Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MRIWIKSLLVITACIFSLTLLNTKYTFYSPTVKLESAKVVYKLNNEPFNVRLDVPLVNQMDAPTLFNGCEVTSLAMLLQFNGKRVT-----KNELANNLSTTPIEQNGLHGNPDKAFVGSISGDSPGLGVNHAPIAKLAAKYVNEAHVHDISGNSI----QDIITVLS-TGAPVWIITTTDYHAPKNWQTVQTKEGKKKITYSMHSVIITGFDK--NNFYINDPYGH--KNRAVKRSVLEEGWSAMGKQAIYLSRP |
2BU3 Chain:A ((77-232)) | ----------------------------------------------------------------NQAYCGVASIIMVLNSLGINA-YRVFTQDNFFS---TKAV-------IAP-EV-------VARQGMTLDELGRLIASYGVKVKVNHASDTNIEDFRKQVAENLKQDGNFVIVNYLRKEIG---------------QERGGHISPLAAYNEQTDRFLIMDVSRYKYPPVWVKTTDLWKAM------------- |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 2BU3.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) -62003 for 917 contacts (-67.6/contact) +
2D Compatibility (PS) -14625 + (NN) -8286 + (LL) 7144
1D Compatibility (HY) -4000 + (ID) 1200
Total energy: -82970.0 ( -90.48 by residue)
QMean score : 0.467
|
|
|