Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSQIAQPITIRNTTFKNRIIKGAMSEALANYEGQPNELHLGLYSAWAKGGLGCAITGNVMVNVEAKNEPGVVVIETERDLERLKEWAAVGKQYGMVQLIQLSHPGRQCP-----KGLNK---------ETVAPSAVPFSPALATMFGNPRALTHEEILDIIKRFANAARICERAGFEGVQLHGAHGYLISQFLSPLTNKRTDQWGGSIENRTRFLLEVYKAVREATSDNFIISVKLNSADFQ-RGGISEEDVISVFKAVDEAGIDLIEISGGTYEAPAMAGAKADKRKASTIAREAYFLDFAEKIRQHVKCKLMVTGGFRTVEGMNAALASGACDFIGIARPLAVETDLTDRLIAGQDVRYAVKPIKTGLPFVDKMAIMEIIWYAAQFKAIGQGKKPNPKLSPLIVFLNYAKGNIKAVVQGRVNSRKSA 3N14 Chain:A ((2-326)) -SALFEPYTLKDVTLRNRIAIPPMCQYMAE-DGMINDWHHVHLAGLARGGAGLLVVEATAVAPEGRITPGCAGIWSDAHAQAFVPVVQAIKAAGSVPGIQIAHAGRKASANRPWEGDDHIAADDTRGWETIAPSAIAFGAHLPKV---PREMTLDDIARVKQDFVDAARRARDAGFEWIELHFAHGYLGQSFFSEHSNKRTDAYGGSFDNRSRFLLETLAAVREVWPENLPLTARFGVLEYDGRDEQTLEESIELARRFKAGGLDLLSVSVG-FTIP----------DTNIPWGPAFMGPIAERVRREAKLPVTSAWGFGTPQLAEAALQANQLDLVSVGR----------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3N14.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 : 1807 -20642 -11.42 -66.59 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain A : 0.72 3D Compatibility (PKB) : -11.42 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.72 QMean score : 0.570

(partial model without unconserved sides chains): PDB file : Tito_3N14.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3N14-query.scw PDB file : Tito_Scwrl_3N14.pdb: