Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDQTRTLGKTKLKVKRIGFGANAVGGHNLFPNLNDETGKDLVRTALDGGVNFIDTAFIYGLGRSEELIGEVVQERGV-RNELIIATK---GAHKEVDGSIELDNSREFLRSEVEKSLKRLKTDYIDLYYVHFPDGKTPLAEVAGTLKELKDEGKIKAIGASNLD-------YQQLQDFNADGYLEVFQAEYSLIQRDAEKELLP-YCEKQGISFIPYFPLASGLLTGKF------TQDTVFDDFRKDKPQFQGETFIHNLKKVDKLKAVAEEKQADTAHVALAWLLTRPAIDAIIPGAKRPEQLQDNLKTLNI--ELTEDEVNFISDIFK 2R9R Chain:A ((6-321)) ----RNLGKSGLRVSCLGLGTWVTFGGQI----TDEMAEHLMTLAYDNGINLFDTAEVYAAGKAEVVLGNIIKKKGWRRSSLVITTKIFWGGKAETERGL----SRKHIIEGLKASLERLQLEYVDVVFANRPDPNTPMEETVRAMTHVINQGMAMYWGTSRWSSMEIMEAYSVARQFNLIPPI-CEQAEYHMFQREKVEVQLPELFHKIGVGAMTWSPLACGIVSGKYDSGIPPYSRASLKGYQWLKDKILSEEGRRQQAKLKELQAIAERLGCTLPQLAIAWCLRNEGVSSVLLGASNAEQLMENIGAIQVLPKLSSSIVHEIDSIL-

General information: TITO was launched using: RESULT: Template: 2R9R.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 : 1597 -166725 -104.40 -563.26 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.78 3D Compatibility (PKB) : -104.40 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.78 QMean score : 0.493

(partial model without unconserved sides chains): PDB file : Tito_2R9R.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2R9R-query.scw PDB file : Tito_Scwrl_2R9R.pdb: