Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MVQKKPAELQGFHRSFKGQNPFELAFSLDQPDHGDSDFGLQCSARPDMPASQPIDIPDAKKRGKKKKRGRATDSFSGRFEDVYQLQEDVLGEGAHARVQTCINLITSQEYAVKIIEKQPGHIRS--RVFREVEMLYQCQGHRNVLELIEFFEEEDRFYLVFEKMRGGSILSHIHKRRHFNELEASVVVQDVASALDFLHNKGIAHRDLKPENILCEHPNQVSPVKICDFDLGSGIKLNGDCSPISTPELLTPCGSAEYMAPEVVEAFSEEASIYDKRCDLWSLGVILYILLSGYPPFVGRCGSDCGWDRGEACPACQNMLFESIQEGKYEFPDKDWAHISCAAKDLISKLLVRDAKQRLSAAQVLQHPWVQGCAPENTLPTPMVLQRNSCAKDLTSFAAEAIAMNRQLAQHDEDLAEEEAAGQGQPVLVRATSRCLQLSPPSQSKLAQRRQRASLSSAPVVLVGDHA |
| 3BHH Chain:B ((4-264)) | --------------------------------------------------------------------------------DEYQLYEDI-GK---SVVRRCVKLCTGHEYAAKIINTKKLSARDHQKLEREARIC-RLLKHSNIVRLHDSISEEGFHYLVFDLVTGGELFEDIVAREYYSEADASHCIQQILEAVLHCHQMGVVHRDLKPENLLLASKCKGAAVKLADF--GLAIEVQGD-----QQAWFGFAGTPGYLSPEVLR---KEA--YGKPVDIWACGVILYILLVGYPPF---------WDED------QHKLYQQIKAGAYDFPSPEWDTVTPEAKNLINQMLTINPAKRITAHEALKHPWVCQRSTVASMMHRQETVECLKKFNARRKLK-------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3BHH.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -152531 for 1974 contacts (-77.3/contact) +
2D Compatibility (PS) -27324 + (NN) -15702 + (LL) 8904
1D Compatibility (HY) -24400 + (ID) 5150
Total energy: -216203.0 ( -109.53 by residue)
QMean score : 0.474
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