Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MEDFLLSNGYQLGKTIGEGTYSKVKEAFSKKHQRKVAIKVIDKMGGPEEFIQRFLPRELQIVRTLDHKNIIQVYEMLESADGKICLVMELAEGGDVFDCVLNGGPLPESRAKALFRQMVEAIRYCHGCGVAHRDLKCENALLQG----FNLKLTDFGFAKVLPKSHRELSQTFCGSTAYAAPEVLQGIPHDSKKGDVWSMGVVLYVMLCASLPF---DDTDIPKMLWQQQKGVSFPTHLSISADCQDLLKRLLEPDMILRPSIEEVSWHPWLAST
2WEI Chain:A ((24-280))
---------YNIVCMLGKGSFGEVLKCKDRITQQEYAVKVINKASAKNKDTSTIL-REVELLKKLDHPNIMKLFEILEDSSS-FYIVGELYTGGELFDEIIKRKRFSEHDAARIIKQVFSGITYMHKHNIVHRDLKPENILLESKEKDCDIKIIDFGLSTCFQQNTKMKDR--IGTAYYIAPEVLRGTYDE--KCDVWSAGVILYILLSGTPPFYGKNEYDILKRVETGKYAFDLPQWRTISDDAKDLIRKMLTFHPSLRITATQCLEHPWIQKY
General information:
TITO was launched using:
RESULT:
Template:
2WEI.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -155519 for 1987 contacts (-78.3/contact) +
2D Compatibility (PS) -26709 + (NN) -11506 + (LL) 584
1D Compatibility (HY) -22000 + (ID) 4100
Total energy: -219250.0 ( -110.34 by residue)
QMean score : 0.399
(partial model without unconserved sides chains):
PDB file :
Tito_2WEI.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2WEI-query.scw
PDB file :
Tito_Scwrl_2WEI.pdb
: