Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSGMAKYMEIYIDIRDKINQNKYEINEKLPDGDSLARVYDCSKLTVKKALDMLVQEGMVIRRRGAGTFVKSHSTNGGEFALGPMSGLVNTFGKDNIKSKVILFSIEKPSKEVAEKLEM-QDDYIYRIIRMREVGHKAYSIEHTYMPLAIIPGLEPRHLEDSIYNYIRDDLKLKMQSAHVWVRGDKSNQEDSKLLDLEEPTFMMEIEKLAHLEDGRVFEYSITRHTYESFVFETVFVQN
3BWG Chain:A ((8-230))
-------QQIATEIETYIEEHQLQQGDKLPVLETLMAQFEVSKSTITKSLELLEQKGAIFQVRGSGIFVRKHKRKG-YISLLSNQG------DFNVTSKVIELDVRKPTPEAAENLNIGMDEDIYYVKRVRYINGQTLCYEESYYTKSIVTYLNNEIVSHSIFHYIREGLGLKIGFSDLFLHVGQLNEEEAEYLGLEAGLPKLYIESIFHLTNGQPFDYSKISYNYEQSQF-------
General information:
TITO was launched using:
RESULT:
Template:
3BWG.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -99580 for 1528 contacts (-65.2/contact) +
2D Compatibility (PS) -23226 + (NN) -6959 + (LL) 1356
1D Compatibility (HY) -15600 + (ID) 3400
Total energy: -147409.0 ( -96.47 by residue)
QMean score : 0.446
(partial model without unconserved sides chains):
PDB file :
Tito_3BWG.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3BWG-query.scw
PDB file :
Tito_Scwrl_3BWG.pdb
: