Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTIQQEIFSILGIKGPVLLGEGSESQTYDYTADKVVKIYKGPVEQDNLDHLCSIYTWLSTHHLPFAVPEIYAIESH---EGTVYLIEKKLAGRPISAVY-AQLQMYERQRLLSNYLEAVRHLQGVVLPTQPYGSIFHAPGPSPVPYQSWRKFLRETAPLKLPQTQDDLR-QEGIDVARLLEKFFQDIENAPDTPEKNFVHGDYFFGNVLVDDE-LEISAVLDVSWWSVVGDHLMDIAGAVMFLDLYEYVTPQEIASLTQQALALYGPEILTAIRIYGVYYSLLLSDCKL--LDPAAYSWSIKRLREYMQ 3N4U Chain:A ((14-295)) ----EQLYPDFTINTIEISGEGNDCIAYEINRDFIFKFPKHSRGSTNLFNEVNILKRIHNK-LPLPIPEVVFTGMPSETYQMSFAGFTKIKGVPLTPLLLNNLPKQSQNQAAKDLARFLSELHSINISGFKSNLVLD-------FREKINEDN-KKIKKLL---SRELKGPQMKKVDDFYRDILENEI--YFKYYPCLIHNDFSSDHILFDTEKNTICGIIDFGD-AAISDPDNDFISLMEDDEE---YGMEFVSKILNHYKHKDIPTVLEKYRMKEKYWSFEKIIYGKEYGYMDWYEEGLNEI-----

General information: TITO was launched using: RESULT: Template: 3N4U.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 : 1177 -31770 -26.99 -115.95 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.67 3D Compatibility (PKB) : -26.99 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.400

(partial model without unconserved sides chains): PDB file : Tito_3N4U.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3n4u-query.scw PDB file : Tito_Scwrl_3N4U.pdb: