Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MTVTIKTPDDIEKMRIAGRLAAEVLEMIGEHIKPGVTTEELDRICHDYIVNEQKAIPAPLNYKGFPKSICTSINHVVCHGIPNEKPLKEGDILNVDITVIKDGYHGDTSKMFLVGKTPEWADRLCQITQECMYKGISVVRPGAHLGDIGEIIQKHAEKNGFSVVREYCGHGIGKVFHEEPQVLHYGRAGTGIELKEGMIFTIEPMINQGRPETRLLGDGWTAITKDRKLSAQWEHTVLVTADGYEILTLRNDETFPRTSAA |
3PKA Chain:A ((38-284)) | -EPWVQTPEVIEKMRVAGRIAAGALAEAGKAVAPGVTTDELDRIAHEYLV-DNGAYPSTLGYKGFPKSCCTSLNEVICHGIPDSTVITDGDIVNIDVTAYIGGVHGDTNATFPAGDVADEHRLLVDRTREATMRAINTVKPGRALSVIGRVIESYANRFGYNVVRDFTGHGIGTTFHNGLVVLHYDQPAVETIMQPGMTFTIEPMINLGALDYEIWDDGWTVVTKDRKWTAQFEHTLLVTDTGVEILTC------------ |
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General information:
TITO was launched using:
| RESULT:
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Template: 3PKA.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -137568 for 2221 contacts (-61.9/contact) +
2D Compatibility (PS) -26989 + (NN) -7759 + (LL) 632
1D Compatibility (HY) -20400 + (ID) 6000
Total energy: -198084.0 ( -89.19 by residue)
QMean score : 0.527
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