Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDKKIIGIDLGGTTAKFAILTPEGEIQQKWSIDTNILDDGKHIVPEIIESINHRLNLYNMKAEDFIGIGMGTPGSVDSEAGTVIGAYNLNWTEVQFVKKLIEAGTGIKFAIDNDANVAALGERWKGAGENDPDVVFVTLGTGVGGGIVAGGNLIHGVSGAGGEIGHITVDPEGFECTCGKRGCLETVSSATGVVRLGRFLAEEYAGDSKLKAMLDNG--EEVTSKDIFEMAQEDDPFALMVVDRVCFYLGLACGNLGNTLNPSSIVLGGGVSAAGEFLRSRVEKYFKEFTF-PQVRESTKIKLAELGNEAGVIGAASLALKFA 3VGL Chain:A ((5-312)) -----IGVDIGGTKIAAGVVDEEGRILSTFKVATPPTAEG--IVDAICAAVAGASEGHDVEA-----VGIGAAGYVDDKRATVLFAPNIDWRH-EPLKDKVEQRVGLPVVVENDANAAAWGEYRFGAGQGHDDVICITLGTGLGGGIIIGNKLRRGRFGVAAEFGHIRVVPDGLLCGCGSQGCWEQYASGRALVRYAKQRANATPENAAVLLGLGDGSVDGIEGKHISEAARQGDPVAVDSFRELARWAGAGLADLASLFDPSAFIVGGGVSDEGELVLDPIRKSFRRWLIGGEWRPHAQVLAAQLGGKAGLVGAADLARQ--

General information: TITO was launched using: RESULT: Template: 3VGL.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 : 1978 -75473 -38.16 -247.45 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain A : 0.80 3D Compatibility (PKB) : -38.16 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.80 QMean score : 0.422

(partial model without unconserved sides chains): PDB file : Tito_3VGL.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3VGL-query.scw PDB file : Tito_Scwrl_3VGL.pdb: