Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNVELRVGNRYRIGQKIGSGSFGEIFRGTNIQTGDPVAIKLEQVKTRHPQLTYESRFYRILGSGGGAVGIPMMFYHGVEGEFNVMVIELLGPSLEDLFSFCGRRLSLKTTLMLADQMISRIEFVHSKSVLHRDIKPDNFLMGTGKKGHHVYIIDFGLAKKYRDPRTHAHIPYKEGKSLTGTARYCSINTHMGVEQGRRDDMEGIGYILMYFLRGSLPWQGLKAHTKQEKYNRISERKQTTPVELLCKGFPSEFAAYMNYVRALRFEDKPDYSYLKRMFRDLFVREGYHVDYVFDWTLKRIHESLQEQQSFPGGSNGGGAAGNGSPVNQSPAQGGNGGAPNSANNQESGAQEQQ 4HNI Chain:B ((3-294)) --MELRVGNKYRLGRKIGSGSFGDIYLGANIASGEEVAIKLECV---------ESKFYKMMQ---GGVGIPSIKWCGAEGDYNVMVMELLGPSLEDLFNFCSRKFSLKTVLLLADQMISRIEYIHSKNFIHRDVKPDNFLMGLGKKGNLVYIIDFGLAKKYRDARTHQHIPYRENKNLTGTARYASINTHLGIEQSRRDDLESLGYVLMYFNLGSLPWQGLKAATKRQKYERISEKKMSTPIEVLCKGYPSEFSTYLNFCRSLRFDDKPDYSYLRQLFRNLFHRQGFSYDYVFDWNM--------------------------------------------------------

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 B - contact count / total energy / energy per contact / energy per residue : 1375 -131329 -95.51 -464.06 target 2D structure prediction score : 0.72 Monomeric hydrophicity matching model chain B : 0.89 3D Compatibility (PKB) : -95.51 2D Compatibility (Sec. Struct. Predict.) : 0.72 1D Compatibility (Hydrophobicity) : 0.89 QMean score : 0.522

(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: