Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLDVHKDIKKIFHEEQVLAEAAARYGF-SKDQVRFL-ADAENYVYECMKDNQPYILKITHTIRRSSDYMMGEMEWLRHLAIG-GISVAKPLPSLNGKDVEAVPDGNGGSFLLRVYEKAPGQKVDESD-------WNETLFYELGRYTGSMHSLTKSYKLSNPAFKRQEWDEEEQLKL---RKYVPE-DQIKVFQQADSLMNEL-RRLPKSQDNYGLVHADLHHGNFNWDH--GK-ITAFDFDDIGYNWFVNDISILLYNVLWYPVVPYDDKAAFTEEFMTHFMKGYWEENELDPAWLMIIPDFLRLRHMLIYGLLHQMFDLNTIGEEEKEMLAGFRRDIENGTPITAFDFSALV 3SG8 Chain:A ((4-296)) -----------YTFDQVEKAIEQLYPDFTINTIEISGEGNDCIAYEIN---RDFIFKFPKHS-RGSTNLFNEVNILKRIHNKLPLPIPEVVFTGMPSE--------TYQMSFAGFTKIKGVPLTPLLLNNLPKQSQNQAAKDLARFLSELHSINISGFKSN---LVLDFREKINEDNKKIKKLLSRELKGPQMKKVDDFYRDILENEIYFKYYPCLIHNDFSSDHILFDTEKNTICGIIDFGDAAISDPDNDFISLMEDDE-----------EYGMEFVSKILNHYKHKDI--PTVLEKYRMKEKYWSFEKIIYGKEYG--------YMDWYEEGLNEIR--------------

General information: TITO was launched using: RESULT: Template: 3SG8.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 : 1209 -119705 -99.01 -435.29 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : -99.01 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.357

(partial model without unconserved sides chains): PDB file : Tito_3SG8.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3SG8-query.scw PDB file : Tito_Scwrl_3SG8.pdb: