Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDEKMKQGSKSVVESLINHHVDYVFGIPGAKIDGVFNELEDQGPELIVTRHEQNAAFMAQAIGRITGEPGVVIATSGPGASNLATGLVTATAEGDPVLAIAGQVKRSDLLKLTHQSMDNAALFQPITKYSAEIQDPETISEVIANAYRMAKSSKKGASFISIPQDVVDAPVQGN-VIKPLSDPKLGSASADDIRYLAERIREAKLPVLLVGMRGSSEKETLAIRQLVGKTALPVVETFQAAGVISRELEA-HFFGRVGLFRNQPGDMLLKRSDLVIAIGYDPIEYEARNWNAEKDARIIVIDEAPAEIDPFMQPERELIGDISATLDLLTGSLEPQQVSEDAKEYLASLQAELTERDIVQSKGEAGILHPLEVINTLQSKVTDDMTVTVDVGSHYIWMARHFRSYEPRHLLFSNGMQTLGVALPWAISAALVRPNTQIVSVSGDGGFLFSAQDLETAVRKKLNIVHLIWNDGHYNMVEFQEKMKYQRASGVDFGPVDFVKYAEAFGAKGIRATSVEELEKALEEGFATEGPVIIDIPIDYRDNEKLGETILPDQFY 4RJJ Chain:C ((14-558)) ----KNRGAELVVDCLVEQGVTHVFGIPGAKIDAVFDALQDKGPEIIVARHEQNAAFMAQAVGRLTGKPGVVLVTSGPGASNLATGLLTANTEGDPVVALAGNVIRADRLKRTHQSLDNAALFQPITKYSVEVQDVKNIPEAVTNAFRIASAGQAGAAFVSFPQDVVNEVTNTKNVRA-VAAPKLGPAADDAISAAIAKIQTAKLPVVLVGMKGGRPEAIKAVRKLLKKVQLPFVETYQAAGTLSRDL-EDQYFGRIGLFRNQPGDLLLEQADVVLTIGYDPIEYDPKFWNINGDRTIIHLDEIIADIDHAYQPDLELIGDIPSTINHIEHDAVKVEFAEREQKILSDLKQYMHEGEQVPADWKSDRAHPLEIVKELRNAVDDHVTVTCDIGSHAIWMSRYFRSYEPLTLMISNGMQTLGVALPWAIGASLVKPGEKVVSVSGDGGFLFSAMELETAVRLKAPIVHIVWNDSTYDMVAFQQLKKYNRTSAVDFGNIDIVKYAESFGATGLRVESPDQLADVLRQGMNAEGPVIIDVPVDYSDNINLASDKL-----

General information: TITO was launched using: RESULT: Template: 4RJJ.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain C - contact count / total energy / energy per contact / energy per residue : 3547 -94089 -26.53 -173.28 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain C : 0.88 3D Compatibility (PKB) : -26.53 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.88 QMean score : 0.566

(partial model without unconserved sides chains): PDB file : Tito_4RJJ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4RJJ-query.scw PDB file : Tito_Scwrl_4RJJ.pdb: