Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MPKKKPTPIQLNPAPDGSAVNGTSSAETNLEALQKKLEELELDEQQRKRLEAFLTQKQKVGELKDDDFEKISELGAGNGGVVFKVSHKPSGLVMARKLIHLEIKPAIRNQIIRELQVLHECNSPYIVGFYGAFYSDGEISICMEHMDGGSLDQVLKKAGR-IPEQILGKVSIAVIKGLTYLREKHKIMHRDVKPSNILVNSRGEIKLCDFGVSGQLIDSMANSFVGTRSYMSP----ERLQGTHYSVQSDIWSMGLSLVEMAVGRYPIPPPDAKELELMFGCQVEGDAAETPPRPRTPGRPLSSYGMDSRPPMAIFELLDYIVNEPPPKLPSGVFSLEFQDFVNKCLIKNPAERADLKQLMVHAFIKRSDAEEVDFAGWLCSTIGLNQPSTPTHAAGV |
| 4AOT Chain:A ((21-279)) | -------------------------------------------------------------------WEIVGELGDGAFGKVYKAKNKETGALAAAKVIETKSEEELEDYIV-EIEILATCDHPYIVKLLGAYYHDGKLWIMIEFCPGGAVDAIMLELDRGLTEPQIQVVCRQMLEALNFLHSK-RIIHRDLKAGNVLMTLEGDIRLADFGVSA-----------GTPYWMAPEVVM-------YDYKADIWSLGITLIEMA--------------------QIE------PPHHEL-------------NPMRV--LLKIAKSDPPTLLTPSKWSVEFRDFLKIALDKNPETRPSAAQLLEHPFVSSITSNKALRELVAEAKAEV------------ |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 4AOT.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) -114023 for 1801 contacts (-63.3/contact) +
2D Compatibility (PS) -25617 + (NN) -22658 + (LL) 7108
1D Compatibility (HY) -24000 + (ID) 4550
Total energy: -183740.0 ( -102.02 by residue)
QMean score : 0.403
|
|
|