Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MMNIPNIENCDLHGKAVLLRVDFNIPIKNGKVHDATRVLRSLPTIRHLVNAGAKVIIISHFGRPRAKDNNLSLKNVVKTLSQLLNKEVKFVDDCIGKKVQKVVNAIAIRDVILLENLRFYKEE------EQNDANF-AKQLASLADVYVNDAFSCSHRAHASISRITEFLPSYAGFCLQDELRYLEKAVSFEAKPITAIVGGAKISTKIKML--IRLAEKVDYLVLGGAIANNFLLFNKVNIGKSFFQNGVDSLLHDVVK----IADKNNCKIVIPEDVLIAVNSDYSTC-ILRKTESVLDNDVILDIGPQTLSTISSIVASSKALLWNGPIGVFEHSAFANGTIEVMKVVSDSTHKGKLTSVIGGGDSLSAINAAGLTDKDFTYVSTGGGAFLSWLSGDKMPGIAALQSMLN |
2CUN Chain:A ((3-399)) | -----RLEDFNFHNKTVFLRVDLNSPMKDGKIISDARFKAVLPTIRYLIESGAKVVIGTHQGKPYSEDYTTTEEH-ARVLSELLDQHVEYIEDIFGRYAREKIKELKSGEVAILENLRFSAEEVKNKPIEECEKTFLVKKLSKVIDYVVNDAFATAHRSQPSLVGFARIKPMIMGFLMEKEIEALMRAYYSKDSPKIYVLGGAKVEDSLKVVENVLRRERADLVLTGGLVANVFTLAKGFDLGRKNVEFMKKKGLLDYVKHAEEILDEFYPYIRTPVDFAVDYKGERVEIDLLSENRGLLHQYQIMDIGKRTAEKYREILMKARIIVANGPMGVFEREEFAIGTVEVFKAIADSP----AFSVLGGGHSIASIQKYGIT--GITHISTGGGAMLSFFAGEELPVLRALQISYE |
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General information:
TITO was launched using:
| RESULT:
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Template: 2CUN.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -299172 for 3472 contacts (-86.2/contact) +
2D Compatibility (PS) -40321 + (NN) -9469 + (LL) 580
1D Compatibility (HY) -29200 + (ID) 6750
Total energy: -384332.0 ( -110.69 by residue)
QMean score : 0.569
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