Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSSTLENCLVQGGRFRVGRRIGGGSFGEIFLGVDTQTGEAVAIKVERSKAVHPQLFSESRYYTLLSQGRGAAYMPTIFGYSSECEFNVMAMELMGFSLEDLHEKCGSRFSLKTTLMLADQILWLIELVHSHSILHRDIKPDNFIMGRGKKAHHVHIIDFGLAKKYRDSQTNMHIPYKEGKSLTGTARYCSINTHLGAEQSRRDDMEGIAYLLIYFLRGSLPWQGLKTATKEQKYGLIAHVKMSTSVESLCKGLPIEFASFLNYSRALRFEDRPDYGYLRSMFRRLFEREGYQEDYVYDWTVRSMYETLTARQRKNAAKRGKKQKENTREESDIFFERENTES 5X17 Chain:A ((8-294)) -----------GNRYRLGRKIGSGSFGDIYLGTDIAAGEEVAIKLECVKTKHPQLHIESKIYKMMQGGVG---IPTIRWCGAEGDYNVMVMELLGPSLEDLFNFCSRKFSLKTVLLLADQMISRIEYIHSKNFIHRDVKPDNFLMGLGKKGNLVYIIDFGLAKKYRDARTHQHIPYRENKNLTGTARYASINTHLGIEQSRRDDLESLGYVLMYFNLGSLPWQGLKAATKRQKYERISEKKMSTPIEVLCKGYPSEFATYLNFCRSLRFDDKPDYSYLRQLFRNLFHRQGFSYDYVFDWNM-----------------------------------------

General information: TITO was launched using: RESULT: Template: 5X17.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 : 1424 -138758 -97.44 -483.48 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain A : 0.86 3D Compatibility (PKB) : -97.44 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.86 QMean score : 0.552

(partial model without unconserved sides chains): PDB file : Tito_5X17.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5X17-query.scw PDB file : Tito_Scwrl_5X17.pdb: