Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPDNIRKAVGLILLVSLLSVGLCKPLKEYLLIPTQMRVFETQTQAIETSLSVNAQTSESSEAFTVKKDPHEIKVTGKKSGESELVYDLAGFPIKKTKVHVLPDLKVIPGGQSIGVKLHSVGVLVVGFHQINTSEGKKSPGETAGIEAGDIIIEMNGQKIEKMNDVAPFIQKAGKTGESLDLLIKRDKQKIKTKLIPEKDEGEGKYRIGLYIRDSAAGIGTMTFYEPKTKKYGALGHVISDMDTKKPIVVE-----NGEIVKSTVTSIEKGTGGNPGEKLARFSSERKTIGDINRNSPFGIFGTLHQPIQNNISDQALPVAFSTEVKKGPAEILTVIDDDKVEKFDIEIVSTTPQKFPATKGMVLKITDPRLLKETGGIVQGMSGSPIIQNGKVIGAVTHVFVNDPTSGYGVHIEWMLSEAGIDIYGKEKAS 4Q4D Chain:A ((7-323)) -----QIVVGICSMAKKSKSKPMKEILERISLFKYITVVVFEEEVILNEPVENWPLCDCLISFHSKGFPLDKAVAYAKLRNPFVINDL-------------NMQYLIQDRREVYSILQAEGILLPRYAILNRD--PNNPKECNLIEGED-HVEVNGEVFQK-----PFVEKP----------------------VSAED-----HNVYIYYPTSAGG-GSQRLFR-KIGSRSSVYSPESNVRKTGSYIYEEFMPTDGTDVKVYTV--------GPDYAHAEARKSPALDGKVERDSEG--------------KEVRYPVILNAREKLIAWKVCLAFKQ-TVCGFDLLRANG--------QSYVCDVNGFSFVKNS-----------MKYYDDCAKILGNIVMRELAPQF--HIPWS---------------

General information: TITO was launched using: RESULT: Template: 4Q4D.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 : 1619 -61211 -37.81 -196.19 target 2D structure prediction score : 0.42 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : -37.81 2D Compatibility (Sec. Struct. Predict.) : 0.42 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.159

(partial model without unconserved sides chains): PDB file : Tito_4Q4D.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4Q4D-query.scw PDB file : Tito_Scwrl_4Q4D.pdb: