Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKLIKNGKVL-QNGELQQADILIDGKVIKQIAPAIEPSNGVDIIDAKGHFVSPGFVDVHVHLREPGGEYKETIETGTKAAARGGFTTVCPMPNTRPVPDSVEHFEALQKLIDDNAQVRVLPYASITTRQLGKELVDFPALVKEGAFAFTDDGVGVQTASMMYEGMIEAAKVNKAIVAHCEDNSLIYGGAMHEGKRSKELGIPGIPNICESVQIARDVLLAEAAGCHYHVCHVSTKESVRVIRDAKRAGIHVTAEVTPHHLLLTEDDIPGNNAIYKMNPPLRSTEDREALLEGLLDGTIDCIATDHAPHARDEKAQPMEKAPFGIVGSETAFPLLYTHFVKNGDWTLQQLVDYLTIKPCETFNLEYGTLKENGYADLTIIDLDSEQEIKGEDFLSKADNTPFIGYKVYGNPILTMVEGEVKFEGDK |
3MPG Chain:B ((4-422)) | --LFKNGRYMNEEGKIVATDLLVQDGKIAKVAENITADNA-EVIDVNGKLIAPGLVDVHVHLREPGGEHKETIETGTLAAAKGGFTTICAMPNTRPVPDCREHMEDLQNRIKEKAHVNVLPYGAITVRQAGSEMTDFETLKELGAFAFTDDGVGVQDASMMLAAMKRAAKLNMAVVAHCEENTLINKGCVHEGKFSEKHGLNGIPSVCESVHIARDILLAEAADCHYHVCHVSTKGSVRVIRDAKRAGIKVTAEVTPHHLVLCEDDIPSADPNFKMNPPLRGKEDHEALIEGLLDGTIDMIATDHAPHTAEEKAQGIERAPFGITGFETAFPLLYTNLVKKGIITLEQLIQFLTEKPADTFGLEAGRLKEGRTADITIIDLEQEEEIDPTTFLSKGKNTPFAGWKCQGWPVMTIVGGKIAWQ--- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3MPG.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -174696 for 3844 contacts (-45.4/contact) +
2D Compatibility (PS) -45344 + (NN) -17959 + (LL) 280
1D Compatibility (HY) -40800 + (ID) 13200
Total energy: -291719.0 ( -75.89 by residue)
QMean score : 0.538
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