Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKIGIFGGTFDPPHNGHLLMANEVLYQAGLDEIWFMPNQIPPHKQNEDYTDSFHRVEMLKLAIQSNPSFKLELVEMEREGPSYTFDTV-SLLKQRYPNDQLFFIIGADMIEYLPKWYKLDELLNLIQFIGVKRPGFHVETPYPL----------------------LFADVPEFEVSSTMIRERFKSKKPTDYLIPDKVKKYVEENGLYES 1YUN Chain:B ((23-231)) -KRIGLFGGTFDPVHIGHMRSAVEMAEQFALDELRLLPNARPPHRETPQVS-AAQRLAMVERAVAGVERLTVDPRELQRDKPSYTIDTLESVRAELAADDQLFMLIGWDAFCGLPTWHRWEALLDHCHIVVLQRPDADSEPPESLRDLLAARSVADPQALKGPGGQITFVWQTPLAVSATQIRALLGAGRSVRFLVPDAVLNYIEAHHLYR-

General information: TITO was launched using: RESULT: Template: 1YUN.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 857 -54034 -63.05 -290.51 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain B : 0.76 3D Compatibility (PKB) : -63.05 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.516

(partial model without unconserved sides chains): PDB file : Tito_1YUN.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1YUN-query.scw PDB file : Tito_Scwrl_1YUN.pdb: