Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSWLSSLKSVFSPAQEVKEEEIQTVLQNYLLPDSKDALKERISQLQVQGRVLQLTINTFPDEKEYLQQIHDDLAGALQKCGIEELNLHVVQQKRPTQESSGQGCSSKAPKENSNLPPVLDASPKSEPDPNNPPIQKAALQQRDVPLHPRIKNVILVSSGKGGVGKSTTTVNLALALQKMGLKVGVLDADIYGPSIPTMLGNAGKTPLIESENFVPLDAYGMAVLSIGHLTGDNNTP--VAWRG------PKATGALMQLFNQTLWPDLDVLMIDMPPG---TGDIQLTLAQRIPVTGSIIVTTPQNVALLDATKGIELFNKVGIPVLGVVENMSTHICSNCGHEEQIFGIGGGDKLSEQYHIPLLARLPLNAQIREHADQGKPSVVAMDD--AADSYIDIAKAVWQQIEKIPQRTRDDKRIF 1HYQ Chain:A ((5-233)) ---------------------------------------------------------------------------------------------------------------------------------------------------------ITVASGKGGTGKTTITANLGVALAQLGHDVTIVDADITMANLELILGMEG-LP-VTLQNVLAGEARIDEAIYVGP-GGVKVVPAGVSLEGLRKANPEKLEDVLTQIMEST-----DILLLDAPAGLERSAVIAIAAAQEL-----LLVVNPEISSITDGLKTKIVAERLGTKVLGVVVNRITTLGIEMAKNE----------IEAILEAKVIGLIPEDPEVRRAAAYGKPVVLRSPNSPAARAIVELANYIA-----------------

General information: TITO was launched using: RESULT: Template: 1HYQ.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 : 1195 -46162 -38.63 -213.71 target 2D structure prediction score : 0.55 Monomeric hydrophicity matching model chain A : 0.69 3D Compatibility (PKB) : -38.63 2D Compatibility (Sec. Struct. Predict.) : 0.55 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.334

(partial model without unconserved sides chains): PDB file : Tito_1HYQ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1HYQ-query.scw PDB file : Tito_Scwrl_1HYQ.pdb: