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-ARVVGIAGSDEKIDYLKQELQFDEAINYKTADDIQKALQNACPDGVDVYFDNVGGPISDAVMNLLNEFARIPVCGAISSYNAESEADDMGPRVQSKLIKTKSLM-QGFIVSDYSDRFSEGAKQLAEWLKAGKLHYEETITEGFENIPDAFLGLFKGENKGKQLIKVSDPS 2ZB3 Chain:A ((6-348)) -----QRVVLNSRPGKNGNTVAENFRVEEFSLPDALNEGQVQVRTLYLSVDPYMRCKMNEDTGTDYLAPWQLAQVADGGGIG-VVEESKHQKLTKGDFVTSFYWPWQTKAILDGNGLEKVDPQLVDGHLSYFLGAIGMPGLTSLIGVQEKGHISAGSNQTMVVSGAAGACGSLAGQIGHLLGCSRVVGICGTQEKCLFLTSELGFDAAVNYKTGN-VAEQLREACPGGVDVYFDNVGGDISNAVISQMNENSHIILCGQISQYSNDVPYPPPLPPAVEAIRKERNITRERFTVLNYKDKFEPGILQLSQWFKEGKLKVKETMAKGLENMGVAFQSMMTGGNVGKQIVCIS---

General information: TITO was launched using: RESULT: Template: 2ZB3.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 : 1927 -190522 -98.87 -579.09 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain A : 0.83 3D Compatibility (PKB) : -98.87 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.83 QMean score : 0.533

(partial model without unconserved sides chains): PDB file : Tito_2ZB3.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2ZB3-query.scw PDB file : Tito_Scwrl_2ZB3.pdb: