Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MEELFCIGCGARIQTENKDAAGYTPRAALEKGLETGELYCQRCFRLRHYNEITDVHITDDEFLKLLHEVGDSDALVVNVIDIFDFNGSIIPGLSRFVAGNDVLLVGNKKDILPKSVKDGKVTQWLTERAHEEGLRPVDVILTSAQNHHAIKDLIDTIEKYRHGRDVYVVGVTNVGKSTLINAIIREITGSRDVITTSRFPGTTLDKIEIPLDDGSYIFDTPGIIHRHQMAHYLTAKNLKYVSPKKEIKPKTYQLNSEQTLFLAGLARFDFISGQKQGFTAYFDNNLNLHRTKLVGADEFYTKHVGKLLTPPTGKEVSDFPKLVRHEFTIKN-KMDIVYSGLGWIRVKSEAENPVVVAAWAPEGVAVVLRKALI |
3EC1 Chain:A ((59-369)) | -----------------------------------------------------------DDFLSMLHRIGESKALVVNIVDIFDFNGSFIPGLPRFAADNPILLVGNKADLLPRSVKYPKLLRWMRRMAEELGLCPVDVCLVSAAKGIGMAKVMEAINRYREGGDVYVVGCTNVGKSTFINRIIEEATGKGNVITTSYFPGTTLDMIEIPLESGATLYDTPGIINHHQMAHFVDARDLKIITPKREIHPRVYQLNEGQTLFFGGLARLDYIKGGRRSFVCYMANELTVHRTKLEKADSLYANQLGELLSPPSKRYAAEFPPLVPRSLSVKERKTDIVFSGLGWVTCNDPGAQLVV---HAPKGVDVFIRQSLI |
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General information:
TITO was launched using:
| RESULT:
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Template: 3EC1.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -192206 for 2564 contacts (-75.0/contact) +
2D Compatibility (PS) -33563 + (NN) -9213 + (LL) 4616
1D Compatibility (HY) -39200 + (ID) 8500
Total energy: -278066.0 ( -108.45 by residue)
QMean score : 0.536
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