Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MVQKKPAELQGFHRSFKGQNPFELAFSLDQPDHGDSDFGLQCSARPDMPASQPIDIPDAKKRGKKKKRGRATDSFSGRFEDVYQLQEDVLGEGAHARVQTCINLITSQEYAVKIIEKQPGHIRSRVFREVEMLYQCQGHRNVLELIEFFEEEDRFYLVFEKMRGGSILSHIHKRRHFNELEASVVVQDVASALDFLHNKGIAHRDLKPENIL-CEHPNQVSPVKICDFDLGSGIKLNGDCSPISTPELLTPCGSAEYMAPEVVEAFSEEASIYDKRCDLWSLGVILYILLSGYPPFVGRCGSDCGWDRGEACPACQNMLFESIQEGKYEFPDKDWAHISCAAKDLISKLLVRDAKQRLSAAQVLQHPWVQGCAPENTLPTPMVLQRNSCAKDLTSFAAEAIAMNRQLAQHDEDLAEEEAAGQGQPVLVRATSRCLQLSPPSQSKLAQRRQRASLSSAPVVLVGDHA |
4D9T Chain:A ((17-315)) | ---------------------------------------------------------------------------SIQFTDGYEVKEDI-GVGSYSVCKRCIHKATNMEFAVKIIDKS----KRDPTEEIEILLRYGQHPNIITLKDVYDDGKYVYVVTELMKGGELLDKILRQKFFSEREASAVLFTITKTVEYLHAQGVVHRDLKPSNILYVDESGNPESIRICDFGFAKQLRAENGL-------LMTPCYTANFVAPEVLERQG-----YDAACDIWSLGVLLYTMLTGYTPFAN--GPD---DTPEE-------ILARIGSGKFSLSGGYWNSVSDTAKDLVSKMLHVDPHQRLTAALVLRHPWI---VHWDQLPQYQLNRQDAPHLVKGAMAATYSALNRN------------------------------------------------------------ |
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General information:
TITO was launched using:
| RESULT:
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Template: 4D9T.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -132383 for 2315 contacts (-57.2/contact) +
2D Compatibility (PS) -32063 + (NN) -18643 + (LL) 8116
1D Compatibility (HY) -26800 + (ID) 5700
Total energy: -207473.0 ( -89.62 by residue)
QMean score : 0.414
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