Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKKKMFVVLALVLSLSLVLMACGGSKDDANSGDSKVLNVWAMGDEAKSLKELAQKFTKD-TGIEVKVQVIPWANAHDKLLTAVASKSGPDVVQMGTTWMPEFVEAGALLDITKDVEKSKNMNSDLFFPGSVKTTQFDGKTYGVPWYAETRVLFYRTDLLKKVGYNEAPKTWDELSDAALKLSKR-GKDMYGFAIDPNEQTTGFIFGRQNGSPLF-DKDGTPVFNKKPFVDTVTYLDSFIKNGSAPDTD-LGLDASQSFGGDGIVPMFMSGPWMVNTLKDTAP-DIDGKWATAVLPKKEN-NESSLGGANLSIFKYSDKKDDALKFMDYMSQPDVQLSWLKDTNSMPARMDAWEDDMLKNDPYYKVFGEQMKTAEPMPLIPQFEEIAQLYGKSWEQIYRGGADVQTQMDTFNDQVETLLKK |
3UOR Chain:A ((27-413)) | ---------------------------------KTTVRFWAMGKEAEVVAELVADFEKQNPTIHVDVQNIPMTAAHEKLLTAFAADGLPDVCQLGNTWLPEFALLDTLEPMQPYVARSKIVDPADYFPGVWDTNLVDGTLYGVPWYVDTRLLFYRKDLLREAGYSQMPKTWAEMEQVMAAIKRKVGPDRYAILMPLNEFEQQLSFALQQDDRLLRDHDNYGNFRGAGFRKALGFYDNMYQQGWAPKVSETQVSNVWYEFFNGYYAFYLSGPWNVREFKLRQPPGMEGNWGTAPLPGPNGLGAGIAGGSSLVIFKSSQHKDASWKLIEYLSQPQVQARFHAIIGDLPPRRSTWKLPSLANDALAHAFGDQLERVKATPKVLEWERIVQEMRLVTERVVRGGQSHDAAVQELDQRVDEILAK |
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General information:
TITO was launched using:
| RESULT:
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Template: 3UOR.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -134643 for 3271 contacts (-41.2/contact) +
2D Compatibility (PS) -40952 + (NN) -21623 + (LL) 2388
1D Compatibility (HY) -27200 + (ID) 6600
Total energy: -228630.0 ( -69.90 by residue)
QMean score : 0.580
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