Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKIFSTNTCPVPNDLESVIHHKDEVPAELCGMSEQQVQKIWKSIESLYKTGNYPLITFCLRRQGKILLNRSIGYAQGNSPAGLQENALIATPDTPVCLFSASKMITAMLIHLLDEKGEINLLDPVSYYIPEY----------GVNG--------KRRATIFHLLSHRGGIPY---VDGDVTPELL--------FDKDEILRRLYAARPVSPAGNHLAYHAVTAGYILGEIIERVTGQDLRKFVHETIEKPMDMP----YFNYGLKPEYRAEVALNCATGLHPRLGTDHYLNHVLGGGLQLAVDVTNDSRFMDTICPAGN--IYTSAEQAGRFFEMLLSGGSYQGKQILSEKTIFRAT----------------LPTTGVNIDRTLLIPMRYALGPMLGSNPVGLFGPMTGQAFGHLGFSNILCWADPERDISVSLLTTGKSVVGTHLPALANLLYQISIQCPRIPRDQRRSLFGSDSHETDLV 4IVI Chain:A ((91-421)) ------------------------------------------------------------------------------------------TAETIFRIYSMSKPITTVAAMMLVEEGKLQLDEPVSKYIPSFANVKVGVETKGENGMALETGPVKRAITIQDLMRHTSGITYGFVGDGLVKKAYIASNLFDGDFDNAEFAERIAKLPLVYQPGTTWDYGHSTD--ILGRVVEVVSGKSLYQFEKERLLDPLGMKDTGFYVTDPAKKSLVAEAMPN---------------DRKIGGSEMF------DPRVQKKWEPGGQGMVSTIGDYA-RFTQMVLNGGTLDGKRYLSPKTIAYMGSNHIPQASGIVPGAYYLPGPGVGFGLGFAVRTEAGVTPVEGSVGDLSWGGAGGTVF----------WIDPKENLTVVFMAPMVSPRARVWRTLRNIVY----------------------------

General information: TITO was launched using: RESULT: Template: 4IVI.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 : 1462 -10957 -7.49 -39.13 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : -7.49 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.492

(partial model without unconserved sides chains): PDB file : Tito_4IVI.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4IVI-query.scw PDB file : Tito_Scwrl_4IVI.pdb: