Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MTDDPGSGFTTVWNAVVSELNGDPKVDDGPSSDANLSAPLTPQQRAWLNLVQPLTIVEGFALLSVPSSFVQNEIERHLRAPITDALSRRLGHQIQLGVRIAPPATDEADDTTVPPSENPATTSPDTTTDNDEIDDSAAARGDNQHSWPSYFTERPHNTDSATAGVTSLNRRYTFDTFVIGASNRFAHAAALAIAEAPARAYNPLFIWGESGLGKTHLLHAAGNYAQRLFPGMRVKYVSTEEFTNDFINSLRDDRKVAFKRSYRDVDVLLVDDIQFIEGKEGIQEEFFHTFNTLHNANKQIVISSDRPPKQLATLEDRLRTRFEWGLITDVQPPELETRIAILRKKAQMERLAVPDDVLELIASSIERNIRELEG--ALIRVTAFASLNKTPIDKALAEIVLRDLIADANTMQISAATIMAATAEYFDTTVEELRGPGKTRALAQSRQIAMYLCRELTDLSLPKIGQAFGRDHTTVMYAQRKILSEMAERREVFDHVKELTTRIRQRSKR |
2HCB Chain:C ((3-310)) | -----------------------------------------------------------------------------------------------------------------------------------------------------------------------LNPKYTLENFIVGEGNRLAYEVVKEALENLGSLYNPIFIYGSVGTGKTHLLQAAGNEAKK--RGYRVIYSSADDFAQAMVEHLKKGTINEFRNMYKSVDLLLLDDVQFLSGKERTQIEFFHIFNTLYLLEKQIILASDRHPQKLDGVSDRLVSRFEGGILVEIELDN-KTRFKIIKEKLKEFNLELRKEVIDYLLENT-KNVREIEGKIKLIKLKGFEGLERKERKE-------RD-----KLMQ-----IVEFVANYYAVKVEDILSDK-NKRTSEARKIAMYLCRKVCSASLIEIARAF--DHTTVIHAIRSVEEEKK--RK-FKHL------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2HCB.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -118283 for 2207 contacts (-53.6/contact) +
2D Compatibility (PS) -32194 + (NN) -12510 + (LL) 10880
1D Compatibility (HY) -26400 + (ID) 6000
Total energy: -184507.0 ( -83.60 by residue)
QMean score : 0.448
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