Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRIILLGPPGAGKGTQAQLICKRYNIPQISTGDMLRAAIREGTELGLKAKSVMESGGLVSDELIIGLVKERIAQPDCVNGCIFDGFPRTIPQAEALEKEGISIDHVIEIDVPDEEIVKRLSGRRQHPASGRVYHVVYNPPKVEGKDDETGEDLVQRPDDQEETIRKRLASYHTETEQLVGFYQGRAASGENAPTYDKLDGLRTIEDVQKDLFNILDK 2AK3 Chain:A ((7-212)) LRAAIMGAPGSGKGTVSSRITKHFELKHLSSGDLLRDNMLRGTEIGVLAKTFIDQGKLIPDDVMTRLVLHELKNL-TQYNWLLDGFPRTLPQAEALDRA-YQIDTVINLNVPFEVIKQRLTARWIHPGSGRVYNIEFNPPKTMGIDDLTGEPLVQREDDRPETVVKRLKAYEAQTEPVLEYYRKKGVL-------ETFSGTE-TNKIWPHVYAFLQ-

General information: TITO was launched using: RESULT: Template: 2AK3.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 : 843 -91123 -108.09 -442.34 target 2D structure prediction score : 0.70 Monomeric hydrophicity matching model chain A : 0.82 3D Compatibility (PKB) : -108.09 2D Compatibility (Sec. Struct. Predict.) : 0.70 1D Compatibility (Hydrophobicity) : 0.82 QMean score : 0.518

(partial model without unconserved sides chains): PDB file : Tito_2AK3.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2AK3-query.scw PDB file : Tito_Scwrl_2AK3.pdb: