Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | ----------MLKKLSPIFSNITGVVRYQDLAYVASVSDEIQEQNIAHSYVTEWDCG-TWCVAGEDDDMLPWEIVSATVVHEPVEQALFLGARGQVFCMGSGDIHEEQLPDGDDAIGGRGNMRGVACIDGVAYACGMDRQVYRRFDE-NDWRAIDTGARPPAGSEAVVGFEAIGGFGAREIYAVGWDG---EIWQYDGKRWQPRESPTNLILTAICCAEDGSVYACGQAGTLLRGRNDHWEIIAQDDVDEDLWSLAWFDGALYVSSATAVYTLVGGHLKEVDFGDEQPQRCFHLSAADGVLWSIAAKD-----IFSFDGQQWTRID----- |
2XBG Chain:A ((38-345)) | AIPALDYNPWEAIQLPTTATILDMSFIDRHHGWLVGVNATLMETR---------DGGQTWEPRTLVLDHSDYRFNSVSFQGN---EGWIVGEPPIMLHTTDGGQSWSQIPLDPKLPGSPRLIKALG--NGSAEMITNVGAIYRTKDSGKNWQALVQ--------EAIGVMRNLNRSPSGEYVAVSSRGSFYSTWEPGQTAWEPHNRTTSRRLHNMGFTPDGRLWMIVNGGKIAFSDPDNSENWGELLSPLRRNSVGFLDLAYRTPNEVWLAGGAGALLCSQDGGQTW-QQDVDVKKVPSNFYKILFFSPDQGFILGQKGILLRYVTDLTAA |
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General information:
TITO was launched using:
| RESULT:
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Template: 2XBG.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -93969 for 2261 contacts (-41.6/contact) +
2D Compatibility (PS) -29659 + (NN) -3885 + (LL) 972
1D Compatibility (HY) -3600 + (ID) 2400
Total energy: -132541.0 ( -58.62 by residue)
QMean score : 0.297
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