Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSQIAQPITIRNTTFKNRIIKGAMSEALANYEGQPNELHLGLYSAWAKGGLGCAITGNVMVNVEAKNEPGVVVIETERDLERLKEWAAVGKQYGMVQLIQLSHPGRQCP-----KGLNK---------ETVAPSAVPFSPALATMFGNPRALTHEEILDIIKRFANAARICERAGFEGVQLHGAHGYLISQFLSPLTNKRTDQWGGSIENRTRFLLEVYKAVREATSDNFIISVKLNSADFQ-RGGISEEDVISVFKAVDEAGIDLIEISGGTYEAPAMAGAKADKRKASTIAREAYFLDFAEKIRQHVKCKLMVTGGFRTVEGMNAALASGACDFIGIARPLAVETDLTDRLIAGQDVRYAVKPIKTGLPFVDKMAIMEIIWYAAQFKAIGQGKKPNPKLSPLIVFLNYAKGNIKAVVQGRVNSRKSA 3L5M Chain:A ((2-326)) -SALFEPYTLKDVTLRNRIAIPPMCQYMAE-DGMINDWHHVHLAGLARGGAGLLVVEATAVAPEGRITPGCAGIWSDAHAQAFVPVVQAIKAAGSVPGIQIAHAGRKASANRPWEGDDHIAADDTRGWETIAPSAIAFGAHLPKV---PREMTLDDIARVKQDFVDAARRARDAGFEWIELHFAHGYLGQSFFSEHSNKRTDAYGGSFDNRSRFLLETLAAVREVWPENLPLTARFGVLEYDGRDEQTLEESIELARRFKAGGLDLLSVSVG-FTIP----------DTNIPWGPAFMGPIAERVRREAKLPVTSAWGFGTPQLAEAALQANQLDLVSVGR----------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3L5M.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 : 1813 -20975 -11.57 -67.66 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain A : 0.72 3D Compatibility (PKB) : -11.57 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.72 QMean score : 0.577

(partial model without unconserved sides chains): PDB file : Tito_3L5M.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3L5M-query.scw PDB file : Tito_Scwrl_3L5M.pdb: