Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MTDDPGSGFTTVWNAVVSELNGDPKVDDGPSSDANLSAPLTPQQRAWLNLVQPLTIVEGFALLSVPSSFVQNEIERHLRAPITDALSRRLGHQIQLGVRIAPPATDEADDTTVPPSENPATTSPDTTTDNDEIDDSAAARGDNQHSWPSYFTERPHNTDSATAGVTSLNRRYTFDTFVIGASNRFAHAAALAIAEAPARAYNPLFIWGESGLGKTHLLHAAGNYAQRLFPGMRVKYVSTEEFTNDFINSLRDDRKVAFKRSYRDVDVLLVDDIQFIEGKEGIQEEFFHTFNTLHNANKQIVISSDRPPKQLATLEDRLRTRFEWGLITDVQPPELETRIAILRKKAQMERLAVPDDVLELIASSIERNIRELEG--ALIRVTAFASLNKTPIDKALAEIVLRDLIADANTMQISAATIMAATAEYFDTTVEELRGPGKTRALAQSRQIAMYLCRELTDLSLPKIGQAFGR-DHTTVMYAQRKILSEMAERREVFDHVKELTTRIRQRSKR |
3R8F Chain:C ((4-311)) | -----------------------------------------------------------------------------------------------------------------------------------------------------------------------LNPKYTLENFIVGEGNRLAYEVVKEALENLGSLYNPIFIYGSVGTGKTHLLQAAGNEAKK--RGYRVIYSSADDFAQAMVEHLKKGTINEFRNMYKSVDLLLLDDVQFLSGKERTQIEFFHIFNTLYLLEKQIILASDRHPQKLDGVSDRLVSRFEGGILVEIELDN-KTRFKIIKEKLKEFNLELRKEVIDYLLENT-KNVREIEGKIKLIKLKGFEGLERKERKE-------RD-----KLMQ-----IVEFVANYYAVKVEDILSDK-NKRTSEARKIAMYLCRKVCSASLIEIARAFKRKDHTTVIHAIRSVEEEK---RK-FKHL------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3R8F.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -124217 for 2255 contacts (-55.1/contact) +
2D Compatibility (PS) -32806 + (NN) -15738 + (LL) 11096
1D Compatibility (HY) -26400 + (ID) 6050
Total energy: -194115.0 ( -86.08 by residue)
QMean score : 0.534
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