Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSSTLENCLVQGGRFRVGRRIGGGSFGEIFLGVDTQTGEAVAIKVERSKAVHPQLFSESRYYTLLSQGRGAAYMPTIFGYSSECEFNVMAMELMGFSLEDLHEKCGSRFSLKTTLMLADQILWLIELVHSHSILHRDIKPDNFIMGRGKKAHHVHIIDFGLAKKYRDSQTNMHIPYKEGKSLTGTARYCSINTHLGAEQSRRDDMEGIAYLLIYFLRGSLPWQGLKTATKEQKYGLIAHVKMSTSVESLCKGLPIEFASFLNYSRALRFEDRPDYGYLRSMFRRLFEREGYQEDYVYDWTVRSMYETLTARQRKNAAKRGKKQKENTREESDIFFERENTES 4JJR Chain:A ((6-292)) -----------GNRYRLGRKIGSGSFGDIYLGTDIAAGEEVAIKLECV----PQLHIESKIYKMMQGGVG---IPTIRWCGAEGDYNVMVMELLGPSLEDLFNFCSRKFSLKTVLLLADQMISRIEYIHSKNFIHRDVKPDNFLMGLGKKGNLVYIIDFGLAKKYRDARTHQHIPYREN---TGTARYASINTHLGIEQSRRDDLESLGYVLMYFNLGSLPWQGL------QKYERISEKKMSTPIEVLCKGYPSEFATYLNFCRSLRFDDKPDYSYLRQLFRNLFHRQGFSYDYVFDWNM-----------------------------------------

General information: TITO was launched using: RESULT: Template: 4JJR.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 : 1353 -144462 -106.77 -527.23 target 2D structure prediction score : 0.70 Monomeric hydrophicity matching model chain A : 0.85 3D Compatibility (PKB) : -106.77 2D Compatibility (Sec. Struct. Predict.) : 0.70 1D Compatibility (Hydrophobicity) : 0.85 QMean score : 0.531

(partial model without unconserved sides chains): PDB file : Tito_4JJR.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4JJR-query.scw PDB file : Tito_Scwrl_4JJR.pdb: