Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MIPLHENLAGKTAVITGGSGVLCSAMARELARHGMKVA---ILNRTAEKGQAVVKEITAAGGTACAVAADVLDRMSLERAKEDILGQFGAVDLLINGAGGNHPDAITDVETYEEAGEGQSFFDMDERGFLTVFSTNFTGAFLASQVFGKELLKADSPAIINLSSMSAYSPMTKVPAYSAAKASINNFTMWMAVHFAETGLRVNAIAPGFFLTKQNHDLL-INQDGTFTSRSHKIIAGTPMKRFGKPEDLLGTLLWLADESYSGFVTGITVPVDGGFMAYSGV 3CXR Chain:A ((11-266)) ------SLKGKIALVTGASYGIGFAIASAYAKAGATIVFNDINQELVDRGMAAYK---AAGINAHGYVCDVTDEDGIQAMVAQIESEVGIIDILVNNAG-----IIRRVPMIE----------MTAAQFRQVIDIDLNAPFIVSKAVIPSMIKKGHGKIINICSMMSELGRETVSAYAAAKGGLKMLTKNIASEYGEANIQCNGIGPGYIATPQTAPLREL------HPFDQFIIAKTPAARWGEAEDLMGPAVFLASDA-SNFVNGHILYVDGGILAYIG-

General information: TITO was launched using: RESULT: Template: 3CXR.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 : 1282 -157700 -123.01 -641.05 target 2D structure prediction score : 0.55 Monomeric hydrophicity matching model chain A : 0.77 3D Compatibility (PKB) : -123.01 2D Compatibility (Sec. Struct. Predict.) : 0.55 1D Compatibility (Hydrophobicity) : 0.77 QMean score : 0.416

(partial model without unconserved sides chains): PDB file : Tito_3CXR.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3CXR-query.scw PDB file : Tito_Scwrl_3CXR.pdb: