Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence --------MFEKIR-SDMNPHQAYRIKK----------LQCQLDMAESYEEWKSFALKLDEETGAQEWKFDNSSPYFDAELIS-----YRYTLLKRYRQQHRTLDLIYLLKEGLTYDIANIGHPMLFAATHVGTKKLIEDYIEEVSQSLAYIASSECITFQRKEKIEFFENCEKAYGQPALMFSGGATLGLFHTGVCKALIEQDLMPKVLSGSSAGAIMTGMLGISASEDIQNLLNGEQFFSDAFHFRKLRELIKGNG---GIADVHYLKKFLIENLGDLTFEEAFKKSGLNINVAVAPYDATENPRIMNAIMTPNVLVWSAVLASCAVPVLFPP--VRLTSKRYDGEHTPYMANTKWVDGSVRSDFPQERMARLYNLNYTIASQVNPHVVPFMQDDARRFRKDVLSWPERILRRQG----KVLSMGLMDFTRQRLGAISPVRRLLD---HGYGVVGQRYYGDVNIIAKYSLKHYAYTLQNPRPHLFKRLQREGERATWPKISSIETHARIGKTIQHCLEVLRFEEKKQQ--PESYYAEA----- 3WMT Chain:A ((18-522)) SFQAECESFKAKINVTNANVHSVTYVPAGVNISMADNPSICGGDPITSTFAFCRIALNVTTSS--------KSQIFMEAWLPSNYSGRFLSTGNGGLGGCVKYDDMAYAAGYGFATVGTNNGHFGNNGVSFYQNTEVVEDFAYRALHTGVVVGKELTKNFYPQGYNKSYYLGCSTGGRQGWKSVQT------FPDDFDGVVAGAPAFNFINLTSWGARFLTLTGDSSAE---TFVTETQW--TAVHNEIIRQCDSLDGAKDGIIEDPDLCQPIIEALLCNATQSSTSGTCLT----------GAQVKTVNGVFSATY----GLNGSFLYPRMQPGSELAAYSSYYSG--TPFAYAEDWYRYVVFNNTNWD-VATWTVQDAAIANAQDPYQISTWNGDLSPFQKK----GGKVLHYHGMEDAIISSESSKVYYKHVADTMNLSPSELDSFYRFFPISGMAHCANADGPSAIGQGTGTFAGNNPQDNVLLAMVQWVEEGVAPD--FVRGAKLNGSTVEYRRKHCKYPKRNRYVGPGSYTDENAWECV

General information: TITO was launched using: RESULT: Template: 3WMT.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 : 2794 34212 12.24 74.37 target 2D structure prediction score : 0.39 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : 12.24 2D Compatibility (Sec. Struct. Predict.) : 0.39 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.157

(partial model without unconserved sides chains): PDB file : Tito_3WMT.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3WMT-query.scw PDB file : Tito_Scwrl_3WMT.pdb: