Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSRSKRDNNFYSVEIGDSTFTVLKRYQNLKPIGSGAQGIVCAAYDAILERNVAIKKLSRPFQNQTHAKRAYRELVLMKCVNHKNIIGLLNVFTPQK-SLEEFQDVYIVMELMDANLCQVIQM--ELDHERMSYLLYQMLCGIKHLHSAGIIHRDLKPSNIVVKSDCTLKILDFGLARTAGTS-FMMTPYVVTRYYRAPEVILG-MGYKENVDLWSVGCIMGEMVCHKILFPGRDYIDQWNKVIEQLGTPCPEFMKKLQPTVRTYVENRPKYAGYSFEKLFPDVLFPADSEHNKLKASQARDLLSKMLVIDASKRISVDEALQHPYINVWYDPSEAEAPPPKIPDKQLDEREHTIEEWKELIYKEVMDLEERTKNGVIRGQPSPLGAAVINGSQHPSSSSSVNDVSSMSTDPTLASDTDSSLEAAAGPLGCCR |
4O2Z Chain:A ((23-376)) | -SVPKIVGDFKVYNVSGSPFEVPSKYTLLKILGMGAYGIACSCLDGDTGEKVSIKKCRDVFRDVEDGKRVLREIDMMRFFHHENLLNVVNILPPLKREYHSFEDVYVVTPLMDVDMNVVLRSRQVLEESHMQYFVYQILRGLKYLHSANVAHRDLKPANLVTNISCELKIIDFGLSRS--VPYSELTDYVITRWYRPPELLLENTNYSTAVDIWSVGCIFAEMYNRKPVFPGRNTMDQLRMIAQHIGKPPASIVEHR--EALEKLNELP-DGSLNIPKLVPGLAG----------NTEGIDFLSKMWTLDPSKRPTAADMLAHPYLAHLHDEEDE-PTCPCPFLWAHESTPMGVSELRRAFWADIVDYN--------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4O2Z.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -217077 for 2712 contacts (-80.0/contact) +
2D Compatibility (PS) -35963 + (NN) -8235 + (LL) 2088
1D Compatibility (HY) -29200 + (ID) 6000
Total energy: -294387.0 ( -108.55 by residue)
QMean score : 0.361
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