Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKTLAEAYRQFDLTRLIEEQLVGHPQAINAYVECCERYVGKNKTALIWEGKNGQAEYYTFEQLAELSGKLANFFK-AQGIQAGDCIAGLLPRTPELLITILAAWRIGAIYQPLFTAFEAKSIDHRITTAQTKLIVTNDEQRPKLNSLNVPVIVTVHQTGLLSEHDFDFWQSLQRYSEQCEPVNRSVD----DDFLMMFTSGTTGLAKSVPVPLKAILAFKGYMTHA-VDLREEDMFWNLADPGWAYGLYYGITGPLSLGHSIIMDER-SFNVDQAMELIKKYKVSNLTGSPTAFRMFFGFKEKFDPSIKQHLRVVSSAGEPLTPEVVNWFKQDLEVNIFDQYGQTELGMVIANHHALEHPLKVGSAGFAIPGHRFAVLDQNYQELPTGGVGILAMDSEQ-SPLMWFKGYGGNNRKSFV---GKYYLTGDTVTLNEHGGIGFVGRADDVITTSGYRVGPFDVESTLLECEAVLESAVIGKPDPERTEIVKAFVVLKPAYQA--CETLKDKLQQYVRNRLSRHAYPKEIEFVDSLPKTTSGKIQRGLLKQQEIAKMQPYAS 3DAY Chain:A ((61-560)) --------------------------------------------ALWWVNGKGKELMWNFRELSENSQQAANVLSGACGLQRGDRVAVVLPRVPEWWLVILGCIRAGLIFMPGTIQMKSTDILYRLQMSKAKAIVAGDEVIQEVDTV-ASECPSLRIKLLVSEKSCDGWLNFKKLLNEASTTHHCVETGSQEASAIYFTSGTSGLPKMAEHSYSS-LGLKAKMDAGWTGLQASDIMWTISDTGWILNILCSLMEPWALGACTFVHLLPKFDPLVILKTLSSYPIKSMMGAPIVYRMLL--QQDLSSYKFPHLQNCVTVGESLLPETLENWRAQTGLDIRESYGQTETGLTCMVSKTMK--IKPGYMGTAASCYDVQIIDDKGNVLPPGTEGDIGIRVKPIRPIGIFSGYVDNPDKTAANIRGDFWLLGDRGIKDEDGYFQFMGRADDIINSSGYRIGPSEVENALMEHPAVVETAVISSPD--RGEVVKAFVVLASQFLSHDPEQLTKELQQHVKSVTAPYKYPRKIEFVLNLPKTVTGKIQRAKLRDKE---------

General information: TITO was launched using: RESULT: Template: 3DAY.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 : 2795 -2211 -0.79 -4.56 target 2D structure prediction score : 0.55 Monomeric hydrophicity matching model chain A : 0.76 3D Compatibility (PKB) : -0.79 2D Compatibility (Sec. Struct. Predict.) : 0.55 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.428

(partial model without unconserved sides chains): PDB file : Tito_3DAY.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3DAY-query.scw PDB file : Tito_Scwrl_3DAY.pdb: