Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MAKEKFNRTNPHVNIGTIGHVYHGKTTLSAAISAVLSLKGL-AEMKDYDNIDNAPQEKERGITIATSHIEYETETRHYAHVDCPGHADYVKNMITGAAQMDGAILVVSAADGPMPQTREHILLSRQVGVPHIVVFLNKQDMVDDQELLELVEMEVRELLSAYEFPGDDTPIVAGSALRALEE------AKAGNVGEWGEKVLKLMAEVDSYIPTPERDTEKTFLMPVEDVFSIAGRGTVVTGRIERGVVKVGDEVEIVGIRA-TQKTTVTGVEMFRKELEKGEAGDNVGVLLRGTKKEEVERGMVLCKPGSITPHKKFEEEIYVLSKEEGGRHTPFFTNYRPQFYVRTTDVTGSITLPEGVEMVMPGDNVKITVELISPVALELGTKFAIREGGRTVGAGVVSNIIE |
1TUI Chain:B ((9-405)) | ---------KPHVNVGTIGHVDHGKTTLTAALTYVAAAENPNVEVKDYGDIDKAPEERARGITINTAHVEYETAKRHYSHVDCPGHADYIKNMITGAAQMDGAILVVSAADGPMPQTREHILLARQVGVPYIVVFMNKVDMVDDPELLDLVEMEVRDLLNQYEFPGDEVPVIRGSALLALEEMHKNPKTKRGE-NEWVDKIWELLDAIDEYIPTPVRDVDKPFLMPVEDVFTITGRGTVATGRIERGKVKVGDEVEIVGLAPETRKTVVTGVEMHRKTLQEGIAGDNVGLLLRGVSREEVERGQVLAKPGSITPHTKFEASVYILKKEEGGRHTGFFTGYRPQFYFRTTDVTGVVRLPQGVEMVMPGDNVTFTVELIKPVALEEGLRFAIREGGRTVGAGVVTKILE |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 1TUI.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) -201118 for 3355 contacts (-59.9/contact) +
2D Compatibility (PS) -42198 + (NN) -15666 + (LL) 980
1D Compatibility (HY) -44000 + (ID) 14300
Total energy: -316302.0 ( -94.28 by residue)
QMean score : 0.530
|
|
|