Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ---------------MNDEANKQLTDARFKRLVGVQRTTFEEMLAVLKTAYQLKHAKGGRKPKLSLEDLLMA---------TLQYV---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- 5CYK Chain:A ((13-487)) AQVKVIFTTTEPDLELPESKRQLLVPADIRRYGLSRILNSESMLD--TGSIPFDFLINGSFLRSSLEDYLTSNGLSLETTLTLQYVRSLIPPVYEASFEHDDWVSAVDVLSATSPAGRWSSAASSAAVQPGQERVLSASYDGLLRIWNASGSVIATSPSGSHGGHTASIKAAKFLTSDRLASAGMDRTVRVWKYTESDHFTGELKPTLELYGHTGSVDWLDVDGHSKHILTASADGAIGFWSASKASAPEPDASLLPGASTAQRGPLGLWSIHTAPATAAIFDPRDRTVAYSASQDHTVRTLDLTTGQVVSTLTLTHPLLSLSALTTTSPLLAAGTSARHITMVDPRASVMTLRGHANKVVSLSPSPENEYSLVSGSHDGTCRVWDLRSVRPATKEEGSLGGVSEPVYVIERESWASKGKKKRPVAGDGCKVFSVVWDKLGIFSGGEDKKVQVNRG

General information: TITO was launched using: RESULT: Template: 5CYK.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 : 164 8313 50.69 138.55 target 2D structure prediction score : 0.42 Monomeric hydrophicity matching model chain A : 0.52 3D Compatibility (PKB) : 50.69 2D Compatibility (Sec. Struct. Predict.) : 0.42 1D Compatibility (Hydrophobicity) : 0.52 QMean score : 0.153

(partial model without unconserved sides chains): PDB file : Tito_5CYK.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5CYK-query.scw PDB file : Tito_Scwrl_5CYK.pdb: