Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MARENGESSSSWKKQAEDIKKIFEFKETLGTGAFSEVVLAEEKATGKLFAVKCIPKKALKGKESSIENEIAVLRKIKHENIVALEDIYESPNHLYLVMQLVSGGELFDRIVEKGFYTEKDASTLIRQVLDAVYYLHRMGIVHRDLKPENLLYYSQDEESKIMISDFGLSKMEGKGDVMSTACGTPGYVAPEVLAQKPYSKAVDCWSIGVIAYILLCGYPPFYDENDSKLFEQILKAEYEFDSPYWDDISDSAKDFIRNLMEKDPNKRYTCEQAARHPWIAGDTALNKNIHESVSAQIRKNFAKSKWRQAFNATAVVRHMRKLHLGSSLDSSNASVSSSLSLASQKDCAYVAKPESLS |
4BKY Chain:A ((5-267)) | ---------------YDELLKYYELHETIGTGGFAKVKLACHILTGEMVAIKIMDKNTL--DLPRIKTEIEALKNLRHQHICQLYHVLETANKIFMVLEYCPGGELFDYIISQDRLSEEETRVVFRQIVSAVAYVHSQGYAHRDLKPENLLF---DEYHKLKLIDFGLCA-------------SLAYAAPELIQGK--GSEADVWSMGILLYVLMCGFLPFDDDNVMALYKKIMRGKYDV--PKW--LSPSSILLLQQMLQVDPKKRISMKNLLNHPWIMQD--------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4BKY.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -170384 for 1911 contacts (-89.2/contact) +
2D Compatibility (PS) -25875 + (NN) -10345 + (LL) 6064
1D Compatibility (HY) -28400 + (ID) 4600
Total energy: -233540.0 ( -122.21 by residue)
QMean score : 0.384
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