Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKIGIFGGTFDPPHNGHLLMANEVLYQAGLDEIWFMPNQIPPHKQNEDYTDSFHRVEMLKLAIQSNPSFKLELVEMEREGPSYTFDTVSLLKQRY-PNDQLFFIIGADMIEYLPKWYKLDELLNLIQFIGVKRPGFH-VE------T---------------PYPLLFADVPEFEVSSTMIRERFKSKKPTDYLIPDKVKKYVEENGLYES 1YUM Chain:A ((23-231)) -KRIGLFGGTFDPVHIGHMRSAVEMAEQFALDELRLLPNARPPHRET-PQVSAAQRLAMVERAVAGVERLTVDPRELQRDKPSYTIDTLESVRAELAADDQLFMLIGWDAFCGLPTWHRWEALLDHCHIVVLQRPDADSEPPESLRDLLAARSVADPQALKGPGGQITFVWQTPLAVSATQIRALLGAGRSVRFLVPDAVLNYIEAHHLYR-

General information: TITO was launched using: RESULT: Template: 1YUM.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 : 842 -50303 -59.74 -270.44 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain A : 0.75 3D Compatibility (PKB) : -59.74 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.75 QMean score : 0.511

(partial model without unconserved sides chains): PDB file : Tito_1YUM.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1YUM-query.scw PDB file : Tito_Scwrl_1YUM.pdb: