Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPAYKYNRVFLIVMDSVGIGEAPDAADFNDEGAHTLGHIAEHMNGLHMPNMAKLGLGLIEDIKGVEKTEHPLAYYGKMQEASNGKDTMTGHWEIMGLYIDKPFKVFPEGFPDELLQELEKRSGRKIIGNKPASGTAILDELGQEHMETGALIVYTSADSVLQIAAHEEVVPLEELYRICETARELTLDPKYMVGRIIARPFVGEPGQFKRTPNRHDYALKPFDRTVMNELKDCGLDVISIGKISDIYDGEGITSSRRTVSNMDGMDKVIDTLGEDFTGLSFANLVDFDALFGHRRDPEGYGRALEEFDARLPEVFEKMREDDLLIITADHGNDPIHHGTDHTREYVPILAYSKKHKK-AQMLPLADTFADIGATIADNFQTNKPKYGKSFLSLLQ 4LRC Chain:A ((24-414)) ---NKYKRIFLVVMDSVGIGEAPDAEQFGDLGSDTIGHIAEHMNGLQMPNMVKLGLGNIREMKGISKVEKPLGYYTKMQEKSTGKDTMTGHWEIMGLYIDTPFQVFPEGFPKELLDELEEKTGRKIIGNKPASGTEILDELGQEQMETGSLIVYTSADSLLQIAAHEEVVPLDELYKICKIARELTLDEKYMVGRVIARPFVGEPGNFTRTPNRHDYALKPFGRTVMNELKDSDYDVIAIGKISDIYDGEGVTESLRTKSNMDGMDKLVDTLNMDFTGLSFLNLVDFDALFGHRRDPQGYGEALQEYDARLPEVFAKLKEDDLLLITADHGNDPIHPGTDHTREYVPLLAYSPSMKEGGQELPLRQTFADIGATVAENFGVKMPEYGTSFLNEL-

General information: TITO was launched using: RESULT: Template: 4LRC.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 : 2467 -166486 -67.49 -426.89 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.94 3D Compatibility (PKB) : -67.49 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.94 QMean score : 0.669

(partial model without unconserved sides chains): PDB file : Tito_4LRC.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4LRC-query.scw PDB file : Tito_Scwrl_4LRC.pdb: