Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MVQKKPAELQGFHRSFKGQNPFELAFSLDQPDHGDSDFGLQCSARPDMPASQPIDIPDAKKRGKKKKRGRATDSFSGRFEDVYQLQEDVLGEGAHARVQTCINLITSQEYAVKIIEKQPGHIRSRVFREVEMLYQCQGHRNVLELIEFFEEEDRFYLVFEKMRGGSILSHIHKRRHFNELEASVVVQDVASALDFLHNKGIAHRDLKPENILCEHPNQVSPVKICDFDLGSGIKLNGDCSPISTPELLTPCGSAEYMAPEVVEAFSEEASIYDKRCDLWSLGVILYILLSGYPPFVGRCGSDCGWDRGEACPACQNMLFESIQEGKYEFPDKDWAHISCAAKDLISKLLVRDAKQRLSAAQVLQHPWVQGCAPENTLPTPMVLQRNSCAKDLTSFAAEAIAMNRQLAQHDEDLAEEEAAGQGQPVLVRATSRCLQLSPPSQSKLAQRRQRASLSSAPVVLVGDHA |
2JAM Chain:A ((15-267)) | ---------------------------------------------------------------------------------------EVLGSGAFSEVFLVKQRLTGKLFALKCIKKS------SLENEIAVLKKIK-HENIVTLEDIYESTTHYYLVMQLVSGGELFDRILERGVYTEKDASLVIQQVLSAVKYLHENGIVHRDLKPENLLYLTPEENSKIMITDFGL-SKMEQNGIMS--------TACGTPGYVAPEVL-----AQKPYSKAVDCWSIGVITYILLCGYPPFYEETESK---------------LFEKIKEGYYEFESPFWDDISESAKDFICHLLEKDPNERYTCEKALSHPWIDG----------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2JAM.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -135475 for 1809 contacts (-74.9/contact) +
2D Compatibility (PS) -26010 + (NN) -11779 + (LL) 11304
1D Compatibility (HY) -26400 + (ID) 5300
Total energy: -193660.0 ( -107.05 by residue)
QMean score : 0.434
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