Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MGAAAKLAFAVFLISCSSGAILGRSETQECLFFNANWEKDRTNQTGVEPCYGDKDKRRHCFATWKNISGSIEIVKQGCWLDDINCYDRTDCVEKKDSPEVYFCCCEGNMCNEKFSYFPEMEVTQPTSNPVTPKPPYYNILLYSLVPLMLIAGIVICAFWVYRHHKMAYPPVLVPTQDPGPPPPSPLLGLKPLQLLEVKARGRFGCVWKAQLLNEYVAVKIFPIQDKQSWQNEYEVYSLPGMKHENILQFIGAEKRGTSVDVDLWLITAFHEKGSLSDFLKANVVSWNELCHIAETMARGLAYLHEDIPGLKDGHKPAISHRDIKSKNVLLKNNLTACIADFGLALKFEAGKSAGDT-HGQVGTRRYMAPEVLEGAIN---FQRDAFLRIDMYAMGLVLWELASRCTAADGPVDEYMLPFEEEIGQHPSLEDMQEVVVHKKKRPVLRDYWQKHAGMAMLCETIEECWDHDAEARLSAGCVGERITQMQRLTNIITTEDIVTVVTMVTNVDFPPKESSL 3MDY Chain:A ((37-335)) ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------KQIQMVKQIGKGRYGEVWMGKWRGEKVAVKVFFTTEEASWFRETEIYQTVLMRHENILGFIAADIKGTGSWTQLYLITDYHENGSLYDYLKSTTLDAKSMLKLAYSSVSGLCHLHTEI--FSTQGKPAIAHRDLKSKNILVKKNGTCCIADLGLAVKFI--------PNTRVGTKRYMPPEVLDESLNRNHFQ--SYIMADMYSFGLILWEVARRCVSG-GIVEEYQLPYHDLVPSDPSYEDMREIVCIKKLRPSFPNRWSSDECLRQMGKLMTECWAHNPASRLTALRVKKTLAKMSESQDI-------------------------

General information: TITO was launched using: RESULT: Template: 3MDY.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 : 1552 -116181 -74.86 -406.23 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.68 3D Compatibility (PKB) : -74.86 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.226

(partial model without unconserved sides chains): PDB file : Tito_3MDY.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3mdy-query.scw PDB file : Tito_Scwrl_3MDY.pdb: