Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------MRTFLIIIGLFLFIGNSFAQSYEELIEKSYDFVDKGDLVSAEESLKAAMRKEPANPLNYALLTNLGTIQRRQGKLQEALISYTSALSGHTKNITILENRASLYTELGETEKALNDYNTLLIENPEHQEALYCRGLLYIQLQNYMWAEQDFDKILEVNEKSVRARLGHAILEKMRGNYDESERIFNYLISEMPRDWILYEGRADLYFMMGKNARAMADIEKVFTESEPTANLYVLRGKIKLAQYEKERAALDFKKAESMGYNKEVIKELLKLTMNN-------------------------------------------------------------------------- |
2XPI Chain:A ((45-595)) | NSQLSTLTISPMTYLASREDYLRLWRHDALMQQQYKCAAFVGEKVLDITGNPNDAFWLAQVYCCTGDYARAKCLLTKEDLYNRSSACRYLAAFCLVKLYDWQGALNLLGETNPFRMQDGGIKLEASMCYLRGQVYTNLSNFDRAKECYKEALMVDAKCYEAFDQLVSNHLLTADEEWDLVLKLNYSTYSKEDAAFLRSLYMLKLNKTSHEDELRRAEDYLSSINGLEKSSDLLLCKADTLFVRSRFIDVLAITTKILEIDPYNLDVYPLHLASLHESGEKNKLYLISNDLVDRHPEKAVTWLAVGIYYLCVNKISEARRYFSKSSTMDPQFGPAWIGFAHSFAIEGEHDQAISAYTTAARLFQGTHLPYLFLGMQHMQLGNILLANEYLQSSYALFQYDPLLLNELGVVAFNKSDMQTAINHFQNALLLVKKTQSNEKPWAATWANLGHAYRKLKMYDAAIDALNQGLLLSTNDANVHTAIALVYLHKKIPGLAITHLHESLAISPNEIMASDLLKRALE |
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General information:
TITO was launched using:
| RESULT:
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Template: 2XPI.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -15591 for 2191 contacts (-7.1/contact) +
2D Compatibility (PS) -30044 + (NN) -19616 + (LL) 0
1D Compatibility (HY) 1200 + (ID) 1900
Total energy: -65951.0 ( -30.10 by residue)
QMean score : 0.337
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