Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence --------------------------------------MGSHWVY------KLIVYSKLKNKLMLTYDKNEFSLPSY---QPELAHVAIVGHINAFVKEHFQLKTTVLRCCRQLENIRIYEVEILEEESVQFANHVWLT--LSQPSDLKKLNSDDQTILKS-WIDTQ----RSVGIPWFHVGWRNQMERWAANVLSNSSLTFAQIRSWERSALFRIISDTQNYYFKAVPDVFNHEPLLSDYL--------FQHYPLYVPEIVQVEPNKNWYIMREIQGSLLGQTGKIAYWRQAIEQLAVMQKQSTRHIDELKKRNCPVRPVAKVIKSYV----------KCSF-DDLYESH-----HISRETYQKLNTSIPTIINICDKIEKSNIPLALEHGDFFGG-----NIMVQNGQPVIYDWSD----------------CTLSHPFLSIMVILKEVEQFFSEEVAQSLLNDYLEKWSGFDSKPHLIEEYNWLKVIAPVYYLTIYQTFIFPAFNDNWDKQQIIEGYITEWLTMPML------------------------ 3UOX Chain:A ((6-545)) KSPALDAVVIGAGVTGIYQAFLINQAGMKVLGIEAGEDVGGTWYWNRYPGCRLDTESYAYGYFALKGIIPEWEWSENFASQPEMLRYVNRAADAMDVRKHYRFNTRVTAA-RYVENDRLWEVTLDNEEVVTCRFLISATGPLSAPDIKGIDSFKGESFHSSRWPTDAEGAPKGVDFTGKRVGVIG-TGATGVQIIPIAAETAKELYVFQRTPNWCTPLGNSPMSKEKMDSLRNRYPTILEYVKSTDTAFPYHRDPRKGTDVSESERDAFFEELYRQPG--------YGIWLSGFRDL-LLNKESNKFLADFVAKKIRQRVKDPVVAEKLIPKDHPFGAKRVPMETNYYETYNRDNVHLVDIREAPIQEVTPEGIKTADAAYDLDVIIYATGFDAVTGSLDRIDIRGKDNVRLIDAWAEGPSTYLGLQARGFPNFFTLVGPHNGSTFCNVGVCGGLQAEWVLRMISYMKDNGFTY-SEPTQAAENRWTEEVYADFSRTL-----LAEANAWWVKTTTKPDGSVVRRTLVHVSGGPEYRKRCEQVAYNNYNGFELA

General information: TITO was launched using: RESULT: Template: 3UOX.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 : 2162 -11608 -5.37 -28.04 target 2D structure prediction score : 0.40 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : -5.37 2D Compatibility (Sec. Struct. Predict.) : 0.40 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.080

(partial model without unconserved sides chains): PDB file : Tito_3UOX.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3uox-query.scw PDB file : Tito_Scwrl_3UOX.pdb: