Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MENLQVKALPKEFLLGTATAAYQVEGATRVDGKGINMWDVYLQENSPF----LPDPASDFYYRYEEDIALAAEHGLQALRLSISWVRIFPDIDGDANVLAVHYYHRVFQSCLKHNVIPFVSLHHFDSPQKMLETGDWLNRENIDRFIRYARFCFQEFTE-VKHWFTINE-LMSLAAGQYIGGQFPPNHHFQLSEAIQANHNMLLAHALAVLEFHQLGIEG-KVGCIHALKPGYPIDGQKENILAAKRYDVYNNKFLLDGTFLGYYSEDTLFHLNQILEANNSSFIIEDGDLEIMKRAAPLNTMFVMNYYRSEFIREYKGENRQEFNSTGIKGQSSFKLNALGEFVKKPGIPTTDWDWNIYPQGLFDMLLRIKEEYPQHPVIYLTENGTALKEVKPEGENDIIDDSKRIRYIEQHLHKVLEARDRGVNIQGYFIWSLQDQFSWANGYNKRYGLFFVDYETQKRYIKKSALWVKGLKRN 5AYI Chain:A ((6-437)) --------FPADFVWGAATAAYQIEGAVREDGRGVSIWDTFSHTPGKIADGTTGDVACDSYHRYGEDIGLLNALGMNAYRFSIAWPRIVPLGAGPINQAGLDHYSRMVDALLGAGLQPFVTLYHWDLPQPLEDRLGWGSRATATVFAEYADIVVRQLGDRVTHWATLNEPWCSAMLGYYLGVHAP--GHTDLKRGLEASHNLLLGHGLAVQAMRAAAPQPLQIGIVLQLTPTYPASDSPEDVAAARRFDGFVNRWFLDPLAGRGYPQDMLDYYGAAAPQANPE--------DLTQIAAPLDWLGV-NYY----------ERMRAVDAPDASLPQAQRLD-------DPDLPHTA-DREVYPEGLYDILLRLHNDYPFRP-LYITENGCALHDEI--AEDGGIHDGQRQAFFEAHLAQLQRALAAGVPLKGYFAWSLLDNFEWAMGLSMRYGICYTNFETLERRIKDSGYWLR-----

General information: TITO was launched using: RESULT: Template: 5AYI.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 : 2553 -47106 -18.45 -110.84 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain A : 0.77 3D Compatibility (PKB) : -18.45 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.77 QMean score : 0.473

(partial model without unconserved sides chains): PDB file : Tito_5AYI.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5AYI-query.scw PDB file : Tito_Scwrl_5AYI.pdb: