Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MMSLHRYKGKYMSNKRIAIIGAGPAGLMAAEVLSQYAYEIDVFEQKPSAARKFLMAGKTGLNISHAEPLPQ-FIERYDHTEWLKPWVEKWDAVWIQKWMKSLGIESYVGTSGRIFPVEMKAAPLLRAWLKRLAEQQVKFFYRHRCINLQGT--TVTLENQNNQSTETFTQQYDAVILACGAVSWSQLGSDGAWQQWMDQS--SIEPFQASNAGVLHTWSAFM---ESCF-GEPLKRINAWVEPSQVTHGDIVITHYGLESGVIYKLGRALREQQKQGKSLNLFLDLLPDVELTQLVKKLQAS-KKQSLTNIWRKAGL-DTAKINLIREV-VDK---AL--WSQPETMAQKMKALQIKLDGFRPIEEAISCAGGVKQDALTESLE-LKQTSGVFCCGEMLDWDAPTGGYLLTACFATGRAAGEGVHSFLEK 3V76 Chain:A ((28-417)) --------------QDVVIIGAGAAGMMCAIEAGKRGRRVLVIDHARAPGEKIRISGGGRCNFTNIHASPRNFLSG--NPHFCKSALARYRPQDFVALVERHGIGWHEKTLGQLFCD-HSAKDIIRMLMAEMKEAGVQLRLETSIGEVERTASGFRVTTSA------GTVDAASLVVASGGKSIPKMGATGLAYRIAEQFGLPVVETRPALVPLTLDQA-QLAKLG-ALAGVAA-DAEARFGK-AAFREAVLITHRGLSGPAILQISSYWREG------EEIVLRLMPDIDIASILKGMRRANGRQAVQTALADI-LPRRLAQFFADEAKLTGRMLADLSDKTIDALASSIQVWAVKPAGSEGYRTAEVTLGGVDTRALDSRTMQAKEVPGLYFVGECVDVTGWLGGYNFQWAWASGFVAGQDV------

General information: TITO was launched using: RESULT: Template: 3V76.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 : 2030 -17065 -8.41 -45.87 target 2D structure prediction score : 0.52 Monomeric hydrophicity matching model chain A : 0.73 3D Compatibility (PKB) : -8.41 2D Compatibility (Sec. Struct. Predict.) : 0.52 1D Compatibility (Hydrophobicity) : 0.73 QMean score : 0.316

(partial model without unconserved sides chains): PDB file : Tito_3V76.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3V76-query.scw PDB file : Tito_Scwrl_3V76.pdb: