Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKIIVTTCLLATGFLLTACGESQSSNESQQTTIQFMHSSVEQERLSVINELVADFEKENPDIKI--KQVPVEESAFNTKIVTLARSGKLPEVMEVSQDFAKVMDKDEL---IDQTAVQNVIEEAGEDNYYDGAKNLVRSEDGKSYIAAPISGWVQGIWYDKEKLSEAGFSEPENWDDILKIAQHFTDKENKQYGIAMPTAEGTMSEQAFSQFALSNGANVLDDEGEVT-IDTEKMREALSFYQNLSQYTMPGSNDVTEIKDAFMNGTAPMAIYSTYILPSVYEAGNSENIGFAIPTQKD-----QAVYGTVSGLTISSGLDEKQKEAAEAFTAFLSQPKNMEKWVLMSPGGAQPVNKQVVELDGYKENEVIKSFGELPSEIASAFDEVQVFGLVGEKNFTKMGDITSSGVIGKAVNQVTVGNEDVDQALADAQKNTK 1ELJ Chain:A ((10-327)) ------------------------------------IWHAMQPNELEVFQSLAEEYMALCPEVEIVFEQKPNLEDALKAAIPT----GQGPDLFIWAHDWIGKFAEAGLLEPIDEYVTEDLLNE-----FAPMAQDAMQYKG--HYYALPFAAETVAIIYNKEMVSEP----PKTFDEMKAIMEKYYDPANEKYGIAWP-----INAYFISAIAQAFGGYYFDDKTEQPGLDKPETIEGFKFFFTEIWPYMAPTGDYNTQQSIFLEGRAPMMVNGPWSINDVKKAGINFGVVPLPPIIKDGKEYWPRPYGGVKLIYFAAGI--KNKDAAWKFAKWLTTSEESIK-TLALELGYIPVLTKVLDDPEIKNDPVIYGFGQ-------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 1ELJ.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 : 1548 80770 52.18 263.09 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain A : 0.69 3D Compatibility (PKB) : 52.18 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.454

(partial model without unconserved sides chains): PDB file : Tito_1ELJ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1ELJ-query.scw PDB file : Tito_Scwrl_1ELJ.pdb: