Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTATKMNAQEIIQFIANAEKKTSVKVTFEGQLATAVPSSVVKLGNVLFGDWKDVAPLLEGLVENQDYVVEQDARNSAVPLLDKRAINARIEPGAIIRDQVEIGDNAVIMMGAVINIGAEIGAGTMIDMGAILGGRAIVGKNSHVGAGAVLAGVIEPASAEPVRVGDNVLIGAN------------AVVIEGVQIGSGSVVA---AGAIVTQDVPE-NVVVAG-VPAR----------IIKEIDAQTQQKTALEDALRTL 3BXY Chain:A ((104-273)) ----------------------------------------------------------------------------------------RVVPPAAVRQGAFIARNTV-LMPSYVNIGAYVDEGTMVDTWATVGSCAQIGKNVHLSGGVGIGGVLEPLQANPTIIEDNCFIGARSEVVEGVIVEEGSVISMGVYIGQSTRIYDRETGDIHYGRVPAGSVVVSGNLPSKDGKYSLYCAVIVKKVDAKTR---GINELLRTI

General information: TITO was launched using: RESULT: Template: 3BXY.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 : 767 -107224 -139.80 -765.89 target 2D structure prediction score : 0.51 Monomeric hydrophicity matching model chain A : 0.69 3D Compatibility (PKB) : -139.80 2D Compatibility (Sec. Struct. Predict.) : 0.51 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.440

(partial model without unconserved sides chains): PDB file : Tito_3BXY.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3BXY-query.scw PDB file : Tito_Scwrl_3BXY.pdb: