Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLQNLDSLYQSLSKTEERLEEIIQQEIKLKDYQVEVDSAMSRMNKSYQNLYSERSSSSREIFSDITGIEATIQPNRD----FNNYVKELRACINKEDTFDSE-FGSLIDKLTKNSITNQDIYNDILDIRVSGESSIFSDKKLINSIRKLNDAQVLELQTLKPNDLVVIRLELNGKKVSLSNASAGQKTSAILSMILAYGNSPLILDQPEDDLDSQLINNLIVRSII---TKKENRQILIV-THNANIPVNGDSEWLISMGDSKEISADQCGSVDEPNIKPRICTVMEGGEDAFTNRAKRYGFKQIVE 5MG8 Chain:B ((23-286)) --SQIEKRANESNNLQREIADLSEQIVELESKRNDLHSALLEMGGNLTSLLTKKDSIANKISDQSEHLKVLEDVQRDKVSAFGKNMPQLLKLITRETRFQHPPKGPMGKYMTVKEQKWHLIIERILGNVING-----------FIVRSHHDQLILKELMRQSNCHATVVVG-KYDPFDYSSGEPDSQYPTVLKIIKF----------DDDEVLHTLINHLGIEKMLLIEDRREAEAYMKRGIANVTQCYALDPR---NRGYGFRIVSTQRSS-GISKVTPW-------------NRPPRIGFSSS--

General information: TITO was launched using: RESULT: Template: 5MG8.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 : 894 69587 77.84 272.89 target 2D structure prediction score : 0.49 Monomeric hydrophicity matching model chain B : 0.66 3D Compatibility (PKB) : 77.84 2D Compatibility (Sec. Struct. Predict.) : 0.49 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.229

(partial model without unconserved sides chains): PDB file : Tito_5MG8.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5MG8-query.scw PDB file : Tito_Scwrl_5MG8.pdb: