Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTSYMLGIDIGTTSTKAVLFSENGDVVQKESIGYPLYTPDISTAEQNPEEIF---QAVIHTTARITKQHPEKRISFISFSSAMHSVIAIDEN-DKPLTPCITWADNRSEGWAHKIKEELNGHEVYKRTGTPIHPMAPLSKIAWITNE---RKEIASKAKKYIG-IKEYIFKQLFNE--YVIDYSLASATGMMNLKGLDWDEEALRIAGITPDHLSKLVPTTEIFQHCSPEIAIQMGIDPETPFVIGASDGVLSNLGVNAIKKGEIAVTIGTSGAI-RTIIDKPQTDEKGRI--FCYALTDK-HWVIGGPVNNGGIVLRWIRDEFASSEIETATRLGIDPYDVLTKIAQRVRPGSDGLLFHPYLAGERAPLWNPDVRGSFFGLTMSHKKEHMIRAALEGVIYNLYTVFLALTECMDGPVTRIQATGGFARSEVWRQMMSDIFESEVVVPESYESSCLGACILGLYATGKIDSFDAVSDMIGSTYRHTPIEDSAKEYRTLMPIFINLSRLLENQYTQIADYQRGLITHK 3H3O Chain:O ((5-473)) --NYVMAIDQGTTSSRAIIFDRNGKKIGSSQKEFPQYFPKSGWVEHNANEIWNSVQSVIAGAFIESGIRPEA-IAGIGITNQRETTVVWDKTTGQPIANAIVWQSRQSSPIADQLKVDGHTEMIHEKTGLVIDAYFSATKVRWLLDNIEGAQEKADNGELLFGTIDSWLVWKLTDGQVHVTDYSNASRTMLYNIHKLEWDQEILDLLNIPSSMLPEVKSNSEVYGHTRS----YRFYGSEVPIAGMAGDQQAALFGQMAFEKGMIKNTYGTGAFIVMNTGEEPQLSDNDLLTTIGYGINGKVYYALEGSIFVAGSAIQWLRDGL--RMIETSPQS--------EELAAKAK-GDNEVYVVPAFTGLGAPYWDSEARGAVFGLTRGTTKEDFVRATLQAVAYQSKDVIDTMKKDSGIDIPLLKVDGGAAKNDLLMQFQADILDIDVQRAANLETTALGAAYLAGLAVGFWKDLDELKSMAEEGQMFTP----------------------------------------

General information: TITO was launched using: RESULT: Template: 3H3O.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain O - contact count / total energy / energy per contact / energy per residue : 2927 686 0.23 1.51 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain O : 0.74 3D Compatibility (PKB) : 0.23 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.486

(partial model without unconserved sides chains): PDB file : Tito_3H3O.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3H3O-query.scw PDB file : Tito_Scwrl_3H3O.pdb: