Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -----------------------------------------------------MFEKIRSD--MNPHQAYRIKKLQCQ-------LDMAESYEE--------WKSFALKLD-------------EETGAQEWKFDNSSPYFDAELISYRYTLLKRY----RQQHRTLDLIYLLKEGLTYDIANIGHPMLFAATHVGTKK----LIEDYIEEVSQSLAYIASSECI---TFQRKEKIEFFENCEKAYGQ-------PALMFSGGATLGLFHTGVCKALIEQ-------------DLMPKVLSGSSAGAIMTGMLGISASEDIQNLLNGEQFFSDAFHF--------RKLRELIKGNGGIADVHYLKKFLIENLGDL-----TFEEA--FKKSGLNINVAVAPYDATENPRIMNAIMTPNVLV------------------WSAVLASCAVPVLFPPVRLTSKRYDGEHTPYMANTKWVDGSVRSDFPQERMARLYNLNYTIASQVNPHVVPFMQDDARRFRKDVLSWPERILRRQGKVLSMG-----LMDFTRQRLGAIS------------------PVRRLLDHGYGVVGQRYYGD-VNIIAKYSLKHYAYTLQNPRPHLFKRLQREGER-ATWPKISSIETHARIGKTIQHCLEVLRFEEKKQQP---ESYYAEA---------------------------------------------------------- 4HNY Chain:A ((54-862)) VDSLALKGLDLYSVGEKDDAASYVANAIRASPICCHVLGIYMRNTKEYKESIKWFTAALNNGSTNKQIYRDLATLQSQIGDFKNALVSRKKYWEAFLGYRANWTSLAVAQDVNGERQQAINTLSQFEKLAEGKISDSEKYEHSECLMYKNDIMYKAASDNQDKLQNVLKHLNDIEPCVFDKFGLLERKATIYMKLGQLKDASIVYRTLIKRNPDNFKYYKLLEVSLGIQGDNKLKKALYGKLEQFYPRCEPPKFIPLTFLQDKEELSKKLREYVLPQLERGVPATFSNVKPLYQRRKSKVSPLLEKIVLDYLSGLDPTQDPIPFIWTNYYLSQHFLFLKDFPKAQEYIDAALDHTPTLVEFYILKARILKHLGLMDTAAGILEEGRQLDLQDRFINCKTVKYFLRANN-IDKAVEVASLFTKNDDSVNGIKDLHLVEASWFIVEQAEAYYRLYLDRKKKLDDLASQIANDIKENQWLVRKYKG-LALKRFNAIPKFYKQFEDDQLDFHSYCMRKGTPRAYLEMLEWGKALYTKPMYVRAMKEASKLYFQMHDDRLKRKSDSLDENDVFGEKLIETSTPMEDFATEFYNNYSMQVREDERDYILDFEFNYRIGKLALCFASLNKFAKRFGTTSGLFGSMAIVLLHATRPFDPILKKVVTKSLEKEYSEFDWLNFYQEKFGKNDINGLLFLYRYRDDVPIGSSNLKEMIISSLSPLEPHSQNEILQYYLYPYDVPDY

General information: TITO was launched using: RESULT: Template: 4HNY.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 : 2041 73334 35.93 146.67 target 2D structure prediction score : 0.51 Monomeric hydrophicity matching model chain A : 0.62 3D Compatibility (PKB) : 35.93 2D Compatibility (Sec. Struct. Predict.) : 0.51 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.187

(partial model without unconserved sides chains): PDB file : Tito_4HNY.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4HNY-query.scw PDB file : Tito_Scwrl_4HNY.pdb: