Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKTLALAATAAVLMLSACSSGFGGEKEEEITQKTAKSSEKAIVPKYNISDSYYKMVLPFKAGKARGLTTEQLNTRLDIDEFETGLMRLAQDSFSTDDYLFQEGQYLDEDTVLSWLARKKTGSDLKKAEKEDKNFKNEGLNPALPSSGSTEEKNESSPIYLASMLEHDYLVRKDKNSIQLGGVMIGLALNSVYYYREKTGDPQKEVEIKDSTLRQQGEKIAQEVINRLRKKDNLKNVPITVALYKQASKTSIVPGNFIAKTEVKAGSTDISNWDDINEKYVFYPADTTTAEKYPDDTEVFKRFKNSIEEYFP-NYTGVVGTALYENDEMKKMKIDIPMQFYGKSEVVAFTQFLTGEVMDYYSKSSVDVEVNITSSDGQEAVIIRNAGDKEPTVHIYD 3N2Q Chain:A ((56-340)) ---------------------------------------------------------APLKEQKVINTANIKTNSKLDLAEYENGLINIATQQFDTESHVLQLNQYIPEKLIDELVAKVE------------------------------------AP-VLTNIIEQDYFGK---NELSLSGVMIGLAMSS---------------SVSNEEAMSKGTEVAKQLIEAINKNDKYNKSPITFAIFKQESTSSLKNGTYIASATVQKNDTNLGNWSTIDEKSYSYPSDEFT-QAHGEDNTKINNFAKEIKGF-NGDFIPVNAKVSYKKDQMDTLNMNIVIKYNGKTELMALTQLAAQGMLDKLP-KDAKVQLQIKSESKIEAVIIKEKNSDKPFVSFL-

General information: TITO was launched using: RESULT: Template: 3N2Q.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 : 1392 -95420 -68.55 -340.78 target 2D structure prediction score : 0.70 Monomeric hydrophicity matching model chain A : 0.75 3D Compatibility (PKB) : -68.55 2D Compatibility (Sec. Struct. Predict.) : 0.70 1D Compatibility (Hydrophobicity) : 0.75 QMean score : 0.490

(partial model without unconserved sides chains): PDB file : Tito_3N2Q.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3N2Q-query.scw PDB file : Tito_Scwrl_3N2Q.pdb: