Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MASQDYATPSKSIDAQALINDAPLSKYQWMIAIICFLIIFTDGIDTAAMGFIAPALAQDWG--------VDRSQLGPVMSAALGGMIIGALVSGTTADRFGRKIVLAFSMLVIGGFTLASA------------------YATNLDSLVVLRFLTGIGLGAAMPNATTLFSEYCPTRIRSLLVTCMFCGYNLGMATGGFISSWLIPT--------YGWHSLFLLGGWSPLILMILVILVLPESYRFLIVKGKNPEKVRKILNHIAPAQIQNATAFHVPEEKTEVVQKKNVFGIMFSKPYAKGTVLLWVTYFMGLVVVYLLTSWLPTLMRETGASMERAAFIGGLFQFGGVVSALFIGWAMDKFNPNRVIAIFYFAAGLFAIAVGQS---L-GNLTLLAVLVLCAGIAINGAQSSMPALSARFYPTQCRATGVSWMTGIGRFGAVFGAWIGAVLLGNDWSFTAILSLLLIPATAAAVAVFIKSIVAHTDAT 4GBY Chain:A ((9-429)) --------------------------YIFSITLVATLGGLLFGYDTAVISGTVESLNTVFVAPQNLSESAANSLLGFCVASALIGCIIGGALGGYCSNRFGRRDSLKIAAVLFFISGVGSAWPELGFTSINPDNTVPVYLAGYVPEFVIYRIIGGIGVGLASMLSPMYIAELAPAHIRGKLVSFNQFAIIFGQLLVYCVNYFIARSGDASWLNTDGWRYMFASECIPALLFLM-LLYTVPESPRWLMSRGKQEQ-AEGILRKIMGNTLATQAV---QEIKHSLDHGRKTGGRLLMFGVGVIVIGVMLSIFQQFVGINVVLYYAPEVFKTLGASTDIALLQTIIVGVINLTFTVLAIMTVDKFGRKPLQIIGALGMAIGMFSLGTAFYTQAPGIVALLSMLFYVAAFAMSWGPVCWVLLSEIFPNAIRGKALAIAVAAQWLANYFVSWTFPMM-------------------------------------

General information: TITO was launched using: RESULT: Template: 4GBY.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 : 1756 -234532 -133.56 -612.36 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.70 3D Compatibility (PKB) : -133.56 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.364

(partial model without unconserved sides chains): PDB file : Tito_4GBY.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4GBY-query.scw PDB file : Tito_Scwrl_4GBY.pdb: