Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MEDFLLSNGYQLGKTIGEGTYSKVKEAFSKKHQRKVAIKVIDKMGGPEEFIQRFLPRELQIVRTLDHKNIIQVYEMLESADGKICLVMELAEGGDVFDCVLNGGPLPESRAKALFRQMVEAIRYCHGCGVAHRDLKCENALLQGF----NLKLTDFGFAKVLPKSHRELSQTFCGSTAYAAPEVLQGIPHDSKKGDVWSMGVVLYVMLCASLPF---DDTDIPKMLWQQQKGVSFPTHLSISADCQDLLKRLLEPDMILRPSIEEVSWHPWLAST
4Y5Q Chain:A ((24-280))
---------YNIVCMLGKGSFGEVLKCKDRITQQEYAVKVINKASAKNKDTSTIL-REVELLKKLDHPNIMKLFEILEDS-SSFYIVGELYTGGELFDEIIKRKRFSEHDAARIIKQVFSGITYMHKHNIVHRDLKPENILLESKEKDCDIKIIDFGLSTCFQQNT---DR--IGTAYYIAPEVLRGTYDE--KCDVWSAGVILYILLSGTPPFYGKNEYDILKRVETGKYAFDLPQWRTISDDAKDLIRKMLTFHPSLRITATQCLEHPWIQKY
General information:
TITO was launched using:
RESULT:
Template:
4Y5Q.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -138278 for 1925 contacts (-71.8/contact) +
2D Compatibility (PS) -26136 + (NN) -11360 + (LL) 824
1D Compatibility (HY) -21600 + (ID) 4100
Total energy: -200650.0 ( -104.23 by residue)
QMean score : 0.405
(partial model without unconserved sides chains):
PDB file :
Tito_4Y5Q.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4Y5Q-query.scw
PDB file :
Tito_Scwrl_4Y5Q.pdb
: