Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MTKKSRFDQFGFQPFIGLAIDKLGFYEPTEVQQKLIPGILKG--ESIIGQSQTGTGKTHTFILPIINNVNPEKDAVQAVITAPSRELATQIYNEIRKVTKYSEKEIAVQLVIGGT-DKQRAIDKLKKQPQIIVGTPGRINDLIREQALFVHTAKTLVIDEADMTLDMGFLND-VDHIAGKMPANLQMLVFSATIPQKLKPFLSKYMENPRYEHIQPKVAASKTVEHRIMATRSR-NKLDLLKNVL----VGSQPYLAIVFTNTKTTADEVANGLIERGLKVAKIHGDVNPRERKRTMKQIENLDYQYVVATDLAARGIDIQGISHVVNYELPD------DLDFYIHRTGRTGRAGHSGIALTLFEPADEDRLNQLEKM-----GIEFKHV---DWKNKEFVTLEDRNRRAKREAKRETADPREIGMRKKAKQKGKPNYKKKINYKMNEIKRRERRKKR |
3PEY Chain:A ((7-386)) | ------FDELGLAPELLKGIYAMKFQKPSKIQERALPLLLHNPPRNMIAQSQSGTGKTAAFSLTMLTRVNPEDASPQAICLAPSRELARQTLEVVQEMGKFTK--ITSQLIVPDSFEKNKQINA-----QVIVGTPGTVLDLMRRKLMQLQKIKIFVLDEADNMLDQQGLGDQCIRVKRFLPKDTQLVLFSATFADAVRQYAKKIVPNANTLELQTNEVNVDAIKQLYMDCKNEADKFDVLTELYGLMTIGS----SIIFVATKKTANVLYGKLKSEGHEVSILHGDLQTQERDRLIDDFREGRSKVLITTNVLARGIDIPTVSMVVNYDLPTLANGQADPATYIHRIGRTGRFGRKGVAISFVH--DKNSFNILSAIQKYFGDIEMTRVPTDDWDEVE----------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3PEY.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -223400 for 3034 contacts (-73.6/contact) +
2D Compatibility (PS) -38829 + (NN) -17600 + (LL) 5300
1D Compatibility (HY) -30800 + (ID) 6350
Total energy: -311679.0 ( -102.73 by residue)
QMean score : 0.536
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