Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSAGNGTPWDATWNITVQWLAVDIACRTLMFLKLMATYSAAFLPVVIGLDRQAAVLNP-----LGSRSGVRKLLGAAWGLSFLLAFPQLFLFHTVHCAGP------VPFTQCVTKGSFKAQWQETTYNLFTFCCLFLLPLTAMAICYSRIVLSVSRPQTRKGSHAPAGEFALPRSFDNCPRVRLRALRLALLIL----LTFILCWTPYYLLG-MWYWFSPTMLTEVPPSLSHILFLLG----LLNAPLDPLLYGAFTLGCRRGHQELSIDSSKEGSGRMLQEEIHAFRQLEVQKTVTSRRAGETKGISITSI |
4BWB Chain:A ((90-317)) | ------------------WAFGDAGCKGYYFLREACTYATALNVVSLSVELYLAICHPFKAKTLMSRSRTKKFISAIWLASALLAIPMLFTMGLQNLSGDGTHPGGLVCTPIVDTATLRVVIQLNTFMSFLFPMLVASILNTVAARRLTVMV-----------E-PG---------------RVQALRRGVLVLRAVVIAFVVCWLPYHVRRLMFVYISDEQWTTALFDFYHYFYMLSNALVYVSAAINPILYNLVSANFRQVFLSTLACLC---------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4BWB.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -151525 for 1233 contacts (-122.9/contact) +
2D Compatibility (PS) -20658 + (NN) -9300 + (LL) 4372
1D Compatibility (HY) -20000 + (ID) 2850
Total energy: -199961.0 ( -162.17 by residue)
QMean score : 0.206
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