKLQFFSRNVSPLFAYGQLQGYFAG-KVPTLFWQFQKLYTFHAGLYSLVWALSFGEKEIRTMEQQYQQLLEDYNCGELLVPKWFSTIQRKGLRF 3JR1 Chain:A ((37-309)) -----------FIKHKEKLYSGEMNE-IWLINDEVQTVFVKINERSYRSMFRAEADQLALLAKTNSINVPLVYGIGNS--QGHSFLLLEALNKSKNK-----------QSSFTIFAEKIAQLHQIQGPDKYGLDFDTWLGPIYQPNDWQTSWAKFFSENRIGWQLQICKEKGLIFGNIDLIVQIVADTLSK-HNPKPSILHGNLWIENCIQVDD-KIFVCNP-ACYWGDRECDIAFSSLFE-----PFPTNFYQRYNEIYPLEEGYLERKLIYQLYYLLNFSYRYYNKKQSYVSLTQKLINQILHK----------------------

General information: TITO was launched using: RESULT: Template: 3JR1.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 : 1229 -1562 -1.27 -6.15 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : -1.27 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.355

(partial model without unconserved sides chains): PDB file : Tito_3JR1.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3jr1-query.scw PDB file : Tito_Scwrl_3JR1.pdb: