Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MTDMWDVRITDTSLRDGSHHKRHQFTKDEVGAIVAALDAAGVPVIEVTHGDGLGGSSFNYGFSKTPEQELIKLAAATAKEARIAFLMLPGVGTKDDIKEARDNGGSICRIATHCTEADVSIQHFGLARELGLETVGFLMMAHTIAPEKLAAQARIMADAGCQCVYVVDSAGALVLDGVADRVSALVAELGEDAQVGFHGHENLGLGVANSVAAVRAGAKQIDGSCRRFGAGAGNAPVEALIGVFDKIGVKTGIDFFDIADAAEDVVRPAMPAECLLDRNALIMGYSGVYSSFLKHAVRQAERYGVPASALLHRAGQRKLIGGQEDQLIDIALEIKRELDSGAAVTH |
4LRS Chain:A ((13-343)) | ------VRITDSTLRDGSHAMAHQFTEEQVRATVHALDAAGVEVIEVSHGDGLGGSSFNYGFSAVDEIDLVAAAVDEAVNAKIAVLLLPGVGTVRDLKRAHDAGASVARIATHCTEADVSCQHFAAARELGMETVGFLMLAHRIGPEELARQARIMVDAGAQCVYVVDSAGALVLSDVQARVQALVREIGHEAQVGFHGHQNLSLGVANSVLAYQNGARQIDGALCALGAGAGNSPTEILAATFERLNIETGVNVQAALAAAEEVVRPYLPRLPWADRAAIVQGYAGVYSSFLLHAERAAERYGVPAHEILQRVGEAGYVGGQEDMIIDIAVQLAEE--------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4LRS.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -209995 for 3380 contacts (-62.1/contact) +
2D Compatibility (PS) -36472 + (NN) -18965 + (LL) 948
1D Compatibility (HY) -31200 + (ID) 10400
Total energy: -306084.0 ( -90.56 by residue)
QMean score : 0.612
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