Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSLLNHFATELDELKQQGNFR-QFTQNVQHGRFITIQNKTMLNLASNDYLGLAADINLRQEFLDSYPLERSYFSSSSSRLLTGNFDEYEQLENSLSQAFSGR-----AALLFNSGYHMNIGILPAVADSKTLILADKLVHASMIDGIRLSGAQYVRYRHNDLQHLEQLLQKYHDDDQIERIIVVTESIFSMDGDETDLTALVQLKKRFAKTMLYVDEAHSIGVRGQQGLGCAEQYNVIQEIDFLVGTLGKALAAVGGYIICDQIIKDYLINKMRPLIFSTAQPPIVMAWANFIFKKVLM--AQSQREHLKNISQYLQQAVVQKGYVSPSTSH--IIPVIVGESQATIDKAKQVQESGFYAMPVRPPTVPKNSSRLRISLTSMVEQHELEALVSFL 5VNX Chain:A ((1-372)) MNLLDTLQRGLADLDAQGLRRVRRTADSACDAHMTVNGREIVGFASNDYLGLAAHPKLVAAFAEGA--QRYGSGSGGSHLLGGHSRAHAKLEDELA-GFAGGFSDAPRALYFSTGYMANLAAVTALAGKDATIFSDALNHASLIDGTRLSRATVQVYPHADTATLGALLEACTSQTK----LIVTDTVFSMDGDIAPLAELLALAERHGA-WLVVDDAHGFGVLGPQGRGALAAAALRSPHLVYVGTLGAAGVA-GAFVVAHETVIEWLIQRARSYIFTTAAPPAVAHAVSASLKVIAGDEGDARRAHLAALIERTRALLRRTRW-QPVDSHTAVQPLVIGSNEATLAAMRALDAHGLWVPAIRPPTVPAGTSRLRISLSA--------------

General information: TITO was launched using: RESULT: Template: 5VNX.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 : 1968 -33966 -17.26 -94.09 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.76 3D Compatibility (PKB) : -17.26 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.547

(partial model without unconserved sides chains): PDB file : Tito_5VNX.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5VNX-query.scw PDB file : Tito_Scwrl_5VNX.pdb: