Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSNHDLIHSTAIIDPSAVIASDVQIGPYCIIGPQVTIGAGTKLHSHVVVGGFTRIGQNNEIFQFASVGEVCQDLKYKGEETWLEIGNNNLIREHCSLHRGTVQDNALTKIGSHNLLMVNTHIAHDCIVGDHNIFANNVGVAGHVHIGDHVIVGGNSGIHQFCKIDSYSMIGGASLILKDVPAYVMASGNPAHAFGINIEGMRRKGWSKNTIQGLREAYKLIFKSGLTSVQAIDQIKSEI---LPSVPEAQLLIDSLEQSERGIVR 2AQ9 Chain:A ((7-262)) -----FVHPTAIVEEGASIGANAHIGPFCIVGPHVEIGEGTVLKSHVVVNGHTKIGRDNEIYQFASIGEVNQDLKYAGEPTRVEIGDRNRIRESVTIHRGTVQGGGLTKVGSDNLLMINAHIAHDCTVGNRCILANNATLAGHVSVDDFAIIGGMTAVHQFCIIGAHVMVGGCSGVAQDVPPYVIAQGNHATPFGVNIEGLKRRGFSREAITAIRNAYKLIYRSGKT----LDEVKPEIAELAETYPEVKAFTDFFARSTRGLIR

General information: TITO was launched using: RESULT: Template: 2AQ9.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 : 1568 -207948 -132.62 -821.93 target 2D structure prediction score : 0.48 Monomeric hydrophicity matching model chain A : 0.88 3D Compatibility (PKB) : -132.62 2D Compatibility (Sec. Struct. Predict.) : 0.48 1D Compatibility (Hydrophobicity) : 0.88 QMean score : 0.613

(partial model without unconserved sides chains): PDB file : Tito_2AQ9.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2AQ9-query.scw PDB file : Tito_Scwrl_2AQ9.pdb: