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 3EQ6 Chain:B ((61-560)) --------------------------------------------ALWWVNGKGKELMWNFRELSENSQQAANVLSGACGLQRGDRVAVVLPRVPEWWLVILGCIRAGLIFMPGTIQMKSTDILYRLQMSKAKAIVAGDEVIQEVDTV-ASECPSLRIKLLVSEKSCDGWLNFKKLLNEASTTHHCVETGSQEASAIYFTSGTSGLPKMAEHSYSS-LGLKAKMDAGWTGLQASDIMWTISDTGWILNILCSLMEPWALGACTFVHLLPKFDPLVILKTLSSYPIKSMMGAPIVYRMLL--QQDLSSYKFPHLQNCVTVGESLLPETLENWRAQTGLDIRESYGQTETGLTCMVSKTMK--IKPGYMGTAASCYDVQIIDDKGNVLPPGTEGDIGIRVKPIRPIGIFSGYVDNPDKTAANIRGDFWLLGDRGIKDEDGYFQFMGRADDIINSSGYRIGPSEVENALMEHPAVVETAVISSPDPVRGEVVKAFVVLASQFLSHDPEQLTKELQQHVKSVTAPYKYPRKIEFVLNLPKTVTGKIQRAKLRDKE---------

General information: TITO was launched using: RESULT: Template: 3EQ6.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 : 2904 -3395 -1.17 -6.97 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain B : 0.76 3D Compatibility (PKB) : -1.17 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.421

(partial model without unconserved sides chains): PDB file : Tito_3EQ6.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3EQ6-query.scw PDB file : Tito_Scwrl_3EQ6.pdb: