Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKNYKAIGKIGEGTFSEVMKMQSLRDGNYYACKQMKQRFESIEQV--NNLREIQALRRLNPHPNILMLHEVVFDRKSGSLALICELMDMNIYEL-----IRGRRYPLSEKKIMHYMYQLCKSLDHIHRNGIFHRDVKPENILIKQD-VLKLGDFGSCRSV-YSKQPYTEYISTRWYRAPECLLTDGFYTYKMDLWSAGCVFYEIASLQPLFPGVNELDQISKIHDVIGTPAQKILTKFKQSRAMNFDFPFKKGSGIPLLTTNLSPQCLSLLHAMVAYDPDERIAAHQALQHPYFQEQRKTEKRALGSHRKAGFPEHPVAPEPLSNSCQISKEGRKQKQSLKQEEDRPKRRGPAYVMELPKLKLSGVVRLSSYSSPTLQSVLGSGTNGRVPVLRPLKCIPASKKTDPQKDLKPAPQQCRLPTIVRKGGR |
3QWK Chain:A ((9-299)) | MENFQKVEKIGEGTYGVVYKARNKLTGEVVALKKIR----T-EGVPSTAIREISLLKELN-HPNIVKLLDVI--HTENKLYLVFEFLHQDLKKFMDASALTGIPLPL----IKSYLFQLLQGLAFCHSHRVLHRDLKPQNLLINTEGAIKLADFGLARAFGVPVRTYTHEVVTLWYRAPEILLGCKYYSTAVDIWSLGCIFAEMVTRRALFPGDSEIDQLFRIFRTLGTPDEVVWPGVTSMPDYKPSFPKWARQDFSKVVPPLDEDGRSLLSQMLHYDPNKRISAKAALAHPFFQDVTKPVPHLRL-------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3QWK.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -167239 for 2157 contacts (-77.5/contact) +
2D Compatibility (PS) -29268 + (NN) -10367 + (LL) 6080
1D Compatibility (HY) -28400 + (ID) 5150
Total energy: -234344.0 ( -108.64 by residue)
QMean score : 0.401
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