Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQNNSVQQANISIMSSFSGSKKVYVEGSSSDIQVPMREIALSPTTGSFGEEENAPVRVYDTSGPYTDPEVTINIQEGLKPLRQKWITER-GDVEEYEGRAIKPEDN--GYKKAK-PNVSYPGLKRKPLRAKAGQNVTQMHYAKKGIITPEMEFIAIREHVSPEFVRDEVASG---RAIIPSNINHPES-EPMIIGRNFHVKINANIGNSAVTSSIEEEVEKMTWAIRWGADTMMDLSTGKDIHTTREWIIRNCPVPVGTVPIYQALEKVNGVAEDLTWEIYRDTLIEQAEQGVDYFTIHAGVLLRYVPLTAKRTTGIVSRGGAIMAQWCLAHHQESFL-------------YTHFEEICEIMKMYDIAFSLGDGLRPGSIADANDEAQFA-------ELETLGELTQIAWKHDVQVMIEGPGHVPMHKIKENVDKQMDICKEAPFYTL-----GPLTTDIA--PGYDHITSAIGAAMIGWYGTAMLCYVTPKEHLGLPNRDD-----VREGVITYKIAAHAADLAKGHPGAQIRDDALSK------ARFEFRWRDQFNLSLDPER-ALEYHDETLPAEGAKTAHFCSMC----GPKFCSMRISQDIRDYAKKNDLSEAEAINKGLKEKAKEFVDTGSNLYQ 4Q86 Chain:A ((2-583)) -------------TQTFIPGKDAALEDSIARFQQKLSDLGFQIEEASWLNPVP---NVW--SVHIRDKECALCFTNGKGATKKAALASALGEYFERLSTNYFFADFWLGETIANGPFVHYPNEKWFPLTENDDVPEGLLDDRLRAFYDPENEL-------TGSMLID-LQSGNEDRGICGLPFTRQSDNQTVYIPMNIIGNLYVSNGMSAGNTRNEARVQGLSEVFERYVKNRIIAES-----------ISLPEIPADVLARYPAVVEAIETLEAEGFPIFAYD----GSLGGQYP------VICVVLFNPANGTCFASFGAHPDFGVALERTVTELLQGRGLKDLDVFTPPTFDDEEVAEHTNLETHFIDSSGLISWDLFKQDADYPFVDWNFSGTTEEEFATLMAIFNKEDKEVYIADYEHLGVYACRIIVPGMSDIYPAEDLWLANNSMGSHLRETILSLPGSEWEKEDYLNLIEQLDEEGFDDFTRVRELLGLATGSDNGWYTLRIGELKAMLALAGGDLEQALVWTEWTMEFNSSVFSPERANYYRCLQTLLLLAQEEDRQPLQYLNAFVRMYGADAVEAASAAMSGEAAFYGLQPVDSDLHAFAAHQSLLKAYEKLQRAKAAF------------

General information: TITO was launched using: RESULT: Template: 4Q86.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 : 2740 -162925 -59.46 -306.83 target 2D structure prediction score : 0.47 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : -59.46 2D Compatibility (Sec. Struct. Predict.) : 0.47 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.149

(partial model without unconserved sides chains): PDB file : Tito_4Q86.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4Q86-query.scw PDB file : Tito_Scwrl_4Q86.pdb: