Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MDQKKYSWRKFFQLLISAKPANWIIFCALFASVITTVAGLVVPLFTKNLIDGFSIASLDVKMIALIVLAFILQAITNGFSIFLLNYMGQKVVATIRERLWKKIVHLPVSYFDNTKTGEMVSRMVNDTVVVKELIADHLPQFVTGIISVVGAIIILFFMDWKMTLIILVAVPITALVVAPLGQKMFKISKGLQNETANFTGSISQTLSEARLVKASNAETLETEAGHQGINRLFGFGIREAKVVAVLGPLIFFVVMGVIVGIIGYGGIRVSAGTMTTGTLIAFLLYLFQIIVPVTSFATFFAQLQKAKGATERIADILNETEEDFDAGKKVDVSGKTIRASDISFSYNEGEPILKHVSFDTKPGEVIAFAGPSGGGKSTLFAILERFYQPKTGEILVGDIPLSEISINSWRTQIGYVSQESAMLSGTIRDNLCYGLDREITEDELWNVAKLAYADGFISELPDKMATEVGERGVKLSGGQRQRIAIARAFLRNPNILMLDEATASLDSQSEQIVQQALANLMEGRTTFVIAHRLSTIVNADQILFIEHGEITGRGTHSELVASHPLYASFAEQQLK |
3VX4 Chain:A ((29-262)) | -----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------SFLDGD-ISFENLSYKYGFGRDTLSDINLSIKKGSKVSLVGASGSGKTTLAKLIVNFYEPNKGIVRINGNDLKVIDKTALRRHISYLPQQAYVFSGSIMDNLVLGAKEGTSQEDIIRACEIAEIRSDIEQMPQGYQTELSD-GAGISGGQKQRIALARALLTQAPVLILDAATSSLDILTEKKIISNLLQMTE-KTIIFVAHRLSISQRTDEVIVMDQGKIVEQGTHKELLAKQGFY--------- |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 3VX4.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) -133156 for 1870 contacts (-71.2/contact) +
2D Compatibility (PS) -25235 + (NN) -8424 + (LL) 30540
1D Compatibility (HY) -18000 + (ID) 3850
Total energy: -158125.0 ( -84.56 by residue)
QMean score : 0.535
|
|
|