Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQIKIEGIHDDRLHRPLQNIANLFYEECELAYGGEEPADFVISLALSQTDEHVTVSGEVKGTGIKEQHTKFFSPDMTEKEAFKQVKNTISYVYLNLLQAHTGITQKWGILTGIRPTKLLHKKLQSGMSKEQAHAELKKDYLIHDEKIMLMQEIVDRQLAAVPDLYRVKDEVSIYIGIPFCPTKCAYCTFPAYAIQGQ-AGRVGSFLWGLHYEMQKIGE-WLKEHD-----------VKVTTIYF-GGGTPTSITAEEMDLLYEEMVRSFPDVKNIREITVEAGRPDTITEEKLAVLNKY-DIDRISINPQSYENETLKAIGR---HHTVEETIEKYHLSRQHGMNNINMDLIIGLPGEGVKEFRHSLSETEKLMPESLTVHTLSFKRASEMTRNKHKYKVAGREEVSQMMEDAVAWTKEHGYVPYYLYRQKNILGNLENVGYSLPGQESIYNIMIMEEVQTIIGIGCGAASKFIDRDTGKITHFANPKDPKSYNERFEHYTDEKIKYLEQIFEKTTKQH 2YX0 Chain:A ((79-310)) ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------AWCTHNCIFCWRPMENFLGTELPQPWDDPAFIVEESIKAQRKLLIGYKPKVDKKKFEEAWNPTHAAISLSGEPML-Y-PYMGDLVEEFHKR-G-----FTTFIVT-NGTIPE-RLEEMIKEDKLPTQLYVSITAPDIETYNSVNIPMIPDGWERILRFLELMRDLPTR-TVVRLTLV-KGENMHSPEKYAKLILKARPMFVEAKAYM------NRLTIN--NMPSHQDIREFAEALVKHLPGYH--------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2YX0.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 : 923 -77941 -84.44 -378.35 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain A : 0.58 3D Compatibility (PKB) : -84.44 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.58 QMean score : 0.351

(partial model without unconserved sides chains): PDB file : Tito_2YX0.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2YX0-query.scw PDB file : Tito_Scwrl_2YX0.pdb: