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 3D7E Chain:O ((4-472)) --NYVMAIDQGTTSSRAIIFDRNGKKIGSSQKEFPQYFPKSGWVEHNANEIWNSVQSVIAGAFIESGIRPEA-IAGIGITNQRETTVVWDKTTGQPIANAIVWQSRQSSPIADQLKVDGHTEMIHEKTGLVIDAYFSATKVRWLLDNIEGAQEKADNGELLFGTIDSWLVWKLTDGQVHVTDYSNASRTMLYNIHKLEWDQEILDLLNIPSSMLPEVKSNSEVYGHTRSYAFY----GSEVPIAGMAGDQQAALFGQMAFEKGMIKNTYGTGAFIVMNTGEEPQLSDNDLLTTIGYGINGKVYYALEGSIFVAGSAIQWLRDGL--RMIETSPQS--------EELAAKAK-GDNEVYVVPAFTGLGAPYWDSEARGAVFGLTRGTTKEDFVRATLQAVAYQSKDVIDTMKKDSGIDIPLLKVDGGAAKNDLLMQFQADILDIDVQRAANLETTALGAAYLAGLAVGFWKDLDELKSMAEEGQMFTP----------------------------------------

General information: TITO was launched using: RESULT: Template: 3D7E.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 : 3018 -6443 -2.13 -14.16 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain O : 0.74 3D Compatibility (PKB) : -2.13 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.479

(partial model without unconserved sides chains): PDB file : Tito_3D7E.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3D7E-query.scw PDB file : Tito_Scwrl_3D7E.pdb: