Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MRKRARIIYNPTSGKELFKRELPDALIKLEKAGYETSAYATEKIGDATLEAERAMHENYDVLIAAGGDGTLNEVVNGIAEKPN--RPKLGVIPMGTVNDFGRALHIPNDIMGALDVIIEGHSTKVDIGKMNNR-YFINLAAGGQLTQVSYETPSKLKSIVGPFAYYIKGFEMLPQMKAVDLRIEYDGNVFQGEALLFFLGLTNSMAGFEKLVPDAKLDDGYFTLIIVEKSNLAELGHIMTLASRGEHTKHPKVIYEKAKAINISSFTDLQLNVDGEYGGKLPANFLNLERHIDVFAPNDIVNEELINNDHVDDNLIEE |
2P1R Chain:A ((12-271)) | ------------NGKSADNQPLREAITLLRDEGIQIHVRVTWEKGDAQRYVDEARRLGVETVIAGGGDGTINEVSTALIQIRDGVAPALGLLPLGTANDFATSAGIPEALDKALKLAIAGNAMEIDMAMVNDKTCFINMATGGFGTRITT---------LGGVSYLIHGLMRMDTLTPDRCEIRGENFHWQGDALVIGIGNGRQAGGGQQLCPTALINDGLLQLRIFTGEELLP----ALFSTLTQSDDNPNIIDGASAWFDIHAPHEITFNLDGE------------------------------------------ |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 2P1R.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) -123651 for 1942 contacts (-63.7/contact) +
2D Compatibility (PS) -26328 + (NN) -6346 + (LL) 3892
1D Compatibility (HY) -13200 + (ID) 3550
Total energy: -169183.0 ( -87.12 by residue)
QMean score : 0.357
|
|
|