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 |
2WZD Chain:A ((9-417)) | ------LDKLDVKGKRVVMRVDFNVPMKNNQITNNQRIKAAVPSIKFCLDNGAKSVVLMSHLGRPDGVPMPDKYSLEPVAVELKSLLGKDVLFLKDCVGPEVEKACANPAAGSVILLENLRFHVEEEGKG---EPAKIEAFRASLSKLGDVYVNDAFGTAHRAHSSMVGVN--LPQKAGGFLMKKELNYFAKALESPERPFLAILGGAKVADAIQLINNMLDKVNEMIIGGGMAFTFLKVLNNMEIGTSLFDEEGAKIVKDLMSKAEKNGVKITLPVDFVTADKFDENAKTGQATVASGIPAGWMGLDCGPESSKKYAEAVTRAKQIVWNGPVGVFEWEAFARGTKALMDEVVKATSRGCIT-IIGGGDTATCCAKWNTEDK-VSHVSTGGGASLELLEGKVLPGVDALSNI-- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2WZD.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -326983 for 3487 contacts (-93.8/contact) +
2D Compatibility (PS) -40839 + (NN) -8868 + (LL) 536
1D Compatibility (HY) -34400 + (ID) 7650
Total energy: -418204.0 ( -119.93 by residue)
QMean score : 0.585
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