Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | METQNLTVVTEFILLGLTQSQDAQLLVFVLVLIFYLIILPGNFLIIFTIKSDPGLTAPLYFFLGNLALLDASYSFIVVPRMLVDFLSEKKVISYRSCITQLFFLHFLGAGEMFLLVVMAFDRYIAICRPLHYSTIMNPRACYALSLVLWLGGFIHSIVQVALILHLPF-CGPNQLDNFFCDVPQVIKLACTNTFVVELLMVSNSG--------------LLSLLCFLGLLASYAVILCRIREHSSEGKSKAISTCTTHIIIIFLMF--------GPAIFIYTCPFQAF-PADKVVSLFHTVIFPLMNPVIYTLRNQEVKASMRKLLSQHMFC |
3PXO Chain:A ((36-317)) | --------------------QFSMLAAYMFLLI--MLGFPINFLTLYVTVQHKKLRTPLNYILLNLAVADLFMVFGGFTTTLYTSLHGYFVFGPTGCNLEGFFATLGGEIALWSLVVLAIERYVVVCKPMS-----NFRF-----------GENHAIMGVAFTWVMALACAAPPLVGWSRYIPEGMQCSCGIDYYTPHEETNNESFVIYMFVVHFIIPLIVIFFCYGQLV--FTVKEAAAQQQESATTQKAEKEVTRMVIIMVIAFLICWLPYAGVAFYIFTHQGSDFGPIFMTIPAFFAKTSAVYNPVIYIMMNKQFRNCMVTTLCCGKN- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3PXO.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -244185 for 1945 contacts (-125.5/contact) +
2D Compatibility (PS) -26219 + (NN) -7098 + (LL) 4120
1D Compatibility (HY) -20800 + (ID) 3400
Total energy: -297582.0 ( -153.00 by residue)
QMean score : 0.258
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