Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAKEKYDRSKPHVNIGTIGHVDHGKTTLTAAITTVLARRLPSSVNQPKDYASIDAAPEERERGITINTAHVEYETEKRHYAHIDAPGHADYVKNMITGAAQMDGAILVVASTDGPMPQTREHILLSRQVGVKHLIVFMNKVDLVDDEELLELVEMEIRDLLSEYDFPGDDLPVIQGSALKALEGDSKYE---DIVMELMNTVDEYIPEPERDTDKPLLLPVEDVFSITGRGTVASGRIDRGIVKVNDEIEIVGIKEETQKAVVTGVEMFRKQLDEGLAGDNVGVLLRGVQRDEIERGQVIAKPGSINPHTKFKGEVYILTKEEGGRHTPFFNNYRPQFYFRTTDVTGSIELPAGTEMVMPGDNVTIDVELIHPIAVEQGTTFSIREGGRTVGSGMVTEIEA 4IW3 Chain:K ((46-431)) ---------LPHVNVGTIGHVDHGKTTLTAALTRVCSEVFG----------KIDSAPEEKA-GITINTAHVEYNSTIRHYAHVDCPGHADYVKNMITGAAQMDGAILVCSAADGPMPQTREHILLSRQVGVPYIVVFLNKADLV--AELLELVEMEVRDLLSTYDFPGDDTPIIIGSARMALEGKDDNEMGTTAVKKLVETLDSYIPEPVRAIDQPFLMPIEDVFSISGRGTVVTGRIERGIVRVQDPLEIVGLRDTTTTT-CTGVEMFRKLLDEGRAGENCGVLLRGTKRDDVERGQVLVKPGSVKPHTKFTAEVYVLSKEEGGRHTPFFKGYRPQFYFRTTDVTGNCELPEGVEMVMPGDNIQMTVTLIKTIAMEDGLRFAIREGGRTVGAGVVAKI--

General information: TITO was launched using: RESULT: Template: 4IW3.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain K - contact count / total energy / energy per contact / energy per residue : 2086 -45472 -21.80 -121.91 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain K : 0.90 3D Compatibility (PKB) : -21.80 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.90 QMean score : 0.626

(partial model without unconserved sides chains): PDB file : Tito_4IW3.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4IW3-query.scw PDB file : Tito_Scwrl_4IW3.pdb: