Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MRKVLYALMGFLLVFSALKADDFLEEANETAPANLNHPMQDLNAIQGSFFDKNRSKMSNTLNIDYFQGQTYKIRLRYAMATLLFFSKPISDFVLGDKVGFDAKILESNDRILLIKPLQIGVDSNISVIDS------EGKIFSF-----YVFSTTFTSSKHPNLQVFIEDKNYYTNAFIKPQKENQENMSENAPKDAQKNNKPLKEEKEETKEKEEETIIIGDNTNAMKIIKKDIQKGYKALKSSQRKWYCLWACSKKSKLSLMPKEIFNDKQFTYFKFDKRLALSKFPVIYKVVDGYDNPVNTRIVGDYIIAEDVSTKWTLRLGKDYLCIRFVKRRKGE |
3U17 Chain:A ((353-425)) | ---------------------------------------------------------------------------------------------------------DSDEQIFTTQGRPISSDDEIKIVDEQYREVPEGEIGMLATRGPYTFCGYYQSPEH-NSQVFDEDNYYYSGDLVQRTPDGNLRVVGRIK-------------------------------------------------------------------------------------------------------------------------------------------------- |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 3U17.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) -8991 for 280 contacts (-32.1/contact) +
2D Compatibility (PS) -6402 + (NN) 1245 + (LL) 17116
1D Compatibility (HY) -3600 + (ID) 1050
Total energy: -1682.0 ( -6.01 by residue)
QMean score : 0.118
|
|
|