Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDKIVVQGGDNRLVGSVTIEGAKNAVLPLLAATILASEGKTVLQNVPILSDVFIMNQVVGGLNAKVDFDEEAHLVKVDATGDITEEAPYKYVSKMRASIVVLGPILARVGHAKVSMPGGCTIGSRPIDLHLKGLEAMGVKISQTAGYIEAKAERLHGAHIYMDFPSVGATQNLMMAATLADGVTVIENAAREPEIVDLAILLNEMGAKVKGAGTETITITGVEKLHGTTHNVVQDRIEAGTFMVAAAMTGGDVLIRDAVWEHNRPLIAKLLEMGVEVIEEDEGIRVRSQLENLKAVHVKTLPHPGFPTDMQAQFTALMTVAKGESTMVETVFENRFQHLEEMRRMGLHSEIIRDTARIVGGQPLQGAEVLSTDLRASAALILTGLVAQGETVVGKLVHLDRGYYGFHEKLAQLGAKIQRIEANDEDE 3R38 Chain:A ((25-446)) MEKIIVRGG-KQLNGSVKMEGAKNAVLPVIAATLLASKGTSVLKNVPNLSDVFTINEVLKYLNADVSFV-N-DEVTVDATGEITSDAPFEYVRKMRASIVVMGPLLARTGSARVALPGGCAIGSRPVDLHLKGFEAMGAVVKIENGYIEATAEKLVGAKVYLDFPSVGATQNIMMAATLAEGTTVIENVAREPEIVDLANFLNQMGARVIGAGTEVIRIEGVKELTATEHSIIPDRIEAGTFMIAAAITGGNVLIEDAVPEHISSLIAKLEEMGVQIIEE--GIRVIGP-DKLKAVDVKTMPHPGFPTDMQSQMMVIQMLSEGTSIMTETVFENRFMHVEEMRRMNADMKIEGHSVIISGPAKLQGAEVAATDLRAAAALILAGLVADGYTQVTELKYLDRGYNNFHGKLQALGADVERVDDSKVD-

General information: TITO was launched using: RESULT: Template: 3R38.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 : 2709 -289062 -106.70 -688.24 target 2D structure prediction score : 0.50 Monomeric hydrophicity matching model chain A : 0.89 3D Compatibility (PKB) : -106.70 2D Compatibility (Sec. Struct. Predict.) : 0.50 1D Compatibility (Hydrophobicity) : 0.89 QMean score : 0.576

(partial model without unconserved sides chains): PDB file : Tito_3R38.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3R38-query.scw PDB file : Tito_Scwrl_3R38.pdb: