Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLLWLFEQLAGYHSSFQVVRYLTLRSLLSVLTSLTIGLVLGPIMIRKLQALKYGQAVSSFAPENHAKKMGTPTMGGILILLSIGISTLLWADLSNPYVWIVLGVMVVFGAVGWADDWIKIRYKDNAGLPARKKFFWTSVASLGAGIALYLIATQQSNAEYTANMLDLLIPFFKNLSIPLSIVPLGLAFIVFTYLVINGASNAVNLTD------GLDGLAIMPVVMVATGLGVFAYLSGDIRFANYLHIPYV--KYTSELVVICSAMIGAGLAFLWYNAHPAQVFMGDVGALALGAMLGTIAVMVRQEIVFAIMGGVFVMEAVSVFLQIGSLRMRNKRVFLMAPLHHHYEKQGWKETQVVIRFWIITIMLVVLGLMTLKLR 1DXE Chain:A ((27-120)) ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------LSNPISTEVLGLAG--FDWLVLDGEHAPNDISTFIPQLMALKGSASAPVVRVPTNEPVIIKRLLDIGFYNFL-IPFVETKEEAELAVASTRYPPEGI-------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 1DXE.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 : 306 -22094 -72.20 -256.90 target 2D structure prediction score : 0.44 Monomeric hydrophicity matching model chain A : 0.46 3D Compatibility (PKB) : -72.20 2D Compatibility (Sec. Struct. Predict.) : 0.44 1D Compatibility (Hydrophobicity) : 0.46 QMean score : 0.175

(partial model without unconserved sides chains): PDB file : Tito_1DXE.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1DXE-query.scw PDB file : Tito_Scwrl_1DXE.pdb: