Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MKTTIKQAKDHLNQDVTIGAWLTNKRSSGKIAFLQLRDGTGFMQGVVVKSEVDEEVFKLAKEIAQESSLYVTGTITEDNRSDLGYEMQVKSIEVISEAHD-YPITPKNHGTEFL---MDHRHLWLRSKKQHAVMKIRNEVIRATYEFFNKDGFTKVDPPILTASAPEGTSELFHTKYFDQDAFLSQSGQLYLEAAAMAHG--KVFSFGPTFRAEKSKTRRHLIEFWMIEGEMAFT-NHAESLEIQEQYVTHVVKSVLENCKLELKILERDTSKLEKVATPFPRISYDDAIEFLKAEGFDDIEWGEDFGAPHETAIANHY----DLPV-FITNYPTKIKPFYMQPNPENEETVLCADLIAPEGYG-EIIGGSERVDDLELLEQRVKEHGLDEEAYSYYLDLRRYGSVPHCGFGLGLERTVAWISGVEHVRETAPFPRLLNRLYP |
| 3NEL Chain:A ((17-438)) | -------------QKVKVAGWVWEVKDLGGIKFLWIRDRDGIVQITAPKKKVDPELFKLIPKLRSEDVVAVEGVVNFTPKAKLGFEILPEKIVVLNRAETPLPLDPTGKVKAELDTRLDNRFMDLRRPEVMAIFKIRSSVFKAVRDFFHENGFIEIHTPKIIATATEGGTELFPMKYFEEDAFLAQSPQLY-KQIMMASGLDRVYEIAPIFRAEEHNTTRHLNEAWSIDSEMAFIEDEEEVMSFLERLVAHAINYVREHNAKELDIL---NFELEEPKLPFPRVSYDKALEILGDLG-KEIPWGEDIDTEGERLLGKYMMENENAPLYFLYQYPSEAKPFYIMKYDNKPEICRAFDL---EYRGVEISSGGQREHRHDILVEQIKEKGLNPESFEFYLKAFRYGMPPHGGFGLGAERLIKQMLDLPNIREVILFPRDRRRLTP |
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General information:
TITO was launched using:
| RESULT:
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Template: 3NEL.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -139174 for 3134 contacts (-44.4/contact) +
2D Compatibility (PS) -43690 + (NN) -16981 + (LL) 1680
1D Compatibility (HY) -29200 + (ID) 7900
Total energy: -235265.0 ( -75.07 by residue)
QMean score : 0.518
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