Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
LLKTEHISFQY-EDGKQALTDVSIDLEKGNIIGLIGANGSGKSTLFMQLLGINKPSDGTVYFEGKPLAYTKKALFALRKKVSIVFQDPDQQIFYSNVRDDVAFALRNLGVSESEVEARVTKVLDIVGAKDFQHKPVQYLSYGQKKRVAIAGALVLDTDWLLLDEPTAGLDPIGKKIMMEIIERLASQGKKILIS-SHDIDLIYEICDYVYMLKDGSVLTDGETSSVFLEKSNIELAGLVQPWLIKLHQQAGYPLFKKEADFFAHTGKVTN
4HUQ Chain:B ((5-247))
IISVDHLTYQYDENQAPALTDVSFTVHAGEWLAIVGHNGSGKSTLAKSLDGLLPFTQGSVTVGG--ITLTPETVWQVREQIGMIFQNPDNQFVGATVEDDVAFGLENRQISRDEMVPRVQAALAQVGMTSFAQREPSSLSGGQKQRVALAGIVAIAPKILILDEATSMLDPQGRIEMLAIVRQLRQQQNLTVISITHDIDEAAS-ADRVLVIDDGRLVDEAVPSQIFERGTQLVEMGLDLPFTEKL------------------------
General information:
TITO was launched using:
RESULT:
Template:
4HUQ.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -148245 for 1931 contacts (-76.8/contact) +
2D Compatibility (PS) -26127 + (NN) -13223 + (LL) 1504
1D Compatibility (HY) -17600 + (ID) 4400
Total energy: -208091.0 ( -107.76 by residue)
QMean score : 0.437
(partial model without unconserved sides chains):
PDB file :
Tito_4HUQ.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4HUQ-query.scw
PDB file :
Tito_Scwrl_4HUQ.pdb
: