Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MISSIQEPNELRKRLQGFYRTDEKSYARYLVEKIELSADSKNRIYNIAKQVVEKIK--GSKLDVIDSFMQQYSLSSDEGVALMCLAESLLRIPDDYTIDELIKDKIANQEWSKHLGRSSSLFVNASTWSLMIGSSVLRGNE--EGPRFYHVISKLLKNFGEPIIRKAVKQAMLMLGKHFIVGETIEEALESIRSDSHSKFLCSFSILGEAAHTAENAEEYFNSYMHAIKAIGESTDTSDCFKSHGISIKFSSLHPRYEFCQFGNIAGELKTKVLELCHEAKKYNISLCIDAEESERLEMSLVLFEQLRLDESLSQWEGLGLAVQAYQKRALSVLDFVEDVAIRSKHKIMVRLVKGAYWDSEIKRTQELGLSSYPVFTRKSYTDVCYLACARKLLSKASHFYPCFGTHNAYTFATIVELADKNHPGFEFQRLHGIGKNLYDYAMSELATSIDCRIYAPVGKHSDLLPYLIRRLLENGANSSFVNQINGSDVKIEELISDPLEKAKSLGYEPHSSIPLPQDIFGEERKNSLGMDIGDSVTVSQFANDIKELSGKKWQVGPIINGESLFDSAKFIEVVNPAHLENVIGEVSNTTSDQALNALEVAHSAFIKWQNVSAEKRTVYLEKAADLLEEKMKELIYILIVEAGKVLSDAITEVREAVDFLRYYAIIARNELSNWKKLQGPTGEDNFIFFEGRGVFLCISPWNFPLAIFIGQVSAALAAGNAVLAKPAEQTPIIAYEAVKILHEAGIPKDVLHLIPGDGQYLGKALVPDNRISGVAFTGSTQTAQMINRMLASRNGPIVPFIAETGGLNAMIVDSSALLEQVTVDVLLSAFRSAGQRCSALKVLFIQEDIAEKQIKMICDAAQELKVGDPIQLSTDIGPIIDKASIDMLTKYTEKMSGDRDSSLLSKVPMDTNSHNGHFFSPYIYEIQKISQLKQEVFGPILHIIRFNKSQLNGVISDINNTGYGLTFSLQSRIQNQIDSISRKISVGNVYINRDQVGATVGVQPFGGRGLSGTGPKAGGPNYLQRFSTEKVVSVNTAAFGGNTKLMCLD |
3HAZ Chain:A ((14-987)) | ------------------YAPDDAEIAARLLPASHLSPPQEARIHRTATRLIEAIRKR--RLGGVEDMLREFALSTKEGLALMVLAEALLRVPDARTADQFIEDKLGEGDFIHHETKSTAFLVNASAWA----ARVIQPGETPDG-----TIGRLVKRLGAPAVRTATRQAMRLMGNHFVLGETIEQALERGKPRSGQKTRYSFDMLGEGARTAADARRYFDAYASAIETIGKAAGNHALPDRPGISVKLSALHPRFEAISRARVMVELVPQLLDLAQRAKAHDLNFTVDAEEADRLELSLDVIAATLADPSLKGWDGFGLAIQAYQKRASAVIDYVDALARAHDRKLMVRLVKGAYWDTEIKRAQERGLDGYPVFTRKAMTDLNYVACASKLLALRPRIFPQFATHNALTVATVLEMAEGSS-GFEFQRLHGMGEALYEQLAKDHA-DIAYRTYAPVGSHRDLLAYLVRRLLENGANSSFVAQAADYRVPVPALLQRPADAIVRPQAAAHPRIPLPCDLFAPERRNSRGVEFGARTALDQLLTDVKAETGD-------------------------------LKPIADATPDQAHAAVAAARAGFAGWSRTPAGIRAAALEQAAHLLESRSAHFIALLQREGGKTLDDALSELREAADFCRYYAAQGRKLFGSETAMPGPTGESNALTMRGRGVFVAISPWNFPLAIFLGQVTAALMAGNSVVAKPAEQTPRIAREAVALLHEAGIPKSALYLVTGDGR-IGAALTAHPDIAGVVFTGSTEVARSINRALAAKDGPIVPLIAETGGINAMIADATALPEQVADDVVTSAFRSAGQRCSALRLLFVQEDVADRMIEMVAGAARELKIGDPSDVATHVGPVIDVEAKQRLDAHIARMKTEARLHFAGPAP------EGCFVAPHIFELTEAGQLTEEVFGPILHVVRYRPENLERVLRAIERTGYGLTLGVHSRIDDSIEAIIDRVQVGNIYVNRNMIGAVVGVQPFGGNGLSGTGPKAGGPHYLARFATEQTVTINTAAAG--------- |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 3HAZ.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) -549570 for 8795 contacts (-62.5/contact) +
2D Compatibility (PS) -103829 + (NN) -42503 + (LL) 4268
1D Compatibility (HY) -75200 + (ID) 23500
Total energy: -790334.0 ( -89.86 by residue)
QMean score : 0.510
|
|
|