Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKLNRFGAAVGVLAAGALVLSACGNDDNVTGGGATTGQASAKVDCGGKKTLKASGSTAQANAMTRFVNVFEQACPGQTLNYTANGSGAGISEFNGNQTDFGGSDVPLSKDEAAAAQRRCGSPAWNLPVVFGPIAVTYNLNSVSS--LNLDGPTLAKIFNGSITQWNNPAIQALNRDFTLPGERIHVVFRSDESGTTDNFQRYLQAASNGAWGK--GAGKSFQGGVGEGARGNDGTSAAAKNTPGSITYNEWSFAQAQHLTMANIVTSAGGDPVAITIDSVGQTIAGATISGV-GNDLVLDTDSFYRPKRPGSYPIVLATYEIVCSKYPDSQVGTAVKAFLQSTIGAGQSGLGDNGYIPIPDEFKSRLSTAVNAIA |
1A40 Chain:A ((3-307)) | -------------------------------------------------SLTGAGATFPAPVYAKWADTYQKET-GNKVNYQGIGSSGGVKQIIANTVDFGASDAPLS-DEKLAQEGLF-----QFPTVIGGVVLAVNIPGLKSGELVLDGKTLGDIYLGKIKKWDDEAIAKLNPGLKLPSQNIAVVRRADGSGTSFVFTSYL-AKVNEEWKNNVGTGSTVKWPIGLGGKGNDGIAAFVQRLPGAIGYVEYWYAKQNNLAYTKLI-SADGKPVSPTEENFANAAKGADWSKTFAQDLT-------NQKGEDAWPITSTTFILIHKDQKKPEQGTEVLKFFDWAYKTGAKQANDLDYASLPDSVVEQVRAA----- |
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General information:
TITO was launched using:
| RESULT:
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Template: 1A40.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -94402 for 2732 contacts (-34.6/contact) +
2D Compatibility (PS) -32855 + (NN) -13881 + (LL) 2732
1D Compatibility (HY) -18400 + (ID) 4900
Total energy: -161706.0 ( -59.19 by residue)
QMean score : 0.430
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