Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MADSKSFTFELNESVLTAQVGRLDEMAMVVEQRFSELKMTIEDVGNADPGSKISESLGGLQSGLGTISSAFGQLGSSSEAITSGFGTAVGSVGGITDAFKNLGSSVQNGTLFSSLATGIGGMSTMLGGVSGGVQGITNLASGFMELKNHLGGLMSSIGGVGGIMGKLTSPMGLVIIGIVALVAAFAYLMTTNESFRNTVMSVVTQVAQLFGQLVASLMPIIMQIVTAVMQIGAALMPMVMQFISFFAQLLAQLMPFINMLISMLMPVIMQIVQVVMSLVSALLPSIMTVIQGIMSVIQFLIPIIMQIATVVVQIVVTIISYISKIMPIVMTIIGVIVSIITTIISYVVIIATTIASVIGKIISFIASVITAVIGIVQPIIAFITNIFTTIVTIIGAAFQMVFTVASKIWNSIMSTISGIIDGIKAVITGISTTVSSVFN--------GVKRIITGVFDGIKSAWGGLTDFVGNIFDGVSSAIQTVVDNVKGFVNVVIRGINGAIGLINKIPGV--EIGKIPQLISGTTN-FQGGFARMNEGGRGEMVVLPSGSQVIPHDATMKYARESARGNKSMLYTSQGADLARVENLLERLLQKNPVIKMDDKVVAEVVSRNQANSFDQYNYTMGGAAYS |
2AQI Chain:A ((2-119)) | --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------TGLLDGKRILVSGIITDSSIAFHIARVAQEQGAQLVLTG-FDRLR-----LTQRITDRLPAKAPLLELDVQNEEHLASLAGR-VTEAIGAGNKLDGVVHSIGFMPQTGMGINPFFDAPYADVSKG-------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2AQI.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -34772 for 660 contacts (-52.7/contact) +
2D Compatibility (PS) -11643 + (NN) -2080 + (LL) 42500
1D Compatibility (HY) -4000 + (ID) 1650
Total energy: -11645.0 ( -17.64 by residue)
QMean score : 0.113
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