Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTKKRITFGLLVLMVCVILFVLYVQLRNKDSIPVQSSAIHPEEDRIFFIYSNPFIKESVLLSTSTGERFNRRTFKVADVPYIQTKSYASTDLVLLAEHEPFYYTLEKDVIKEHPLSDPFAFWYEGKDVTIEAYNVDTTGNEIHINDRKTKKEYTLTLPPLVTMGASD-ENFIYIIQS----MSIYVIDRKTEEMIETLSLAS--YADQFADSEEFIVASS--DHKLTVIEKGTWKT-TYIAYPEDLEYADTVYYDKESGSFYVAYEDKEGGANLLEYGEDF-SI-HTYSLK---F---PYMEAKFKGNLLYIVAQEEHKKGIGGYVGVFDIHSKEMLYQFDLPEEQVKVQDFVVVDNK 2IWA Chain:A ((22-191)) ---------------------------------------------------------------------------------------------------------------------------------------------------------------FTQGLVYAENDTLFESTGLYGRSSVRQVALQTGKVENIHKMDDSYFGEGLTLLNEKLYQVVWLKNIGFIYDRRTLSNIKNFTHQ----MKDGWGLATDGKILYGSDG----TSILYEIDPHTFKLIKKHNVKYNGHRVIRLNELEYINGEVWANIW------QTDCIARISAKDGTLLGWILLP---------------

General information: TITO was launched using: RESULT: Template: 2IWA.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 : 844 -83542 -98.98 -549.62 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.56 3D Compatibility (PKB) : -98.98 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.56 QMean score : 0.443

(partial model without unconserved sides chains): PDB file : Tito_2IWA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2IWA-query.scw PDB file : Tito_Scwrl_2IWA.pdb: