Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQKLSEEMKQTIMDIFEHLHANPEVSWKEYETTSFLKQKLEDLGCRTRTFSDC-TGVVGEIGS--GSPVVAVRADIDAL--WQEVNGTFRAN-----HSCGHDSHMTMALGTLMLLKKQPELPKGTIRFIFQPAEEKGGGALKMIEEGVLDDIDYLYGVHVRPIQETQNGRCAPSILHGSSQHIEGTIIGEEAHGARPHLGKNSIEIAAFLVHKLGLIHIDPQIPHTVKMTKLQAGGESSNIIPGKASFSLDLRAQTNEAMEALIAETERACEAAAAAFGAKIELHKEHSLPAATQNKEAEAIMAEAITEIIGAERLDDPLV----TTGGEDFHFYAVKVPNLKTTMLGLGCGLQPGLHHPHMTFDRNAMFTGIHILANAVLKTFQKAESLAAANAS 1YSJ Chain:A ((34-385)) -----------LINMRRDLHEHPELSFQEVETTKKIRRWLEEEQIEILDVPQLKTGVIAEIKGREDGPVIAIRADIDALPIQEQTNLPFASKVDGTMHACGHDFHTASIIGTAMLLNQRRAELKGTVRFIFQPAEEIAAGARKVLEAGVLNGVSAIFGMHNKPDLPVGTIGVKEGPLMASVDRFEIVIKGK--------NSIDPIAAAGQIISG--------LQNAVVSITRVQA-GTSWNVIPDQAEMEGTVRTFQKEARQAVPEHMRRVAEGIAAGYGAQAEFKWFPYLP-SVQN---DGTFLNAASE--AAARLGYQTVHAEQSPGGEDFALYQEKIPGF---FVWMGTNGTEEWHHPAFTLDEEAL---------------------------

General information: TITO was launched using: RESULT: Template: 1YSJ.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 : 1706 -128531 -75.34 -402.92 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain A : 0.75 3D Compatibility (PKB) : -75.34 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.75 QMean score : 0.491

(partial model without unconserved sides chains): PDB file : Tito_1YSJ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1YSJ-query.scw PDB file : Tito_Scwrl_1YSJ.pdb: