Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MASILLIGFMGAGKTTIGKGLAQCLQKEYVDLDTKIEEHIQLSIAEYFHYYGEKSFRKVESDILR-KLSNEDKIIATGGGIVQSAENRRFLKTQPIVLYLEAEADCLVDRIQQDETSIRPLALGKTR-EEIKALLAQRLSWYEESATHRINTTNQTPEKIIDTIIERIKSI 4BQS Chain:B ((6-167)) ----VLVGLPGSGKSTIGRRLAKALGVGLLDTDVAIEQRTGRSIADIFATDGEQEFRRIEEDVVRAALADHDGVLSLGGGAVTSPGVRAALAGH-TVVYLEISAAEGVRRTGGN--TVRPLLAGPDRAEKYRALMAKRAPLYRRVATMRVDTNRRNPGAVVRHILSRLQ--

General information: TITO was launched using: RESULT: Template: 4BQS.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 : 762 -17092 -22.43 -106.82 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain B : 0.81 3D Compatibility (PKB) : -22.43 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.81 QMean score : 0.610

(partial model without unconserved sides chains): PDB file : Tito_4BQS.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4BQS-query.scw PDB file : Tito_Scwrl_4BQS.pdb: