Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKLIKLKKIVQIERKPFFITRQKLKLFRIVFNIIFVLMLFYYWSAIPLLLPRLIVVIFLLGSIFLTNKAFIAIKKRIGKTLFIRERLWYILESLKLYDSDGDRILNTAILTFDISNDNAVTISAPLFGDKWTKRLKNLEDNLVAGLGLPLLSKKELPNCVIYQLGHIEEIEQYVFNNNLTRKFFQSISSPVIKLSNTQQFSLKSNTNIGVYGRTGTGKTIALQWFLFNALAKGCGTDDSTYLGIVDGKGADLYALGKLLQEELGEQIAIGSSPQMLAKLSREFVDIMNARFEVIKQNSSLNADAYDLEMTPNFLFVDELASIRDSCGSSKQGKELWNEILQNLGLIARKGRQAGCHLLLSTQDPNAENIPVELRN--QISAVLYLGNPGADRLKMAFSMCELENVPTVSDRKGEALFHADGLNSIEPVLTIVPFVDVKTKQDFLQIVRNILPNY |
3WHK Chain:A ((110-198)) | ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------APTIIFIDEIDAIGAK--------EVNRTLMQLLAEMDGFDPRGNVKVIAATNRPDI--LDPALLRPGRFDRLIEVPLPDEFSRAQILQIHSRKMTTDDDINWQELARSTDEFNGAQLKAVTVEAGMIALRNGQSSVKHEDFVEG |
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General information:
TITO was launched using:
| RESULT:
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Template: 3WHK.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -22614 for 409 contacts (-55.3/contact) +
2D Compatibility (PS) -8404 + (NN) -5503 + (LL) 24284
1D Compatibility (HY) -5600 + (ID) 600
Total energy: -18437.0 ( -45.08 by residue)
QMean score : 0.364
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