Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKIGIIGATGRAGSRILEEAKNRGHEVTAIVRNAGKITQTHKDINILQKDIFDLT--L-SDLSDQNVVVDAYGVSPDE--AEKHVTSLDHLISVLNGTV-SPRLLVVGGAASLQIDEDGN---TLLESKGLREAPYYPTARAQAKQLEHLRSHQAEFSWTYISPSAMFEPGERTGDYQIGKDHLLFGSDGNSFISMEDYAIAVLDEIERPNHLNERFTVAGK
3H2S Chain:A ((1-214))
MKIAVLGATGRAGSAIVAEARRRGHEVLAVVRDPQKAAD-RLGATVATL-VKEPLVLTEADLDSVDAVVDALSVPWGSGRGYLHLDFATHLVSLLRNSDTLAVFILGSASLAMPGAD-HPMILDFPESAASQPWYDGALYQYY--EYQFLQMN-ANVNWIGISPSEAFPSGPAT-SYVAGKDTLLVGEDGQSHITTGNMALAILDQLEHPTAIRDRIVVRD-
General information:
TITO was launched using:
RESULT:
Template:
3H2S.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -61362 for 1649 contacts (-37.2/contact) +
2D Compatibility (PS) -22133 + (NN) -5171 + (LL) 120
1D Compatibility (HY) -10000 + (ID) 3300
Total energy: -101846.0 ( -61.76 by residue)
QMean score : 0.496
(partial model without unconserved sides chains):
PDB file :
Tito_3H2S.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3H2S-query.scw
PDB file :
Tito_Scwrl_3H2S.pdb
: