Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQESNTLIFDVPDAFQVESIIGQGAYGAVCKAVF--CDDQIAVKKIPHYSRSEDTARRVLREIEILQNLQFCEQVVGCRLFFRPKSEEK--DVYVAMDYIPADLSSVIKNGAITLDESVVRYITCQLLLALRALHRCKVLHRDVSTRNILIHYNSQVFLCDFGLSRFFDPDEQLSFGVV----TQWYRAPEIILDAA-YSYASDVWSVGVILGELLLRRHLFPGKSNDSANQLQLIFHLVGTPSKDVFDADRSFGRASQNAKNYALAYIERRPCPSTLVNLLSTAPVLHHSAIAAVPPQAVQLAEQLLQFDPAKRPSADEALRHPWFDPCRAFIDEVVQHQDEEEIPVFTQTQNMNVEELVKRIEEVVPVFSEDLLVEDDGGGAAGSA 2B9H Chain:A ((5-309)) ------IVYNISSDFQLKSLLGEGAYGVVCSATHKPTGEIVAIKKIEPFDKPL-FALRTLREIKILKHFKH-ENIITIFNIQRPDSFENFNEVYIIQELMQTDLHRVISTQMLSDDH--IQYFIYQTLRAVKVLHGSNVIHRDLKPSNLLINSNCDLKVCDFGLARIID---------VEFVATRWYRAPEVMLTSAKYSRAMDVWSCGCILAELFLRRPIFPGR--DYRHQLLLIFGIIGTPHSD------NDLRCIESPR--AREYIKSLP-------MYPAAPL--EKMFPRVNPKGIDLLQRMLVFDPAKRITAKEALEHPYL-------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2B9H.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 : 1345 -71279 -53.00 -254.57 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.76 3D Compatibility (PKB) : -53.00 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.544

(partial model without unconserved sides chains): PDB file : Tito_2B9H.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2B9H-query.scw PDB file : Tito_Scwrl_2B9H.pdb: