Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MHPKSPTYSAPDPGLWPYLILDKVCAQVDADASQARLIKLTNNAVFALP-NS-HLVVRIAGSAAVGRSAGKVVDVARWLEHHDMP-TVRLAT-DVPQPLD-IEGHAVSLWELVSDTG----RSATARDIGHILRLFHSLNDAPDLP--PW-NTLGLIRSRLESAD---------V-LSS------AEHGFLVETADSIAADLDE------V-DFVLAPGPIHGDPFVGNLIPGPDG-PVLCDFDSTCVGPREWDLTPADVGRLR-FRYPGDYHGQLVEAYG----VDVLTWAGFPVFRRLRELKLVCSVLPVLATNPSVREQWRHRFDTFRSGDLEARWTTYR 4PDY Chain:A ((20-305)) ----------------APLIPQAVVSKYDLAIQQR---HADGNIEVWTDSKGRRYAAKRSSIA--PAHCRIMVQCLRHAQEQGFTKFARFVTTSSNAPYVRHGDFTYYVTEWVSGQPANFGLPEHVAQTAYTLAQFHEATRSFRTDWK--DDVFGLFQARWRDLRQMWLGADRKREKDAFDQLLLSMRDELHRDAAESLALFEDRDVIAYLEAERSSGGWCHLDVIPSNCLYTPQHQVVLIDFELARPAPRALDMAHLLRRSLERGNWDGHLAYACFLHFDAVRNIPKSEYRAVEAILRFPYLP---------------------------------------

General information: TITO was launched using: RESULT: Template: 4PDY.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 : 969 -15104 -15.59 -62.93 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : -15.59 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.312

(partial model without unconserved sides chains): PDB file : Tito_4PDY.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4pdy-query.scw PDB file : Tito_Scwrl_4PDY.pdb: