Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MGKGDVLEAAPTTTAYHSLMDEYGYEVGKAIGHGSYGSVYEAFYTKQKVMVAVKIISKKKASDDYLNKFLPR---EIQVMKVLRHKYLINFYRAIESTSRVYIILELAQGGDVLEWIQRYGACSEPLAGKWFSQLTLGIAYLHSKSIVHRDLKLENLLLDKWENVKISDFGFAKMVPSNQPVGCSPSYRQVNCFSHLSQTYCGSFAYACPEILRGLPYNPFLSDTWSMGVILYTLVVAHLPFDDTNLKKLLRETQKEVTFPANHTISQECKNLILQMLR-QATKRATILDIIKDSWVLKFQPEQPTHEIRLLEAMCQLHNTTKQHQSLQITT |
4BL1 Chain:A ((12-266)) | ------------------------YELHETIGTGGFAKVKLACHILTGEMVAIKIMDKNTL--------LPRIKTEIEALKNLRHQHICQLYHVLETANKIFMVLEYCPGGELFDYIISQDRLSEEETRVVFRQIVSAVAYVHSQGYAHRDLKPENLLFDEYHKLKLIDFGLCA-----K-----------------------SLAYAAPELIQGK---GSEADVWSMGILLYVLMCGFLPFDDDNVMALYKKIMRG-KYDVPKWLSPSSILLLQQMLQVDPKKRISMKNLLNHPWIMQDYNYPVEWQSKNPFIHLDDDCVTELSVHHRNNR |
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General information:
TITO was launched using:
| RESULT:
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Template: 4BL1.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -164417 for 1779 contacts (-92.4/contact) +
2D Compatibility (PS) -24041 + (NN) -5834 + (LL) 2296
1D Compatibility (HY) -23600 + (ID) 4050
Total energy: -219646.0 ( -123.47 by residue)
QMean score : 0.487
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