Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MMSLHRYKGKYMSNKRIAIIGAGPAGLMAAEVLSQYAYEIDVFEQKPSAARKFLMAGKTGLNISHAEPLPQFIERY-DHTEWLKPWVEKWDAVWIQKWMKSLGIESYVGTSGRIFPVEMKAAPLLRAWLKRLAEQQVKFFYRHRCINLQGTTVTLENQNNQSTETFTQQYDAVILACGAVSWSQLGSDGAWQQWMD--QSSIEPFQASNAGVLHTWSAFMESCFGEPLKRINAWVEPSQVTHGDIVITHYGLESGVIYKLGRALREQQKQGKSLNLFLDLLPDVELTQLVKKLQASKKQSLTNIW------RKAGLDTAKINLIREVVDKALWSQPETMAQKMKALQIKLDGFRPIEEAISCAGGVKQDALT-ESLELKQTSGVFCCGEMLDWDAPTGGYLLTACFATGRAAGEGVHSFLEK 4CNJ Chain:A ((1-386)) -----------MNHFDTIIIGGGPAGMMATISSSFYGQKTLLLEKNKRLGKKLAGTGGGRCNVTNNGNLDDLMAGIPGNGRFLYSVFSQFDNHDIINFFTENGVKLKVEDHGRVFPVTDKSRTIIEALEKKIAELGGTVITNTEIVSVKKTDELFTVRS--SDQAWTCQ--KLIVTTGGKSYPSTGSTGFGHDIARHFKHTVTDLEAAESPLLTDFP--HKALQGISLDDVTLSYGKHIITH-DLLFTHFGLSGPAALRLSSFVKGGE------TIYLDVLPQMSQQDLADFLEEHREKSLKNCLKILLPERIADFFTQPF---PEKVKQLNLSEKEALIKQIKELPISVTGKMSLAKSFVTKGGVSLKEINPKTLESKLVPGLHFAGEVLDINAHTGGFNITSALCTGWVAG---------

General information: TITO was launched using: RESULT: Template: 4CNJ.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 : 2118 -2484 -1.17 -6.61 target 2D structure prediction score : 0.47 Monomeric hydrophicity matching model chain A : 0.75 3D Compatibility (PKB) : -1.17 2D Compatibility (Sec. Struct. Predict.) : 0.47 1D Compatibility (Hydrophobicity) : 0.75 QMean score : 0.378

(partial model without unconserved sides chains): PDB file : Tito_4CNJ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4CNJ-query.scw PDB file : Tito_Scwrl_4CNJ.pdb: