Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTELTPYHEDQELDNNTSDNIHFRDILEQHISRRSLITKAASGAVALTLASTLTGCNDNDDDSGSNNGGTTPVDPNKKPEKLTFTPVAKNLNDIVTVPEGYEANVIYALGDSINPRVGDWDD--NNIPSGPSFQFRSGDCHDGMHYFGLNTSTNRFDETVSAQGLLVMNHEYINQTFLHPKGPTKVDGRRPEDEVIRETNANGVSVIHIKKDPTTQKVEIIKNSIFNRRITASTVMEFAGAAAGSSLLATRFSPAGRQTRGTHNNCGNGYTPWGTYLTTEENFIGYFQRSGSDEYARTDAEKITLKRYGLGVKKDEPYLYEKDEKGAPKKDKDGKIIYLKDKNGELIPNVDEQGRQIYLGTSSRYGWETAIGQVESQDLYDRWNADVKAAQATQDYRNGPNTFGWMVEIDPFDGRQNPVKRTSLGRFAHEDSACRAVVGQPLAFYMGDDSRGEYIYKFVSTAVWDTKDINGGYTAGDKYMNAG--KLYVAKFNNDGSGQWIEL-----AYGKNGLNESNTTYPFKSQADVVTFARLAADSVGATKMDRPEWCTINPLNGEIYVTLTNNSNRGKDYATDAANPRNYTDLYAGTKEQKGNVNGHIIRFKETDDKTTAETFKWDIYLFGAEAAMASNINLSGLTDNNDFSSPDGMWFDPRGVLWIETDDGAYTDVTNCMMLAALPGQIGDGGTATTSNGQQTITGAKVTDATLRRFLVGPKQCEITGIAMTPDYKAIFINVQHPGEDSPSYAKPESNWPATQKDPSNKTARPRSATVVITRKDGGVIAG 5JSD Chain:A ((172-719)) QTQYYLKYFNPEIVYPKNARIMLDN--------------------GDIVRSTVVN---NTSNPNVDMTGWVKVSSVSQIFDETYNITQSVINGNLITVDNFGAK-----GDGVTDDSAAFQAYCDSALTGQNLYLGAKG------RYILKNQVDLKGKGLVGNGCGKVSEFYYNLGCID------VDGSSPDLQ-------GKTAFINC--GPTIQ-----------------------------NLTARCSNGAGKQ-------------------------VSFIEIDGY----LANIDHITLINFY-------------------------NQIVVK----QALVGFNFTNAWLYY----------------------------------------SQNAGIYCE-DPLN------RVSTTGTFHN----IYFQLGDGHAMIFDRDVHGCDFDNIIFE------SMNGGIKA-RTVAHCGFGKFWCENLKTATSKDWLEVTGANSCYGNSFTGYVKLLGGWTSKTSP-TLDSLPTNNYGGVSVSAEGISIVNAGNKAKMLMLPSGFKTGNATIDETHISSSTVTPLVKRRVIGADSSG---AQYLASDTYTKLSRKWGTYNHGSNNAGAFY-APMMLTYDQSFSTPQ----NNNGWKIVKESTGVYRVERV------------SGNTSVITNGHIVVGSPLMGSR------LGTGTGATHGIQMIETYA--------GSWTSYTEA---AGFKVFWRDSSNALVDPHRFTVAFTATS------

General information: TITO was launched using: RESULT: Template: 5JSD.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 : 2784 87983 31.60 163.23 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : 31.60 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.188

(partial model without unconserved sides chains): PDB file : Tito_5JSD.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5JSD-query.scw PDB file : Tito_Scwrl_5JSD.pdb: