Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MGNTNGDSAFNKRTIAAALANYIDAGSIVAGSAGLSLWVSYLKLSDTQIGLLGALSANAISAAVGALLGGFLADKVGRKAVYTNSMLVYALGICLVLFG-----VNFPMLLSGYIIIGLSVGADITASWTIIAENAPKKNRARHCGVAQVAWAAGAVVVLLLSVLAGDL---GLLGNKIV-------------FAHLLVIALITYI-LRIRLPESDAWQTKNQPEEAQAEKPAVLNKTSYFDLLKPMYLKSILFLMGVYLVWNLAAGVMGFFMPYIYQQVGGVSANMANLLQMGLFIFTGLGVALIFMPFADKY-RKTVFGIAAFMAVIGWTLFLLP-VE----GLP----ILLLFIVVIGINNGAGQQANYQLWASEIF-----------------PTQYRASAQGLMFFLVRISIGIWSLFVPMIITNFG-IGTMAAILLGCVTASMIIGLLFAPNTSGKSLEQIQEELYGSPQSQVKKGTESKIM 4U4V Chain:A ((64-452)) --------------------------------------KVGFNFTTDQLFMLTALP--SVSGALLRVPYSFMVPIFGGRRWTAFSTGILIIPCVWLGFAVQDTSTPYSVFIIISLLCGFAGA-NFASSMANISFFFPKQKQGGALGLNGGLGNMGVSVMQLVAPLVVSLSIFAVFGSQGVKQPDGTELYLANASWIWVPFLAIFTIAAWFGMNDLAT-----------------------LPVLKRGHLWIMSLLY---LATFGSFIGFSAGFAMLSK--TQFPDVQILQYAFFGPFIGAL-ARSAGGALSDRLGGTRVTLVNFILMAIFSGLLFLTLPTDQGGSFMAFFAVFLALFLTAGLGSGSTF-QMISVIFRKLTMDRVKAEGGSDERAMREAATDTAAALGFISAIGAIGGFFIPKAFGSSLALTGSPVGAMKVFLIFYIACVVI-------------------------------------

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 : 1350 -204550 -151.52 -619.85 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain A : 0.67 3D Compatibility (PKB) : -151.52 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.342

(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: