Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MIGTEKVTALKAKHQSKSSTGLSWFERIGYGFGDMSYNIIFQFVNAYLLFYYTDVGGIQPAVIATLFLVVRVLDAIFDPIMGLILDKTNTRWGKARPYLLWVAFPFALFTFLCFTTPH-F-----GETGNMVYA---YVTYILLGMSFSMQT----I-PVNSLTGRMTNSVEERTVLTTTRMILVYIGILLSISCATPLATAIGGEDQAFGFQMT---ALIYAAVSIVLNLFSFFTVRERIQPK---K---R--KKQGIKKTLSV-LFKNKPLLMLISSFLAFAIGFNIKLSTMVYYFTYNVNHKE-FVFMGTVLFFGAALISNLFIPFFSEKWGRKQVMIITA----ALSLISYAGLHFT-PYSSIPLIFIWLF-ASGFFTTPLNTLAWGMVADCVDYAEWKTGIRADGVVISSMSFINKLGVALAGSFSAIYLGIAGYVANTDQTVASLNAIKNMNALIPGFFILLSIILIAFYPLTEKRYKHIISELEQRSAR 5AYN Chain:A ((9-399)) -------------------------IETQLLLGRLLTRSGDQAWDFVVPFALLVIFPGKLQVAAFYYLIVKIGTFLLTPSSGKWIDT----HPRIQVVK-WGVWLQFFAILAGMVFFGMLDGLVRAGGRESWLLSVLFIALALSGVMASLGSQITDISVGNDLAPSLVAP-EKLTHFNSWLRRIDLATEVGAPILAGALF--------------PLAGLFLIGLWNLVSFVPEYFLLRNVIQRSGLKIKVLTEA------IN-LRGSFSDPIFWLILSYALLWLSVLSPHGVLLAAYLKDEMRLPETEIGLFRGLGAVFGLISTVSFPYLVRRLGLISSSRWHLGFQGVTLGIAVTAFAMGSTASV-Y-VFLGCILLSRVGLYGFSNGEFELRQRLIPE-------GRRGELNSLSSLTTTSATLILFSAGSLLPQT-----------------------------------------------------------

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 : 1443 -210885 -146.14 -614.82 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : -146.14 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.332

(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: