Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MEDFLLSNGYQLGKTIGEGTYSKVKEAFSKKHQRKVAIKVIDKMGGPEEFIQRFLPRELQIVRTLDHKNIIQVYEMLESADGKICLVMELAEGGDVFDCVLNGGPLPESRAKALFRQMVEAIRYCHGCGVAHRDLKCENALLQGF----NLKLTDFGFAKVLPKSHRELSQTFCGSTAYAAPEVLQGIPHDSKKGDVWSMGVVLYVMLCASLPF---DDTDIPKMLWQQQKGVSFPTHLSISADCQDLLKRLLEPDMILRPSIEEVSWHPWLAST
3MWU Chain:A ((24-280))
---------YNIVCMLGKGSFGEVLKCKDRITQQEYAVKVINKASAKNKDTSTIL-REVELLKKLDHPNIMKLFEILEDS-SSFYIVGELYTGGELFDEIIKRKRFSEHDAARIIKQVFSGITYMHKHNIVHRDLKPENILLESKEKDCDIKIIDFGLSTCFQQN----DR--IGTAYYIAPEVLRGTYDE--KCDVWSAGVILYILLSGTPPFYGKNEYDILKRVETGKYAFDLPQWRTISDDAKDLIRKMLTFHPSLRITATQCLEHPWIQKY
General information:
TITO was launched using:
RESULT:
Template:
3MWU.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -144690 for 1915 contacts (-75.6/contact) +
2D Compatibility (PS) -25992 + (NN) -11218 + (LL) 868
1D Compatibility (HY) -21600 + (ID) 4100
Total energy: -206732.0 ( -107.95 by residue)
QMean score : 0.405
(partial model without unconserved sides chains):
PDB file :
Tito_3MWU.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3MWU-query.scw
PDB file :
Tito_Scwrl_3MWU.pdb
: