Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ---------------------------------------------------------------------MKQLKWRTVNPEETKAIAKLTAAFAK-----PGDVLTLEGDLGAGKTTFTKGFAEGLGITRIVNSPTFTIIKEYNDG--VLPLYHMDVYRMEDESEDLGLDEYFHGQGVCLVEWAHLIEEQLPQERLQIVIKRAGDDEREITFTAVGNRYEMLCEELSRHDNISN---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- 3M6A Chain:A ((7-531)) TGEVQTLTEKIEEAGMPDHVKETALKELNRYEKIPSSSAESSVIRNYIDWLVALPWTDETDDKLDLKEAGRLLDEEHHGLEKVKERILEYLAVQKLTKSLKGPILCLAGPPGVGKTSLAKSIAKSLGRKFVRISLGGRIIQGMKKAGKLNPVFLLDEIDKMSAMLEVLDPEQ---------------NSSFSDHYIEE-----TFDLSKVLFIATANNL----------ATIPGPLRDRMEIINIAGYTEIEKLEIVKDHLLPKQIKEHGLKKSNLQLRDQAILDIIRYYTREAGVRSLERQLAAICRKAAKAIVAEERKRITVTEKNLQDFIGKRIFRYGQAETEDQVGVVTGLAYTTVGGDTLSIEVSLSPGKGKLILTGKLGDVMRESAQAAFSYVRSKTEELGIEPDFHEKYDIHIHVPEGAVPKDGPAAGITMATALVSALTGRAVSREVGMTGEITLRGRVLPIGGLKEKALGAHRAGLTTIIAPKDNEKDIEDIPESVREGLTFILASHLDEVLEHALV

General information: TITO was launched using: RESULT: Template: 3M6A.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 : 482 -39153 -81.23 -305.88 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain A : 0.56 3D Compatibility (PKB) : -81.23 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.56 QMean score : 0.381

(partial model without unconserved sides chains): PDB file : Tito_3M6A.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3M6A-query.scw PDB file : Tito_Scwrl_3M6A.pdb: