Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKMLLFLIIAAVSMLTIAGCSSQSSSADGKVTLKFFHRWPKEPEKSYFEEVVKEFEKDHPDIDIQIEAVLN---DSYKDKIKVMLGTTSPPDIYFSWSD-EFAFKFIRGNKALDLSSYYKNDTDWSSQLVQSQITPFTYENKQYGVPWQMD-AKSFFYNKDIFQKLNLDPPKTWDELIDVSKKLKEHGY-TPISFGTKATWTISHYIGTLNQRMVDEKTREKDYNAKTGEFTDEGYVKALEKLQELMPYFNKHVNSVDHEYVRQQFKSGKSAMIYAETAEI-KLVE------PVNLGMFPFPEISGQKGSSEALTGAPEGFMISSRTKHPKEAMEFLQFLTSKRMGEKLVKDVGKYSAVQGTATEENATAIQREAVQHIVDAKSMVPW-FDMDVDVEVADAYLTGVQQMLGGDMTPQQVMKAVQKAAKQVRASAE 2B3F Chain:A ((1-391)) -------------------------------MKLEIFSWWAG-DEGPALEALIRLYKQKYPGVEVINATVTGGAGVNARAVLKTRMLGGDPPDTFQVHAGMELIGTWVVANRMEDLSALFRQEG-WLQAFPKGLIDLISYKGGIWSVPVNIHRSNVMWYLPAKLKGWGVNPPRTWDKFLATCQTLKQKGLEAPLALGE--NWTQQHLWESVALAVLGPDDWNNLWNGK-LKFTDPKAVRAWEVFGRVLDCANKDAAGLSWQQAVDRVVQGKAAFNIMGDWAAGYMTTTLKLKPGTDFAWAPSPGTQG-V---FMML--SDSFGLPKGAKNRQNAINWLRLVGSKEGQDTSNPLKGSIAARLDSDPSK-YNAYGQSAMRDWRSNRIVGSLVHGAVAPESFMSQFGTVMEIFL-QTRNPQAAANAAQAIADQVGLGR-

General information: TITO was launched using: RESULT: Template: 2B3F.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 : 2244 56004 24.96 148.55 target 2D structure prediction score : 0.70 Monomeric hydrophicity matching model chain A : 0.70 3D Compatibility (PKB) : 24.96 2D Compatibility (Sec. Struct. Predict.) : 0.70 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.482

(partial model without unconserved sides chains): PDB file : Tito_2B3F.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2B3F-query.scw PDB file : Tito_Scwrl_2B3F.pdb: