Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MVQKKPAELQGFHRSFKGQNPFELAFSLDQPDHGDSDFGLQCSARPDMPASQPIDIPDAKKRGKKKKRGRATDSFSGRFEDVYQLQEDVLGEGAHARVQTCINLITSQEYAVKIIEKQPGHIR-SRVFREVEMLYQCQGHRNVLELIEFFEEEDRFYLVFEKMRGGSILSHIHKRRHFNELEASVVVQDVASALDFLHNKGIAHRDLKPENILCEHPNQVSPVKICDFDLGSGIKLNGDCSPISTPELLTPCGSAEYMAPEVVEAFSEEASIYDKRCDLWSLGVILYILLSGYPPFVGRCGSDCGWDRGEACPACQNMLFESIQEGKYEFPDKDWAHISCAAKDLISKLLVRDAKQRLSAAQVLQHPWVQGCAPENTLPTPMVL-QRNSCAKDLTSFAAEAIAMNRQLAQHDEDLAEEEAAGQGQPVLVRATSRCLQLSPPSQSKLAQRRQRASLSSAPVVLVGDHA |
| 3IGO Chain:A ((17-314)) | ---------------------------------------------------------------------------QGTFAERYNIV-CMLGKGSFGEVLKCKDRITQQEYAVKVINKASAKNKTSTILREVELLKKLD-HPNIMKLFEILEDSSSFYIVGELYTGGELFDEIIKRKRFSEHDAARIIKQVFSGITYMHKHNIVHRDLKPENILLESKEKDCDIKIIDFGLSTCFQQN--------T-------TAYYIAPEVLRG------TYDEKCDVWSAGVILYILLSGTPPFYGKNEYD---------------ILKRVETGKYAFDLPQWRTISDDAKDLIRKMLTFHPSLRITATQCLEHPWIQKYSSET--PTISDLPSLESAMTNIRQFQAE-----KKLAQ--------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3IGO.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -156549 for 2167 contacts (-72.2/contact) +
2D Compatibility (PS) -30123 + (NN) -11487 + (LL) 8280
1D Compatibility (HY) -27600 + (ID) 6100
Total energy: -223579.0 ( -103.17 by residue)
QMean score : 0.435
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