Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -------MALTAGIVGLPNVGKSTLFNAITQAGAESANYPFCTIDPNVGIVEVPDDRLQKLTELVNPKKTVPTAFEFTDIAGIVKGASKGEGLGNKFLSHIRQVDAICHVVRAFSDDNITHVSGKVDPIDDIETINLELILADMETVEKRITRVSKLAKQ-KDKDAVFEFEILSKLKEAFESEKPARSVEFTEEQQKLVKQLHLLTSKPILYVANVSEDEVADPSGNENVAKIREYAAGENAEVIVVC-AKIESEIAELEGEEKQMFLEELGIQESGLDQLIKASYSLLGLATYFTAGEQEVRAWTFKKGMKAPECAGIIHSDFERGFIRAETVAYEDLLAGGGMAGAKEAGKVRLEGKEYVVQDGDVIHFRFNV 5EE0 Chain:A ((16-387)) PILGRFSSHLKIGIVGLPNVGKSTFFNIVTKLSIPAENFPFCTIDPNEARVYVPDERFDWLCQLYKPKSEVSAYLEINDIAGL--------GLGNAFLSHIRAVDGIFHVLRAFEDKEVTHIDDSVDPVRDLETIGEELRLKDIEFVQNKIDDLEKSMKRSNDKQLKLEHELCEKVKAHLEDGKDVRFGDWKSADIEILNTFQLLTAKPVVYLVNMSEKDYQRKK-NKFLPKIHAWVQEHGGETIIPFSCAFERLLADMPPDEAAKYCAENQIA-SVIPKIIKTGFAAIHLIYFFTAGPDEVKCWQIRRQTKAPQAAGTIHTDFERGFICAEVMKFDDLKELGSESAVKAAGKYRQEGKTYVVQDGDIIFFKFN-

General information: TITO was launched using: RESULT: Template: 5EE0.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 : 1593 65681 41.23 185.02 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.82 3D Compatibility (PKB) : 41.23 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.82 QMean score : 0.539

(partial model without unconserved sides chains): PDB file : Tito_5EE0.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5EE0-query.scw PDB file : Tito_Scwrl_5EE0.pdb: