Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSYKENLNPSSYTSKFTTPSSATAAQRVLRKEPYVSTFTTPSDNLLAQRTQLSRITPSASSSVPGRVAVSTEMPSQNTALAEMPKRKFTIDDFDIGRPLGKGKFGNVYLAREKQNKFIMALKVLFKSQLEKEGVEHQLRREIEIQSHLRHPNILRMYNYFHDRKRIYLMLEFAPRGELYKELQKHGRFDEQRSATFMEELADALHYCHERKVIHRDIKPENLLMGYKGELKIADFGWSVHAPSLRRRTMCGTLDYLPPEMIEGKTHDEKVDLWCAGVLCYEFLVGMPPFDSPSHTETHRRIVNVDLKFPPFLSDGSKDLISKLLRYHPPQRLPLKGVMEHPWVKANSRRVLPPVYQSTQSK |
2VRX Chain:B ((1-279)) | ----------------------------------------------------------------------------NTALAEMPKRKFTIDDFDIGRPLG----GNVYLAREKQNKFIMALKVLFKSQLEKEGVEHQLRREIEIQSHLRHPNILRMYNYFHDRKRIYLMLEFAPRGELYKELQKHGRFDEQRSATFMEELADALHYCHERKVIHRDIKPENLLMGYKGELKIADFGWSVHAPSLRRR-MCGTLDYLPPEMIEGKTHDEKVDLWCAGVLCYEFLVGMPPFDSPSHTETHRRIVNVDLKFPPFLSDGSKDLISKLLRYHPPQRLPLKGVMEHPWVKANSRRVLPPVY------ |
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General information:
TITO was launched using:
| RESULT:
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Template: 2VRX.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -100383 for 2151 contacts (-46.7/contact) +
2D Compatibility (PS) -29149 + (NN) -18947 + (LL) 4420
1D Compatibility (HY) -20800 + (ID) 8750
Total energy: -173609.0 ( -80.71 by residue)
QMean score : 0.302
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