Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence --------------------MEEALARHDRFGEDFSK--VFTIINSAEIPAVENSALYLFVGTSRAPDEASKYVRDRVAQ-NAQSSTLEETLHSIHEELKILSKKMTREDPMNLDPEIEAAL----YERDGG------CCFITGRTAGVQPIYIIPPSI---------LEDKDLQPGGYLRPLLEVSLTKEGTE------------QMLNLLGLPGRENVL------------------------KNLILMEPS--IRYSFRH------GYFE----IIKSPYLEPP----YLPTDAPKSKNGGWWLQPIAPQSEVPQIIPRNNELYKVPSTINPISHPLPARLLLKTHGIVSHPLHTIYIEEQIKAGWPVEPEPKELNWVGRLLLQILLRLIPNFARIRLYELIYKM-------------VDYWDPSQKGSHVKFLPLGLVLKKGRENTENEAKALTLAEQYISISTPRLIDS---VMVNKTSGFILMTKVVGRSLSSI--------LHRITWEELEQIG---------------------KDLANFITELRRIPNSSKYLIADTRGGPIS--------DHRFFYQTWGPFKTVSGFTDRLLQDVKGARDKPPLSFLYEKKHKVYFTHSDIHMTNLFVTCGRL-----SGVVDWENA---GFKPEYWEYIRAMWAYGADKHAKCLYGSAFGDKYKEEGGIEITAVWIGFSLTTFSGFSGLIFEQLIRLRN---------EYLPLAQGKISPDVNPGHLCSTAKTSYTSAFARWEAVPARPMPTSQSGPITAKDAFKG--------------------------- 4CKB Chain:A ((1-844)) MDANVVSSSTIATYIDALAKNASELEINNELELVFIKPPLITLTNVVNISTIQESFIRFTVTNKEGVKIRTKIPLSKVHGLDVKNVQLVDAIDNIVWEKKSLVTENRLHKECLLRLSTEERHIFLDYKKYGSSIRLELVNLIQAKTKNFTIDFKLKYFLGSGAQSKSSLLHAINHPKSRPNTSLEIEFTPRDNETVPYDELIKELTTLSRHIFMASPENVILSPPINAPIKTFMLPKQDIVGLDLENLYAVTKTDGIPITIRVTSNGLYCYFTHLGYIIRYPVKRIIDSEVVVFGEAVKDKNWTVYLIKLIEND-------RLEESKYVESKLVDICD----RIVFKSKKYEGPFTTTSEVVDMLSTYLPKQPEGVILFYSKGPKSNIDFKIKKENTIDQTANVVFRMSSEPIIFGESSIFVEYKKFSNDKGFPKEYGSGKIVLYNGVNYLNNIYCLEYINTHNEVGIKSVVVPIKFIAEFLVNGEILKPR-IDKTMKYINSEDYYGNQHNIIVEHLRDQSIKIGDINDKFRLNPEVTRGPLGILSNYVKTLLISMYCSKTFLDDSNKRKVLAIDFGNGADLEKYFYGEIALLVATDPDADAIARGNERYNKLN-SGIKTKYYKFDYIQETIRSDTFVSSVREVFYFGKFNIIDWQFAIHYSFHPRHYATVMNNLSELTASGGKVLITTMDGDKLSKLTDKKTFIIHKNLPSSENYMSVEKIADDRIVVYNPSTMSTPMTEYI-IKKNDIVRVFNEYGFVLVDNVDFATIIERSKKFING--ASTMEDRPSTRNFFELNRGAIKCEGLDVEDLLSYYVVYVFSKR

General information: TITO was launched using: RESULT: Template: 4CKB.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 : 3194 62072 19.43 100.44 target 2D structure prediction score : 0.42 Monomeric hydrophicity matching model chain A : 0.62 3D Compatibility (PKB) : 19.43 2D Compatibility (Sec. Struct. Predict.) : 0.42 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.143

(partial model without unconserved sides chains): PDB file : Tito_4CKB.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4ckb-query.scw PDB file : Tito_Scwrl_4CKB.pdb: