Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MASILLIGFMGAGKTTIGKGLAQCLQKEYVDLDTKIEEHIQLSIAEYFHYYGEKSFRKVESDILR-KLSNEDKIIATGGGIVQSAENRRFLKTQPIVLYLEAEADCLVDRIQQDETSIRPLALGKTR-EEIKALLAQRLSWYEESATHRINTTNQTPEKIIDTIIERIKSI 2IYT Chain:A ((6-167)) ----VLVGLPGSGKSTIGRRLAKALGVGLLDTDVAIEQRTGRSIADIFATDGEQEFRRIEEDVVRAALADHDGVLSLGGGAVTSPGVRAALAGHTVV-YLEISAAEGVRRTGGN--TVRPLLAGPDRAEKYRALMAKRAPLYRRVATMRVDTNRRNPGAVVRHILSRLQ--

General information: TITO was launched using: RESULT: Template: 2IYT.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 : 672 -4414 -6.57 -27.59 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain A : 0.81 3D Compatibility (PKB) : -6.57 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.81 QMean score : 0.679

(partial model without unconserved sides chains): PDB file : Tito_2IYT.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2IYT-query.scw PDB file : Tito_Scwrl_2IYT.pdb: