Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKLIKLKKIVQIERKPFFITRQKLKLFRIVFNIIFVLMLFYYWSAIPLLLPRLIVVIFLLGSIFLTNKAFIAIKKRIGKTLFIRERLWYILESLKLYDSDGDRILNTAILTFDISNDNAVTISAPLFGDKWTKRLKNLEDNLVAGLGLPLLSKKELPNCVIYQLGHIEEIEQYVFNNNLTRKFFQSISSPVIKLSNTQQFSLKSNTNIGVYGRTGTGKTIALQWFLFNALAKGCGTDDSTYLGIVDGKGADLYALGKLLQEELGEQIAIGSSPQMLAKLSREFVDIMNARFEVIKQNSSLNADAYDLEMTPNFLFVDELASIRDSCGSSK-QGKELWNEILQNLGLIARKGRQAGCHLLLSTQDPNAENIPVELRNQISAVLYLGNPGADRLKMAFSMCELENVPTVSDRKGEALFHADGLNSIEPVLTIVPFVDVKTKQDFLQIVRNILPNY |
3EIE Chain:A ((110-194)) | ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------KPSIIFIDQVDALTGT-----EASRRIKTELLVQMNGVG--NDSQGVLVLGATNIPWQ--LDSAIRRRFERRIYIPLPDLAARTTMFEINVGDTPCVLTKEDYRTLGAMTEGYSGSDIAVVVKDALMQPIRKIQSATHFKDVSE |
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General information:
TITO was launched using:
| RESULT:
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Template: 3EIE.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -36339 for 415 contacts (-87.6/contact) +
2D Compatibility (PS) -8735 + (NN) -6814 + (LL) 24436
1D Compatibility (HY) -5600 + (ID) 650
Total energy: -33702.0 ( -81.21 by residue)
QMean score : 0.449
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