Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MTKGIKIATIGGGSSYTPELIEGFIKRQDELPVRELWLVDVEAGREKLEIVGNLAKRMVEKAGVDMEVHLTLDREEALKDADFVTTQLRVGLLDARVKDERIPNSYGVVGQETNGPGGMFKGLRTIPVILDICKDMERLCPDAWLINFANPAGMVTEAVLRYSNQKKVVGLCNGPIGIERNIAETLGVDVSEIYVEFVGLNHMVFAKTVYHNGKDVTKDVV-FKMTEDEAGSSLKNINATGWDKTFLRTLNMIPIDYLRYYWQTKQQLEDQARAYAEHGTRAEVVKKVEAELFELYKQEELAEKPKQLEQRGGAYYSEAACNLINSIYNDKRDIQIVNTRNNGAILDIDPDSAVETNCVITRQGPIPLASGRLPIAINGIIQEIKTFERLTAEAAVTGDYDKALLAMTINPLTPSESVAREMLDELLEAHKEYLPNFFK |
1S6Y Chain:A ((4-442)) | ---RLKIATIGGGSSYTPELVEGLIKRYHELPVGELWLVDIPEGKEKLEIVGALAKRMVEKAGVPIEIHLTLDRRRALDGADFVTTQFRVGGLEARAKDERIPLKYGVIGQETNGPGGLFKGLRTIPVILDIIRDMEELCPDAWLINFTNPAGMVTEAVLRYTKQEKVVGLCNVPIGMRMGVAKLLGVDADRVHIDFAGLNHMVFGLHVYLDGVEVTEKVIDLVAHP------------LGWEPDFLKGLKVLPCPYHRYYFQTDKMLAEELEAAKTKGTRAEVVQQLEKELFELYKDP-----------RGGAYYSDAACSLISSIYNDKRDIQPVNTRNNGAIASISAESAVEVNCVITKDGPKPIAVGDLPVAVRGLVQQIKSFERVAAEAAVTGDYQTALVAMTINPLVPSDTIAKQILDEMLEAHKEYLPQFFK |
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General information:
TITO was launched using:
| RESULT:
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Template: 1S6Y.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) 35607 for 3437 contacts (10.4/contact) +
2D Compatibility (PS) -40627 + (NN) 11141 + (LL) 1732
1D Compatibility (HY) 11600 + (ID) 3050
Total energy: 16403.0 ( 4.77 by residue)
QMean score : 0.072
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