Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKATQSTINDFFALTGTIFSIPVYQRNYTWEEENCEKLLQDIVNISQNKKTHFMGSITYILHLIDDEKSLRQLQEFVIIDGQQRITTIMLLLKAIETKIQNEGIKKEIDGLLNLSGQRLRLKPIKSDKEAFDLVMQNRSHEIQGVSHIKNNYKFFTKELDNYISKGYRIEEIYGAFLWLKIVAIGLELGEDDPQVVFESINATGVQLKGLDLIRNYLMMGENSDNQNRLYNTYWVPLENWLGEKDLNDFIKTYLRIYFEDRVKEGEREVYYALKAHHRDNFPNNIQGLMSDMREYGRIFQIFLDRDHYFLHRGDPQQLANLRLRVKDLVKIKFGVAKPFVLRCARDFEEGKLDYENFHEILQILISYFVRRSVCGDSTPTLTRVLYSLYRQLGEDVSADALKRYLGKSVGQMAFPNDDKIKAAFLVRNAYAANQVCKFILLEIEKLSNAEPPKEENLEVEHFYPKTPTQEWRDRVGDYFTFEQDYLNNFGNLTLSGQNQRLGNKSYEAKIALMEEYSSLHLNDYFTNNTDSWGIEEVRARSEYLADQFCQVGLFKDLPKEYRARELHKTLDDNLTNHNLQSVKLPNDQRRMAGNAKELASVVIDYLLENAREAFESYTDDESQK----YIYWSKAKAEARDRDGTLVVPFEKYGFYFVSNASYQTTGSNLKDLILGCNLNPRDFVVE |
2BUR Chain:A ((8-107)) | -------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------ELKETPSQTGGPYVHIGL---LPKQANIEVFEHNLDNNLVQDNTQGQRIRLEGQVFDGLGLPLRDVLIEIWQADTNGVYPSQADTQGKQVDPNFLGWGRTGADFGTGFWSFNTIKPGAVPGRKGSTQAPHISLIIFARGINIGLHTRVYFDD |
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General information:
TITO was launched using:
| RESULT:
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Template: 2BUR.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) 4658 for 480 contacts (9.7/contact) +
2D Compatibility (PS) -9393 + (NN) 3068 + (LL) 38132
1D Compatibility (HY) -5200 + (ID) 1000
Total energy: 30265.0 ( 63.05 by residue)
QMean score : 0.160
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