Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MTLYLDGETLTIEDIKSFLQQQSKIEIIDDALERVKKSRAVVERIIENEETVYGITTGFGLFSDVRIDPTQYNELQVNLIRSHACGLGEPFSKEVALVMMILRLNTLLKGHSGATLELVRQLQFFINERIIPIIPQQGSLGASGDLAPLSHLALALIGEGKVLYRGEEKDSDDVLRELNRQPLNLQAKEGLALINGTQAMTAQGVISYIEAEDLGYQSEWIAALTHQSLNGIIDAYRHDVHSV-RNFQEQINVAARMRDWLEGSTLTTRQAEIR-------------------VQDAYTLRCIPQIHGASFQVFNYVKQQLEFEMNAANDNPLIFEEANETFVISGGNFHGQPIAFALDHLKLGVSELANVSERRLERLVNPQLNGDLPAFL-SPEPGLQSGAMIMQYAAASLVSENKTLAHPASVDSITSSANQEDHVSMGTTAARHGYQIIENARRVLAIECVIALQAAELKG-VEGLSPKTRRKYEEFRSIVPSITHDRQFHKDIEAVAQYLKQSIYQTTACH |
3KDY Chain:A ((15-523)) | ----VDGETLTVEAVRRVAEERATVDVPAESIAKAQKSREIFEGIAEQNIPIYGVTTGYGAMIYMQVDKSKEVELQTNLVRSHSAGVGPLFAEDEARAIVAARLNTLAKGHSAVRPIILERLAQYLNEGITPAIPEIGSLG---DLAPLSHVASTLIGEGYVLRDGRPVETAQVLAERGIEPLELRFKEGLALINGTSGMTGLGSLVVGRALEQAQQAEIVTALLIEAVRGSTSPFLAEGHDIARPHEGQIDTAANMRALMRGSGLTVEHADLRRELQKDKEAGKDVQRSEIYLQKAYSLRAIPQVVGAVRDTLYHARHKLRIELNSANDNPLFF-EGKEIF--HGANFHGQPIAFAMDFVTIALTQLGVLAERQINRVLNRHLSYGLPEFLVSGDPGLHSGFAGAQYPATALVAENRTIG-PASTQSVPSNGDNQDVVSMGLISARNARRVLSNNNKILAVEYLAAAQAVDISGRFDGLSPAAKATYEAVRRLVPTLGVDRYMADDIELVADALSR--------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3KDY.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -213032 for 4473 contacts (-47.6/contact) +
2D Compatibility (PS) -52274 + (NN) -22962 + (LL) 1752
1D Compatibility (HY) -30800 + (ID) 10150
Total energy: -327466.0 ( -73.21 by residue)
QMean score : 0.548
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