Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MGKGDVLEAAPTTTAYHSLMDEYGYEVGKAIGHGSYGSVYEAFYTKQKVMVAVKIISKKKASDDYLNKFLPR---EIQVMKVLRHKYLINFYRAIESTSRVYIILELAQGGDVLEWIQRYGACSEPLAGKWFSQLTLGIAYLHSKSIVHRDLKLENLLLDKWENVKISDFGFAKMVPSNQPVGCSPSYRQVNCFSHLSQTYCGSFAYACPEILRGLPYNPFLSDTWSMGVILYTLVVAHLPFDDTNLKKLLRETQKEVTFPANHTISQECKNLILQMLR-QATKRATILDIIKDSWVLKFQPEQPTHEIRLLEAMCQLHNTTKQHQSLQITT |
4BKZ Chain:A ((12-266)) | ------------------------YELHETIGTG--AKVKLACHILTGEMVAIKIMDKNTL--------LPRIKTEIEALKNLRHQHICQLYHVLETANKIFMVLEYCPGGELFDYIISQDRLSEEETRVVFRQIVSAVAYVHSQGYAHRDLKPENLLFDEYHKLKLIDFGLCA-----------------------------SLAYAAPELIQG----GSEADVWSMGILLYVLMCGFLPFDDDNVMALYKKIMRG-KYDVPKWLSPSSILLLQQMLQVDPKKRISMKNLLNHPWIMQDYNYPVEWQSKNPFIHLDDDCVTELSVHHRNNR |
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General information:
TITO was launched using:
| RESULT:
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Template: 4BKZ.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -166007 for 1738 contacts (-95.5/contact) +
2D Compatibility (PS) -23843 + (NN) -6313 + (LL) 2656
1D Compatibility (HY) -23600 + (ID) 4050
Total energy: -221157.0 ( -127.25 by residue)
QMean score : 0.508
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