Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | METVLTARDLTRHYEVSRGLFKGHAQVRALNGVSFELEAGKTLAVVGESGCGKSTLARALTLIEEPTSGSLKIAGQEVKGASKDQRRQLRRDVQMVFQNPYASLNPRQKIGDQLAEPLLINTALSREERREKVQQMMRQVGLRPEHYQRYPHMFSGGQRQRIALARAMMLQPKVLVADEPTSALDVSIQAQVLNLFMDLQQQFRTAYVFISHNLAVVRHVADDVLVMYLGRPAEMGPADKLYENPLHPYTRALLSATPAIHPDPTKPKIRIQGELPNPLNPPEGCAFHKRCPYATERCRSEVPELRLLDQRQVACHHAEQFLG |
3C41 Chain:K ((9-239)) | -------------------LKKSFGSLEVLKGINVHIREGEVVVVIGPSGSGKSTFLRCLNLLEDFDEGEIIIDGINLK-AKDTNLNKVREEVGMVFQR--FNLFPHMTVLNNITLAPMKVRKWPREKAEAKAMELLDKVGLKDKAHA-YPDSLSGGQAQRVAIARALAMEPKIMLFDEPTSALDPEMVGEVLSVMKQLANEGMTMVV-VTHEMGFAREVGDRVLFMDGGYIIEEGKPEDLFDRPQHERTKAFLS-------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3C41.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -94152 for 1873 contacts (-50.3/contact) +
2D Compatibility (PS) -25218 + (NN) -10627 + (LL) 5092
1D Compatibility (HY) -17200 + (ID) 4000
Total energy: -146105.0 ( -78.01 by residue)
QMean score : 0.467
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