Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MTLYLDGETLTIEDIKSFLQQQSKIEIIDDALERVKKSRAVVERIIENEETVYGITTGFGLFSDVRIDPTQYNELQVNLIRSHACGLGEPFSKEVALVMMILRLNTLLKGHSGATLELVRQLQFFINERIIPIIPQQGSLGASGDLAPLSHLALALIGEGKVLYRGEEKDSDDVLRELNRQPLNLQAKEGLALINGTQAMTAQGVISYIEAEDLGYQSEWIAALTHQSLNGIIDAYRHDVHSVRNFQEQINVAARMRDWLEGST---LTTRQAEIRVQDAYTLRCIPQIHGASFQVFNYVKQQLEFEMNAANDNPLIFEEANETFVISGGNFHGQPIAFALDHLKLGVSELANVSERRLERLVNPQLNGDLPAFLSPEPGLQSGAMIMQYAAASLVSENKTLAHPASVDSITSSANQEDHVSMGTTAARHGYQIIENARRVLAIECVIALQAAELKGVEGLSPKTRRKYEEFRSIVPSITHDRQFHKDIEAVAQYLKQSIYQTTACH |
1GKJ Chain:A ((3-494)) | --LTLKPGTLTLAQLRAIHAAPVRLQLDASAAPAIDASVACVEQIIAEDRTAYGINTGFGLLASTRIASHDLENLQRSLVLSHAAGIGAPLDDDLVRLIMVLKINSLSRGFSGIRRKVIDALIALVNAEVYPHIPLKGSVGASGDLAPLAHMSLVLLGEGKARYKGQWLSATEALAVAGLEPLTLAAKEGLALLNGTQASTAYALRGLFYAEDLYAAAIACGGLSVEAVLGSRSPFDARIHEARGQRGQIDTAACFRDLLGDSSEVSLSHKNAD-KVQDPFSLRCQPQVMGACLTQLRQAAEVLGIEANAVSDNPLVF--AAEGDVISGGNFHAEPVAMAADNLALAIAEIGSLSERRISLMMDKHMS-QLPPFLVENGGVNSGFMIAQVTAAALASENKALSHPHSVDSLPTSANQEDHVSMAPAAGKRLWEMAENTRGVLAIEWLGACQGLDLRKGLKTSAKLEKARQALRSEVAHYDRDRFFAPDIEKAVELLAK--------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 1GKJ.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -210244 for 4401 contacts (-47.8/contact) +
2D Compatibility (PS) -52660 + (NN) -26050 + (LL) 1236
1D Compatibility (HY) -32800 + (ID) 9900
Total energy: -330418.0 ( -75.08 by residue)
QMean score : 0.504
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