Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKTLALAATAAVLMLSACSSGFGGEKEEEITQKTAKSSEKAIVPKYNISDSYYKMVLPFKAGKARGLTTEQLNTRLDIDEFETGLMRLAQDSFSTDDYLFQEGQYLDEDTVLSWLARKKTGSDLKKAEKEDKNF----KNEGLNPALPSSGSTEEKNESSPIYLASMLEHDYLVRKDKNSIQLGGVMIGLALNSVYYYREKTGDPQKEVEIKDSTLRQQGEKIAQEVINRLRKKDNLKNVPITVALYKQASKTSIVPGNFIAKTEVKAGSTDISNWDDINEKYVFYPADTTTAEKYPDD-TEVFKRFKNSIEEYFPNYTGVVGTALYENDEMKKMKIDIPMQFYGKSEVVAFTQFLTGEVMDYYSKSSVDVEVNITSSDGQEAVIIRNAGDKEPTVHIYD 2QX2 Chain:A ((13-342)) -------------------------------------------------------------------LLQDNMANSYNGGDFEDGLLNLSKEVFPTDKYLYQDGQFLDKKTINAYLNPKYTKREIDKMSEKDKKDKKANENLGLNPSHEGETNPEKIAEKSPAYLSNILEQDFYG------KNIKGMTIGLAMNSVYYYKKEKDGPTFSKKLDDSEVKKQGKQMASEILSRLRENDDLKDIPIHFAIYKQSSEDSITPGEFITQATAEKSQTKL-EWHNINEKSALLP--SSTAADYDENLNNNFKQFNDNLQ-------QAVGKVKFVDKKPQRLVVDLPIDYYGQAETIGITQYVTEQANKYFDKID-NYEIRIKDGNQPRALISKTKDDKEPQVHIY-

General information: TITO was launched using: RESULT: Template: 2QX2.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 : 1512 -63781 -42.18 -205.08 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain A : 0.78 3D Compatibility (PKB) : -42.18 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.78 QMean score : 0.462

(partial model without unconserved sides chains): PDB file : Tito_2QX2.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2QX2-query.scw PDB file : Tito_Scwrl_2QX2.pdb: