Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKIGIFGGTFDPPHNGHLLMANEVLYQAGLDEIWFMPNQIPPHKQNEDYTDSFHRVEMLKLAIQSNPSFKLELVEMEREGPSYTFDTV-SLLKQRYPNDQLFFIIGADMIEYLPKWYKLDELLNLIQFIGVKRPGFHVETPYPL----------------------LFADVPEFEVSSTMIRERFKSKKPTDYLIPDKVKKYVEENGLYES 1YUM Chain:D ((23-232)) -KRIGLFGGTFDPVHIGHMRSAVEMAEQFALDELRLLPNARPPHRETPQVS-AAQRLAMVERAVAGVERLTVDPRELQRDKPSYTIDTLESVRAELAADDQLFMLIGWDAFCGLPTWHRWEALLDHCHIVVLQRPDADSEPPESLRDLLAARSVADPQALKGPGGQITFVWQTPLAVSATQIRALLGAGRSVRFLVPDAVLNYIEAHHLYRA

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 D - contact count / total energy / energy per contact / energy per residue : 861 -56568 -65.70 -302.50 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain D : 0.77 3D Compatibility (PKB) : -65.70 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.77 QMean score : 0.534

(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: