Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEIHTYEKEFFDLLKRISHYSEAVALMHWDSRTGAPKNGSEDRAESIGQLSTDIFNIQTSDRMKELIDVLYERFDDLSEDTKKAVELAKKEYEENKKIPEAEYKEYVILCSKAETAWEEAKGKSDFSLFSPYLEQLIEFNKRFITYWGYQE-HPYDALLDLFEPGVTVKVLDQLFAELKEAIIPLVKQVTASGNKPDTSFITKAFPKEKQKELSLYFLQELGYDFDGGRLDETVHPFATTLNRGDVRVTTRYDEKDFRTAIFGTIHECGHAIYEQNIDEALSGTNLSDGASMGIHESQSLFYENFIGRNKHFWTPYYKKIQEASPVQFKDISLDDFVRAINESKPSFIRVEADELTYPLHIIIRYEIEKAIFSNEVSVEDLPSLWNQKYQDYLGITPQTDAEGILQDVHWAGGDFGYFPSYALGYMYAAQLKQKMLEDLPEFDALLERGEFHPIKQWLTEKVHIHGKRKKPLDIIKDATGEELNVRYLIDYLSNKYSNLYLL 5E3X Chain:A ((2-487)) -------EELKSYYKRVAKYYSAAALLYWDMQTYMPKDAGPYRAEVLSEIGTYAFKQITDDALGKLLETAQ----PQSEIDEKLVYVGKKEYYKYKKVPPELFQEIMITSTMLEQKWEIAKPRGDFEEVRPLLEKIVDLSRKYADILGY-EGEPYNALLDLYEPGMKAEEVDQIFSKVRDFIVEVLEKIERLPKSE-DPF-NREIGVDKQKEFSNWLLHYLKYDFTKGRLDVSAHPFTNPIGLNDVRITTRYIVNDIRNSIYSTIHEFGHALYALSIPTEFYGLPIGSSASYGFDESQSRFWENVVGRSLAFWKGIYSKFIEIVPE-MRGYSVEELWRAVNRVQRSFIRTEADEVTYNLHIIIRFEIERELINGELSVKDVPDKWNELYKKYLGLDVPNNTLGCMQDPHWFGGNFGYFPTYALGNLYAAQIFEKLKEEI-NFEEVVSAGNFEIIKNFLKEKIHSKGKMYEPSDLIKIVTGKPLSYESFVRYIKDKYSKVYEI

General information: TITO was launched using: RESULT: Template: 5E3X.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 : 2381 6755 2.84 13.93 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain A : 0.82 3D Compatibility (PKB) : 2.84 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.82 QMean score : 0.567

(partial model without unconserved sides chains): PDB file : Tito_5E3X.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5E3X-query.scw PDB file : Tito_Scwrl_5E3X.pdb: