Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKMLLFLIIAAVSMLTIAGCSSQSSSADGKVTLKFFHRWPKEPEKSYFEEVVKEFEKDHPDIDIQIEAVLNDSYKDKIKVMLGTTSPPDIYFSWSDEFAFKFIRGNKALDLSSYYKNDTDWSSQLVQSQITPF-TYENKQYGVPWQMDAKSFFYNKDIFQKLNLDPPKTWDELIDVSKKLKEHGYTPISFGTKATWTISHYIGTLNQRMVDEKTREKDYNAKTGEFTDEGYVKALEKLQELMPYFNKHVNSVDHEYVRQQFKSGKSAMIYAETAEI-KLVE---PVNLGMFPFPEISGQKGSS-EALTGAPEGFMISSRTKHPKEAMEFLQFLTSKRMGEKLVKDVGKYSA-VQGTATEENATAIQREAVQHIVDAKSMVPWFDMDVDVEVADAYLTGVQQMLGGDMTPQQVMKAVQKAAKQVRASAE 3OO8 Chain:A ((26-413)) -----------------------------GNGPITFGSNYSDEAPKAAFASLMQQATT-STTVPVTVNTTDHNTFQNNISNYLQ-GTPDSLATWFAGYRLQFFAAQGLLTPIDDVWDKI---GGTFNDAAKSLSKGLDGHYYLVPLYNYPWVVFYNKSVFQSKGYEVPASWEAFIALARKMQSDGLVPLAFADKDGWPALGTFDILNLRINGYDYHIKLMKHE-VPWTDPGVTKVFDQWRELAAYQQKGANGRTWQDAAKALENKQAGMMFQGSNQVAANYSAKNLPDLDFFVFPAINPQYGTDYMDAP--TDGFILPKKGKNAAAAKKVLQYIGTAEAEAAFLKTDHWDVGLANGLIA-PTYNDIQKKSVAEIGKCKSVSQFMERDTVPDMANAMIKLIQQFIDQ-PTPETI-ATVQKSAEDQAKTI-

General information: TITO was launched using: RESULT: Template: 3OO8.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 : 2144 30828 14.38 80.91 target 2D structure prediction score : 0.73 Monomeric hydrophicity matching model chain A : 0.71 3D Compatibility (PKB) : 14.38 2D Compatibility (Sec. Struct. Predict.) : 0.73 1D Compatibility (Hydrophobicity) : 0.71 QMean score : 0.507

(partial model without unconserved sides chains): PDB file : Tito_3OO8.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3OO8-query.scw PDB file : Tito_Scwrl_3OO8.pdb: