Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSKNARYAWRLSLGGLLLGLLACAVYLLAVPLGFKYGEIQVGHGLEHEGRIAWDAAGVPHIRAQSLEDGYFLLGYSHARDRLWQMEFARRYAGGTLSEVFGAKTLPMDRFARTLGFRRTAEGIYANLDAPTRVLLQRYSDGINAYLELAPAALPLEFSLVRHERPGPWGPVDSLSLHLLYSWTLSANLGMQLQRLALAEHLDLARINEVFAPYPGERPPATRDYASLYRSLHGTPDAGKLLGQLPGSNVEGIGSNNWVVSASRSATGKPLLANDPHLRLTNPAAFYLASLKIPGLSLTGANFAGAPLFVIGHNQRIAWGYTNTGSHIQDAYLERVDPQDPRRYLTPDGYRPFETRLERIAVRDGETVSLEVRSTRHGPVISDIYEPARLPQAQRDRLVIALAWTGLDRHDKTFPSLLAIN---RAEGWEQFLDAAANFGVPPQNMVYADVEGNIGYVSAGRVPLRGADDDLHGLAPSPGWESRYDWVGYVPESAKPRSLNPREGFIATAN---QRIVPPDNAFDFGHDWVLPYRYDRIREWLGGPGQRTLEDSLELQNDEFSSVMASLLPKMLEQVSDPELRASEAFALLQGWNHQAAADLAAPLIAGYWVRAFTRELLQPRIGTQLLASGWNQRNYDGFLRLILDGQADLRFWCGQEQGCDLKLNQSLRRALDELRAAHGSAPSGWKWGEAHAALAEHVPFHKTPLRALFDLKNNKGGDNFSVNVGRFDYSDPANPFNTRIAATLRMVIDLADFDNSRYALSTRNSGLPFDGATDLNELWARGAYIRIADDAPDATDRQLVLRPSASSSGEPRP |
1E3A Chain:B ((2-259)) | -----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------TGSNMWVIGKSKAQDAKAIMVNGPQFGWYAPAYTYGIGLHGAGYDVTGNTPFAYPGLVFGHNGVISWGSTAGFGDDVDIFAERLSAEKPGYYLHNGKWVKMLSREETITVKNGQAETFTVWRTVHGNIL-------QTDQTTQTAYAKSRAWDG-----KEVASLLAWTHQMKAKNWQEWTQQAAKQALTI-NWYYADVNGNIGYVHTGAYPDRQSGHDPR--LPVPG-TGKWDWKGLLPFEMNPKVYNPQSGYIANWNNSPQKDYPASDLFAFLWGGADRVTEIDRLLEQKPRLTADQAWDVIRQTSRQDLNLRLFLPTLQAATSGLTQSDPRRQLVETLTRWDGINLLNDDGKTWQQPGSAILNVWLTSMLKRTVVAAVPMPFDKWYSASGYETTQDGPTGSLNISVGAKILYEAVQGDKSPIPQAVDLFAGKPQQEVVLAALEDTWETLSKRYGNNVSNWKTPAMALTFRANNFFGVPQAAAEETRHQAEYQNRGTENDMIVFSPTTSDRPVLAWDVVAPGQSGFIAPDGTVDKHYEDQLKMYENFGRKSLWLTKQDVEAH |
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General information:
TITO was launched using:
| RESULT:
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Template: 1E3A.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -41633 for 1822 contacts (-22.9/contact) +
2D Compatibility (PS) -26835 + (NN) -16887 + (LL) 16596
1D Compatibility (HY) -13600 + (ID) 4300
Total energy: -86659.0 ( -47.56 by residue)
QMean score : 0.323
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