Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSARGGSLHGRVAFVTGAARAQGRSHAVRLAREGADIVALDICAPVSGSVTYPPATSEDLGETVRAVEAEGRKVLAREVDIRDDAELRRLVADGVEQFGRLDIVVANAGVLGWGRLWELTDEQWETVIGVNLTGTWRTLRATVPAMIDAGNGGSIVVVSSSAGLKATPGNGHYAASKHALVALTNTLAIELGEFGIRVNSIHPYSVDTPMIEPEAMIQTFAKH------PGYVHSFPPMPLQPKGFMTPDEISDVVVWLAGDGSGALSGNQIPVDKGALKY |
3OEC Chain:C ((42-314)) | -----NRLQGKVAFITGAARGQGRTHAVRLAQDGADIVAIDLCRQ---NLDYAQGSPEELKETVRLVEEQGRRIIARQADVRDLASLQAVVDEALAEFGHIDILVSNVGISNQGEVVSLTDQQWSDILQTNLIGAWHACRAVLPSMIERGQGGSVIFVSSTVGLRGAPGQSHYAASKHGVQGLMLSLANEVGRHNIRVNSVNPGAVNTEMALNEKLLKMFLPHLENPTREDAAELFSQLTLLPIPWVEPEDVSNAVAWLASDEARYIHGAAIPVDGGQL-- |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 3OEC.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) -134173 for 2332 contacts (-57.5/contact) +
2D Compatibility (PS) -27985 + (NN) -5865 + (LL) 400
1D Compatibility (HY) -23600 + (ID) 6000
Total energy: -197223.0 ( -84.57 by residue)
QMean score : 0.529
|
|
|