Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKRLIQVMIMFTLLLTMAFSADAADSSYYDEDYRPQYHFTPEANWMNDPNGMVYYAGEYHLFYQYHPYGLQWGPMHWGHAVSKDLVTWEHLPVALYPDEKGTIFSGSAVVDKNNTSGFQTGKEKPLVAIYTQDREGHQVQS--IAYSNDKGRTWTKYAGNPVIPNP--------GKKDFRDPKVFWYEKEKKWVMVLAAG--DRILIYTSKNLKQWTYASEFGQDQ----GSHGGVWECPDLFELPVDGNPNQKKWVMQVSVGNGAVSGGSGMQYFVGDFDGTHFKNENPPNKVLWTDYGRDFYAAVSWSDIPSTDSRRLWLGWMSNWQYANDVPTSPWRSATSIPRELKLKAFTEGVRVVQTPVKELETIRGTSKKWKNLTISPASHNVLAGQSGDAYEINAEFKVSPGSAAEFGFKVRTGENQFTKVGYDRRNAKLFVDRSESGNDTFNPAFNTGKETAPLKP-VNGKVKLRIFVDRSSVEVFGNDGKQVITDIILPDRSSKGLELYAANGGVKVKSLTIHPLKKVWGTTPFMSNMTGWTTVNGTWADTIEGKQGRSDGDSFILSSASGSDFTYESDITIKDGNGRGAGALMFRSDKDAKNGYLANVDAKHDLVKFFKFENGAASVIAEYKTPIDVNKKYHLKTEAEGDRFKIYLDDRLVIDAHDSVFSEGQFGLNVWDATAVFQNVTKES 3RWK Chain:X ((24-514)) ----------------------QS-------NDYRPSYHFTPDQYWMNEPNGLIKIGSTWHLFFQHNPTANVWGNICWGHATSTDLMHWAHKPTAIADENGVEAFTGTAYYDPNNTSGLGDSANPPYLAWFTGYTTSSQTQDQRLAFSVDNGATWTKFQGNPIISTSQEAPHDITGGLESRDPKVFFHRQSGNWIMVLAHGGQDKLSFWTSADTINWTWQSDLKSTSINGLSSDITGWEVPDMFELPVEGT-EETTWVVMMTPAEGSPAGGNGVLAITGSFDGKSFTADPVDASTMWLDNGRDFDGALSWVNVPASDGRRIIAAVMNS--YGSNPPTTTWKGMLSFPRTLSLKKVGTQQHFVQQPITELDTISTSLQILANQTITPG-QTLLSSIRGTALDVRVAFY--PDAGSVLSLAVRKGASEQTVIKYTQSDATLSVDRTESGDISYDPAAG-GVHTAKLEEDGTGLVSIRVLVDTCSVEVFGGQGEAVISDLIFPSDSSDGLALEVTGGNAVLQSVDVRSVS-----------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3RWK.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain X - contact count / total energy / energy per contact / energy per residue : 2969 67546 22.75 142.50 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain X : 0.72 3D Compatibility (PKB) : 22.75 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.72 QMean score : 0.484

(partial model without unconserved sides chains): PDB file : Tito_3RWK.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3RWK-query.scw PDB file : Tito_Scwrl_3RWK.pdb: