Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MARGLQGVMLRSFGARDHTATVIETISIAPHFVRVRMVSPTLFQDAEAEPAAWLRFWFPDPNGSNTEFQRAYTISEADPAAGRFAVDVVLHDPAGPASSWARTVKPGATIAVMSLMGSSRFDVPEEQPAGYLLIGDSASIPGMNGIIETVPNDVPIEMYLEQHDDNDTLIPLAKHPRLRVRWVMRRDEKSLAEAIENRDWSDWYAWATPEAAALKCVRVRLRDEFGFPKSEIHAQAYWNAGRAMGTHRATEPAATEPEVGAAPQPESAVPAPARGSWRAQAASRLLAPLKLPLVLSGVLAALVTLAQLAPFVLLVELSRLLVSGAGAHRLFTVGFAAVGLLGTGALLAAALTLWLHVIDARFARALRLRLLSKLSRLPLGWFTSRGSGSIKKLVTDDTLALHYLVTHAVPDAVAAVVAPVGVLVYLFVVDWRVALVLFGPVLVYLTITSSLTIQSGPRIVQAQRWAEKMNGEAGSYLEGQPVIRVFGAASSSFRR--RLDEYIGFLVAWQRPLAGK-KTLMDLATRPATFLWLIAATGTLLVATHRMDPVNLLPFMFLGTTFGARLLGIAYGLGGLRTGLLAARHLQVTLDETELAVREHPREPLDGEAPATVVFDHVTFGYRPGVPVIQDVSLTLRPGTVTALVGPSGSGKSTLATLLARFHDVERGAIRVGGQDIRSLAADELYTRVGFVLQEAQLVHGTAAENIALAVPDAPAEQVQVAAREAQIHDRVLRLPDGYDTVLGAN-SGLSGGERQRLTIARAILGDTPVLILDEATAFADPESEYLVQQALNRLTRDRTVLVIAHRLHTITRADQIVVLDHGRIVERGTHEELLAAGGRYCRLWDTGQGSRVAVAAAQDGTR |
4Q4J Chain:B ((112-592)) | -----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------LRKELFEKLQRVPVGFFDRTPHGDIISRVINDVDNINNVLGNSIIQFFSGIVTLAGAVIMMFRVNVILSLVTLSIVPLTVLITQIVSSQTRKYFYENQRVLGQLNGIIEEDISGLTVIKLFTREEKEMEKFDRVNESLRKVGTKAQIFSGVLPPLMNMVNNLG--FALISGFGGWLALKDIITVGTIATFIGYSRQFTRPLNELSNQFNMIQMALASAERIFEILDLEE--EKDDPDAVELREVRGEIEFKNVWFSYDKKKPVLKDITFHIKPGQKVALVGPTGSGKTTIVNLLMRFYDVDRGQILVDGIDIRKIKRSSLRSSIGIVLQDTILFSTTVKENLKYGNPGATDEEIKEAAKLTHSDHFIKHLPEGYETVLTDNGEDLSQGQRQLLAITRAFLANPKILILDEATCNVDTKTEKSIQAAMWKLMEGKTSIIIAHRLNTIKNADLIIVLRDGEIVEMGKHDELIQKRGFYYELFTSQYG------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4Q4J.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -254108 for 3423 contacts (-74.2/contact) +
2D Compatibility (PS) -51431 + (NN) -20933 + (LL) 28204
1D Compatibility (HY) -37600 + (ID) 7600
Total energy: -343468.0 ( -100.34 by residue)
QMean score : 0.390
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