Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSSTLENCLVQGGRFRVGRRIGGGSFGEIFLGVDTQTGEAVAIKVERSKAVHPQLFSESRYYTLLSQGRGAAYMPTIFGYSSECEFNVMAMELMGFSLEDLHEKCGSRFSLKTTLMLADQILWLIELVHSHSILHRDIKPDNFIMGRGKKAHHVHIIDFGLAKKYRDSQTNMHIPYKEGKSLTGTARYCSINTHLGAEQSRRDDMEGIAYLLIYFLRGSLPWQGLKTATKEQKYGLIAHVKMSTSVESLCKGLPIEFASFLNYSRALRFEDRPDYGYLRSMFRRLFEREGYQEDYVYDWTVRSMYETLTARQRKNAAKRGKKQK 4HNI Chain:A ((8-294)) -----------GNKYRLGRKIGSGSFGDIYLGANIASGEEVAIKLECV-------HIESKFYKMMQGGVG---IPSIKWCGAEGDYNVMVMELLGPSLEDLFNFCSRKFSLKTVLLLADQMISRIEYIHSKNFIHRDVKPDNFLMGLGKKGNLVYIIDFGLAKKYRDARTHQHIPYRENKNLTGTARYASINTHLGIEQSRRDDLESLGYVLMYFNLGSLPWQGLKAATKRQKYERISEKKMSTPIEVLCKGYPSEFSTYLNFCRSLRFDDKPDYSYLRQLFRNLFHRQGFSYDYVFDWNM-----------------------

General information: TITO was launched using: RESULT: Template: 4HNI.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 : 1368 -127265 -93.03 -454.52 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain A : 0.86 3D Compatibility (PKB) : -93.03 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.86 QMean score : 0.480

(partial model without unconserved sides chains): PDB file : Tito_4HNI.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4HNI-query.scw PDB file : Tito_Scwrl_4HNI.pdb: