Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MYIADSARYEKMEYRKSGHSGLKLPILSLGLWQNFGDYDPIHNQREILRGAFDMGITHFDLANNYGGPAGAAEKNFGRIFREDFQAYRDELIISSKAGYHMWEGPYGEWGSRKSIISSCDQSLQRMGLDYVDIFYHHRPDPDTPLEETAEALMQLVRQGKALYIGISNYNGEDTKKMTEILKRKEAPFIIHQMRYNMFSRALLEDDLSPVLEEEGLGAITFSPLAQGLLTNRYLHGIPEDSRAHRKEIPFLSEEQVGSTLEKIKALQTIAVSRGQSLAQMALAWNLRQKSVTSVLVGASRLSQLQESVRMMDNLDFSPEEELRIDQILE 4AUB Chain:G ((23-352)) -WLANPERYGQMQYRYCGKSGLRLPALSLGLWHNFGHVNALESQRAILRKAFDLGITHFDLANNYGPPPGSAEENFGRLLREDFAAYRDELIISTKAGYDMWPGPYGSGGSRKYLLASLDQSLKRMGLEYVDIFYSHRVDENTPMEETASALAHAVQSGKALYVGISSYSPERTQKMVELLREWKIPLLIHQPSYNLLNRWVDKSGLLDTLQNNGVGCIAFTPLAQGLLTGKYLNGIPQDSRMHR----LTPKMLTEA---SLRLLNEMAQQRGQSMAQMALSWLLKDDRVTSVLIGASRAEQLEENVQALNNLTFSTKELAQIDQHI-

General information: TITO was launched using: RESULT: Template: 4AUB.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain G - contact count / total energy / energy per contact / energy per residue : 1793 -171901 -95.87 -537.19 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain G : 0.89 3D Compatibility (PKB) : -95.87 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.89 QMean score : 0.610

(partial model without unconserved sides chains): PDB file : Tito_4AUB.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4AUB-query.scw PDB file : Tito_Scwrl_4AUB.pdb: