Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MYKADYKQIAATPSFQAFLKQKRAFIVPS--AIFFFVFYFSLPVLTSYFTFLNAPAIGAVSWAWLF-----------AIAQFAMTWILSTVYS-RRAAHFDKYVSALKEDLKGEQT 4KHB Chain:A ((7-122)) KRFESYKRDNQLP---PKVRDMGIVIDQKNNTIVLPIMGRPVPFHINTIKNASKSDEGEWSFLRINFLSPGQRKDDQPFEDASAHFVRSLTFRSTDGDRYAEIANQISNLKREAVK

General information: TITO was launched using: RESULT: Template: 4KHB.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 : 317 -25283 -79.76 -255.38 target 2D structure prediction score : 0.30 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : -79.76 2D Compatibility (Sec. Struct. Predict.) : 0.30 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.286

(partial model without unconserved sides chains): PDB file : Tito_4KHB.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4KHB-query.scw PDB file : Tito_Scwrl_4KHB.pdb: