Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSEHQSLPAPEASTEVRVAIVGV-GNCASSLVQGVEYYY--------------------------------NADDTSTVPGLMHVRFGPYHVRDVKFVAAFDVDAKKVGFDLSDAIFASENNTIKIADVAPTNVIVQRGPTLDGIGKYYAD-------TIELSDAEPVDVVQALKE---AKVDVLVSYLPVGSEEADKFYAQCAIDAGVAFVNALPVFIASDPVWAKKFTDARVPIVGDDIKSQVGATITHRVLAKLFEDRGVQLDRTMQLNVGGNMDFLNMLERERLESKKISKTQAVTSNLKREFKTKDVHIGPSDHVGWLDDRKWAYVRLEGRAFGDVPLNLEYKLEVWDSPNSAGVIIDAVRAAKIAKDRGIGGPVIPASAYLMKSP--PEQLPDDIARAQLEEFIIG-- |
1U1I Chain:A ((1-392)) | ---------------MKVWLVGAYGIVSTTAMVGARAIERGIAPKIGLVSELPHFEGIEKYAPFSFEFGGHEIRLLSNAYEAAKEHWELNRHFDREILEAVKSDLEGIVARKGTALNCGSGIKELGDIKTLEGEGLSLAEMVSRIEEDIKSFADDETVVINVASTEPLPNYSEEYHGSLEGFERMIDEDRKEYASASMLYAYAALKLGLPYANFTPSPGSAIPALKELAEKKGVPHAGNDGKT--GETLVKTTLAPMFAYRNMEVVGWMSYNILGDYDGKVLSARDNKESKVLSKDKVLEKMLG----YSPYSITEIQYFPSLVDNKTAFDFVHFKGFLGKLMKFYFIWDAIDAIVAAPLILDIARFLLFAKKKGVKG-VVKEMAFFFKSPMDTNVINTHEQFVVLKEWYSNLK |
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General information:
TITO was launched using:
| RESULT:
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Template: 1U1I.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -29980 for 3028 contacts (-9.9/contact) +
2D Compatibility (PS) -35725 + (NN) -2849 + (LL) 1408
1D Compatibility (HY) -7600 + (ID) 3300
Total energy: -78046.0 ( -25.77 by residue)
QMean score : 0.227
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