Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKTSVRDIALEALIKLEQNQAYSNLLLKSVIKSNELSDQNRGLLTELVYGTLQNKIALDYMLKPFINKPQKVKPWVIQLLRLSLYQMEYLEKIPDRAAIHEAVEIAKIRGHKGIASFVNGVLRSIQREGVPSFDAIEDPVRRLATETSHPEWLVKEWADAYGFEAAEKICRIHLIPPKQTLRVNQMKADRAELLDQMAAEGIEVEKG--DLAEDAVKLLKGTIAGTHFFQNGEVSIQDESSMLVARALDPKSDETVLDACAAPGGKSAHIAELMKNKGSVTSLDLHKHKVKLIKEAADRLGL---TIIHAETMDARKAGE-TFENEQ-FDRILVDAPCSGFGVIRRK-PDMKYTKKPDDSARLAE-IQLSILREIAPLVKKGGTLVYSTCTMDRTENDEVIHAFIQEHPDFEPDLSLEKRLPE-KVRPFVRDGRLQILPHYFGTDGFFICSMRKKG 3AJD Chain:A ((11-273)) -----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------QFIRVNTLKINPEVLKKRLENKGVVLEKTFLDYAFE-VKKSPFSIGSTPEYLFGYYMPQSISSMIPPIVLNPREDDFILDMCAAPGGKTTHLAQLMKNKGTIVAVEISKTRTKALKSNINRMGVLNTIIINA---DMRKYKDYLLKNEIFFDKILLDAPCS--------EEDIKYC-----SLRQKELIDIGI-----DLLKKDGELVYSTCSMEVEENEEVIKYILQKRNDVELIIIKANEFKGINIKEGYIKGTLRVFPP---NEPFFIAKLRK--

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 : 1291 -107162 -83.01 -444.65 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain A : 0.67 3D Compatibility (PKB) : -83.01 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.527

(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: