Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MADCILKMADITKKFSG---IRALDCVNLMIERGEIHALCGENGAGKSTLMNVLSGLYPYGSYDGEIFYDGKLCQFKDLKDSEEKGIVIIHQELALSPYLSIKENIFLGNEQAERGVIDWELTEKKTYELLNKVG--LSIDPNLLVSQIGVGQQQLVEIAKALSKSVRLLILDEPTAALNEEESANLLRLIRELKEQGVTSIIISHKLNEIVDIADRITILRDGQTIETLENEMISEE--------------------HIIRG-------------------------------MV-----GRD-------------------------------------------------------LVDRYP--E------------------------------------------------------------------------------------------------------------------R------K--------------------------------------------------------P----------------------------D-------------IGEVYFKVEDWTVYHPLD--HERIINDHINLHLKKGEIVGIAGLMGAGRTEFAMSLFGHSYGSKISGRILKEGAEISVKTVPSAIANGLAYVSEDRKSLGLNLLMDIRENVTLSSLDKISQKGVLDKEKEVTEAENFRKKMRIK-TNSIHQIVSSLSGGNQQKVVLSKWLMTQPDILFLDEPTRGIDVGAKYEIYTIIEEMAANGKAVCLISSELPEILGMCDRIYTMNEGRITGEVSREDADQEVLMKLMTKEEVG 5KO2 Chain:B ((386-1224)) ---GNLEFKNIHFSYPSRKEVQILKGLNLKVKSGQTVALVGNSGCGKSTTVQLMQRLYDPL--DGMVSIDGQDIRTINVR-YLREIIGVVSQEPVLFAT-TIAENIRYGREDVTMDEIEKAVKEANAYDFIMKLPHQFDTLVGERGAQLSGGQKQRIAIARALVRNPKILLLDQATSALDTESEAVVQAALDKAR-EGRTTIVIAHRLSTVRN-ADVIAGFDGGVIVEQGNHDELMREKGIYFKLVMTQTDVPPASFWRILKLNSTEWPYFVVGIFCAIINGGLQPAFSVIFSKVVGVFTNGGPPETQRQNSNLFSLLFLILGIISFITFFLQGFTFGKAGEILTKRLRYMVFKSMLRQDVSWFDDPKNTTGALTTRLANDAAQVKGATGSRLAVIFQNIANLGTGIIISLIYGWQLTLLLLAIVPIIAIAGVVEMKMLSGQALKDKKELEGSGKIATEAIENFRTVVSLTREQKFETMYAQSLQIPYRNAMKKAHVFGITFSFTQAMMYFSYAACFRFGAYLVTQQLMTFENVLLVFSAIVFGAMAVGQVSSFAPDYAKATVSASHIIRIIEKTPEIDSYSTQGLKPNMLEGNVQFSGVVF--NYPTRPSIPVLQGLSLEVKKGQTLALVGSSGCGKSTVVQLLERFY--DPMAGSVFLDGKEIKQLN-VQWLRAQLGIVSQEP----ILFDCSIAENIAYGDNSRVVSYEEIVRAAKEANIHQFIDSLPDKYNTRVGDKGTQLSGGQKQRIAIARALVRQPHILLLDQATSALDTESEKVVQEALDKARE-GRTCIVIAHRLSTIQ-NADLIVVIQNGKVKEHGTHQQLLA-------------

General information: TITO was launched using: RESULT: Template: 5KO2.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 : 1872 78439 41.90 165.13 target 2D structure prediction score : 0.49 Monomeric hydrophicity matching model chain B : 0.61 3D Compatibility (PKB) : 41.90 2D Compatibility (Sec. Struct. Predict.) : 0.49 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.382

(partial model without unconserved sides chains): PDB file : Tito_5KO2.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5KO2-query.scw PDB file : Tito_Scwrl_5KO2.pdb: