Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKTTINQVYKHVGEEVTIGAWVANKRSSGKIAFLQLRDGTGFIQGVVVKAEVEESIFQTAKSVTQETSLYIKGIVKEDERSPLGYELAVTDIEVIHEA-TDYPITPKEHGTEFL---MDHRHLWLRSKRQHAIMKIRNEIIRATYEFFNNEGFVKVDPPILTGSAPEGTTELFATKYFDEDAYLSQSGQLYME-AAAMALGKVFSFGPTFRAEKSKTKRHLIEFWMIEPEMAFVEFEEN-LQVQENYVSFIVQSVLKNCKIELNTLGRDTSKLEQIKAPFPRITYDEAIEFLKEKGFDDIEWGDDFGAPHETAIA----EHYDKPV-FITRYPTSLKPFYMQPASDREDVVLCADLIAPEGYG-EIIGGSERIHDMELLESRLKEHGLDSDAYKWYAELRKYGSVPHSGFGLGLERTVAWISGAPHVRETIPFPRLLNRLYP 3NEN Chain:A ((16-438)) ------------GQKVKVAGWVWEVKDLGGIKFLWIRDRDGIVQITAPKKKVDPELFKLIPKLRSEDVVAVEGVVNFTPKAKLGFEILPEKIVVLNRAETPLPLDPTGKVKAELDTRLDNRFMDLRRPEVMAIFKIRSSVFKAVRDFFHENGFIEIHTPKIIATATEGGTELFPMKYFEEDAFLAQSPQLYKQIMMASGLDRVYEIAPIFRAEEHNTTRHLNEAWSIDSEMAFIEDEEEVMSFLERLVAHAINYVREHNAKELDIL---NFELEEPKLPFPRVSYDKALEILGDLG-KEIPWGEDIDTEGERLLGKYMMENENAPLYFLYQYPSEAKPFYIMKYDNKPEICRAFDL---EYRGVEISSGGQREHRHDILVEQIKEKGLNPESFEFYLKAFRYGMPPHGGFGLGAERLIKQMLDLPNIREVILFPRDRRRLTP

General information: TITO was launched using: RESULT: Template: 3NEN.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 : 2044 21456 10.50 52.20 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain A : 0.78 3D Compatibility (PKB) : 10.50 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.78 QMean score : 0.463

(partial model without unconserved sides chains): PDB file : Tito_3NEN.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3NEN-query.scw PDB file : Tito_Scwrl_3NEN.pdb: