Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MHAIEVTETGGPGVLRHVDQPQPQPGHGELLIKAEAIGVNFIDTYFRSGQYPREL--PFVIGSEVCGTVEAVGPGVTAADTAISVGDRVVSASANGAYAEFCTAPASLTAKVPDDVTSEVAASALLKGLTAHYLLKSVYPVKRGDTVLVHAGAGGVGLILTQWATHLGVRVITTVSTAEKAKLSKDAGADVVLDYPEDAWQFAGRVRELTGGTGVQAVYDGVGATTFDASLASLAVRGTLALFGAASGPVPPVDPQRLNAAGSVYLTRPSLFHFTRTGEEFSWRAAELFDAIGSEAITVAVGGRYPLADALRAHQDLEARKTVGSVVLLP |
2WEK Chain:B ((24-244)) | ------------------DCPVPLPGDGDLLVRNRFVGVNASDINYSAGRYDPSVKPPFDIGFEGIGEVVALG---LSASARYTVG-QAVAYMAPGSFAEYTVVPASIATPVPS-VKPEYL-TLLVSGTTAYISLKELGGLSEGKKVLVTAAAGGTGQFAMQLSKKAKCHVIGTCSSDEKSAFLKSLGCDRPINYKTEP---VGTVLKQEYPEGVDVVYESVGGAMFDLAVDALATKGRLIVIGFISG---------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2WEK.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -116349 for 1757 contacts (-66.2/contact) +
2D Compatibility (PS) -23551 + (NN) -9059 + (LL) 6748
1D Compatibility (HY) -13200 + (ID) 4050
Total energy: -159461.0 ( -90.76 by residue)
QMean score : 0.411
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