Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSKIYVLDTNVLLQDPNAIFSFEENEVVIPAVVLEEVDSKKRYMDEVGRNARHVSKLIDALRQKGRLHEHVPLDTGGTLRIELNHRSFHQLQEIFIEKTNDNRILAVAKNLSLEEETKENGRPVILVSKDVLVRVKADAIGLLAEDFLNDRVVDNDEMYSGYKDLYISQQLFSSFYGKNQISVNDVKQHAFYPNQFALMKDELGGSSSAVGIADKTGTVLKRLVFDDEHIWGIRPKNVQQTMALELLLREDIPLVTLIGKAGTGKTLLALAAGLLQ-TEDLGIYKK--LVVARPIVPVGKDIGYLPGEKEEKLKPWMQPIFDNLEFLFNAKKPGELDAILAGIGSIQVEALTYIRGRSIPDQFIIIDEAQNLTRHEVKTLLTRVGEGSKIVLMGDPEQIDHPYLDSLNNGLAYVVERFKG-QPISGSVKLLKGERSGL-AQLAADLL 4NTC Chain:A ((2-326)) MSIGKLLSNG---------------ALLVDVLII-------------GAGPAGLSTATGLARQ---LHTAVVFDSG----VYRNAKTQHMHNVLGWDHRN-------------PAELRAAGRADLTTRYST-IQFQNSTIEAIRQVETNQLFEARD--NEGH-----------SWYGRKVVLATGVRDIPLDIEGYSEC--------WANGIY-------HCLFCD-----GYEERGQETVGVLAL------------GPIANPARALHLARMALRLSESVTIYTNGNEQLAKEIQQAAEE----SPVGASGLKFEARP-------IRRFEKGDVAKTVIVHLGE----------SESKTEGFLVYNPQTEVNGPFAKQLALNMTEGGDIL-------TTPPFYETSVPGVFAVGDCATPLKAVTPAVSMGSLAAGGLVAQLQAQAL

General information: TITO was launched using: RESULT: Template: 4NTC.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 : 1841 -143782 -78.10 -449.32 target 2D structure prediction score : 0.38 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : -78.10 2D Compatibility (Sec. Struct. Predict.) : 0.38 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.133

(partial model without unconserved sides chains): PDB file : Tito_4NTC.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4NTC-query.scw PDB file : Tito_Scwrl_4NTC.pdb: