Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MSQSKGKKRNPGLKIPKEAFEQPQTSSTPPRDLDSKACISIGNQNFEVKADDLEP------IMELGRGAYGVVEKMRHVPSGQIMAVKRIRATVNSQEQKRLLMDLDISMRTVDCPFTVTFYGALFREGDVWICMELMDTSLDKFYKQVIDKGQTIPEDILGKIAVSIVKALEHLHSKLSVIHRDVKPSNVLINALGQVKMCDFGISGYLVDSVAKTIDAGCKPY-MAPERINPELNQKGYSVKSDIWSLGITMIELAILRFPYDSWGTPFQQLKQVVEEPSPQLPADKFSAEFVDFTSQCLKKNSKERPTYPELMQHPFFTLHESKGTDVASFVKLILGD |
| 4AOT Chain:A ((5-280)) | ------------------------------------------SREYEHVRRDLDPNEVWEIVGELGDGAFGKVYKAKNKETGALAAAKVIE-TKSEEELEDYIVEIEI-LATCDHPYIVKLLGAYYHDGKLWIMIEFCPGGAVDAIMLELDRGLTEPQ--IQVVCRQMLEALNFLHSK-RIIHRDLKAGNVLMTLEGDIRLADFGVSA-------------GTPYWMAPEVVM-------YDYKADIWSLGITLIEMAQIEPPHHELNPMRVLLKIAKSDPPTLLTPSKWSVEFRDFLKIALDKNPETRPSAAQLLEHPFVSSITSNKALRELVAEAKAEV |
|
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) -104898 for 1928 contacts (-54.4/contact) +
2D Compatibility (PS) -26538 + (NN) -16085 + (LL) 2688
1D Compatibility (HY) -17600 + (ID) 4550
Total energy: -166983.0 ( -86.61 by residue)
QMean score : 0.411
|
|
|