Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEERFDWMTFGDDVSGAQAGSAAPPSTGADEDVPIFLREDVGMVRAGASHATAASESTGVDSENGAPAFLAVCPGADVAPRLSGGWSSEGSPVWDGSLRQQQKPSSTAALGHPGGAGDVQAAPSAALYADQPSAAVLHFTGDSGRSWGALHRVRILGKGSYGCATLYSMKDAASGGVEPTHAVVVKDINMQTMLNPAEEVLAVQNELKVLRTVLGHPNLVQYVDALFDTRPPTYPMSFIMMEYCAGGDLAAVMDGRRSDSATTNGAPSSPPSIPLAITTASTAAGPDILTEPCVASLFIQVAVALQSLHTEYGILHRDVKPHNIFLLEDGITVRLGDFGISTQLDRVGD-TAKEACGSPYYMAPELFEERA----YGAAADVWSLGVVFYQLIARQLPFTAASAAELRSLVCRGRCTPLHDLQNEAASRYSRQFKELVSSLLTVDAAA--RPTLRRVLRHKYVRESLKYVPASVLTAKKPLPPARVPSAGAMPSSSLQRFSADGLYAGLFGSDVVEQAVSQAVHAGVYPIVSRVHSA 4WOT Chain:B ((69-338)) ---------------------------------------------------------------------------------------------------------------------------------------------------EDYDVVKVIGRGAFGE--VQLVRHKA-----SQKVYAMKLLSKFEMIK-RSDSAFFWEERDIMAF-ANSPWVVQLFYAFQDD-----RYLYMVMEYMPGGDLVNLMSNYD-------------------------------VPEKWAKFYTAEVVLALDAIHSM-GLIHRDVKPDNMLLDKHG-HLKLADFGTCMKMDETGMVHCDTAVGTPDYISPEVLKSQGGDGFYGRECDWWSVGVFLYEMLVGDTPFYADSLVGTYSKIMDHKNSL----CFPEDAEISKHAKNLICAFLTDREVRLGRNGVEEIRQHPFFKND-----------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4WOT.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1279 -101357 -79.25 -388.34 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain B : 0.63 3D Compatibility (PKB) : -79.25 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.472

(partial model without unconserved sides chains): PDB file : Tito_4WOT.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4WOT-query.scw PDB file : Tito_Scwrl_4WOT.pdb: