Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MMSLHRYKGKYMSNKRIAIIGAGPAGLMAAEVLSQYAYEIDVF-EQKPSAARKFLMAGKTGLNISHAEPLPQFIERYDHTEWLKPWVEKWDAVWIQKWMKSLGIESYVGTSGRIFPVEMKAAPLLRAWLKRLAEQQVKFFYRHRCINLQGTTVTLENQNNQSTETFTQQYDAVILACGAVSWSQLGSDGAWQQWMDQSSIEPFQASNAGVLHTWSAFMESCFGEPLKRINAWVEPSQVTHGDIVITHYGLESGVIYKLGRALREQQKQGKSLNLFLDLLPDVELTQLVKKLQASKKQSLTNIWRKAGLDTAKINLIREVVD-------KALWSQPETMAQKMKALQIKLDGFRPIEEAISCAGGVKQDALTESLELKQTS--GVFCCGEMLDWDAPTGGYLLTACFATGRAAGEGVHSFLEK--- 4NTC Chain:A ((2-326)) -MSIGKLLSNGALLVDVLIIGAGPAGLSTATGLARQLHTAVVFDSGVYRNAKTQHMHNVLG---------------WDHR---------------------------------------NPAELRAAGRADLTTRYSTIQFQNSTIEAIRQVETNQLFEARDNEGHSWYGRKVVLATG-VRDIPLDIEGYSECWAN------------GIYHCLF-----CDG--------YEERGQETVGVLALGPIANPARALHLARMALR----LSESVTIYTN-----GNEQLAKEIQQAAEESPVG---ASGLKFEA-RPIRRFEKGDVAKTVIVHLGESESKTEGFLVYNPQTEVNGPFAKQLALNMTEGGDILTTP-PFYETSVPGVFAVG-----DCATPLKAVTPAVSMGSLAAGGLVAQLQAQAL

General information: TITO was launched using: RESULT: Template: 4NTC.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 : 1780 -35195 -19.77 -112.80 target 2D structure prediction score : 0.44 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : -19.77 2D Compatibility (Sec. Struct. Predict.) : 0.44 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.202

(partial model without unconserved sides chains): PDB file : Tito_4NTC.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4NTC-query.scw PDB file : Tito_Scwrl_4NTC.pdb: