Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKIAIAAITATSILALSACSSGDKEVIAKTDAGDVTKGELYTNMKKT----------------AGASVLTQLVQEKVLDK-----KYKVSDKEIDNKLKEYKTQLGD---QYTALEKQYGK--DYLKEQVKYELLTQKAAK----DNIKVTDADIKEYWEGLKGKIRASHILVADK------------KTAEE------------------------------------------------------------------------------------------------------------VEKKLKKG-EKFEDLAKEYSTDS-SASKGGDLGWF-AKEGQMDETFSKAAFKLKTGEVSDPVKTQYGYHIIKKTEERGK-YDDMKKELKSEVLEQKLNDNAAVQEAVQKVMKKADIEVKDKDLKDTFNTSSTSNSTSSSSSNSK 1M5Y Chain:A ((25-427)) -----------------------VDKVAAVVNNGVVLESDVDGLMQSVKLNAAQARQQLPDDATLRHQIMERLIMDQIILQMGQKMGVKISDEQLDQAIANIAKQNNMTLDQMRSRLAYDGLNYNTYRNQIRKEMIISEVRNNEVRRRITILPQEVESLAQQV-TELNLSHILIPLPENPTSDQVNEAESQARAIVDQARNGADFGKLAIAHSADQQALNGGQMGWGRIQELPGIFAQALSTAKKGDIVGPIRSGVGFHILKVNDLRGESKNISVTEVHARHILLKPSPIMTDEQARVKLEQIAADIKSGKTTFAAAAKEFSQDPGSANQGGDLGWATP--DIFDPAFRDALTRLNKGQMSAPVHSSFGWHLIELLDTRNVD------RAYRMLMNRKF-SE-EAASWMQEQRASAYVKILS------------------------

General information: TITO was launched using: RESULT: Template: 1M5Y.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 : 606 -44067 -72.72 -188.32 target 2D structure prediction score : 0.74 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : -72.72 2D Compatibility (Sec. Struct. Predict.) : 0.74 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.506

(partial model without unconserved sides chains): PDB file : Tito_1M5Y.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1M5Y-query.scw PDB file : Tito_Scwrl_1M5Y.pdb: