Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence --------------------------------------------------------------MSTAGRYKHVVKLGEGTYGSVYKGTEIQTGKVVAFKRMVVTSDDEGVPGAAIREICLLKELRHDNVVDLFEVLFEPPKITMIFELCDCDLKRFMESRPKRLLDAEAEMRPILKQIFIGLEYLHSRSVVHRDMKPQNIFVNVRAPDFAALTASPSSRQDHLQPPPFSGVPTAVGGDVQSAAGSDGRPNPFAGADSVPPWEAAAAAPSNTPNQLIVKIGDFGLARVEEIPVKKYSHEVVTLWYRSPDVLMGSALYSYPVDIWSMGAIFFEMATSKVLFSGRHEDEQLLRMFWLLGSPTRETWPSMLSYPGAMERLERASRAAAERPDLRFGSEVYVQQQQQPPSSQSHSGGRAPDLLTQIAHKRFYHSLKAIQQREESARSSSNTYQLPVELWFDRPLFGEYMSATGFDSCVTAEGVNLLRQCLLYEPNHRITAAAAVRHAYLHAVSVPTAGALDVLMTSLLQTMEACHLL 4DN5 Chain:A ((8-351)) SVEEYLVHALQGSVSSGQAHSLTSLAKTWAARGSRSREPSPKTEDNEGVLLTEKLKPVDYEYREEVHWATHQLRLGRGSFGEVHRMEDKQTGFQCAVKKVRLEVFRA-------EELMACAGLTSPRIVPLYGAVREGPWVNIFMELLEGGSLGQLVKEQGCL--PEDRALYYLGQALEGLEYLHSRRILHGDVKADNVLLS-----------------------------------------SDGSH---------------------------AALCDFGHAVCLQIPG--------TETHMAPEVVLGRS-CDAKVDVWSSCCMMLHMLNGCHPWTQFFRGP-------------------------LCLKIASEPPPVREIPPS-----------------------------------------------------------------------------------CAPLTAQAIQEGLRKEPIHRVSAAELGGKVNRALQQV--GGLKSPWRGEYKEPRHP----

General information: TITO was launched using: RESULT: Template: 4DN5.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 : 1385 -6288 -4.54 -23.37 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.61 3D Compatibility (PKB) : -4.54 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.301

(partial model without unconserved sides chains): PDB file : Tito_4DN5.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4DN5-query.scw PDB file : Tito_Scwrl_4DN5.pdb: