Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKKRKGCFAAAGFMMIFVFVIASFLLVLLFFNRDLIKKLPIDTKTIVLERLTDYKPLVEEELESQGLSNYTSLILGMMYQESKGKGNDPMQSSESLGLKRNEITDPQLSVKQGIKQFTLMYKTGKEKGVDLDTIIQSYNMGAGYIDFVAEHGGTHTEELAKQYSEQQVKKNPDLYTCGGNAKNFRYPYCYGDYTYAEKVKEKTKTVEESLQVATLETMESKAHE 5DIR Chain:A ((21-177)) ---PDVDRFGRLPWLWITVLVFVLDQVSKAFFQAELSMYQQIVVIPDLFSWTLAYNTGAAFSFLADS-SGWQRWLFALIAIVVSASLVVWLK---------------RLKKGETWLAIALALVLGGALGNLYDRMVLGH-----VVDFILVHWQN--------------------------------RWYFPAFNLADSAITVGAVMLALDMF------------

General information: TITO was launched using: RESULT: Template: 5DIR.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 : 580 -50131 -86.43 -319.30 target 2D structure prediction score : 0.45 Monomeric hydrophicity matching model chain A : 0.62 3D Compatibility (PKB) : -86.43 2D Compatibility (Sec. Struct. Predict.) : 0.45 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.172

(partial model without unconserved sides chains): PDB file : Tito_5DIR.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5DIR-query.scw PDB file : Tito_Scwrl_5DIR.pdb: