Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ------------MEQQKKTAGKKAGSWSLLMGAAFLMATSAIGPGFLTQTAT-----------FTNTLAASFGFVILISIILDIF-AQTNVWRI--IAVSGKRGQEIANMVLPGLGYFIAILVVLGGLAFNIGN-IGGAGLGLQVLF-GITPETG-----ALISAVIAILIFVIKEAGKAMDRFTQIAGFVMIILTV--YVAATTAPPVGQAVANTF--VPEHISIFAIVT--LVGGTVGGYITFAGGHRLLDAGIKGKESIPQVTKSSVV-----GILITSVMRIALFLAVLGVVSKGLHIDESNPAASVFKLAAGNVGYKIFG------LIMWSAAI----TSVIGAAYTSVSFFKTFSPKIEKNSRGIIIGFIVVSTLAFVTIGQPAKILVLVGSLNGLILPIALGTLLVAAYKKNIVGDYKHPLWLTSTGALVVIVMAVMGIYTLCTQLPQLWS 1DFO Chain:A ((2-417)) LKREMNIADYDAELWQAMEQEKVRQEEHIELIASENYTSPRVMQAQGSQLTNKYAEGYPGKRYYGGCEYVDIVEQLAIDRAKELFGAD----YANVQPHSGSQANFAVYTALLEPGDTVLGMNLAHGGHLTHGSPVNFSGKLYNIVPYGID-ATGHIDYADLEKQAKEHKPKMIIGGFSAYSGVVDWAKMREIADSIGAYLFVDMAHVAGLVAAGVYPNPVPHAHVVTTTTHKTLAGPRGGLILAK--------G--GSEELYKKLNSAVFPGGQGGPLMHVIAGKAVALKEAMEPEFKTYQQQVAKNAKAMVEVFLERGYKVVSGGTDNHLFLVDLVDKNLTGKEADAALGRANITVNKNSVPNDPKSPFVTSGIRVGTPAITRRGFKEAEAKELAGWMCDVLD-SIN-------------------------DEAVIERIKGKVLDICARYPVY-A

General information: TITO was launched using: RESULT: Template: 1DFO.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 : 1949 -266362 -136.67 -735.81 target 2D structure prediction score : 0.42 Monomeric hydrophicity matching model chain A : 0.61 3D Compatibility (PKB) : -136.67 2D Compatibility (Sec. Struct. Predict.) : 0.42 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.276

(partial model without unconserved sides chains): PDB file : Tito_1DFO.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1DFO-query.scw PDB file : Tito_Scwrl_1DFO.pdb: