Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSAGNGTPWDATWNITVQWLAVDIACRTLMFLKLMATYSAAFLPVVIGLDRQAAVLNP-----LGSRSGVRKLLGAAWGLSFLLAFPQLFLF-------HTVHCAGPVPFTQCVTKGSFKAQWQETTYNLFTFCCLFLLPLTAMAICYSRIVLSVSRPQTRKGSHAPAGEFALPRSFDNCPRVRLRALRLALLIL----LTFILCWTPYYLLG-MWYWFSPTMLTEVPPSLSHILFLLG----LLNAPLDPLLYGAFTLGCRRGHQELSIDSSKEGSGRMLQEEIHAFRQLEVQKTVTSRRAGETKGISITSI |
4XES Chain:A ((103-346)) | ------------------WAFGDAGCRGYYFLRDACTYATALNVASLSVARYLAICHPFKAKTLMSRSRTKKFISAIWLASALLAIPMLFTMGLQNRSADGTHPGGLVC-TPIVDTATVKVVIQVNTFMSFLFPMLVISILNTVIANKLTVMV-------------------------PG---RVQALRHGVLVLRAVVIAFVVCWLPYHVRRLMFCYISDEQWTTFLFDFYHYFYMLTNALFYASSAINPILYNLVSANFRQVFLSTNIFEMLRIDEGLRLKIYKDTEGYYTIGIGHLLTKSPSLNAAKSEL |
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General information:
TITO was launched using:
| RESULT:
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Template: 4XES.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -132324 for 1182 contacts (-111.9/contact) +
2D Compatibility (PS) -20015 + (NN) -4385 + (LL) 1812
1D Compatibility (HY) -18400 + (ID) 2900
Total energy: -176212.0 ( -149.08 by residue)
QMean score : 0.225
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