Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MIDRPLEGKVAFITGAARGLGRAHAVRLAADGANIIAVDICEQI-ASVPYPLSTADDLAATVELVEDAGGGIVARQGDVRDRASLSVALQAGLDEFGRLDIVVANAGI----AMMQAGDDGWRDVIDVNLTGVFHTVQVAIPTLIEQGTGGSIVLISSAAGLVGIGSSDPGSLGYAAAKHGVVGLMRAYANHLAPQNIRVNSVHPCGVDTPMINNEFFQQWLTTADMDAPH-NLGNALPVELVQPT------DIANAVAWLASEEARYVTGVTLPVDAGFVNKR |
3PGX Chain:B ((13-276)) | -----LQGRVAFITGAARGQGRSHAVRLAAEGADIIACDICAPVSASVTYAPASPEDLDETARLVEDQGRKALTRVLDVRDDAALRELVADGMEQFGRLDVVVANAGVLSWGRVWELTDEQWDTVIGVNLTGTWRTLRATVPAMIEAGNGGSIVVVSSSAGL----KATPGNGHYSASKHGLTALTNTLAIELGEYGIRVNSIHPYSVETPMIEPEAMME------IFARHPSFVHSFPPMPVQPNGFMTADEVADVVAWLAGDGSGTLTGTQIPVDKG----- |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 3PGX.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) -167702 for 2180 contacts (-76.9/contact) +
2D Compatibility (PS) -26712 + (NN) -7055 + (LL) 1260
1D Compatibility (HY) -21600 + (ID) 6250
Total energy: -228059.0 ( -104.61 by residue)
QMean score : 0.494
|
|
|