Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSQSFNRHRRLRTSKAMREMVKETRLHPSDFIYPIFVVEGLEGKKAVPSMPDVHHVSLDLLKDEVAELVKLGIQSVIVFGIPEE--KDDCGTQAYHDHGIVQKAITEIKEHFPEMVVVADTCLCEYTDHGHCGLV-KDGVILNDESLELLAQTAVSQAKAGADIIAPSNMMDGFVTVIREALDKEGFVN-IPIMSYAVKYSSEFYGPFRDAANSTPQFGDRKTYQMDPANRMEALREAQSDVEEGADFLIVKPSLSYMDIMRDVKNEFT-LPLVAYNVSGEYSMVKAAAQNGWIKEKEIVLEILTSMKRAGADLIITYHAKDAAKWLAE 5HNR Chain:A ((24-328)) -----------------------TTLNASNLIYPIFVTDVPDDIQPITSLPGVARYGVKRLEEMLRPLVEEGLRCVLIFGVPSRVPKDERGSAADSEESPAIEAIHLLRKTFPNLLVACDVCLCPYTSHGHCGLLS--GAFRAEESRQRLAEVALAYAKAGCQVVAPSDMMDGRVEAIKEALMAHGLGNRVSVMSYSAKFASCFYGPFRDAAKSSPAFGDRRCYQLPPGARGLALRAVDRDVREGADMLMVKPGMPYLDIVREVKDKHPDLPLAVYHVSGEFAMLWHGAQAGAFDLKAAVLEAMTAFRRAGADIIITYYTPQLLQWLK-

General information: TITO was launched using: RESULT: Template: 5HNR.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 : 1680 -67849 -40.39 -227.68 target 2D structure prediction score : 0.73 Monomeric hydrophicity matching model chain A : 0.84 3D Compatibility (PKB) : -40.39 2D Compatibility (Sec. Struct. Predict.) : 0.73 1D Compatibility (Hydrophobicity) : 0.84 QMean score : 0.586

(partial model without unconserved sides chains): PDB file : Tito_5HNR.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5HNR-query.scw PDB file : Tito_Scwrl_5HNR.pdb: