Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MASILLIGFMGAGKTTIGKGLAQCLQKEYVDLDTKIEEHIQLSIAEYFHYYGEKSFRKVESDILR-KLSNEDKIIATGGGIVQSAENRRFLKTQPIVLYLEAEADCLVDRIQQDETSIRPLALGKTR-EEIKALLAQRLSWYEESATHRINTTNQTPEKIIDTIIERIKSI 3BAF Chain:A ((6-166)) ----VLVGLPGSGKSTIGRRLAKALGVGLLDTDVAIEQRTGRSIADIFATDGEQEFRRIEEDVVRAALADHDGVLSLGGGAVTSPGVRAALAGH-TVVYLEISAAEGVRRTGGN--TVRPLLAGPDRAEKYRALMAKRAPLYRRVATMRVDTNRRNPGAVVRHILSRL---

General information: TITO was launched using: RESULT: Template: 3BAF.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 : 601 -11516 -19.16 -72.43 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain A : 0.81 3D Compatibility (PKB) : -19.16 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.81 QMean score : 0.683

(partial model without unconserved sides chains): PDB file : Tito_3BAF.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3BAF-query.scw PDB file : Tito_Scwrl_3BAF.pdb: