Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNTIFKQKNTHPFSNAANRLDRLPISRVHFQVLTALGIVYFFDLADLFTLSNVAPAL-IEHWGIPLSTIANVTAASFLGMFLGASLGGRLSDRIGRKKALNLFVFVFSIASLCNAAA-----WDIPSLMTFRFLTGFGVAAAMVITNSYLAEFFPSSVRGKYISFCAMIGLIGVPITNIVSAFVIPL---GSWGWRLV-------------FVW-GAVGLIYFFFIH-RLEESPRWHENRGEYAKADAILTRIEEQVEKEKGPLPAASQPKVSETVKQNAGYAGLLKGRNLKITIVLSAVWIFETFGFYGFASWVPSLLKSNGVTMENTLWYNVLHSVGAPLGALLGSMISERFQRKWILAASAFLTAIAGLLYGMT-F-----IPIM----IIVFGFIVNITERVFTSNLYAYTSEPY-----------------PTEYRSSGSGLAYGLGRFSNIFGSLLVGFIAVQLG-YISVFLFIGGCWLACSLLLIFFGPNTNAKQI 4U4V Chain:A ((56-451)) --------------------------------------------------SAVAVNLPKVGFNFTTDQLFMLTALPSVSGALLRVPYSFMVPIFGGRRWTAFSTGILIIPCVWLGFAVQDTSTPYSVFIIISLLCGFAGA-NFASSMANISFFFPKQKQGGALGLNGGLGNMGVSVMQLVAPLVVSLSIFAVFGSQGVKQPDGTELYLANASWIWVPFLAIFTIAAWFGMNDLAT-----------------------------------------------LPVLKRGHLWIM---SLLYLATFGSFIGFSAGFAMLS-KTQFPDVQILQYAFFGPFIGALARSAGGALSDRLGGTRVTLVNFILMAIFSGLLFLTLPTDQGGSFMAFFAVFLALFLTAGLGSGSTFQMISVIFRKLTMDRVKAEGGSDERAMREAATDTAAALGFISAIGAIGGFFIPKAFGSSLALTGSPVGAMKVFLIFYIACVV--------------

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 : 1445 -161644 -111.86 -482.52 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : -111.86 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.346

(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: