Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKTSVRDIALEALIKLEQNQAYSNLLLKSVIKSNELSDQNRGLLTELVYGTLQNKIALDYMLKPFINKPQKVKPWVIQLLRLSLYQMEYLEKIPDRAAIHEAVEIAKIRGHKGIASFVNGVLRSIQREGVPSFDAIEDPVRRLATETSHPEWLVKEWADAYGFEAAEKICRIHLIPPKQTLRVNQMKADRAELLDQMAAEGIEVEKG--DLAEDAVKLLKGTIAGTHFFQNGEVSIQDESSMLVARALDPKSDETVLDACAAPGGKSAHIAELMKNKGSVTSLDLHKHKVKLIKEAADRLGL---TIIHAETMDARKAGE-TFENEQ-FDRILVDAPCSGFGVIRRKPDMKYTKKPDDSARLAE-IQLSILREIAPLVKKGGTLVYSTCTMDRTENDEVIHAFIQEHPDFEPDLSLEKRLPE-KVRPFVRDGRLQILPHYFGTDGFFICSMRKKG 3A4T Chain:B ((11-273)) -----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------QFIRVNTLKINPEVLKKRLENKGVVLEKTFLDYAFE-VKKSPFSIGSTPEYLFGYYMPQSISSMIPPIVLNPREDDFILDMCAAPGGKTTHLAQLMKNKGTIVAVEISKTRTKALKSNINRMGVLNTIIINA---DMRKYKDYLLKNEIFFDKILLDAPCSG-N------DIKYC-----SLRQKELIDIGI-----DLLKKDGELVYSTCSMEVEENEEVIKYILQKRNDVELIIIKANEFKGINIKEGYIKGTLRVFPP---NEPFFIAKLRK--

General information: TITO was launched using: RESULT: Template: 3A4T.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1324 -100370 -75.81 -414.75 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain B : 0.67 3D Compatibility (PKB) : -75.81 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.546

(partial model without unconserved sides chains): PDB file : Tito_3A4T.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3A4T-query.scw PDB file : Tito_Scwrl_3A4T.pdb: