Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLNIFKPAPHIERLDDSKMDAAYKRLRLQVFIGIFIGYAGYYLLRKNFAFAIPYL-QEQ-GFSKTELGLVLAAVSIAYGFSKFIMGMVSDRCNPRYFLATGLFLSAIVNILFVSMPWVT-----SSVTIMFIFMFINGWFQGMGWPPCGRTMAHWFSISERGTKMSIWNVAHNIGGGILAPLVTLGIAM----FVTWKSV-------------FFFPAIIAIIISFLIVLLVRDTPQSCGLPPIEEYRNDYPKHAFKNQEKELTTKEILFQYVLNNKFLWYIAFANVFVYFVRYGVVDWAPTYLTEAKGFSPEDSRWSYFLYEYAGIPGTILCGWISDRFFKSRRAPAGVLFMAGVFIAVLVYWLN-PAG---NPLV----DNIALISIGFLIYGPVMLIGLQAIDLA-----------------PKKAAGTAAGLTGFFGYIGGSAFANAIMGFVVDRFN-WNGGFIMLISSCILAIVFLALTWNTGKRAEHV 4U4V Chain:A ((57-452)) -------------------------------------------------AVAVNLPKVGFNFTTDQLFMLTALPSVSGALLRVPYSFMVPIFGGRRWTAFSTGILIIPCVWLGF----AVQDTSTPYSVFIIISLLCGFAGA-NFASSMANISFFFPKQKQGGALGLNGGLGNMGVSVMQLVAPLVVSLSIFAVFGSQGVKQPDGTELYLANASWIWVPFLAIFTIAAWFGMNDLAT---------------------------------LPVLKRGHLWIMSLLYLATFGSFIGFSAGFAMLSK--TQFPDVQILQYAFFGPFIGALARSAGGALSDRL-GGTRVT-LV-NFILMAIFSGLLFLTLPTDQGGSFMAFFAVFLALFLTAGLGSGSTFQMISVIFRKLTMDRVKAEGGSDERAMREAATDTAAALGFISAIGAIGGFFIP-KAFGSSLALTGSPVGAMKVFLIFYIACVVI--------------

General information: TITO was launched using: RESULT: Template: 4U4V.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 : 1680 -270640 -161.09 -803.08 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : -161.09 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.276

(partial model without unconserved sides chains): PDB file : Tito_4U4V.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4U4V-query.scw PDB file : Tito_Scwrl_4U4V.pdb: