Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEERFDWMTFGDDVSGAQAGSAAPPSTGADEDVPIFLREDVGMVRAGASHATAASESTGVDSENGAPAFLAVCPGADVAPRLSGGWSSEGSPVWDGSLRQQQKPSSTAALGHPGGAGDVQAAPSAALYADQPSAAVLHFTGDSGRSWGALHRVRILGKGSYGCATLYSMKDAASGGVEPTHAVVVKDINMQTMLNPAEEVLAVQNELKVLRTVLGHPNLVQYVDALFDTRPPTYPMSFIMMEYCAGGDLAAVMDGRRSDSATTNGAPSSPPSIPLAITTASTAAGPDILTEPC-----VASLFIQVAVALQSLHTEYGILHRDVKPHNIFLLEDGITVRLGDFGISTQLDRVGDTAKEACGSPYYMAPELFEERAYGAAADVWSLGVVFYQLIARQLPFTAASAAELRSL-VCRGRCTPLHDLQNEAASRYSRQFKELVSSLLTVDAAARPTLRRVLRHKYVRESLKYVPASVLTAKKPLPPARVPSAGAMPSSSLQRFSADGLYAGLFGSDVVEQAVSQAVHAGVYPIVSRVHSA 5KBQ Chain:A ((10-269)) -------------------------------------------------------------------------------------------------------------------------------------------VGDPKKKYTRFEKI---GQGASG--TVYTAMDVATG-----QEVAIKQMNLQQ--QPKKELII--NEILVMREN-KNPNIVNYLDSYL-----VGDELWVVMEYLAGGSLT------------------------------------DVVTETCMDEGQIAAVCRECLQALEFLHSN-QVIHRNIKSDNILLGMDG-SVKLTDFGFCAQITPEQSKRSEMVGTPYWMAPEVVTRKAYGPKVDIWSLGIMAIEMIEGEPPYLNENP--LRALYLIATNGTP--ELQN--PEKLSAIFRDFLNRCLDMDVEKRGSAKELLQHQFLK-------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 5KBQ.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 : 1219 -59506 -48.82 -234.27 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : -48.82 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.481

(partial model without unconserved sides chains): PDB file : Tito_5KBQ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5KBQ-query.scw PDB file : Tito_Scwrl_5KBQ.pdb: