Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MAKAKFQRTKPHVNIGTIGHVDHGKTTLTAAITKVLHDKFP-------DLNETKAFDQIDNAPEERQRGITINIAHVEYQTDKRHYAHVDAPGHADYIKNMITGAAQMDGAILVVAATDGPMPQTREHVLLARQVGVPYILVALNKADAVD-DEELLELVEMEVRELLAAQEFDEDAPVVRVSALKALEGD-----AKWVASVEELMNAVDESIPDPVRETDKPFLMPVEDVFTITGRGTVVTGRVERGVINVNEEVEIVGIRPS---TTKTTVTGVEMFRKLLDQGQAGDNVGLLLRGVKREDVERGQVVTKPGTT----TPHTEFEGQVYILSKDEGGRHTPFFNNYRPQFYFRTTDVTGVVTLPE-------------GTEMVMPGDNTNISVKLIQPVAMDEG------LRFAIREGGRTVGAGRVTKIIK |
3WY9 Chain:A ((5-425)) | ---------KPHVNIVFIGHVDHGKSTTIGRLLYDTGNIPETIIKKFE---SFKFAWVMDRLKEERERGITIDVAHTKFETPHRYITIIDAPGHRDFVKNMITGASQADAAVLVVAATDGVMPQTKEHAFLARTLGIKHIIVTINKMDMVNYDQKVFEKVKAQVEKLLKTLGYK-DFPVIPTSAWNGDNVVKKSDKMPWYNG-PTLIEALDQ-IPEPEKPIDKPLRIPIQDVYSIKGVGTVPVGRVETGKLKVGDVVIFEPASTIFHKPIQGEVKSIEMHHEPLQEALPGDNIGFNVRGVSKNDIKRGDVAGHTDKPPTVVRTKDTFKAQIIVLNH-----PTAITVGYSPVLHAHTAQIPVRFEQILAKVDPRTGNIVEENPQFIKTGDSAIVVLRPMKPVVLEPVKEIPQLGRFAIRDMGMTIAAGMVISIQ- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3WY9.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -151540 for 3060 contacts (-49.5/contact) +
2D Compatibility (PS) -40883 + (NN) -15430 + (LL) 1164
1D Compatibility (HY) -23200 + (ID) 7100
Total energy: -236989.0 ( -77.45 by residue)
QMean score : 0.470
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