Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKTSVRDIALEALIKLEQNQAYSNLLLKSVIKSNELSDQNRGLLTELVYGTLQNKIALDYMLKPFINKPQKVKPWVIQLLRLSLYQMEYLEKIPDRAAIHEAVEIAKIRGHKGIASFVNGVLRSIQREGVPSFDAIEDPVRRLATETSHPEWLVKEWADAYGFEAAEKICRIHLIPPKQTLRVNQMKADRAELLDQMAAEGIEVEKGDLAEDAVKLLK-GT-IAGTHFFQNGEVSIQDESSMLVARALDPKSDETVLDACAAPGGKSAHIAELMKNKGSVTSLDLHKHKVKLIKEAADRLGLTIIHAETMDARKAGETF--ENEQFDRILVDAPCSGFGVIRRKPDMKYTKKPDDSARLAEIQLSILREIAPLVKKGGTLVYSTCTMDRTENDEVIHAFIQEHPDFEPDLSLEKR-LPE-KVRPFVRDGRLQILPHYFGTDGFFICSMRKKG 3AJD Chain:A ((9-274)) ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------KMQFIRVNTLKINPEVLKKRLENKGVVLEKT-FLDYAFEVKKSPFSIGSTPEYLFGYYMPQSISSMIPPIVLNPREDDFILDMCAAPGGKTTHLAQLMKNKGTIVAVEISKTRTKALKSNINRMGVLNTIIINADMRKYKDYLLKNEIFFDKILLDAPCS----------------EEDIKYCSLRQKELIDIGIDLLKKDGELVYSTCSMEVEENEEVIKYILQKRNDVELII-IKANEFKGINIKEGYIKGTLRVFPP---NEPFFIAKLRKI-

General information: TITO was launched using: RESULT: Template: 3AJD.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 : 1382 -121030 -87.58 -488.02 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : -87.58 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.519

(partial model without unconserved sides chains): PDB file : Tito_3AJD.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3AJD-query.scw PDB file : Tito_Scwrl_3AJD.pdb: