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 8ACN Chain:A ((21-476)) ---------------LEKNIDIVRKRLNRPLTLSE-----KIVYGHL-DDPANQEIERGKTYLRLRPDRVAMQDATAQMAMLQFISSGLPKVAVPSTIHC-DHLI--------EAQLGGEKDLRRAK----DINQEVYNFLATAGAKYGVGFWRPGSGIIHQIILEN-YAYPGVLLIGTDSHTPNGGGLGGICIGVGGADAVDVMAGIPWELKCPKVIGVKLTGSLSGWTSPKDVILKVAGILTVKGGTGAIVEYHGPGVDSISCTGMATICNMGAEIGATTSVFPYNHRMKKYL---SKTGRADIANLADEFKDHLVPDSGCHYDQLIEINLSELKPHINGPFTPDLAHPVAEVGSVAE-------KEGWP--------------LDIRVG--LIGSCTNSSYEDMGRSAAVAK-QALAHGLKCKSQFTITPGSEQIRATIERDGYAQVLRDVGGIVLANACGPCIGQWDRKDIKKGEKNTIVTSYNRNFTGRNDANPETHAFVTSPEIVTALAIAG--------

General information: TITO was launched using: RESULT: Template: 8ACN.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 : 2681 25741 9.60 58.63 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.75 3D Compatibility (PKB) : 9.60 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.75 QMean score : 0.340

(partial model without unconserved sides chains): PDB file : Tito_8ACN.pdb: (Unconserved sides chains are recalculated) : Sequence: align-8ACN-query.scw PDB file : Tito_Scwrl_8ACN.pdb: