Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEERFDWMTFGDDVSGAQAGSAAPPSTGADEDVPIFLREDVGMVRAGASHATAASESTGVDSENGAPAFLAVCPGADVAPRLSGGWSSEGSPVWDGSLRQQQKPSSTAALGHPGGAGDVQAAPSAALYADQPSAAVLHFTGDSGRSWGALHRVRILGKGSYGCATLYSMKDAASGGVEPTHAVVVKDINMQTMLNPAEEVLAVQNELKVLRTVLGHPNLVQYVDALFDTRPPTYPMSFIMMEYCAGGDLAAVMDGRRSDSATTNGAPSSPPSIPLAITTASTAAGPDILTEPC-----VASLFIQVAVALQSLHTEYGILHRDVKPHNIFLLEDGITVRLGDFGISTQLDRVGDTAKEACGSPYYMAPELFEERAYGAAADVWSLGVVFYQLIARQLPFTAASAAELRSL-VCRGRCTPLHDLQNEAASRYSRQFKELVSSLLTVDAAARPTLRRVLRHKYVRESLKYVPASVLTAKKPLPPARVPSAGAMPSSSLQRFSADGLYAGLFGSDVVEQAVSQAVHAGVYPIVSRVHSA 5DEW Chain:A ((15-274)) -------------------------------------------------------------------------------------------------------------------------------------------VGDPKKKYTRFEKI---GQGASG--TVYTAMDVATG-----QEVAIKQMNLQQ--QPKKELII--NEILVMREN-KNPNIVNYLDSYL-----VGDELWVVMEYLAGGSLT------------------------------------DVVTETCMDEGQIAAVCRECLQALEFLHSN-QVIHRNIKSDNILLGMDG-SVKLTDFGFCAQITPEQSKRSEMVGTPYWMAPEVVTRKAYGPKVDIWSLGIMAIEMIEGEPPYLNENP--LRALYLIATNGTP--ELQN--PEKLSAIFRDFLNRCLEMDVEKRGSAKELLQHQFLK-------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 5DEW.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 : 1198 -51886 -43.31 -204.27 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : -43.31 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.450

(partial model without unconserved sides chains): PDB file : Tito_5DEW.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5DEW-query.scw PDB file : Tito_Scwrl_5DEW.pdb: