Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MAKRLDLTDVNIYYGSFHAVADVSLAILPRSVTAFIGPSGCGKTTVLRTLNRMHEVIPGARVEGAVLLDDQDIYAPGIDPVGVRRAIGMVFQRPNPFPAMSIRNNVVAGLKLQGVRNRKVLDDTAESSLRGANLWDEV--KDRLDKPGGGLSGGQQQRLCIARAIAVQPDVLLMDEPCSSLDPISTMAIEDLISELKQQ-YTIVIVTHNMQQAARVSDQTAFFNLEAVGKPGRLVEIASTEKIFSNPNQKATEDYISGRFG
2Q0H Chain:B ((22-263))
-LQMIDVHQLKKSFGSLEVLKGINVHIREGEVVVVIGPSGSGKSTFLRCLNLLEDFD-----EGEIIIDGINLKAKDTNLNKVREEVGMVFQRFNLFPHMTVLNNIT----LAPMKVRKWPREKAEA--KAMELLDKVGLKDKAHAYPDSLSGGQAQRVAIARALAMEPKIMLFDEPTSALDPEMVGEVLSVMKQLANEGMTMVVVTHEMGFAREVGDRVLFMD------GGYIIEEGKPEDLFDRPQHERTKAFLSKVF-
General information:
TITO was launched using:
RESULT:
Template:
2Q0H.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -132143 for 1939 contacts (-68.2/contact) +
2D Compatibility (PS) -26218 + (NN) -13555 + (LL) 1028
1D Compatibility (HY) -20000 + (ID) 4250
Total energy: -195138.0 ( -100.64 by residue)
QMean score : 0.416
(partial model without unconserved sides chains):
PDB file :
Tito_2Q0H.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2Q0H-query.scw
PDB file :
Tito_Scwrl_2Q0H.pdb
: