Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MASQDYATPSKSIDAQALINDAPLSKYQWMIAIICFLIIFTDGIDTAAMGFIAPALAQDWGVDR--------SQLGPVMSAALGGMIIGALVSGTTADRFGRKIVLAFSMLVIGGFTLASAY------------------ATNLDSLVVLRFLTGIGLGAAMPNATTLFSEYCPTRIRSLLVTC----MFCGYNLGMATGGFI-----SSWLIPTYGWHSLFLLGGWSPLILMILVILVLPESYRFLIVKGKNPEKVRKILNHIAPAQIQNATAFHVPEEKTEVVQKKNVFGIMFSKPYAKGTVLLWVTYFMGLVVVYLLTSWLPTLMRETGASMERAAFIGGLFQFGGVVSALFIGWAMDKFN--PNRVIAIFYFAAGLFAIAVG---QSLGNLTLLAVLVLCAGIAINGAQSSMPALSARFYPTQCRATGVSWMTGIGRFGAVFGAWIGAVLLGNDWSFTAI---LSLLLIPATAAAVAVFIKSIVAHTDAT-- 4QIQ Chain:A ((7-470)) -------------------------SYIFSITLVATLGGLLFGYDTAVISGTVESLNTVFVAPQNLSESAANSLLGFCVASALIGCIIGGALGGYCSNRFGRRDSLKIAAVLFFISGVGSAWPELGFTSINPDNTVPVYLAGYVPEFVIYRIIGGIGVGLASMLSPMYIAELAPAHIRGKLVSFNQFAIIFGQLLVYCVNYFIARSGDASWLN-TDGWRYMFASECI-PALLFLMLLYTVPESPRWLM-----------------------------TLATQAVQEIKHSLDRLLMFGVGVIVIGVMLSIFQQFVGINVVLYYAPEVFKTLGASTDIALLQTIIVGVINLTFTVLAIMTVDKFGRKPLQIIGALGMAIGMFSLGTAFYTQAPGIVALLSMLFYVAAFAMSWGPVCWVLLSEIF-PNAIRGKALAIAVAAQWLANYFVSWTFPMMDKNSWLVAHFHNGFSYWIYGCMGVLAALFMWKFVPETKGKTL

General information: TITO was launched using: RESULT: Template: 4QIQ.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 : 1740 -260606 -149.77 -661.44 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.74 3D Compatibility (PKB) : -149.77 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.370

(partial model without unconserved sides chains): PDB file : Tito_4QIQ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4QIQ-query.scw PDB file : Tito_Scwrl_4QIQ.pdb: