Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNEVSVIKEGWLHKRGEYIKTWRPRYFLLKSDGSFIGYKERPEAPDQTLPPLNNFSVAECQLMKTERPRPNTFVIRCLQWTTVIERTFHVDSPDEREEWMRAIQMVANSLKQRAPGEDPMDYKCGSPSDSSTTEEMEVAVSKARAKVTMNDFDYLKLLGKGTFGKVILVREKATGRYYAMKILRKEVIIAKDEVAHTVTESRVL-QNTRHPFLTALKYAFQTHDRLCFVMEYANGGELFFHLSRERVFTEERARFYGAEIVSALEYLHSRDVVYRDIKLENLMLDKDGHIKITDFGLCKEGISDGATMKTFCGTPEYLAPEVLEDNDYGRAVDWWGLGVVMYEMMCGRLPF--YNQDH-ERLFELILMEEIRFPRTLSPEAKSLLAGLLKKDPKQRLGGGPSDA-KEVMEHRFFLSINWQDVVQKKLLPPFKPQVTSEVDTRYFDDEFTAQSITITPPDRYDSLGLLELDQRTHFPQFSYSASIRE 3A8W Chain:A ((3-341)) -----------------------------------------------------------------------------------------------------------------------------------------------MDPLGLQDFDLLRVIGRGSYAKVLLVRLKKTDRIYAMKVVKKELVN----IDWVQTEKHVFEQASNHPFLVGLHSCFQTESRLFFVIEYVNGGDLMFHMQRQRKLPEEHARFYSAEISLALNYLHERGIIYRDLKLDNVLLDSEGHIKLTDYGMCKEGLRPGDT-TSFCGTPNYIAPEILRGEDYGFSVDWWALGVLMFEMMAGRSPFDI-----EDYLFQVILEKQIRIPRSLSVKAASVLKSFLNKDPKERLGCHPQTGFADIQGHPFFRNVDWDMMEQKQVVPPFKPNISGEFGLDNFDSQFTNEPVQL--PDDDDI--VRKIDQ-SEFEGFEY------

General information: TITO was launched using: RESULT: Template: 3A8W.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 : 1624 -46826 -28.83 -147.72 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.77 3D Compatibility (PKB) : -28.83 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.77 QMean score : 0.214

(partial model without unconserved sides chains): PDB file : Tito_3A8W.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3a8w-query.scw PDB file : Tito_Scwrl_3A8W.pdb: