Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MCDLIEPQPAEKIGKMKKLRRTLSESFSRIALKKDDTTFDEICVTKMSTRNCQGMDSVIKPLDTIPEDKKVRVQRTQSTFDPFEKPANQVKRVHSENNACINFKTSSTGKESPKVRRHSSPSSPTSPKFGKADSYEKLEKLGEGSYATVYKGKSKVNGKLVALKVIRLQEE-EGTPFTAIREASLLKGLKHANIVLLHDIIHTKETLTLVFEYVHTDLCQYMDKHP-GGLHPDNVKLFLFQLLRGLSYIHQRYILHRDLKPQNLLISDTGELKLADFGLARAKSVPSHTYSNEVVTLWYRPPDVLLGSTEYSTCLDMWGVGCIFVEMIQGVAAFPGMKDIQDQLERIFLVLGTPNEDTWPGVHSLPHFKPERFTLYSSKNLRQAWNKLSYVNHAEDLASKLLQCSPKNRLSAQAALSHEYFSDLPPRLWELTDMSSIFTVPNVRLQPEAGESMRAFGKNNSYGKSLSNSKH |
3R73 Chain:A ((9-297)) | -----------------------------------------------------------------------------------------------------------------------------------MENFQKVEKIGEGTYGVVYKARNKLTGEVVALKKIR----TEGVPSTAIREISLLKELNHPNIVKLLDVIHTENKLYLVFEFLHQDLKKFMDASALTGIPLPLIKSYLFQLLQGLAFCHSHRVLHRDLKPQNLLINTEGAIKLADFGLARAFGVPVRTYTHEVVTLWYRAPEILLGCKYYSTAVDIWSLGCIFAEMVTRRALFPGDSEI-DQLFRIFRTLGTPDEVVWPGVTSMPDYKPS-FPKWARQDFSKVVPPLD--EDGRSLLSQMLHYDPNKRISAKAALAHPFFQDVTKPVPHLRL-------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3R73.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -175865 for 2250 contacts (-78.2/contact) +
2D Compatibility (PS) -30667 + (NN) -15168 + (LL) 9548
1D Compatibility (HY) -32000 + (ID) 7450
Total energy: -251602.0 ( -111.82 by residue)
QMean score : 0.556
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