Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEERFDWMTFGDDVSGAQAGSAAPPSTGADEDVPIFLREDVGMVRAGASHATAASESTGVDSENGAPAFLAVCPGADVAPRLSGGWSSEGSPVWDGSLRQQQKPSSTAALGHPGGAGDVQAAPSAALYADQPSAAVLHFTGDSGRSWGALHRVRILGKGSYG-CATLYSMKDAASGGVEPTHAVVVKDINMQTMLNPAEEVLAVQNELKVLRTVLGHPNLVQYVDALFDTRPPTYPMSFIMMEYCAGGDLAAVMDGRRSDSATTNGAPSSPPSIPLAITTASTAAGPDILTEPCVASLFIQVAVALQSLHTE----YGILHRDVKPHNIFLLEDGI-TVRLGDFGISTQLDRVGDTAKEACGSPYYMAPELFEERAYGAAADVWSLGVVFYQLIARQLPFTAASAAELRSLVCRGRCTPLHDLQNEAASRYSRQFKELVSSLLTVDAAARPTLRRVLRHKYVRESLKYVPASVLTAKKPLPPARVPSAGAMPSSSLQRFSADGLYAGLFGSDVVEQAVSQAVHAGVYPIVSRVHSA 5M57 Chain:A ((14-273)) -----------------------------------------------------------------------------------------------------------------------------------------------------------IGTGSYGRCQKIRRKSDGK--------ILVWKELDYGSMTEAEKQMLV--SEVNLLRE-LKHPNIVRYYDRIIDRTNTTL---YIVMEYCEGGDLASVI---------TKGTKER-----------------QYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFL--DGKQNVKLGDF----------------VGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRI-------PYRYSDELNEIITRMLNLKDYHRPSVEEILENPLILE------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 5M57.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 : 1055 -53224 -50.45 -223.63 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : -50.45 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.565

(partial model without unconserved sides chains): PDB file : Tito_5M57.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5M57-query.scw PDB file : Tito_Scwrl_5M57.pdb: