Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
----MSYMKNEQDIRSQGVYYSAGLR----SYLTKVYNYMALALGITGLIAFLTVFFDLFQVIYSNPVLSIVVILSP-----IVLVFYMSHRLQYLSAQSTVTVFFLFSVLMGLS-----LSYIFIVYTTENIARAFFITSIMFGSMALYGNSTKKDLTSMGSFLIMG-IWGLIIASIVNLFLGSSPLYFAISFI-SVIVFTLMTAYDAQRIKDVYYRYNDGSEAVTTK---LAIFGATNLYFDFINVFLNLLRLL-NLFNNRD
3GUX Chain:A ((17-314))
EVIKAPEFDADSAYQYIQVQADFGPRVPNTQAHKECGEYLAGQLEKFGAKVYNQYADLIAYDGTILKSRNIIGAYKPESKKRILLCAH------WDSRPGASGVGVLLEIARQIQKEQPALGIDIVFFDSEDYQDTWCLGSQYWAR------TPHVQNYNARYGILLDMVGGKDA-----TFYYEGYSARTARSEMKKIWKKAHELGYGKYFVKEDGGETVDDHIYVNKLARIPCVDIINYDNIDRNTLKAVGQTVMDVIYNEK
General information:
TITO was launched using:
RESULT:
Template:
3GUX.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -303544 for 1970 contacts (-154.1/contact) +
2D Compatibility (PS) -23479 + (NN) -5504 + (LL) 1420
1D Compatibility (HY) 3200 + (ID) 1200
Total energy: -329107.0 ( -167.06 by residue)
QMean score : 0.295
(partial model without unconserved sides chains):
PDB file :
Tito_3GUX.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3GUX-query.scw
PDB file :
Tito_Scwrl_3GUX.pdb
: