Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MDQKKYSWRKFFQLLISAKPANWIIFCALFASVITTVAGLVVPLFTKNLIDGFSIASLDVKMIALIVLAFILQAITNGFSIFLLNYMGQKVVATIRERLWKKIVHLPVSYFDNTKTGEMVSRMVNDTVVVKELIADHLPQFVTGIISVVGAIIILFFMDWKMTLIILVAVPITALVVAPLGQKMFKISKGLQNETANFTGSISQTLSEARLVKASNAETLETEAGHQGINRLFGFGIREAKVVAVLGPLIFFVVMGVIVGIIGYGGIRVSAGTMTTGTLIAFLLYLFQIIVPVTSFATFFAQLQKAKGATERIADILNETEEDFDAGKKVDVSGKTIRASDISFSYNEGEP-ILKHVSFDTKPGEVIAFAGPSGGGKSTLFAILERFYQPKTGEILVGDIPLSEISINSWRTQIGYVSQESAMLSGTIRDNLCYGLDREITEDELWNVAKLAYADGFISELPDKMATEVGERGVKLSGGQRQRIAIARAFLRNPNILMLDEATASLDSQSEQIVQQALANLMEGRTTFVIAHRLSTIVNADQILFIEHGEITGRGTHSELVAS-HPLYASFAEQQLK |
2FFA Chain:A ((12-245)) | ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------NIRFRYKPDSPVILDNINLSIKQGEVIGIVGRSGSGKSTLTKLIQRFYIPENGQVLIDGHDLALADPNWLRRQVGVVLQDNVLLNRSIIDNISLA-NPGMSVEKVIYAAKLAGAHDFISELREGYNTIVGEQGAGLSGGQRQRIAIARALVNNPKILIFDEATSALDYESEHVIMRNMHKICKGRTVIIIAARLSTVKNADRIIVMEKGKIVEQGKHKELLSEPESLYSYLYQLQ-- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2FFA.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -153001 for 1819 contacts (-84.1/contact) +
2D Compatibility (PS) -24718 + (NN) -3375 + (LL) 30644
1D Compatibility (HY) -23200 + (ID) 5000
Total energy: -178650.0 ( -98.21 by residue)
QMean score : 0.587
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