Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MDQKKYSWRKFFQLLISAKPANWIIFCALFASVITTVAGLVVPLFTKNLIDGFSIASLDVKMIALIVLAFILQAITNGFSIFLLNYMGQKVVATIRERLWKKIVHLPVSYFDNTKTGEMVSRMVNDTVVVKELIADHLPQFVTGIISVVGAIIILFFMDWKMTLIILVAVPITALVVAPLGQKMFKISKGLQNETANFTGSISQTLSEARLVKASNAETLETEAGHQGINRLFGFGIREAKVVAVLGPLIFFVVMGVIVGIIGYGGIRVSAGTMTTGTLIAFLLYLFQIIVPVTSFATFFAQLQKAKGATERIADILNETEE--DFDAGKKVDVSGKTIRASDISFSYNEGEPILKHVSFDTKPGEVIAFAGPSGGGKSTLFAILERFYQPKTGEILVGDIPLSEISINSWRTQIGYVSQESAMLSGTIRDNLCYGLDREIT--EDELWNVAKLAYADGFISELPDKMATEVGERGVKLSGGQRQRIAIARAFLRNPNILMLDEATASLDSQSEQIVQQALANLMEGRTTFVIAHRLSTIVNADQILFIEHGEITGRGTHSELVASHPLYASFAEQQLK |
3NHA Chain:A ((26-289)) | ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------ENMFDLLKEETEVKDLPGAGPLRFQKGRIEFENVHFSYAD-RETLQDVSFTVMPGQTLALVGPSGAGKSTILRLLFRFYDISSGCIRIDGQDISQVTQASLRSHIGVVPQDTVLFNDTIADNIRYG---RVTAGNDEVEAAAQAAGIHDAIMAFPEGYRTQVGERGLKLSGGEKQRVAIARTILKAPGIILLDEATSALDTSNERAIQASLAKVCANRTTIVVAHRLSTVVNADQILVIKDGCIVERGRHEALLSRGGVYADMWQLQ-- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3NHA.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -138421 for 2031 contacts (-68.2/contact) +
2D Compatibility (PS) -27862 + (NN) -8138 + (LL) 28632
1D Compatibility (HY) -23600 + (ID) 5450
Total energy: -174839.0 ( -86.09 by residue)
QMean score : 0.549
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