Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MVDGVMILPVLIMIALPSPSMEDEKPKVNPKLYMCVCEGLSCGNEDHCEGQQCFSSLSINDGFHVYQKGCFQVYEQGKMTCKTPPSPGQAVECCQGDWCNRNITAQLPTKGKSFPGTQNFHLEVGLIILSVVFAVCLLACLLGVALRKFKRRNQERLNPRDVEYGTIEGLITTNVGDSTLADLLDHSCTSGSGSGLPFLVQRTVARQITLLECVGKGRYGEVWRG---SWQGENVAVKIFSSRDEKSWFRETELYNTVMLRHENILGF--IASDMTSRHSSTQLWLITHYHEMGSLYDYLQLTTLDTVSCL-RIVLSIASGLAHLHIEIFGTQGKPAIAHRDLKSKNILVKKNGQCCIADLGLAVMHSQSTNQLDVGNNPRVGTKRYMAPEVLDETIQVDCFDSYKRVDIWAFGLVLWEVARRMVSNGIVEDYKPPFYDVVPNDPSFEDMRKVVCVDQQRP---NIPNRWFSDPTLTSLAKLMKECWYQNPSARLTALRIKKTLTKIDNSLDKLKTDC 6OKO Chain:B ((13-271)) --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------AVP-LVSR---EELKKLEFVGKGGFGVVFRAHHRTW-NHDVAVKIVNSK-KISW----EVKAMVNLRNENVLLLLGVTEDLQWDFVSGQA-LVTRFMENGSLAGLLQPEAPRPWPLLCRLLQEVVLGMCYLH------SLDPPLLHRDLKPSNILLDPELHAKLADF-----------------------LAYLDPELL---FKVN-LKASKASDVYSFGILVWAVLAGREAEL----------------------------RQSRPPLTELPPGSPETPGLEKLKELMIHCW-------------------------------

General information: TITO was launched using: RESULT: Template: 6OKO.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 : 943 -26109 -27.69 -123.15 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain B : 0.63 3D Compatibility (PKB) : -27.69 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.141

(partial model without unconserved sides chains): PDB file : Tito_6OKO.pdb: (Unconserved sides chains are recalculated) : Sequence: align-6oko-query.scw PDB file : Tito_Scwrl_6OKO.pdb: