Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MDQKKYSWRKFFQLLISAKPANWIIFCALFASVITTVAGLVVPLFTKNLIDGFSIASLDVKMIALIVLAFILQAITNGFSIFLLNYMGQKVVATIRERLWKKIVHLPVSYFDNTKTGEMVSRMVNDTVVVKELIADHLPQFVTGIISVVGAIIILFFMDWKMTLIILVAVPITALVVAPLGQKMFKISKGLQNETANFTGSISQTLSEARLVKASNAETLETEAGHQGINRLFGFGIREAKVVAVLGPLIFFVVMGVIVGIIGYGGIRVSAGTMTTGTLIAFLLYLFQIIVPVTSFATFFAQLQKAKGATERIADILNETEEDFDAGKKVDVSGKTIRASDISFSYNEGEPILKHVSFDTKPGEVIAFAGPSGGGKSTLFAILERFYQPKTGEILVGDIPLS--EISINSWRTQIGYVSQESAMLSG-TIRDNLCYGLDREITEDELWNVAKLAYADGFISELPDKMATEVGERGV--KLSGGQRQRIAIARAFLRNPNILMLDEATASLDSQ--SEQI-VQQALANLMEGRTTFVIAHRLSTIVN-ADQILFIEHGEITGRGTHSELVASHPLYASFAEQQLK |
| 3C41 Chain:K ((18-225)) | ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------VLKGINVHIREGEVVVVIGPSGSGKSTFLRCLNLLEDFDEGEIIIDGINLKAKDTNLNKVREEVGMVFQRFNLFPHMTVLNNITLA----PMKVRKWPREK---AEAKAMELLDKVGLKDKAHAYPDSLSGGQAQRVAIARALAMEPKIMLFDEPTSALDPEMVGEVLSVMKQLAN--EGMTMVVVTHEMGFAREVGDRVLFMDGGYIIEEGKPEDL---------------- |
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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) -99516 for 1537 contacts (-64.7/contact) +
2D Compatibility (PS) -21388 + (NN) -5081 + (LL) 32896
1D Compatibility (HY) -16400 + (ID) 3450
Total energy: -112939.0 ( -73.48 by residue)
QMean score : 0.427
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