Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MMNHQFSSLERDRMLTDMTKKTYDLFIIGGGITGAGTALDAASRGMKVALSEMQDFAAGTSSRSTKLVHGGLRYLK-QFEVKMVAEVGKERAIVYENGPH-----V-TTPEWMLLPFHKGGTFGSFTTSIGLRVYDFLAGVKKSERRSMLSAKETLQKEPLVKKDGLKGGGYYV-EYRTDDARLTIEVMKEAVKFGAEPVNYSKVKELLYEKGKAVGVLIEDVLTKKEYKVYAKKIVNATGPWVDQLREKDHSKNGKHLQHTKGIHLVFDQSVFPLKQAVYFDTPDGRMVFAIPRE-GKTYVGTTDTVYKEALEHPRMTTEDRDYVIKSINYMFPELNITANDIESSWAGLRPLIHEEGKDPSEISRKDEIWTSDSGLITIAG--G-KLTGYRKMAEHIVDLVRDRLKEEGEKDFGPCKTKNMPISGGHVGGSKNLMSFVTAKTKEGIAAGLSEKDAKQLAIRYGSNVDRVFDRVEALKDEAAKRNIPVHILAEAEYSIEEEMTATPADFFVRRTGRLFFDINWVRTYKDAVIDFMSERFQWDEQAKNKHTENLNKLLHDAVVPLEQ 1RYI Chain:A ((14-362)) ------------------MKRHYEAVVIGGGIIGSAIAYYLAKENKNTALFESGTMGGRTTSAAAGMLGAHAECEERDAFFDFAMHSQRLYKGLGEELYALSGVDIRQHNGGMFKLAFSEED-----------V-LQLRQMDDLDSVSWYSKEEVLEKEPYASGD-IFGASFIQDDVHVEPYFVCKAYVKAAKMLGAEIFEHTPVLHVERDGE-ALFIKTP------SGDVWANHVVVASGVWSGMFFKQLGL--NNAFLPVKGECLSVWNDDIPLTKTLY-----HDHCYIVPRKSGRLVVGATMKPGD---WSETPDLGGLESVMKKAKTMLP--AIQNMKVDRFWAGLRPGTKDGK--P-YIGRHP----EDSRILFAAGHFRNGILLAPATGALISDLIMNK-----------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 1RYI.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 : 1968 -169395 -86.07 -502.66 target 2D structure prediction score : 0.50 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : -86.07 2D Compatibility (Sec. Struct. Predict.) : 0.50 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.381

(partial model without unconserved sides chains): PDB file : Tito_1RYI.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1RYI-query.scw PDB file : Tito_Scwrl_1RYI.pdb: