Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAQAKKSVDIKNIRNFSIIAHIDHGKSTLADRFIQMCGGLQDREMQAQVLDSMELERERGITIKAASVTLYYTHPNGQEYQLNFIDTPGHVDFSYEVSRSLAACEGALLVVDAAQGVEAQSVANCYTAIEQGLEVLPILNKIDLPQAEPERVIHEIEEIIG--------------------------------------------------------------------------------------------IEATNAPTC--SAKTGLGVEGVLETLVDVIPAP------TG------------DREAPLQALIIDSWFDNYLGVVSLVRIKDGRIRKGDKMLVKSTGQTHIVTSVGVFNPKHTET-GVLEAGEVGFVIAGIKDIFGAPVGDTITLSTTPEVASLPGFKKVKPQVYAGLFPIDASDFEPFREALQKLQINDSALFFE--PESSDALGFGFRCGFLGMLHMEIVQERLEREYDLDLISSAPTVVYEAVTKKGDTIYIDSPSKMPDGSVVEDLREPIAECHILVPQEYLGNVMILCIERRGVQKDMKFLGNQVSITFEIPMAEVVMDFFDKLKSCSRGFASLDYNFIRFESSSLVKVDVLINGEKVDALAMICHRNDARHRGIALVD---KMKDLIPRQMFDVAIQAAI--GAQII---ARSTVKAMRKNV-LAKCYGGDVSRKKKLLAKQKEGKKRMKQVGSVEIPQEAFLAVLKVER 4M1K Chain:A ((6-688)) ------EYDLKRLRNIGIAAHIDAGKTTTTERILYYTG-----------------------RIAAVTTCFW------KDHRINIIDTPGHVDFTIEVERSMRVLDGAIVVFDSSQGVEPQSETVWRQAEKYKVPRIAFANKMDKTGADLWLVIRTMQERLGARPVVMQLPIGREDTFSGIIDVLRMKAYTYGNDLGTDIREIPIPEEYLDQAREYHEKLVEVAADFDENIMLKYLEGEEPTEEELVAAIRKGTIDLKITPVFLGSALKNKGVQLLLDAVVDYLPSPLDIPPIKGTTPEGEVVEIHPDPNGPLAALAFKIMADPYVGRLTFIRVYSGTLTSGSYVYNTTKGRKERVARLLRMHANHREEVEELKAGDLGAVV-GLKE---TITGDTLVGEDAPRVI-LESIEVPEPVIDVAIEPKTKADQEKLSQALARLAEEDPTFRVSTHPETGQTIISG-----MGELHLEIIVDRLKREFKVDANVGKPQVAYRETITK---------PVDVEGKFIRLTGGRGQYGHVKIKVEPLPR-------GSGFEFVNAIVGGVIPKEYIPAVQKGIEEAMQS--GPLIGFPVVDIKVTLYDGSYH---EVDSSEMAFKIAGSMAIKEAVQKGDPVILEPIMRVEVTTPEEYMGDVIGDLNARRGQILGMEPRGNAQVIRAFVPLAEMFGYATDLRSKT---QGRGSFVMFFDHYQEVPKQVQEKLI----

General information: TITO was launched using: RESULT: Template: 4M1K.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 : 2749 -10552 -3.84 -19.83 target 2D structure prediction score : 0.52 Monomeric hydrophicity matching model chain A : 0.68 3D Compatibility (PKB) : -3.84 2D Compatibility (Sec. Struct. Predict.) : 0.52 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.394

(partial model without unconserved sides chains): PDB file : Tito_4M1K.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4M1K-query.scw PDB file : Tito_Scwrl_4M1K.pdb: