Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSMPAAETQPKKKRMTFKMPDAYVLLFMIAFICAIASYIVPAGEFDR----VTKGDVTTAVPGSYH--SIEQSPVRLISFFTSLQDGMVGSAPIIFLILFTGGTIAILEKTGAINGLIYNVISKFRTKQLLFICIVGALFSILGTTGIVVNSVIGFIPIGLIVARSLKW---DAVAGAAVIYIGCYAGFNSTILSPSPLGLSQSIAELPLFSGIGLRVVIYICFLLSSIIYIYLYTRKLKKSKDASVLGTDWFPAAGMGEAGKEEDQSVPFTVRHKLILAVAGLSLVGFLYGALKLGWSDSQMAATFIFISVLAGLIGGLAANDIAKTFITGCQSLVYGALIVGMARSISVILENGKL-LDTVVNALASLLDGFSPIAGAIGMYIASALLHFLISSGSGEAVVFIPILAPLADLMGITRQVAVEAVMLGEGVVNCVNPTSGVLMAVLAASGIPYVKWLRFMVPLALIWFLIGLVFIVIGVMINWGPF 4AMQ Chain:A ((22-381)) -RMLIF-TYKLERYIKNK------ILPKILVVPDRDKYQIK-GSFRRRIPYITDIDIVNNVHPEYDDTNIYQRIVDLINSFTN--------DNQIKLIYVICGTDDRFL------------LTEYSDEEIEKIKILLNPTELVELNN--VNKKVFYINEIIWDLYKLRWTSSEVLAGKKILRGGIEVSFQDVVKNNSILLLQYFVK--IEYYPIGFDIAVR---------YKPFYQLKLANYSKEYYFM--LFPLRFYFKNDPTISKQLEYIIETKF----------------------------------------------------------GLYKQLLVRI-DSYRTIYESGNLDLDTAKSIIISIIKDIRKLNGIDMNIIDKIQEVSNNSAGQDKIIAWNTLLTQL--YTNINKSVNKQSKKYFTRYINIIPKEDRKLCCL-----------------------------------------

General information: TITO was launched using: RESULT: Template: 4AMQ.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 : 1314 -245814 -187.07 -742.64 target 2D structure prediction score : 0.46 Monomeric hydrophicity matching model chain A : 0.57 3D Compatibility (PKB) : -187.07 2D Compatibility (Sec. Struct. Predict.) : 0.46 1D Compatibility (Hydrophobicity) : 0.57 QMean score : 0.166

(partial model without unconserved sides chains): PDB file : Tito_4AMQ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4AMQ-query.scw PDB file : Tito_Scwrl_4AMQ.pdb: