Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MVQKKPAELQGFHRSFKGQNPFELAFSLDQPDHGDSDFGLQCSARPDMPASQPIDIPDAKKRGKKKKRGRATDSFSGRFEDVYQLQEDVLGEGAHARVQTCINLITSQEYAVKIIEKQPGHIRSRVFREVEMLYQCQGHRNVLELIEFFEE----EDRFYLVFEKMRGGSILSHIHKRRHFNELEASVVVQDVASALDFLHNKGIAHRDLKPENIL--CEHPNQVSPVKICDFDLGSGIKLNGDCSPISTPELLTPCGSAEYMAPEVVEAFSEEASIYDKRCDLWSLGVILYILLSGYPPFVGRCGSDCGWDRGEACPACQNMLFESIQEGKYEFPDKDWAHISCAAKDLISKLLVRDAKQRLSAAQVLQHPWVQGCA--PENTLPTPMVLQRNSCAKDLTSFAAEAIAMNRQLAQHDEDLAEEEAAGQGQPVLVRATSRCLQLSPPSQSKLAQRRQRASLSSAPVVLVGDHA |
| 1NY3 Chain:A ((61-345)) | --------------------------------------------------------------------------------DDYKVTSQVLGLGINGKVLQIFNKRTQEKFALKMLQDCP-----KARREVELHWRASQCPHIVRIVDVYENLYAGRKCLLIVMECLDGGELFSRIQD----TEREASEIMKSIGEAIQYLHSINIAHRDVKPENLLYTSKRPNAI--LKLTDFGFAK--------ETTSH---------PYYVAPEVLGP-----EKYDKSCDMWSLGVIMYILLCGYPPFYS-------------------GMKTRIRMGQYEFPNPEWSEVSEEVKMLIRNLLKTEPTQRMTITEFMNHPWIMQSTKVPQTPLHTSRVLKED------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 1NY3.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -138985 for 1858 contacts (-74.8/contact) +
2D Compatibility (PS) -26771 + (NN) -13136 + (LL) 9820
1D Compatibility (HY) -24800 + (ID) 4700
Total energy: -198572.0 ( -106.87 by residue)
QMean score : 0.376
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