Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLSHIYK-KEMIDALRDRKTILLTILVPMIMMLGLVFFYESMLSDKGEQYTLAVGHSLPPALESK-----LNEIDEISVKTFAKPEEAVDEGKADAYL---NVPKEFDSYVNSM--TPFKVDVY---GNSIDQGSSNAMQLVQSALDQYKNEIVQQR-------------LTNKHIDQSVIQPFTIQQKEADEEKGTSAIMLSAILPMLI--------------------------------------------------------------LTSIVSGAMPIALDIMA----------GEKDRKSIEALLLTPVSRNKVLVGKWLAVSTFGVASGVFALVFLILSTVLFTENLKTAFQLGDHMWS------------VIGASALIIVLSALLISA-MELFISIMSSSVKEAQSYMSL------VVFLPVFPM---------FFIFSKAPNQFDLSYFLIPFLNLHALFKQLLF----GMVDPATILSTSGTIAVLIAIFFLLARACFLKDKWVLPK-------------- 3ERR Chain:A ((3-529)) DLKRLRQEPEVFHRAIREKGVALD-LEALLAVDEQLHKQQEVIADKQMSVKEDLDKVEPAVIEAQNAVKSIKKQHLVEVRSMANPPAAVKLALESIALLLGESTTDWKQIRSIIMRENFIPTIVNFSAEEISDAIREKMKKNYMSNPSYNYEIVNRASLAAGPMVKWAIAQLNYADMLKRVEPLRNELQKLEDDAKDNQQKLEALLLQVPLPPWPGAPVGGEEANREIKRVGGPPEFSFPPLDHVALMEKNGWWEPRISQVSGSRSYALKGDLALYELALLRFAMDFMARRGFLPMTLPSYAREKAFLGTGHFPAYRDQVWAIA--ETDLYLTGTAEVVLNALHSGEILPYEALPLRYAGYAPAFRSEAGSFGKDVRGLMRVHQFHKVEQYVLTEASLEASDRAFQELLENAEEILRLLELPYRLVEVATGDMGPGKWRQVDIEVYLPSEGRYRETHSCSALLDWQARRANLRYRDPEGRVRYAYTLNNTA-LATPRILAMLLENHQLQDGRVRVPQALIPYMGKEVLEPG

General information: TITO was launched using: RESULT: Template: 3ERR.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 : 1418 -194041 -136.84 -507.96 target 2D structure prediction score : 0.44 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : -136.84 2D Compatibility (Sec. Struct. Predict.) : 0.44 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.143

(partial model without unconserved sides chains): PDB file : Tito_3ERR.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3ERR-query.scw PDB file : Tito_Scwrl_3ERR.pdb: