Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKRLKKTLHLSSLSLASLALSSAALAAAPVMLDQGKEWTESHRQDFYSRDQGSQVMPLPWLKALRQPDGTPFLADSLARYGYLPNPKAPAEGLPVGFTVAGTGARQMVGMTCSACHTRQIEVKGTAYRIDGGPAIVDFQAFLADLDRAVGPLTSDDAAFDAFAKPILGANPPPGARDALLAAVKEWYEPYHTLIERALPKDTWGPARLDAVSMIFNRLTGLDIGTAPPYLIPDNIKAADAPVRYPFLWNAARQ------------NKTQWPGFAANGNDLLGLARNVGEVYG--VFATFH-------PQKSKFHLLGMDYLKIN------SA-NFHGLGKLEDLIKKIGP--PKWPWA-------VDKHLARKGALIFARKTDEGGCVECHGIRIKDLVLW------DTPLRDVGSDSRQHAILDGQVQTGVMEGARMPFGQPLKATDGAFDVLAVAVAGSILQHFVPILGEKHDAKAAAVKPESVMTDETRQLLTAFQKPVRTQADPYPYESRVLQGIWAAAPYLHNGSVPTLEELLKPAAERVESFPVG-SAYDVDKVGLAAQQTQFGSYVLKTTGCEQRDSGNSRCG-HEYGTSLSAEEKRALLEYLKVL |
3SJL Chain:A ((63-349)) | -----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------GDRNTPTLGYAALVPAFHRDANGKYKGGQFWDGRADDLK-----QQAGQSMLNPVEMAMPDRAAVAARLRDDPAYRTGFEALFGKGVLDDPERAFDAAAEALAAYQATGEFSPFDSKYDRVMRGEEKFTPLEEFGYTVFIT----WNCRLCHMQRKQ--GVAERETFTNFEYHNIGLPVNETAREA----SG-L-GAD--------------------------------------HVDHGLL-----------ARPGIE---D-PAQSGRFKVPSLRNVAVTGPYMHNGVFTDLRTAIL--------FYNKYTSRRPE-AKINPET--G-APWGEP-----EVARNLSLAELQSGLMLDDGRVDALVAFLETL |
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General information:
TITO was launched using:
| RESULT:
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Template: 3SJL.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -7146 for 1692 contacts (-4.2/contact) +
2D Compatibility (PS) -24953 + (NN) -9364 + (LL) 19096
1D Compatibility (HY) 1200 + (ID) 1950
Total energy: -23117.0 ( -13.66 by residue)
QMean score : 0.075
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