Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDDATDELATLIARGLGVLRPKRLHAGAEAVAYELDDARVLKVYHAGGSAERFATIASFYARLNSDRAGFAVPRILTHGV-EGGRAYSVEKRLLGEPLSTRA---HFLT-DTDLIDAYLAAALRVGRIQVEPEWNSWTMFGEQRHGDWHQHVRGQIESQSRALARMLQPAYWERLANATADVRQHFDR--PFLGKVCLIHGDFHPGNVLVGA---TGRVLSLVDFGAFTTFGDAAFDVATACGYFSMYEPDQATTRRSLVARLLRMEGSPPGALVAMYLKLAAFLTCTAYPDDRVAVQDTGHFQWAMSVLFDPMLDELVDRVPH 3TDW Chain:A ((9-292)) -----TTMIMTQFPDISIQSVESLGEGFRNYAILVNGDWVFRFPKSQQGADELNKEIQLLPLLVGC-VKVNIPQYVYIGKRSDGNPFVGYRKVQGQILGEDGMAVLPDDAKDRLALQLAEFMNELSAFPVETAISAGV--P---VTNLKNKILLLSEAVEDQVFPLLDESLR---DYLTLRFQSYMTHPVYTRYTPRLIHGDLSPDHFLTNLNSRQTPLTGIIDFGD-AAISDPDYDYVYLLEDCG---ELFT-RQVMAYR-GEVDLD-THIRKVSLFVTFDQVSYLLEGLR----ARDQDWISEGLEL---------------

General information: TITO was launched using: RESULT: Template: 3TDW.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 : 1225 -48753 -39.80 -177.93 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : -39.80 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.274

(partial model without unconserved sides chains): PDB file : Tito_3TDW.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3tdw-query.scw PDB file : Tito_Scwrl_3TDW.pdb: