Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEERFDWMTFGDDVSGAQAGSAAPPSTGADEDVPIFLREDVGMVRAGASHATAASESTGVDSENGAPAFLAVCPGADVAPRLSGGWSSEGSPVWDGSLRQQQKPSSTAALGHPGGAGDVQAAPSAALYADQPSAAVLHFTGDSGRSWGALHRVRILGKGSYG-CATLYSMKDAASGGVEPTHAVVVKDINMQTMLNPAEEVLAVQNELKVLRTVLGHPNLVQYVDALFDTRPPTYPMSFIMMEYCAGGDLAAVMDGRRSDSATTNGAPSSPPSIPLAITTASTAAGPDILTEPCVASLFIQVAVALQSLHTE-YGILHRDVKPHNIFLLEDGI-TVRLGDFGISTQLDRVGDTAKEACGSPYYMAPELFEERAYGAAADVWSLGVVFYQLIARQLPFTAASAAELRSLVCRGRCTPLHDLQNEAASRYSRQFKELVSSLLTVDAAARPTLRRVLRHKYVRESLKYVPASVLTAKKPLPPARVPSAGAMPSSSLQRFSADGLYAGLFGSDVVEQAVSQAVHAGVYPIVSRVHSA 2XNO Chain:A ((14-273)) -----------------------------------------------------------------------------------------------------------------------------------------------------------IGTGSYGRCQKIRRKSDGK--------ILVWKELDYGSMTEAEKQMLV--SEVNLLRE-LKHPNIVRYYDRIIDRTNTTL---YIVMEYCEGGDLASVI---------TKGTKER-----------------QYLDEEFVLRVMTQLTLALKECHRRS-----RDLKPANVFL--DGKQNVKLGDF---------------FVGTPYYMSPEQMNR---NEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRI-------PYRYSDELNEIITRMLNLKDYHRPSVEEILENPLILE------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2XNO.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 : 992 -56508 -56.96 -244.62 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : -56.96 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.541

(partial model without unconserved sides chains): PDB file : Tito_2XNO.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2XNO-query.scw PDB file : Tito_Scwrl_2XNO.pdb: