Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MRTFLIIIGLFLFIGNSFAQSYEELIEKSYDFVDKGDLVSAEESLKAAMRKEPANPLNYALLTNLGTIQRRQGKLQEALISYTSALSGHTKNITILENRASLYTELGETEKALNDYNTLLIENPEHQEALYCRGLLYIQLQNYMWAEQDFDKILEVNEKSVRARLGHAILEKMRGNYDESERIFNYLISEMP-------RDWILYEGRADLYFMMGKNARAMADIEKVFTESEPTANLYVLRGKIKLAQYEKERAALDFKKAESMGYNKEVIKELLKLTMNN |
2XPI Chain:A ((319-595)) | -SRFIDVLAITTKILEIDPYNLDVYPLHLASLHESGEKNKLYLISNDLVDRHPEKAV---TWLAVGIYYLCVNKISEARRYFSKSSTMDPQFGPAWIGFAHSFAIEGEHDQAISAYTTAARLFQGTHLPYLFLGMQHMQLGNILLANEYLQSSYALFQYDPLLLNELGVVAFNKSDMQTAINHFQNALLLVKKTQSNEKPWAATWANLGHAYRKLKMYDAAIDALNQGLLLSTNDANVHTAIALVYLHKKIPGLAITHLHESLAISPNEIMASDLLKRALE- |
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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) -24595 for 2199 contacts (-11.2/contact) +
2D Compatibility (PS) -29943 + (NN) -18972 + (LL) 284
1D Compatibility (HY) -2800 + (ID) 1550
Total energy: -77576.0 ( -35.28 by residue)
QMean score : 0.350
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