Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQKLSEEMKQTIMDIFEHLHANPEVSWKEYETTSFLKQKLEDLGCRTRTFS-DCTGVVGEIGS--GSPVVAVRADIDALWQEVN-------GTFRANHSCGH---DSHMTMALGTLMLLKKQPELPKGTIRFIFQPAEEKGGGALKMIEEGVLDDIDYLYGVHVRPIQETQNGRCAPSI--LHGSSQHIEGTIIGEEAHGARPHLGKNSIEIAAFLVHKLGLIHIDPQIPHTVKMTKLQAGGESSNIIPGKASFSLDLRAQTNEAMEALIAETERACEAAAAAFGAKIELHKEHSLPAATQNKEAEAIMAEAITEIIGAERLDDPLVTTGGEDFHFYAVKVPNLKTTMLGLGCGLQPGLHHPHMTFDRNAMFTGIHILANAVLKTFQKAESLAAANAS 1YSJ Chain:A ((26-402)) ---ADKAFHTRLINMRRDLHEHPELSFQEVETTKKIRRWLEEEQIEILDVPQLKTGVIAEIKGREDGPVIAIRADIDALPIQEQTNLPFASKVDGTMHACGHDFHTASIIGTAML---LNQRRAELKGTVRFIFQPAEEIAAGARKVLEAGVLNGVSAIFGMHNKP--DLPVGTIGVKEGPLMASVDRFEIVIKGK--------NSIDPIAAAGQIISG--------LQNAVVSITRVQAGT-SWNVIPDQAEMEGTVRTFQKEARQAVPEHMRRVAEGIAAGYGAQAEFKWFPYLPSVQNDGTFLNAASEAAAR-LGYQTV-HAEQSPGGEDFALYQEKIPG-FFVWMGTNGT--EEWHHPAFTLDEEALTVASQYFAELAVIVLET----------

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 : 1938 -153382 -79.14 -447.18 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain A : 0.74 3D Compatibility (PKB) : -79.14 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.505

(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: