Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MQKYEKLEKIGEGTYGTVFKAKNRETHEIVALKRVRLDDDDEGVPSSALREICLLKELKHKNIVRLHDVLHSDKKLTLVFEFCDQDLKKYFDSCNGDLDPEIVKSFLFQLLKGLGFCHSRNVLHRDLKPQNLLINRNGELKLADFGLARAFGIPVRCYSAEVVTLWYRPPDVLFGAKLYSTSIDMWSAGCIFAELANAGRPLFPGNDVDDQLKRIFRLLGTPTEEQWPSMTKLPDYKP--YPMYPATTSLVN-VVPKLNATGRDLLQNLLKCNPVQRISAEEALQHPYFSDFCPP |
4BGQ Chain:A ((11-301)) | MNKFEILGVVGEGAYGVVLKCRHKETHEIVAIKKFK-------VKETTLRELKMLRTLKQENIVELKEAFRRRGKLYLVFEYVEKNMLELLEEMPNGVPPEKVKSYIYQLIKAIHWCHKNDIVHRDIKPENLLISHNDVLKLCDFGFARNLSE----------TRWYRSPELLLGA-PYGKSVDMWSVGCILGELSD-GQPLFPGESEIDQLFTIQKVLGPLPSEQMKLFYSNPRFHGLRFPAVNHPQSLERRYLGILNSVLLDLMKNLLKLDPADRYLTEQCLNHPTFQTQRL- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4BGQ.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -145638 for 2072 contacts (-70.3/contact) +
2D Compatibility (PS) -28658 + (NN) -13049 + (LL) 972
1D Compatibility (HY) -29600 + (ID) 5800
Total energy: -221773.0 ( -107.03 by residue)
QMean score : 0.502
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