Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNYDHILIRFGEISTKGKNRKSFIERLKQNIRLVLKDYPNLKYFSNRDRMTITLNGEDPEALFPHLKQVFGIQSFSLAIKCDSRLDDIKATALKAIKDQYKPGDTFKVATKRAYKQFELDTNQMNAEIGGHILRNTEGLTVDVRNPDIPLRIEIREEATFLTIRDEKGAGGLPVGSAGKAMLMLSGGFDSPVAGFYAMKR-----GLSVEAVHFFSPPYTS-ERAKQKVMDLAKCLSRFGGSMTLHIVPFTKTQELIQKQIPENYTMTATRRLMLQIADRIREKRNGLAIITGESLGQVASQTLES---------MYAINA---VTSTPILRPLIAMDKTEIIEKSREIGTYETSIQPFEDCCTIFTPPSPKTRPKKEKIEHFESFVDFEPYIQEAVDNIETMTLYSEQEANDKFAELF 1NI5 Chain:A ((11-175)) -------------------------------------------------------------------------------------------------------------------------------------------------------------------------------TSRQILVAFSGGLDSTVLLHQLVQWRTENPGVALRAIHVHHGLSANADAWVTHCENVCQQW-----QVPLVVERVQLAQ-------EGLGIEAQARQARYQAFARTLL--PGEVLVTAQHLDDQCETFLLALKRGSGPAGLSAMAEVSEFAGTRLIRPLLARTRGELVQWARQYDLRWI-----------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 1NI5.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 : 581 -16018 -27.57 -108.97 target 2D structure prediction score : 0.70 Monomeric hydrophicity matching model chain A : 0.61 3D Compatibility (PKB) : -27.57 2D Compatibility (Sec. Struct. Predict.) : 0.70 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.545

(partial model without unconserved sides chains): PDB file : Tito_1NI5.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1NI5-query.scw PDB file : Tito_Scwrl_1NI5.pdb: