Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MVDGFVQPVGEGLADQLVGHQVGYGGVQWDQCLAEVGDVAVVHFFHQAVRQVGFVEQGVEAVVAGEQRRRGEEELLGDLQHRLDPFLDAGFAGHAVGGVEQVRYLFDVGVDEAGEYVFRVLALRLDGAMQVGQAAGYQISQVTVAGFAEVRLLDEFTEGSGVHGVSHTTGMVKKRRNIAGGARRLRRDCHNRFVVMRG |
2HS1 Chain:A ((15-31)) | -----------------------------------------------------------------------------------------------IGG-QLKEALLDTGADDTIIEEMSLPGRWKPKMIGGIGGFIKVRQYDQIIIEIAGHKAIGTVLVGPTPVNIIGRNLLTQIGATLNF----------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2HS1.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -2602 for 43 contacts (-60.5/contact) +
2D Compatibility (PS) -1812 + (NN) -625 + (LL) 8268
1D Compatibility (HY) 400 + (ID) 300
Total energy: 3329.0 ( 77.42 by residue)
QMean score : -0.094
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