Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MALTAGIVGLPNVGKSTLFNAITQAGAESANYPFCTIDPNVGIVEVPDDRLQKLTELVNPKKTVPTAFEFTDIAGIVKGASKGEGLGNKFLSHIRQVDAICHVVRAFSDDNITHVSGKVDPIDDIETINLELILADMETVEKRITRVSK-LAKQKDKDAVFEFEILSKLKEAFESEKPARSVEFTEEQQKLVKQLHLLTSKPILYVANVSEDEVADPSGNENVAKIREYAAGENAEVIV--VCAKIESEIAELEGEEKQMFLEELGIQESGLDQLIKASYSLLGLATYFTAGEQEVRAWTFKKGMKAPECAGIIHSDFERGFIRAETVAYEDLLAGGGMAGAKEAGKVRLEGKEYVVQDGDVIHFRFNV 5EE3 Chain:B ((26-388)) --LKIGIVGLPNVGKSTFFNIVTKLSIPAENFPFCTIDPNEARVYVPDERFDWLCQLYKPKSEVSAYLEINDIAGLVR----GEGLGNAFLSHIRAVDGIFHVLRAFEDK------DSVDPVRDLETIGEELRLKDIEFVQNKIDDLEKSMKRSNDKQLKLEHELCEKVKAHLEDGKDVRFGDWKSADIEILNTFQLLTAKPVVYLVNMSEKDYQR-KKNKFLPKIHAWVQEHGGETIIPFSCA-FERLLADMPPDEAAKYCAENQIA-SVIPKIIKTGFAAIHLIYFFTAGPDEVKCWQIRRQTKAPQAAGTIHTDFERGFICAEVMKFDDLKELGSESAVKAAGKYRQEGKTYVVQDGDIIFFKFN-

General information: TITO was launched using: RESULT: Template: 5EE3.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 : 1637 -93471 -57.10 -267.06 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain B : 0.82 3D Compatibility (PKB) : -57.10 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.82 QMean score : 0.532

(partial model without unconserved sides chains): PDB file : Tito_5EE3.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5EE3-query.scw PDB file : Tito_Scwrl_5EE3.pdb: