Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQSIKNTLRLYLLDWKRIFKNPIATLLIIAIMIIPSLYAWFNIKALWDPYGNTGELPIAVYSADKPAEFQGKEVAIGEQVIESLHKNKQLGWQFVDSKEQLEDGVRSGKYYAGIYLPKDFSEDLLSFTSGDIKKPKIEYTVNEKINAIAPKITDKGASSIQSQITNEFIKTASSTLLKVFNEIGYDIDTNLVSINKVKDMILSTDENLDTIDGYTKQVLELQSQLPEIK-EKLNKANEFVDYIPKVDEMGEKVVALNDKMPELKDQAKIILDLQEKIPEIQNAGKQLAEIDGD-------FASIQETMNQGIDEAKQGLTIIQQVQDILPDVKNLENQAS-------------------DLANQTKSGASQLKDAIPSITNSVDVTLKSIGQVATTTGSLIDTVRTAIEDGKLTDDEKKNISNVLNGFIDGISQQQNAIDKLVE-FLTKLQTSAGNTK---LQPIIDQLNQLKPLLSNLQNR--LSALNTAVQNEDTKAIDELLDQ-IDAVVNNINGIIAGINTGQISSTVTSLLDQVIDTIGTAQGALSKADQIDFDSLLSSTKATVTNAVAILEKYQKEMPAIGQEIHDANTMLNGNMDTIVNGINEGADLYNNELPIIQQKLGLAADFIQNDWPALKNEITGTLTTVNEKMPEVETAVNAAADLINNDWPNIKAGIQKAADAIRKGEQEVDLGEVIKLLKLDATKESDFFTQPVELQTNALYPIANNGSASTPFYTALCLWVGAVLLSSVATTEYYLGKKDRNNFTKREQFVARMLTFLTMAIAQSLIVTLGNIFLLGVDVQNPVYSVSFAVLIALAFMMIVYVLAALFDNVGKGIAIIILVLSISGGGGNYPIQVSGKFFQMINPFLPFTHAVNLLRESAGGIYWPNATKAIWIMIGLFVVFGIVGTAIYPFIEEKMTKFKEAAHESHIFH 4ZKT Chain:A ((427-763)) ------------------------------------------------------------------------------------------------------------------------------------------------------------------------IEINNGELFFVASENSYN-DDNINTPKEIDD-----NNYENDLD---QVILNFN--APGLSDEKLNLTIQNDAYIPKYDSNGTSDIEQHD-VNEL--NVFFYLDAQ-KVPEGENNVNLTSSIDTALLEQPKIYTFFSSEFINNVNKPVQAALFVSWIQQVLVDFTTEANQKSTVDKIADISIVVPYIGLALNIGNEAQKG--NFKDALELLGAGILLEFEPELLIPTI---LVFTIKSFLGS---SDNKNKVIKAINNALKERDEKWKEVYSFIVSNWMTKINTQFNKRKEQMYQALQNQVNAIKTIIESKYNSYTLEEKNELTNKYDIKQIENELNQKVSIAMNNID-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4ZKT.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 : 784 59091 75.37 203.06 target 2D structure prediction score : 0.44 Monomeric hydrophicity matching model chain A : 0.55 3D Compatibility (PKB) : 75.37 2D Compatibility (Sec. Struct. Predict.) : 0.44 1D Compatibility (Hydrophobicity) : 0.55 QMean score : 0.185

(partial model without unconserved sides chains): PDB file : Tito_4ZKT.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4ZKT-query.scw PDB file : Tito_Scwrl_4ZKT.pdb: