Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPAYKYNRVFLIVMDSVGIGEAPDAADFNDEGAHTLGHIAEHMNGLHMPNMAKLGLGLIEDIKGVEKTEHPLAYYGKMQEASNGKDTMTGHWEIMGLYIDKPFKVFPEGFPDELLQELEKRSGRKIIGNKPASGTAILDELGQEHMETGALIVYTSADSVLQIAAHEEVVPLEELYRICETARELTLDPKYMVGRIIARPFVGEPGQFKRTPNRHDYALKPFDRTVMNELKDCGLDVISIGKISDIYDGEGITSSRRTVSNMDGMDKVIDTLGEDFTGLSFANLVDFDALFGHRRDPEGYGRALEEFDARLPEVFEKMREDDLLIITADHGNDPIHHGTDHTREYVPILAYSKKHKK-AQMLPLADTFADIGATIADNFQTNKPKYGKSFLSLLQ 3UN2 Chain:C ((8-397)) ----KYKRIFLVVMDSVGIGEAPDAEQFGDLGSDTIGHIAEHMNGLQMPNMVKLGLGNIREMKGISKVEKPLGYYTKMQEKSTGKDQMTGHWEIMGLYIDTPFQVFPEGFPKELLDELEEKTGRKIIGNKPASGTEILDELGQEQMETGSLIVYTSADSVLQIAAHEEVVPLDELYKICKIARELTLDEKYMVGRVIARPFVGEPGNFTRTPNRHDYALKPFGRTVMNELKDSDYDVIAIGKISDIYDGEGVTESLRTKSNMDGMDKLVDTLNMDFTGLSFLNLVDFDALFGHRRDPQGYGEALQEYDARLPEVFAKLKEDDLLLITADHGNDPIHPGTDHTREYVPLLAYSPSMKEGGQELPLRQTFADIGATVAENFGVKMPEYGTSFLNEL-

General information: TITO was launched using: RESULT: Template: 3UN2.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain C - contact count / total energy / energy per contact / energy per residue : 2475 -168659 -68.14 -433.57 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain C : 0.93 3D Compatibility (PKB) : -68.14 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.93 QMean score : 0.637

(partial model without unconserved sides chains): PDB file : Tito_3UN2.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3UN2-query.scw PDB file : Tito_Scwrl_3UN2.pdb: