Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLKLPEDFIFGGATAAYQVEGATKEGGKGAVAWDDFLEEQGRFSP----DPASDFYHQYAKDIELCERFGVNGLRLSIAWSRIFPDGAGKPNPEGIAFYHRVFEECKKRNVTPFVTLHHFDTPKRLFDHGDFLNRETIEAFVSYAIFCFHEFKE-VKVWSTFNEIYPVATNQYLLGVFPPGIKYDFTKIVACLHNMMVAHARVVNYFKENE-LPGEIGVVHSLETKYAATDAPEDKHAAFLDDALSIRFLLDATYLGYYSTETLTALDEICEANQASYHFPEEDFVELKKASTRNDYLGINHYQCHFVKAYDGENAIHHNGTGEKGTSVYKVKGIGERIYKEGIPRTDWDWLIYPEGLYDLLLRIKSDYPHYNKIYITENGMGYKDQF-EDGIIMDQPRIDYLRVYLESLSKAITAGVNVKGYFLWSLMDLFSWTNGYNKRYGLFYVDFETQKRYPKESAYWYKLVSETKTII 5AYI Chain:A ((5-437)) --RFPADFVWGAATAAYQIEGAVREDGRGVSIWDTFSHTPGKIADGTTGDVACDSYHRYGEDIGLLNALGMNAYRFSIAWPRIVPLGAGPINQAGLDHYSRMVDALLGAGLQPFVTLYHWDLPQPLEDRLGWGSRATATVFAEYADIVVRQLGDRVTHWATLNEPWCSAMLGYYLGVHAPG-HTDLKRGLEASHNLLLGHGLAVQAMRAAAPQPLQIGIVLQLTPTYPASDSPEDVAAARRFDGFVNRWFLDPLAGRGYPQDMLDYYGAAA---------PQANPEDLTQIAAPLDWLGVNYYE--RMRAVDAPDA-----------SLPQA----QRLDDPDLPHTA-DREVYPEGLYDILLRLHNDYP-FRPLYITENGCALHDEIAEDGGIHDGQRQAFFEAHLAQLQRALAAGVPLKGYFAWSLLDNFEWAMGLSMRYGICYTNFETLERRIKDSGYWLR---------

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 : 2556 -48599 -19.01 -114.08 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.78 3D Compatibility (PKB) : -19.01 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.78 QMean score : 0.548

(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: