Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTELTPYHEDQELDNNTSDNIHFRDILEQHISRRSLITKAASGAVALTLASTLTGCNDNDDDSGSNNGGTTPVDPNKKPEKLTFTPVAKNLNDIVTVPEGYEANVIYALGDSINPRVGDWDDNNIPSGPSFQFRSGDCHDGMHYFGLNTSTNRFDETVSAQGLLVMNHEYINQTFLHPKGPTKVDGRRPEDEVIRETNANGVSVIHIKKDPTTQKVEIIKNSIFNRRITASTVMEFAGAAAGSSLLATRFSPAGRQTRGTHNNCGNGYTPWGTYLTTEENFIGYFQRSGSDEYARTDAEKITLKRYGLGVKKDEPYLYEKDEKGAPKKDKDGKIIYLKDKNGELIPNVDEQGRQIYLGTSSRYGWETAIGQVESQDLYDRWNADVKAAQATQDYRNGPNTFGWMVEIDPFDGRQNPVKRTSLGRFAHEDSACRAVVGQPLAFYMGDDSRGEYIYKFVSTAVWDTKDINGGYTAGDKYMNAGKLYVAKFNND--------GSGQWIELAYGKNGLNESNTTYPFKSQADVVTFARLAADSVGATKMDRPEWCTINPLNGEIYVTLTNNSNRGKDY-ATDAANPRNYTDLYAGTKEQKGNVNGHIIRFKETDDKTTAETFKWDIYLFGAEAAMAS---NINLSGLTDNNDFSSPDGMWFDPRGVLWIETDDGA-----YTDVTNCMMLAALPGQIGDGGTATTSNGQQTITGAKVTDATLRRFLVGPKQCEITGIAMTPDYKAIFINVQHPGEDSPSYAKPESNWPATQKDPSNKTARPRSATVVITRKDGGVIAG 4A9V Chain:A ((8-585)) ------------------------------------------------------------------------------SRLLGFDSIPAATTDTISLPKGYKSSVLISWGQPLHKNGPAFDPSGNGTAAAQEVQFGDNNDGMSLFEFPG--------EKNRALMAINNEYTNYRYLYPHGG----MPQSAEDVRKALACEGVSVIEVQRK--NGQWQFVQGSRYNRRIHGNSPLRISGPAAGHELMKTSADKHGKKVLGTFQNCANGKTPWGTYLTCEENFTDCFGSSNAQ-----QQFDPAQKRYGVSAA------------------------------------------------SREINWHPFDP---------RFDMA--------KNPNELNRHGWVVEIDPFDPQSTPVKRTALGRFKHENAALAETDDGRAVVYMGDDERGEFIYKFVSRDKINHRN---AKANR-DILDHGTLYVARFDAGDGNPDHPKGQGQWIELTHGKNGI---DASSGFADQAEVLIHARLAASVVGATRMDRPEWIVVSPKDGQVYCTLTNNAKRGEDGQPVGGPNPREK------------NVYGQILRWRTDRDDHASKTFAWDLFVVAGNPSVHAGTPKGGSSNITPQNMFNSPDGLGFDKAGRLWILTDGDSSNAGDFAGMGNNQMLCADPA-----------------------TGEIRRFMVGPIGCEVTGISFSPDQKTLFVGIQHPGENGG------STFPEHL-----PNGKPRSSVMAITREDGGIVG-

General information: TITO was launched using: RESULT: Template: 4A9V.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 : 3694 54451 14.74 97.06 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain A : 0.77 3D Compatibility (PKB) : 14.74 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.77 QMean score : 0.439

(partial model without unconserved sides chains): PDB file : Tito_4A9V.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4A9V-query.scw PDB file : Tito_Scwrl_4A9V.pdb: