Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEERFDWMTFGDDVSGAQAGSAAPPSTGADEDVPIFLREDVGMVRAGASHATAASESTGVDSENGAPAFLAVCPGADVAPRLSGGWSSEGSPVWDGSLRQQQKPSSTAALGHPGGAGDVQAAPSAALYADQPSAAVLHFTGDSGRSWGALHRVRILGKGSYGCATLYSMKDAASGGVEPTHAVVVKDINMQTMLNPAEEVLAVQNELKVLRTVLGHPNLVQYVDALFDTRPPTYPMSFIMMEYCAGGDLAAVMDGRRSDSATTNGAPSSPPSIPLAITTASTAAGPDILTEPC-----VASLFIQVAVALQSLHTEYGILHRDVKPHNIFLLEDGITVRLGDFGISTQLDRVGDTAKEACGSPYYMAPELFEERAYGAAADVWSLGVVFYQLIARQLPFTAASAAELRSL-VCRGRCTPLHDLQNEAASRYSRQFKELVSSLLTVDAAARPTLRRVLRHKYVRESLKYVPASVLTAKKPLPPARVPSAGAMPSSSLQRFSADGLYAGLFGSDVVEQAVSQAVHAGVYPIVSRVHSA 4O0R Chain:A ((16-274)) --------------------------------------------------------------------------------------------------------------------------------------------GDPKKKYTRFEKI---GQGASG--TVYTAMDVATG-----QEVAIKQMNLQQ--QPKKELII--NEILVMREN-KNPNIVNYLDSYL-----VGDELWVVMEYLAGGSLT------------------------------------DVVTETCMDEGQIAAVCRECLQALEFLHSNQ-VIHRNIKSDNILLGMDG-SVKLTDFGFCAQITPEQSKRSEMVGTPYWMAPEVVTRKAYGPKVDIWSLGIMAIEMIEGEPPYLNENP--LRALYLIATNGTP--ELQN--PEKLSAIFRDFLNRCLEMDVEKRGSAKELLQHQFLK-------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4O0R.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 : 1215 -59434 -48.92 -234.92 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : -48.92 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.457

(partial model without unconserved sides chains): PDB file : Tito_4O0R.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4O0R-query.scw PDB file : Tito_Scwrl_4O0R.pdb: