Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MMNIPNIENCDLHGKAVLLRVDFNIPIKNGKVHDATRVLRSLPTIRHLVNAGAK-VIIISHFGRPRA--KDNNLSLKNVVKTLSQLLNKEVKFVDDCIGKKVQKVVNAIAIRDVILLENLRFYKEEEQN--DAN-------------FAKQLASLADVYVNDAFSCSHRAHASISRITEFLPSYAG-FCLQDELRYLEKAVSFEAKPITAIVGGAKISTKIKMLIRLAEKVDYLVLGGAIANNFL-LFNKVNIGKSFFQNGVDSLLHDVVKIADKNNCKIVIPEDVLIAVNSDYSTCILRKT--ESVLDNDVILDIGPQTLSTISSIVASSKALLWNGPIGVFEHSAFANGTIEVMKVVSDSTHKGKLTSVIGGGDSLSAINAAGLTDKDFTYVSTGGGAFLSWLSGDKMPGIAALQSMLN |
2XE8 Chain:A ((9-417)) | ------LDKLDVKGKRVVMRVDFNVPMKNNQITNNQRIKAAVPSIKFCLDNGAKSVVLMSHLGRPDGVPMPDKYSLEPVAVELKSLLGKDVLFLKDCVGPEVEKACANPAAGSVILLENLRFHVEEEGKGKDASGNKVKAEPAKIEAFRASLSKLGDVYVNDAFGTAHRAHSSMVGVN--LPQKAGGFLMKKELNYFAKALESPERPFLAILGGAKVADKIQLINNMLDKVNEMIIGGGMAFTFLKVLNNMEIGTSLFDEEGAKIVKDLMSKAEKNGVKITLPVDFVTADKFDENAKTGQATVASGIPAGWMGLDCGPESSKKYAEAVTRAKQIVWNGPVGVFEWEAFARGTKALMDEVVKATSRGCIT-IIGGGDTATCCAKWNTEDK-VSHVSTGGGASLELLEGKVLPGVDALSNI-- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2XE8.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -336357 for 3483 contacts (-96.6/contact) +
2D Compatibility (PS) -40879 + (NN) -8602 + (LL) 548
1D Compatibility (HY) -34400 + (ID) 7800
Total energy: -427490.0 ( -122.74 by residue)
QMean score : 0.581
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