Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSAVTESVLESIISPVTMSEFLEEYW-PVKPLVARGEVERFTSIPGFEKVRTLENVLAIYNN-PVMVVG--DAVIE--ESEG--ITDRFLVSPAEALEWYEKG----AALEFDFT----DLFIPQVRRWIEKL----KAELRLPAGTSSKAIVYAAKNGGGFKAHFDAYTNLIFQIQGEKTWKLAKNENVSNPMQHY-DL------------------------SEAPYYPDDLQSYWKGDPPKEDLPDAEIVNLTPGTMLYLPRGLWHSTKSDQATLALNITFGQPAWLDLMLAALRKKLISDNRFRELAVNHQSLHESSKSELNGYLESLIQTLSENAETLTPEQIFQSQDSDFDPYQSTQLVFRQLLTSYKF 4QSZ Chain:A ((398-669)) ------RVVPYLDEPPSPLCFYRDWVCPNRPCIIRNALQ---HWPALQKWS-LSYLRATVGSTEVSVAVTPDGYADAVRGDRFVMPAERRLPISHVLDVLEGRAQHPGVLYVQK-CSNLPTELPQLLSDIESHVPWASESLGK---MPDAVNFWLGDASAVTSLHKDHYENLYCVVSGEKHFLLHPPSDRPFIPYNLYTPATYQLTEEGTFRVVDEEAMEKVPWIPLDPLAPDLTQ-----YPSYSQAQALHCTVRAGEMLYLPALWFHHVQQSHGCIAVNFWYDMEYDL-------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4QSZ.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 : 943 -25296 -26.83 -111.93 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain A : 0.62 3D Compatibility (PKB) : -26.83 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.488

(partial model without unconserved sides chains): PDB file : Tito_4QSZ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4QSZ-query.scw PDB file : Tito_Scwrl_4QSZ.pdb: