Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPPPADIVKVAIEWPGAYPKLMEIDQKKPLSAIIKEVCDGWSLANHEYFALQHADSSNFYITEKNRNEIKNGTILRLTTSPAQNAQQLHERIQSSSMDAKLEALKDLASLSRDVTFAQEFINL--DGISLLTQMVESGTERYQKL--QKIM-KPC---FGDMLSFTLTAFVELMDHGIVSWDTFSV--AFIKKIASFVNKSAIDISILQRSLAILESMVLNSHDLYQKVAQEI-----------TIGQLIPHLQGS--DQEIQTYTIAVINALFLKAPDE-RRQEMANILAQKQLRSIILTHVIRAQRAINNEMAHQLYVLQVLTFNLLEDRMM---TK---M-DPQDQAQRDIIFELRRIAFDAESEPNNSSGSMEKRKSMYTRDYKKLGFINHVNPAMDFTQTPPGMLALDNMLYFAKHHQDAYIRIVLENSSREDKHECPFGRSSIELTKMLCEILKVGELPSETCNDFHPMFFTHDRSFEEFFCICIQLLNKTWKEMRATSEDFNKVMQVVKEQVMRALTTKPSSLDQFKSKLQNLSYTEILKIRQSERMNQEDFQSRPILELKEKIQPEILELIKQQRLNRLVEGTCFRKLNARRRQDKFWYCRLSPNHKVLHYGDLEESPQGEVPHDSLQDKLPVADIKAVVTGKDCPHMKEKGALKQNKEVLELAFSILYDSNCQLNFIAPDKHEYCIWTDGLNALLGKDMMSDLTRNDLDTLLSMEIKLRLLDLENIQIPDAPPPIPKEPSNYDFVYDCN 4YDH Chain:A ((123-397)) ------------------------------------------------------------------------------------------------LRELETSLRT-----NHIGWVQEFLNEENRGLDVLLEYLAFAQCSVTYDMSRKALRNSRIVSQKDDVHVCIMCLRAIMNY-QSGFSLVMNHPACVNEIALSLNNK--NPRTKALVLELLAAVCLVR-GGHDIILAAFDNFKEVCGEQHRFEKLMEYFRNEDSNIDFMVACMQFINIVVHSVENMNFRVFLQYEFTHLGLDLYLERLRLT----ESDKLQVQIQAYLDNIFD-VGALLEDTETKNAVLEHMEEL--QEQVALLTERLRDAENE----------S-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4YDH.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 : 873 -45600 -52.23 -201.77 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.58 3D Compatibility (PKB) : -52.23 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.58 QMean score : 0.163

(partial model without unconserved sides chains): PDB file : Tito_4YDH.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4ydh-query.scw PDB file : Tito_Scwrl_4YDH.pdb: