Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MIPIYICEDDPKQLEVLSTVIKNRIMIENLDSYVHISTSDPEELLNAAKIRTSSFGIYFLDIELEDSEMDGVAIGKLIRELDPLGKIIYVTSHTEMSMKILKSNIEPTDYIVKEDLYDLKENVEHILSKIFEDFQMSQIQKDIFKIEFNDEIKFLPIKDIQYFSTSLGAPHKLEVHLTHAQLQFYEKIKEIEKMHRNFIRCHKSYVINTQNVRSINKKTREVTLANGETIPASIRGLKKLIS 4Q7E Chain:A ((7-113)) -PRILLVEDDEGLGETLKERLEQDK------YRVE-WAKTISEAENLYRPN--AFDLVVLDLRLPD--GNGFDLAEMIVKKEKDLPFLFLTAQAGAQERLRGFELGAAEFIPKPFHLKE---------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4Q7E.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 : 462 -58986 -127.67 -551.27 target 2D structure prediction score : 0.73 Monomeric hydrophicity matching model chain A : 0.62 3D Compatibility (PKB) : -127.67 2D Compatibility (Sec. Struct. Predict.) : 0.73 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.565

(partial model without unconserved sides chains): PDB file : Tito_4Q7E.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4Q7E-query.scw PDB file : Tito_Scwrl_4Q7E.pdb: