Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MIPKSFLIYKNDKLDLCKTLAIIEERLELPSPMEQDDMAGKTLYDKLWDDHVVTQRDDGSCLLYI--DRHLLHEVTSPQAFEGLQLAGRQPWRLSANVATPDHNVPTSKKERDQGIAGIEDDTSRIQVQTLDDNCKAFNIV-----EFGINDIR--QGIVHVVGPEQGLTLPGMTVVCGDSHTATHGAFGCLAHGIGTSEVEHVLATQCLVQKKSKNMLVRVDGVLGKGVTPKDVVLAIIGKIGTAGGTGYAIEFGGQVFRDMSIEGRMTVCNMAIEAGARVGMVAVDDKTIEYVKGRSYAPKGEQWDQAVAYWNTLHSDDDAVFDAVVELNGAEIEPQVSWGTSPEMVIPVSKAVPTLEQAKDDVQRNDWTRAYQYMGLNAGQALADIQLGRVFIGSCTNSRIEDIRAAAEVVKGRKVAPSIK---QAMIVPGSGLVKQQAEKEGLDKIFLEAGFEWREPGCSMCLAM-NADKLQPGEH--CASTSNRNFEGRQGNGGRTH--LVSPAMAVAAAIAGHFVDIRSF 5ACN Chain:A ((21-476)) ---------------LEKNIDIVRKRLNRPLTLSE-----KIVYGHL-DDPANQEIERGKTYLRLRPDRVAMQDATAQMAMLQFISSGLPKVAVPSTIHC-DHLI--------EAQLGGEKDLRRAK----DINQEVYNFLATAGAKYGVGFWRPGSGIIHQIILEN-YAYPGVLLIGTDSHTPNGGGLGGICIGVGGADAVDVMAGIPWELKCPKVIGVKLTGSLSGWTSPKDVILKVAGILTVKGGTGAIVEYHGPGVDSISCTGMATICNMGAEIGATTSVFPYNHRMKKYL---SKTGRADIANLADEFKDHLVPDPGCHYDQVIEINLSELKPHINGPFTPDLAHPVAEVGSVAE-------KEGWP--------------LDIRVG--LIGSCTNSSYEDMGRSAAVAK-QALAHGLKCKSQFTITPGSEQIRATIERDGYAQVLRDVGGIVLANACGPCIGQWDRKDIKKGEKNTIVTSYNRNFTGRNDANPETHAFVTSPEIVTALAIAG--------

General information: TITO was launched using: RESULT: Template: 5ACN.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 : 2701 23271 8.62 53.01 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain A : 0.75 3D Compatibility (PKB) : 8.62 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.75 QMean score : 0.345

(partial model without unconserved sides chains): PDB file : Tito_5ACN.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5ACN-query.scw PDB file : Tito_Scwrl_5ACN.pdb: