Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSYVIAAPEMLATTAADVDGIGSAIRAASASAAGPTTGLLAAAADEVSSAAAALFSEYARECQEVLKQAAAFHGEFTRALAAAGAAYAQAEASNTAAMSGTAGSSGALGSVGMLSGNPLTALMMGGTGEPILSD----------RVLAIIDSAYIRPIFG--PNNPVAQYTPEQWWP-F--IGNLSLDQSIAQGVTLLNNGINAEL--QNGHDVVVFGYSQSAAVATNEIRALMALPPGQAPDPSRLA-FTLIGNINNPNGGVLERYV---GL-------YLPF---LDMSFNGATPPD---SPYQTYMYTGQYDGYAHNPQYPLN---ILSDLNAFMGIRWVHNAYPFTAAEVANAVPLPTSPGYTGNTHYYMFLTQDLPLLQPIRAIPFVGTPIAELIQPDLRVLVDLGYGYGYADVPTPASLFAPINPIAVASALATGTVQGPQAALVSIGLLPQSALPNTYPYLPSANPGLMFNFGQSSVTELSVLSGALGSVARLIPPIA |
3AJA Chain:A ((74-304)) | --------------------------------------------------------------------------------------------------------------------PDVMMVSIPGTWESSPTDDPFNPTQFPLSLMSNISKP-LAEQFGPDRLQVYTTPYTAQFHNPFAADKQMSYNDSRAEGMRTTVKAMTDMNDRCPLTSYVIAGFSQGAVIAGDIASDIGNGR--GPVDEDLVLGVTLIADGRRQMGVGQDVGPNPAGQGAEITLHEVPALSALGLTMTGPRPGGFGALDNRTNQICGSGDLICSAPEQAFSVFNLPKTLETLS--GPVHALYN------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3AJA.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -64784 for 1530 contacts (-42.3/contact) +
2D Compatibility (PS) -20972 + (NN) -17500 + (LL) 16980
1D Compatibility (HY) -2000 + (ID) 1850
Total energy: -90126.0 ( -58.91 by residue)
QMean score : 0.206
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