Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ---------MKAVTYQGIKNVVVKDVPDPKIEKSDDMIIKVTSTAICGSDLHLIHGFIPNMQEDYVIGHEPMGIVEEVGSGVTKLKKGDRVIIPFNIACGECFFCKNQLESQCDQSNDNGEMGAY------FGYSGQTGGYPGG---QAEYLRVPFANFTHFKIPESCEEPDEKLSVIADAMTTGFWSVDN-AGVKKGDTVIVLGCGPVGLFAQKFCWLKGAKRVIAVDYVNYRLQHAKRTNKVEIVNFEDHEN-TGNYLKEITKGGADVVIDAVGMDGKMSDLEFLASGLKLHGGTMSALVIASQAVRKGGTIQITGVYGGRYNGFPLGDIMQRNVNIRS-GQAPVIHYMPYMFELVSTGKIDPGDVVSHVLPLSEAKHGYDIFDSKMDDCIKVVLKP 3HUD Chain:A ((1-374)) STAGKVIKCKAAVLWEVKKPFSIEDVEVAPP-KAYEVRIKMVAVGICRTDDHVVSGN-LVTPLPVILGHEAAGIVESVGEGVTTVKPGDKVIPLFTPQCGKCRVCKNPESNYCLKNDLGNPRGTLQDGTRRFTCRGKPIHHFLGTSTFSQYTVVDENAVAKI----DAASPLEKVCLIGCGFSTGYGSAVNVAKVTPGSTCAVFGLGGVGLSAVMGCKAAGAARIIAVDINKDKFAKAKELGATECINPQDYKKPIQEVLKEMTDGGVDFSFEVIG------RLDTMMASLLCCHEACGTSVIVGVPPA-----------SQNLSINPMLLLTGRTWKGAVYGGFKSKEGIPKLVADFMAKKFSLDALITHVLPFEKINEGFDLLHS--GKSIRTVLTF

General information: TITO was launched using: RESULT: Template: 3HUD.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 : 2165 -12557 -5.80 -35.57 target 2D structure prediction score : 0.53 Monomeric hydrophicity matching model chain A : 0.72 3D Compatibility (PKB) : -5.80 2D Compatibility (Sec. Struct. Predict.) : 0.53 1D Compatibility (Hydrophobicity) : 0.72 QMean score : 0.432

(partial model without unconserved sides chains): PDB file : Tito_3HUD.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3HUD-query.scw PDB file : Tito_Scwrl_3HUD.pdb: