Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPAYKYNRVFLIVMDSVGIGEAPDAADFNDEGAHTLGHIAEHMNGLHMPNMAKLGLGLIEDIKGVEKTEHPLAYYGKMQEASNGKDTMTGHWEIMGLYIDKPFKVFPEGFPDELLQELEKRSGRKIIGNKPASGTAILDELGQEHMETGALIVYTSADSVLQIAAHEEVVPLEELYRICETARELTLDPKYMVGRIIARPFVGEPGQFKRTPNRHDYALKPFDRTVMNELKDCGLDVISIGKISDIYDGEGITSSRRTVSNMDGMDKVIDTLGEDFTGLSFANLVDFDALFGHRRDPEGYGRALEEFDARLPEVFEKMREDDLLIITADHGNDPIHHGTDHTREYVPILAYSKKHKK-AQMLPLADTFADIGATIADNFQTNKPKYGKSFLSLLQ 3UNY Chain:A ((7-397)) ---NKYKRIFLVVMDSVGIGEAPDAEQFGDLGSDTIGHIAEHMNGLQMPNMVKLGLGNIREMKGISKVEKPLGYYTKMQEKSTGKDEMTGHWEIMGLYIDTPFQVFPEGFPKELLDELEEKTGRKIIGNKPASGTEILDELGQEQMETGSLIVYTSADSVLQIAAHEEVVPLDELYKICKIARELTLDEKYMVGRVIARPFVGEPGNFTRTPNRHDYALKPFGRTVMNELKDSDYDVIAIGKISDIYDGEGVTESLRTKSNMDGMDKLVDTLNMDFTGLSFLNLVDFDALFGHRRDPQGYGEALQEYDARLPEVFAKLKEDDLLLITADHGNDPIHPGTDHTREYVPLLAYSPSMKEGGQELPLRQTFADIGATVAENFGVKMPEYGTSFLNEL-

General information: TITO was launched using: RESULT: Template: 3UNY.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 : 2509 -169860 -67.70 -435.54 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain A : 0.93 3D Compatibility (PKB) : -67.70 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.93 QMean score : 0.653

(partial model without unconserved sides chains): PDB file : Tito_3UNY.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3UNY-query.scw PDB file : Tito_Scwrl_3UNY.pdb: