Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MQRSLLFALLATLLLVGGARAETDPDYSMVLLTE-NFPPYNMAINGKNFAQEDNIDGIAVDIVREMFKRAGIKYSLTLRFPWDRIYKLALEKPGYGVF-VTARLAEREDKFKWVGPIGPDDWVLLAKGDSPITLGSLDEAKKYRIGAYKGDAIAEFLGKNGF--EADLAL-RDQENAQKLVKGQIDLWASGDPAGRYLAKQEGVTGLKTV-LRFN-----SDQLYLALNRETPDEVVQKLQAALDGMRKEGFVEDILNSYL
3TQL Chain:A ((2-227))
--------------------------DTIKFATEATYPPYVYMG--------GQVEGFGADIVKAVCKQMQAVCTISN-QPWDSLIPSLKLGKFDALFGGMNITTARQKEVDFTDPYYTNSVSFIADKNTP-LTLSKQGLKGKIIGVQGGTTFDSYLQDSFGNSITIQRYPSEEDALMDLTSGRVDAVVGDTPLIKQWLKQNGRREYVLIGKPVNDPNYFGKGVGIAVKKG-NQALLLKLNKALAAIKANGVYAAIVQKYF
General information:
TITO was launched using:
RESULT:
Template:
3TQL.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -101880 for 1670 contacts (-61.0/contact) +
2D Compatibility (PS) -23854 + (NN) -16269 + (LL) 2792
1D Compatibility (HY) -9200 + (ID) 2000
Total energy: -150411.0 ( -90.07 by residue)
QMean score : 0.514
(partial model without unconserved sides chains):
PDB file :
Tito_3TQL.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3TQL-query.scw
PDB file :
Tito_Scwrl_3TQL.pdb
: