Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDTSKFNQFVRDIYQTNNFIPLHEPRFLGNEKKYVLDTIDSTFVSSVGAYVNDFESKIQHFTGCAKAIATVNGTAALHIALLLAGVKRDDIVITQALTFVATCNALSYIGAEPLFIDVSLKTMGLCPKALDTYLQENAFLDDQGVCKHTATNKRISAIVPMHTFGHPVEIDELQEVVTRWNIALVEDAAESLGSYYKGKHTGIFGLVSALSFNGNKVITT-GGGGMVLCQDEELGVRAKHITTTAKIPHPYEFYHDENGFNYRLPNLNAALGCAQMESLEGFLSKKRDLAHQYQNFFKDTDISFFVEPENCQSNYWLNAIICKNKTQRDLILDETNSNKVMTRPIWT-LMTRLPMYENALQGDLTNSLWLEERVVNIPSSVPLE 3NU8 Chain:B ((12-345)) ------------------------ARIKDKIDAGIQRVLRHGQY-ILGPEVTELEDRLADFVGAKYCISCANGTDALQIVQMALGVGPGDEVITPGFTYVATAETVALLGAKPVYVDIDPRTYNLDPQLLEAAITP-----------------RTKAIIPVSLYGQCADFDAINAIASKYGIPVIEDAAQSFGASYKGKRSCNLSTVACTSFFPSKPLGCYGDGGAIFTNDDELATAIRQIARHGQDRR---YHHIRVGVNSRLDTLQAAILLPKLEIFEEEIALRQKVAAEYDLSLKQVGIGTPFIEVNNISVYAQYTVRM---DNRESVQASLKAAGVPTAVHYPIPLNKQPAVADE-KAKLPVGDKAATQVMSLPMHPYL-

General information: TITO was launched using: RESULT: Template: 3NU8.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 : 1946 -153756 -79.01 -463.12 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain B : 0.75 3D Compatibility (PKB) : -79.01 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.75 QMean score : 0.437

(partial model without unconserved sides chains): PDB file : Tito_3NU8.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3NU8-query.scw PDB file : Tito_Scwrl_3NU8.pdb: