Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSNHDLIHSTAIIDPSAVIASDVQIGPYCIIGPQVTIGAGTKLHSHVVVGGFTRIGQNNEIFQFASVGEVCQDLKYKGEETWLEIGNNNLIREHCSLHRGTVQDNALTKIGSHNLLMVNTHIAHDCIVGDHNIFANNVGVAGHVHIGDHVIVGGNSGIHQFCKIDSYSMIGGASLILKDVPAYVMASGNP-AHAFGINIEGMRRKGWSKNTIQGLREAYKLIFKSGLTSVQAIDQIKSEILPSVPEAQLLIDSLEQSERGIVR 5JXX Chain:C ((2-257)) -----TIHPTAIIDKSAMIADSAIIGPYCIVGKNSQIGAHTVLRSHVIIGENTKIGVHNDIYQFASIGENPQDLKYAGEQTYLEIGDHNRIREACTIHRGTVQDRGITRIGNQNLLMVNVHIAHDCVVGDDNVLANNVGVAGHAHIGNHVIIGGQSGVHQFCRIDDYSMVGGASLIVKDVAAYVMASG-NPAKAHGLNKEGMRRKGWSKDTIKALDEAYRLVFRSGLLRDEALDELTK-LVEKEPKIQLLIDSINNSKRGLVR

General information: TITO was launched using: RESULT: Template: 5JXX.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain C - contact count / total energy / energy per contact / energy per residue : 1514 -158324 -104.57 -620.88 target 2D structure prediction score : 0.46 Monomeric hydrophicity matching model chain C : 0.91 3D Compatibility (PKB) : -104.57 2D Compatibility (Sec. Struct. Predict.) : 0.46 1D Compatibility (Hydrophobicity) : 0.91 QMean score : 0.611

(partial model without unconserved sides chains): PDB file : Tito_5JXX.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5JXX-query.scw PDB file : Tito_Scwrl_5JXX.pdb: