Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSAGNGTPWDATWNITVQWLAVDIACRTLMFLK---LMATYSAAFLPVVIGLDRQAAVLNPL---GSRSGVRK--LLGAAWGLSFLLAFPQLFLFHTVHCAGPVP---FTQCVTKGSFKAQWQETT----YNLFTFCCLFLLPLTAMAICYSRIVLSVSRPQTRKGSHAPAGEFALPRSFDNCPRVRLRALRLALLILLTFILCWTPYYLLGMWYWFSPTMLTEVPPSLSHILFLLGLLNAPLDPLLYGAFTLGCRRGHQELSIDSSKEGSGRMLQEEIHAFRQLEVQKTVTSRRAGETKGISITSI |
4UG2 Chain:A ((73-289)) | ------------------------ACHGCLFIACFVLVLTASSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWN--NCGQPKEGKAHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQL----------------ARSTLQKEVHAAKSLAIIVGL-FALCWLPLHIINCFTFFCPD-CSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLR-------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4UG2.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -156445 for 1265 contacts (-123.7/contact) +
2D Compatibility (PS) -19853 + (NN) -9458 + (LL) 5312
1D Compatibility (HY) -18000 + (ID) 2600
Total energy: -201044.0 ( -158.93 by residue)
QMean score : 0.233
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