Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -----------------------------------------------------------MDKTSLIGIILAFVAL------SVGMVLKGVSFSALANPAAILIIIAGTISAVVIAFPTKEIKKVPTLFRVLFKENKQLTIEELIPMFSEWA------QLARREGLLALEASIEDVDDAFLKNGLSMAVDGQSAEFIRDIMTEE-VEAMEDRHQAGAAIFTQAGTYAPTLGV---------LGAVIGLIA-ALSHMDNT-DELGHAISAAFVATL-LGIFTGYVL------WHPFANKL-KRKSKQEVKLREVMIEGVLSVLEGQAPKVIEQ-----KLLM--------------YLPAKDRLKFAEQGEAQNGEKKEEEA-------------------------- 4KK0 Chain:A ((2-431)) PLQSLVKALWNVLHEPDLTELIAEVESYQQRYPKQNPTNSQKIRHILDEIYEKTPFNNTRRRILWLAVLKTVIPLLILDRQAVGEWWDQIFFPFLNSPTQLKPVFSDLKSILFYILIFHDEDEWGGDLR---RECAEETITRLVDLYVSKAIENLESQEQRNQTIECLVNVLVHYGIQRPKELSSCFCHHFLNPPTRIPILSVMVEVIR-RQGPRLYEIPQTGFYDLVLKCAEFDTSPILLSYALSFILMILSHICNSLDDSLYRLFCIYLRFSMIDPTSGFPSSTASGNWEVF-HDFMSTGSSQPDYLESLDYSQLFSILYALYPINFLEFLRDPKLYASKHNFQIRYSFNQELLSTKSDGLLGRHLAHSNFLKYTAETELTDKSRWTRLDSIAVVALCNSLNAV

General information: TITO was launched using: RESULT: Template: 4KK0.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 : 976 -151791 -155.52 -572.80 target 2D structure prediction score : 0.44 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : -155.52 2D Compatibility (Sec. Struct. Predict.) : 0.44 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.370

(partial model without unconserved sides chains): PDB file : Tito_4KK0.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4KK0-query.scw PDB file : Tito_Scwrl_4KK0.pdb: