Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MGKLAADQLTLSYDSTVIIDGVDLKIEEGKITALIGANGCGKSTILKSLARLMAPKSGTVLLEGKDIHRQ----PSKEVAKKLAILPQSPQAPEGLTVEELCYFGRHPHKKLLSKHTQEDHDMVEWALEATGMIELKDRTLDALSGGQRQRAWISMALAQGTDLLLLDEPTTYLDISHQIEVLELLKKLNRDHGRTVVMVLHDLNQAAQYADYLISVLDGKIYNAGTPEDVFTQPFFREVFGLECCIMRSPIDQKPMCLPTGLCPKLRAK 3FVQ Chain:B ((9-230)) -------HLSKSFQNTPVLNDISLSLDPGEILFIIGASGCGKTTLLRCLAGFEQPDSGEISLSGKTIFSKNTNLPVRE--RRLGYLVQEGVLFPHLTVYRNIAYGLGNGKG----RTAQERQRIEAMLELTGISELAGRYPHELSGGQQQRAALARALAPDPELILLDEPFSALDEQLRRQIREDMIAALRANGKSAVFVSHDREEALQYADRIAVMKQGRILQTASPHELYRQP-----------------------------------

General information: TITO was launched using: RESULT: Template: 3FVQ.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 : 1068 -122013 -114.24 -559.69 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain B : 0.73 3D Compatibility (PKB) : -114.24 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.73 QMean score : 0.443

(partial model without unconserved sides chains): PDB file : Tito_3FVQ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3FVQ-query.scw PDB file : Tito_Scwrl_3FVQ.pdb: