Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MVQKKPAELQGFHRSFKGQNPFELAFSLDQPDHGDSDFGLQCSARPDMPASQPIDIPDAKKRGKKKKRGRATDSFSGRFEDVYQLQEDVLGEGAHARVQTCINLITSQEYAVKIIEKQPGHIRSRVFREVEMLYQCQGHRNVLELIEFFEEEDRFYLVFEKMRGGSILSHIHKRRHFNELEASVVVQDVASALDFLHNKGIAHRDLKPENIL-CEHPNQVSPVKICDFDLGSGIKLNGDCSPISTPELLTPCGSAEYMAPEVVEAFSEEASIYDKRCDLWSLGVILYILLSGYPPFVGRCGSDCGWDRGEACPACQNMLFESIQEGKYEFPDKDWAHISCAAKDLISKLLVRDAKQRLSAAQVLQHPWVQGCAPENTLPTPMVLQRNSCAKDLTSFAAEAIAMNRQLAQHDEDLAEEEAAGQGQPVLVRATSRCLQLSPPSQSKLAQRRQRASLSSAPVVLVGDHA |
| 4D9U Chain:A ((17-316)) | ---------------------------------------------------------------------------SIQFTDGYEVKEDI-GVGSYSVCKRCIHKATNMEFAVKIIDKS----KRDPTEEIEILLRYGQHPNIITLKDVYDDGKYVYVVTELMKGGELLDKILRQKFFSEREASAVLFTITKTVEYLHAQGVVHRDLKPSNILYVDESGNPESIRICDFGFAKQLRAENGL-------LMTPCYTANFVAPEVLERQG-----YDAACDIWSLGVLLYTMLTGYTPFAN--GPD---DTPEE-------ILARIGSGKFSLSGGYWNSVSDTAKDLVSKMLHVDPHQRLTAALVLRHPWI---VHWDQLPQYQLNRQDAPHLVKGAMAATYSALNRNQ----------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4D9U.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -139530 for 2333 contacts (-59.8/contact) +
2D Compatibility (PS) -32100 + (NN) -19491 + (LL) 7940
1D Compatibility (HY) -26400 + (ID) 5700
Total energy: -215281.0 ( -92.28 by residue)
QMean score : 0.423
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