Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ----MPPRIRRSVMRQFTSLQV--AILALGSLCFSTAYADSTLV----PMSDAELSATRGQALMSMSYIAPNDSANLEKLRDSSSNVGFYKLGLEAELEINANIRKLQLGCGGVNGAGGCDIDFDNVSLSGVADTREGRV-----ASDAKLTNPFLEFAIKNPNSA---STREVAGIRLSAE---AVEGLLTIGTEN-SATPNGINSLSGYMVVAPQVGEATVDAARITQTGSPACGVYPSPAGCGVNQAITGKARGKIALGAGFNLDFQTKSYDITLTPTQKAQLSLPQSVVSGQRMSSVNL--------LASAIVNGIDLSGTLAA---DVDILGGITLNGNLRGTINNLP--VTVP-----LLENLGYIHKINLSGSPLSLSMQGQDIRWPGTVSTAMRG--WWLELSNPIDIGRIDPTNSVVIKTDTIRDALTEVSKELTQNPLNCGFLAVNCIGGD---------------FNVGTRDLSNARPALLELQNLQLANQS--FAPNCYGSLKFC 5HXW Chain:A ((22-454)) PRHGFVEGTEGALPKQADVVVVGAGILGIMTAINLVERGLSVVIVEKGNIAGEQSSRFYGQAI---SYKMPDET------------FLLHHLGKHRWREMNAKV--------------GIDTTY----------RTQGRVEVPLDEEDLVNVRKWIDERSKNVGSDIPFKTRIIEGAELNQRLRGATTDWKIAGFEEDSGSFD------------PEV--ATFVMAEYAKK--MGVRIYTQCA-----------ARG-----------LETQAGVISDVVTEKGAIKTSQVVVAGGVWSRLFMQNLNVDVPTLPAYQSQQLISGSPTAPGGNVALPGGIFFREQADGTYATSPRVIVAPVVKESFTYGYKYLPLLALPDFPVHISLN------EQLINSFMQSTHWNLDEVSPFEQFRNMTALPDLPELNASLEKLKAEFPAFKESKLIDQWSGAMAIAPDENPIISEVKEYPGLVINTATGWGMTESPVSAELTADLLLGKKPVLDPKPFSLYRF-

General information: TITO was launched using: RESULT: Template: 5HXW.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 : 1940 -1522 -0.78 -4.07 target 2D structure prediction score : 0.52 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : -0.78 2D Compatibility (Sec. Struct. Predict.) : 0.52 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.177

(partial model without unconserved sides chains): PDB file : Tito_5HXW.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5HXW-query.scw PDB file : Tito_Scwrl_5HXW.pdb: