Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MMLDKDSVKAIDVQTASLQSYISSPEKQKSLYKRTLFVVSISQIFGGAGLAAGVTVGALIAQQM-LGTDAFAGLPSALFTLGSAGSALIVGRLSQRYGRRTGLSAGFMIGGLGAIGVIMAAI-I--------NSIFLL---FISLLIYGAGTATNL-----QARY-AGTDLANHKQRATAVSITMVFTTFGAVAGPSLVNVMGDFALSIGVPSLAGPFILAAAAYMLAGVVLFIMLRPDPLVIARTIEAANEEPGDKGHLAATEH-TENKKGIIVGATVMVLTQIVMVAIMTMTPVHMRH-HGHDLGAVGLVIGFHIGAMYLPSLVTGVLVDRLGRTAMAISSG----TTLLLAGVIAAFAPGESMILLVIALSLLGLGWNFGLISGTALIVDSTDTATRAKTQGTVDVLIALSGAAGGALSGMIVAGSSYLALSLIGGILSLLLIPVVVWSRGR 5AYN Chain:A ((7-412)) --------------------------------LRIETQLLLGRLLTRSGDQAWDFVVPFALLVIFPGKLQVAAFYYLIVKIGTFLLTPSSGKWIDTHPRIQVVKWGVWLQFFAILAGMVFFGMLDGLVRAGGRESWLLSVLFIALALSGVMASLGSQITDISVGNDLAPSLVAPEKLTHFNSWLRRIDLATEVGAPILAGALF----------PLAGLFLIGLWNLVSFVPEYFLLRNVIQRSGLKIKVLTEA--------INLRGSFSDPIFWLILSYALLWLSVLSPHGVLLAAYLKDEMRLPETEIGLFRGLGAVFGLISTVSFPYLVRRLGLISSSRWHLGFQGVTLGIAVTAFAMGSTASVYVFLGCILLSRVGLYGFSNGEFELRQRLIPEGRRGELNSLSSLTTTSATLILFSAGSLLPQTEDFKYLVYVSLAA--------------

General information: TITO was launched using: RESULT: Template: 5AYN.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 : 1602 -218712 -136.52 -597.57 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : -136.52 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.180

(partial model without unconserved sides chains): PDB file : Tito_5AYN.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5AYN-query.scw PDB file : Tito_Scwrl_5AYN.pdb: