Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MVQKKPAELQGFHRSFKGQNPFELAFSLDQPDHGDSDFGLQCSARPDMPASQPIDIPDAKKRGKKKKRGRATDSFSGRFEDVYQLQEDVLGEGAHARVQTCINLITSQEYAVKIIEKQPGHIRSRVFREVEMLYQCQGHRNVLELIEFFEE----EDRFYLVFEKMRGGSILSHIHKRRHFNELEASVVVQDVASALDFLHNKGIAHRDLKPENIL--CEHPNQVSPVKICDFDLGSGIKLNGDCSPISTPELLTPCGSAEYMAPEVVEAFSEEASIYDKRCDLWSLGVILYILLSGYPPFVGRCGSDCGWDRGEACPACQNMLFESIQEGKYEFPDKDWAHISCAAKDLISKLLVRDAKQRLSAAQVLQHPWVQGCA--PENTLPTPMVLQRNSCAKDLTSFAAEAIAMNRQLAQHDEDLAEEEAAGQGQPVLVRATSRCLQLSPPSQSKLAQRRQRASLSSAPVVLVGDHA |
| 2PZY Chain:A ((21-305)) | --------------------------------------------------------------------------------DDYKVTSQVLGLGINGKVLQIFNKRTQEKFALKMLQDCP-----KARREVELHWRASQCPHIVRIVDVYENLYAGRKCLLIVMECLDGGELFSRIQDR-AFTEREASEIMKSIGEAIQYLHSINIAHRDVKPENLLYTSKRPNAI--LKLTDFGFAK--------ETT-----------PYYVAPEVLGP-----EKYDKSCDMWSLGVIMYILLCGYPPFYSNHGL-----------AISPGMKTRIRMGQYEFPNPEWSEVSEEVKMLIRNLLKTEPTQRMTITEFMNHPWIMQSTKVPQTPLHTSRVLKEDK------------------------------------------------------------------------------ |
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General information:
TITO was launched using:
| RESULT:
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Template: 2PZY.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -146492 for 1986 contacts (-73.8/contact) +
2D Compatibility (PS) -27901 + (NN) -11267 + (LL) 9228
1D Compatibility (HY) -25200 + (ID) 4850
Total energy: -206482.0 ( -103.97 by residue)
QMean score : 0.373
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