Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKFPKKLLPIAVLSSIAFSSLASGSVPEASAQEKKKGNQDEIKNVIVLIGDGMGVSYTSAYRYLKDNKKTK-VVEPTA-FDQY---LVGQQ-TTYPDDPEQNVTDSAAAATAMSAGIKTYNNAIAVDNDGSEAKTVLEAAKEKGKATGLVATSEITHATPASFGSHDHSRKNMNSIADDYFDEMVNGKHKIDVLLGGGKSNFDRKD------------------------RNLIKEFKKAGYSYVDDRKDMLKNKDSQVLGLFADGGLPKKIDRT-------KDIPSLKDMTNTAIKKLNKDKDGFFLMVEGSQIDWAGHDNDIVGAMSEMEDFEQAYKAAIDFAKKDKHTLVVATADHSTGGYSIGADGI-YN-----------------WF-------SEPIKAAKRTPDFMAEKIAD-----G--ADVEKTLKTYIDQKKLALTKAEIQSVEEAA------------------------KSKEVLDIDNAIENIFNKRSHTGWTTGGHTGEDVPVYAYGPSSE--TFAGQIDNTEIAKNVFKALQYNIKINDK 3WBH Chain:A ((31-527)) -----------------------------------------EVKNVILMIGDGMGPQQVGLLETYANQAPDSIYDGEPTAFHQLAKEGVVGFSLTHPE--DAVVVDSACSATQLASGIYSGSEVIGIDAEGNPVETVLELAQARGKATGLVSDTRLTHATPAAFAAHQPHRSLENEIAVDMLEV------GPDVMLSGGLRHWVPQSASEDAEVTSLMDGAYEPASKRQDDRNLLAEAVEKGYGLAFSREQLEADQSDKLLGLFANSGMADGIEYRNTRDDADRREPTLHEMTQAALNRLEQDEDGFFLMVEGGQIDWAGHSNDAGTMLNEMVKFEEAVQGVYDWAKGREDTVILVTADHETGAFGLSYSSADLPEPQSKSGPAFAERDYAPNFNFGDFALLDSLYHQKASFSTLLSEFGALEEEQRTPARLMEMVNANSD---FQIDEEQAEAVLADKPNPYHVEGHSYLEAEEVPAIQDFDAFYPYNDRGNVLGRVLGTAQNVVWGTGTHTHTPVNVFAWGPAETILPVSSIQHHSEVGQYLKSLVE--------

General information: TITO was launched using: RESULT: Template: 3WBH.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 : 2555 -138472 -54.20 -344.46 target 2D structure prediction score : 0.72 Monomeric hydrophicity matching model chain A : 0.74 3D Compatibility (PKB) : -54.20 2D Compatibility (Sec. Struct. Predict.) : 0.72 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.440

(partial model without unconserved sides chains): PDB file : Tito_3WBH.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3WBH-query.scw PDB file : Tito_Scwrl_3WBH.pdb: