Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTASQQQIQLARRP--QGIPVHEDFRFETIPVPEP-KQGEVLVKTLYVSVDPYMRGRM-QDTKS-YVEPFALDKALSGGVIAEVVSDGNH--LKKGDIVIG-NLSWQEFSAVSESALRKIDTSLAPA--SAYLGILGMTGLTAYFGLLDIGRPKEG--ETVVVSGAAGAVGSTVGQIAKIKG-ARVVGIAGSDEKIDYLKQELQFDEAINYKTADDIQKALQNACPDGVDVYFDNVGGPISDAVMNLLNEFARIPVCGAISSYNAE-SEADDMGPRVQSKLIKTKSLMQGFIVSDYSDRFSEGAKQLAEWLKAGKLHYEETITEGFENIPDAFLGLFKGENKGKQLIKVSDPS 2VNA Chain:A ((5-348)) -----QRVVLNSRPGKNGNPVAENFRMEEVYLPDNINEGQVQVRTLYLSVDPYMRCRMNEDTGTDYITPWQLSQVVDGGGIG-IIEESKHTNLTKGDFVTSFYWPWQTKVILDGNSLEKVDPQLVDGHLSYFLGAIGMPGLTSLIGIQEKGHITAGSNKTMVVSGAAGACGSVAGQIGHFLGCSRVVGICGTHEKCILLTSELGFDAAINYK-KDNVAEQLRESCPAGVDVYFDNVGGNISDTVISQMNENSHIILCGQISQYNKDVPYPPPLSPAIEAIQKERNITRERFLVLNYKDKFEPGILQLSQWFKEGKLKIKETVINGLENMGAAFQSMMTGGNIGKQIVCISE--

General information: TITO was launched using: RESULT: Template: 2VNA.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 : 1947 -199127 -102.27 -603.41 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.82 3D Compatibility (PKB) : -102.27 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.82 QMean score : 0.541

(partial model without unconserved sides chains): PDB file : Tito_2VNA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2VNA-query.scw PDB file : Tito_Scwrl_2VNA.pdb: