Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -----MSKIYVLDTNVLLQDPNAIFSFEEN---EVVIPAVVLEEVDSKKRYMDEVGRNARHVSKLIDALRQKGRLHEHVPLDTGGTLRIELNHRSFHQLQEIFIEKTNDNRILAVAKNL---SLEEETKENGRPVILVSKDVLVRVKADAIGLLAEDFLNDRVVDNDEMYSGYKDLYISQQLFSSFYGKNQISVNDVKQHAFYPNQFALMKDELGGSSSAVGIADKTGTVLKRLVFDDEHIWGIRPKNVQQTMALELLLREDIPLVTLIGKAGTGKTLLALAAGLLQTEDLGIYKKLVVARPIVPVGKDIGYLPGEKEEKLKPWMQPIFDNLEFLFNAKKPGELDAILAGIGSIQVEALTYIRGRSIPDQFIIIDEAQNLTRHEVKTLLTRVGEGSKIVLMGDPEQIDHPYLDSLNNGLAYVVERFKGQPISGSVKLLKGERSGLAQLAADLL 2HWW Chain:A ((1239-1418)) MELEIRPLFLVPDTNGFIDHLASLARLLESRKYILVVPLIVINELDGLAKGAGGYARVVQEKARKSIEFLEQRFESR------DSCLRALTSRGNELESIA-FRSENNDDLILSCCLHYCKDKAKDFMIRLLREVVLLTDDRNLRVKALTRNVPVRDIPAFLTWAQV----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2HWW.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 : 644 -72768 -112.99 -488.37 target 2D structure prediction score : 0.46 Monomeric hydrophicity matching model chain A : 0.54 3D Compatibility (PKB) : -112.99 2D Compatibility (Sec. Struct. Predict.) : 0.46 1D Compatibility (Hydrophobicity) : 0.54 QMean score : 0.409

(partial model without unconserved sides chains): PDB file : Tito_2HWW.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2HWW-query.scw PDB file : Tito_Scwrl_2HWW.pdb: