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:B ((3-341)) -----------------------------------------------------------------------------------------------------------------------------------------------MDPLGLQDFDLLRVIGRGSYAKVLLVRLKKTDRIYAMKVVKKELVNDDEDIDWVQTEKHVFEQASNHPFLVGLHSCFQTESRLFFVIEYVNGGDLMFHMQRQRKLPEEHARFYSAEISLALNYLHERGIIYRDLKLDNVLLDSEGHIKLTDYGMCKEG---GDT-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 B - contact count / total energy / energy per contact / energy per residue : 1614 -40597 -25.15 -127.66 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain B : 0.77 3D Compatibility (PKB) : -25.15 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.77 QMean score : 0.211

(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: