Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MNALLALPDLQPERLFVQSGDVRLAVHCWGAPDNGKPTLLMVHGYPDNHETWLPLIRQLAGRYRIVAYDVRGAGASDKPRWSRDYHLQRLSEDLQAVIRATSPDRPVHLLAHDWGSIQTWESVTDPQCRPLIASYTSISGPCLDHVGFWMREHLRQRSPKALKAVFGQLLHSWYIAFFHTPVVPELLWSAGLARLWPQFLKHAEGVRHPQVNPTQASDGRHGVKLYRGNFIRSLFRPRKRHTEVPVQLIVPTRDRYVGAQLFQHLSLWAPRLWRREASVGHWQLLAEPEQLAGWLGEFIDAQETGESPPALQRAQVRPDASSMNGKLVVVTGAGGGIGRSTLLSFAERGASLLAADLDLEAAERSAELARALGATAHVYQVDVGDTQAMETFAEWVRDTLGVPDVVVSNAGIGMAGPMLDTSPAEWERLLRVNLWSVIDGCRLFGRQMIAANKPGHLVNVASGVAFAPSRNYPAYATSKAAVLMLSECLRAELAGRSIGVTAVCPGFVDTGIVQATRFVGMDAERQARRQAKIQRFYKRRRLSPDTVGEKLVRAVERNKAVVSVGSEVHLGALQWRFAPWATRFLARFDLTS |
3AK4 Chain:A ((10-196)) | ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------LSGRKAIVTGGSKGIGAAIARALDKAGATVAIADLDVMAAQ---AVVAGLENGGFAVEVDVTKRASVDAAMQKAIDALGGFDLLCANAGVSTMRPAVDITDEEWDFNFDVNARGVFLANQIACRHFLASNTKGVIVNTASLAAKVGAPLLAHYSASKFAVFGWTQALAREMAPKNIRVNCVCPGFVKTAM-------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3AK4.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -113185 for 1593 contacts (-71.1/contact) +
2D Compatibility (PS) -20801 + (NN) -9799 + (LL) 28540
1D Compatibility (HY) -8800 + (ID) 2950
Total energy: -126995.0 ( -79.72 by residue)
QMean score : 0.582
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