Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSRPQRISVLGATGSIGLSTLDVVQRHPDRYEAFALTGFSRLAELEALCLRHRPVYAVVPEQAAAIALQGSLAAAGIRTRVLFGEQALCEVASAPEVDMVMAAIVGAAGLPSTLAAVEAGKRVLLANKEALVMSGALFMQAVKRSGAVLLPIDSEHNAIFQSLPRNYADGLERVGVRRILLTASGGPFRETPLEQLASVTPEQACAHPNWSMGRKISVDSASMMNKGLELIEACWLFDAQPSQVEVVIHPQSVIHSMVDYVDGSVIAQLGNPDMRTPISYAMAWPERIDSGVSPLDMFAVGRLDFQRPDEQRFPCLRLASQAAETGGSAPAMLNAANEVAVAAFLERHIRFSDIAVIIEDVLNREAVTAVE--SLDQVLAADRRARSVAGQWLTRHAG |
2JCV Chain:A ((23-388)) | -----RVVVLGSTGSIGTQALQVIADNPDRFEVVGLAAGG--AHLDTL-LRQRAQTGVT-----NIAVADEHAAQRVGDIPYHGSDAATRLVEQTEADVVLNALVGALGLRPTLAALKTGARLALANKESLVAGGSLVLRAA-RPGQIV-PVDSEHSALAQCLRGGTPDE-----VAKLVLTASGGPFRGWSAADLEHVTPEQAGAHPTWSMGPMNTLNSASLVNKGLEVIETHLLFGIPYDRIDVVVHPQSIIHSMVTFIDGSTIAQASPPDMKLPISLALGWPRRVSGAAAACDFHTASSWEFEPLDTDVFPAVELARQAGVAGGCMTAVYNAANEEAAAAFLAGRIGFPAIVGIIADVLHAADQWAVEPATVDDVLDAQRWAR------------ |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 2JCV.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) -241755 for 3260 contacts (-74.2/contact) +
2D Compatibility (PS) -38599 + (NN) -14657 + (LL) 2360
1D Compatibility (HY) -26400 + (ID) 8400
Total energy: -327451.0 ( -100.45 by residue)
QMean score : 0.426
|
|
|