Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MAKRLDLTDVNIYYGSFHAVADVSLAILPRSVTAFIGPSGCGKTTVLRTLNRMHEVIPGARVEGAVLLDDQDIYAPGIDPVGVRRAIGMVFQRPNPFPAMSIRNNVVAGLKLQGVRNRKVLDDTAESSLRGANLWDEV--KDRLDKPGGGLSGGQQQRLCIARAIAVQPDVLLMDEPCSSLDPISTMAIEDLISELKQQ-YTIVIVTHNMQQAARVSDQTAFFNLEAVGKPGRLVEIASTEKIFSNPNQKATEDYISGRFG
2OUK Chain:A ((22-263))
-LQMIDVHQLKKSFGSLEVLKGINVHIREGEVVVVIGPSGSGKSTFLRCLNLLEDFD-----EGEIIIDGINLKAKDTNLNKVREEVGMVFQRFNLFPHMTVLNNIT----LAPMKVRKWPREKAEA--KAMELLDKVGLKDKAHAYPDSLSGGQAQRVAIARALAMEPKIMLFDEPTSALDPEMVGEVLSVMKQLANEGMTMVVVTHEMGFAREVGDRVLFMD------GGYIIEEGKPEDLFDRPQHERTKAFLSKVF-
General information:
TITO was launched using:
RESULT:
Template:
2OUK.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -142746 for 1968 contacts (-72.5/contact) +
2D Compatibility (PS) -25964 + (NN) -9387 + (LL) 1028
1D Compatibility (HY) -20000 + (ID) 4250
Total energy: -201319.0 ( -102.30 by residue)
QMean score : 0.536
(partial model without unconserved sides chains):
PDB file :
Tito_2OUK.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2OUK-query.scw
PDB file :
Tito_Scwrl_2OUK.pdb
: