Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKNYKAIGKIGEGTFSEVMKMQSLRDGNYYACKQMKQRFESIEQV--NNLREIQALRRLNPHPNILMLHEVVFDRKSGSLALICELMDMNIYEL-----IRGRRYPLSEKKIMHYMYQLCKSLDHIHRNGIFHRDVKPENILIKQD-VLKLGDFGSCRSV-YSKQPYTEYISTRWYRAPECLLTDGFYTYKMDLWSAGCVFYEIASLQPLFPGVNELDQISKIHDVIGTPAQKILTKFKQSRAMNFDFPFKKGSGIPLLTTNLSPQCLSLLHAMVAYDPDERIAAHQALQHPYFQEQRKTEKRALGSHRKAGFPEHPVAPEPLSNSCQISKEGRKQKQSLKQEEDRPKRRGPAYVMELPKLKLSGVVRLSSYSSPTLQSVLGSGTNGRVPVLRPLKCIPASKKTDPQKDLKPAPQQCRLPTIVRKGGR |
2WPA Chain:C ((6-296)) | MENFQKVEKIGEGTYGVVYKARNKLTGEVVALKKIRLDTET-EGVPSTAIREISLLKELN-HPNIVKLLDVI--HTENKLYLVFEFLHQDLKKFMDASALTGIPLPL----IKSYLFQLLQGLAFCHSHRVLHRDLKPQNLLINTEGAIKLADFGLARAFGVPVRTYTHEVVTLWYRAPEILLGCKYYSTAVDIWSLGCIFAEMVTRRALFPGDSEIDQLFRIFRTLGTPDEVVWPGVTSMPDYKPSFPKWARQDFSKVVPPLDEDGRSLLSQMLHYDPNKRISAKAALAHPFFQDVTKPVPHLRL-------------------------------------------------------------------------------------------------------------------------- |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 2WPA.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) -170319 for 2173 contacts (-78.4/contact) +
2D Compatibility (PS) -29499 + (NN) -9889 + (LL) 5624
1D Compatibility (HY) -28000 + (ID) 5200
Total energy: -237283.0 ( -109.20 by residue)
QMean score : 0.400
|
|
|