Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSYVIAAPEMLATTAADVDGIGSAIRAASASAAGPTTGLLAAAADEVSSAAAALFSEYARECQEVLKQAAAFHGEFTRALAAAGAAYAQAEASNTAAMSGTAGSSGALGSVGMLSGNPLTALMMGGTGEPILSDRVLAIIDSAYIRPIFGPNNPVAQYTPEQWWPFIGNLSLDQSIAQGVTLLNNGINAELQNGHDVVVFGYSQSAAVATNEIRALMALPPGQAPDPSRLAFTLIGNINNPNGGVLERYVGLYLPFLDMSFNGATPPDSPYQTYMYTGQYDGYAHNPQYPLNILSDLNAFMGIR----WVHNAYPFTAAEVANAVPLPTSPGYTGNTHYYMFLTQDLPLLQPIRAIPFVGTPIAELIQPDLRVLVDLGYGYGYADVPTPASLFAPINPIAVASALATGTVQGPQAALVSIGLLPQSALPNTYPYLPSANPGLMFNFGQSSVTELSVLSGALGSVARLIPPIA |
3ESZ Chain:A ((28-131)) | ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------NDVVTLHDVSQAEVTDLNDYQYLIIGCPTWNIGELQSDWEGLYSELDDVDFNGKLVA------YFGTGDQIGYADNFQDAIGILEEKISQRGGKTVGYWSTDGYDFNDSK-------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3ESZ.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -35278 for 676 contacts (-52.2/contact) +
2D Compatibility (PS) -10420 + (NN) -7202 + (LL) 21764
1D Compatibility (HY) -3600 + (ID) 1350
Total energy: -36086.0 ( -53.38 by residue)
QMean score : 0.199
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