Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDKPVDVVHNCWGNLFNKNSQNKHIDEKIDYNKQSEHEDQRRENMNIKIISVGKLKEKYLIQGINEYVKRLNAYAKIELIEVPDEKAPENLSEAQMRQVKEKEGERILAKIKEQEYVYALAIEGKNPTSESFAKQIDQLGIQGKSHLVFVIGGSLGLSEAVMK-RSNAQISFGKMTYP-HQLMRLILVEQIYRAFRINAGAPYHK 4MCB Chain:B ((80-156)) ----------------------------------------------------------------------------------------------------------------EGAKVIYLSPQGRKLDQGG-VTELAQ-----NQKLILVCGRYEGIDERLIQTEIDEEWSIGDYVLTGGELPAMTLIDAVARFI----------

General information: TITO was launched using: RESULT: Template: 4MCB.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 270 -18177 -67.32 -242.36 target 2D structure prediction score : 0.76 Monomeric hydrophicity matching model chain B : 0.67 3D Compatibility (PKB) : -67.32 2D Compatibility (Sec. Struct. Predict.) : 0.76 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.457

(partial model without unconserved sides chains): PDB file : Tito_4MCB.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4MCB-query.scw PDB file : Tito_Scwrl_4MCB.pdb: