Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MFEKWIGLTLLLSSLGYPCQKVSISFKQYENLIHIHQKGCNNEVVCRTLISIALLESSLGLNN-KREKSLKDTSYSMFHITLNTAKKFYPTYSKTLLKTKLLNDVGFAIQLAKQILKENFDYYHQKHPNKSVYQLVEMAIGAYNGGMKH--N---------PNGAYMKKFRCIYSQVRYNE
3W6B Chain:A ((51-178))
------------------------------------NAYGKGGDFALLLSAVIKKESYFGDGLSGSP----SAGDGLMQVEPNTRNAYLSQFSAKYGHAYNHSSEQDQVYMGSLILNEKIV----RFG-S----I-YSGLLHYNGGDYWYPGATDSYGRPILADQYANTVYAQYKSYGGRY
General information:
TITO was launched using:
RESULT:
Template:
3W6B.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -45242 for 817 contacts (-55.4/contact) +
2D Compatibility (PS) -12211 + (NN) -4836 + (LL) 4148
1D Compatibility (HY) -1600 + (ID) 800
Total energy: -60541.0 ( -74.10 by residue)
QMean score : 0.460
(partial model without unconserved sides chains):
PDB file :
Tito_3W6B.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3W6B-query.scw
PDB file :
Tito_Scwrl_3W6B.pdb
: