Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKTRRKP-----------MKFMTLNTHSWLEPEP-------------EKKLQELADKILLEDYEVIALQEINQLLESEEVEPAKLMKFCPVKNQVPIRKDNFAYRLVQLLKEHGKEYFWSWEMSHIGYDKYEEGNALLTKKTLESQVLTVSQFQKKEDYQTRKILIGKTKIDDQDIFVSSCHFSW---WTDKKSGFYFEWKNLENYFLETRVPLFFLGDFNNPVDSQGYYTVRESCLLLQDSYVVANEKG----KAATVEKKID--------GWEQNTEKLR--IDFIFV-PEGMQVKKY-----QRIFDG------IDSPIISDHYGVEIELDVNE- 3NGQ Chain:A ((12-384)) LPPRPWITLKERDLPSASFTVMCYNVLCDKYATRQLYGYCPSWALNWEYRKKGIMEEIVNCDADIISLQEVETEQYFTLFLPA--LKERGYDGFFSPKSRAKIMSEQERKHVDGCAIFFKTEKFTLVQKHTVEFNQVAMANSDGSEAMLN-RVMTKDNIGVAVVLEVHKELFKQLLIVANAHMHWDPEYSDVKLIQTMMFVSEVKNILEKSIPLVLCADLNSLPDSGVVEYLSNGGVADNHKDFKECLMNFSCEGRITHGFQLKSAYENNLMPYTNYTFDFKGVIDYIFYSKTHMNVEGVLGPLDPQWLVENNITGCPHPHIPSDHFSLLTQLELHPP

General information: TITO was launched using: RESULT: Template: 3NGQ.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 : 1388 65047 46.86 231.48 target 2D structure prediction score : 0.51 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : 46.86 2D Compatibility (Sec. Struct. Predict.) : 0.51 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.252

(partial model without unconserved sides chains): PDB file : Tito_3NGQ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3NGQ-query.scw PDB file : Tito_Scwrl_3NGQ.pdb: