Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MARENGESSSSWKKQAEDIKKIFEFKETLGTGAFSEVVLAEEKATGKLFAVKCIPKKALKGKE-----SSIENEIAVLRKIKHENIVALEDIYESPNHLYLVMQLVSGGELFDRIVEKGFYTEKDASTLIRQVLDAVYYLHRMGIVHRDLKPENLLYYSQD-EESKIMISDFGLSKMEGKGDVMSTACGTPGYVAPEVLAQKPYSKAVDCWSIGVIAYILLCGYPPFYDENDSKLFEQILKAEYEFDSPYWDDISDSAKDFIRNLMEKDPNKRYTCEQAARHPWIAGDTALNKNIHESVSAQIRKNFAKSKWRQAFNATAVVRHMRKLHLGSSLDSSNASVSSSLSLASQKDCLAPSTLCSFISSSSGVSGVGAERRPRPTTVTAVHSGSK |
3ZXT Chain:B ((7-275)) | ----------------ENVDDYYDTGEELGSGQFAVVKKCREKSTGLQYAAKFIKKRRTKS-RRGVSREDIEREVSILKEIQHPNVITLHEVYENKTDVILILELVAGGELFDFLAEK--LTEEEATEFLKQILNGVYYLHSLQIAHFDLKPENIMLLDRNVPKPRIKIIDFGLAHKID----------TPEFVAPEIVNYEPLGLEADMWSIGVITYIL-SGASPFLGDTKQETLANVSAVNYEFEDEYFS---ALAKDFIRRLLVKDPKKRMTIQDSLQHPWI---------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3ZXT.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -140453 for 1766 contacts (-79.5/contact) +
2D Compatibility (PS) -26066 + (NN) -8406 + (LL) 7076
1D Compatibility (HY) -25200 + (ID) 5100
Total energy: -198149.0 ( -112.20 by residue)
QMean score : 0.533
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