Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MGQELCAKTVQPGCSCYHCSEGGEAHSCRRSQPETTEAAFKLTDLKEASCSMTSFHPRGLQAARAQKFKSKRPRSNSDCFQEEDLRQGFQWRKSLPFGAASSYLNLEKLGEGSYATVYKGISRINGQLVALKVISMNAEEGVPFTAIREASLLKGLKHANIVLLHDIIHTKETLTFVFEYMHTDLAQYMSQHPGGLHPHNVRLFMFQLLRGLAYIHHQHVLHRDLKPQNLLISHLGELKLADFGLARAKSIPSQTYSSEVVTLWYRPPDALLGATEYSSELDIWGAGCIFIEMFQ-GQPLFPGVSNILEQLEKIWEVLGVPTEDTWPGVSKLPNYNPEWFPL-PTPRSLHVVWNRLGRVPEAEDLASQMLKGFPRDRVSAQEALVHDYFSALPSQLYQLPDEESLFTVSGVRLKPEMCDLLASYQKGHHPAQFSKCW |
4AU8 Chain:B ((6-291)) | ----------------------------------------------------------------------------------------------------QKYEKLEKIGEGTYGTVFKAKNRETHEIVALKRVRL---EGVPSSALREICLLKELKHKNIVRLHDVLHS-KKLTLVFEFCDQDLKKYFDSCNGDLDPEIVKSFLFQLLKGLGFCHSRNVLHRDLKPQNLLINRNGELKLADFGLARAFGIPV------VVTLWYRPPDVLFGAKLYSTSIDMWSAGCIFAELANAGRPLFPG-NDVDDQLKRIFRLLGTPTEEQWPSMTKLPDYKP--YPMYPATTSLVNVVPKLNAT--GRDLLQNLLKCNPVQRISAEEALQHPYFSDF--------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4AU8.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -185636 for 2202 contacts (-84.3/contact) +
2D Compatibility (PS) -29849 + (NN) -14930 + (LL) 9196
1D Compatibility (HY) -30000 + (ID) 7450
Total energy: -258669.0 ( -117.47 by residue)
QMean score : 0.448
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