Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MVVAKKSLGQHFLMDESFLDRIVNALPPLNSLRLIEIGVGLGDLTLKLLDRYPLK----TYEIDSNLCEKMRARLRAEKKPFQLELVEKDALFLKEEEPYFLI--SNLPYYIATRLVLNALKD-PKCRGLLVMTQKEVALKFCAK--DSQNA-LSVLAHTIGNATLLFDVPPSAFSPPPKVFSSVFEVIKEPLKEKALASLAQAPFFEEALQKGFETLEDFLKACFSSPRKTLSNNLKKSVSYKEKLDKVLDFLALENQPTSVRASEVKDYLKLLKSVLKG
2H1R Chain:A ((2-209))
----------HLLKNPGILDKIIYAAKIKSSDIVLEIGCGTGNLTVKLL---PLAKKVITIDIDSRMISEVKKRCLYEGYN-NLEV----A--IKTVFPKFDVCTANIPYKISSPLIFKLISHRPLFKCAVLMFQKEFAERMLANVGDSNYSRLTINVKLFCKVTKVCNVNRSSFNPPPKVDSVIVKLIPK----------------ESSFLTNFDEWDNLLRICFSRKRKTLHAIFKRNAVLNMLEHNYKNWCTLNKQVPVNFPFKKYCLDVLEHLDMCE
General information:
TITO was launched using:
RESULT:
Template:
2H1R.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -95096 for 1375 contacts (-69.2/contact) +
2D Compatibility (PS) -21020 + (NN) -11703 + (LL) 3212
1D Compatibility (HY) -19200 + (ID) 3400
Total energy: -147207.0 ( -107.06 by residue)
QMean score : 0.522
(partial model without unconserved sides chains):
PDB file :
Tito_2H1R.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2H1R-query.scw
PDB file :
Tito_Scwrl_2H1R.pdb
: