Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MIKKIYPIFTILLGAAIYAFGLTYFVVPHHLFEGGATGITLITFYLFKIPVSLMNLLINIPLFILAWKIFGAKSLYSSLLGTLALSAWLAFFEHIPLHIDLQGDLLITALIAGILLGI----GLGIIFNAGGTTGGTDILARILNKYTHISIGKLLFILDFCILMLILLIFKDLRLVSYTLLFDFIVSRVIDLIGEGGYAGKGFMIITKRPDQLAKAINDDLGRGVTFISGQGYYSKENLKIIYCIVGRNEIVKTKEMIHRIDPQAFITITEAHEILGEGFTFEKE 1BU6 Chain:O ((254-499)) --------LCVKEGMAKNTYGTGCFMLMNTGEKAVKSENGLLTTIACGPT--------GEVNYALEGAVFMAGASIQWLRDEMKLINDAYDSEYFATKVQNTNGVYVVPAFTGLGAPYWDPYARGAIFGLTRGVNANHIIRATLESIAYQTRDVLEAMQADSGIRL-----HALRVDGGAVANNFLMQFQSDILG----------TRVERPEV-----REVTALGAAYLAGLAVGFWQNLDELQEKAVIEREFRPGIE----TTERNYRYAGWKKAVKRAMAWEEH

General information: TITO was launched using: RESULT: Template: 1BU6.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain O - contact count / total energy / energy per contact / energy per residue : 1220 -112572 -92.27 -465.17 target 2D structure prediction score : 0.38 Monomeric hydrophicity matching model chain O : 0.62 3D Compatibility (PKB) : -92.27 2D Compatibility (Sec. Struct. Predict.) : 0.38 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.149

(partial model without unconserved sides chains): PDB file : Tito_1BU6.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1BU6-query.scw PDB file : Tito_Scwrl_1BU6.pdb: