Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKGAAFV--KKEGLKQKALEIGRVPTHLKLEIEDYGGDDKRAHFCWADPQDENTGIIVELGPDGELESLSRDIEPESGERLSEEKLEDIMRQFVETHHPGALSAFVREENDRAYGDKVRFSYVQMEAGLPLPMSGFMADVSLSGEIVYFRYYGEAGSIIKPKRVADVEEALAFIKKDVEFDLLFEVLHRSVYKNGDDQPHLVYEPEGRAITVPADLVQEEQAVDDDDDYREPESFPLPLFEGIREKADPDSMIGIENGFVKEREADLGDGRIGIVWRNPDDPVYQPADKSMDSWFKGRTHQVLKTIYNKETGKLEGVMSFMEKKG-PLTVTLAECEKIALRFLFALFPNADQYFRIRYDEKDEEENAVAGFTFEAHCHGVPLRFGQIRICVSRQTGYITVYMGPDIDPNKLATIDPVPAISVEQAKSIFWQHFKVELGWEREYGDDEEHSYRLVYKPVYPHFIDAHTGEPVFSIW 4YLR Chain:A ((9-453)) TITANVAGTKFEIVRLVIDEMGFMKT---------PDEDETSNLIWCDSA------------------------------VQQEKISELQNYQRINHFPGM--------GEICRKDFLARNMTKMIKSRPLD------------------YTFVPRTWIFPAEYTQFQNYVKELKK-----------------KRKQKTFIVKPISLIRNSQDHLIVQEYI---EKPFLMEGYKFDLRIYILVTS-CDPLKIFLYHDGLVRMGTEKYIPG---------------------------------------SKRSIKWFTEFLQANQHDVAKFWSDISELVVKTLIVAEPHVLHAYRMCRPGQPPGSESVC---FEVLGFDILLD-------RKLKPWLLQINRAPSFGTDQKIDYDVKRGVLLNALKLLNIRTMGNYRRIYPPEDKALLEKYENLLAVAFQTFLSGR---------

General information: TITO was launched using: RESULT: Template: 4YLR.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 : 1593 -125380 -78.71 -382.25 target 2D structure prediction score : 0.50 Monomeric hydrophicity matching model chain A : 0.62 3D Compatibility (PKB) : -78.71 2D Compatibility (Sec. Struct. Predict.) : 0.50 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.232

(partial model without unconserved sides chains): PDB file : Tito_4YLR.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4YLR-query.scw PDB file : Tito_Scwrl_4YLR.pdb: