Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKIGIIGATGRAGSRILEEAKNRGHEVTAIVRNAGKIT-QTHKDINILQKDIFDLTLSDLSDQNVVVDAYGVSPDEAEK--HVTSLDHLISVLNGTVSPRLLVVGGAASLQIDEDGNTLLE-SKGLREAPYYPTARAQAKQLEHLRSHQAEFSWTYISPSAMFEPGERTGDYQIGKDHLLFGSDGNSFISMEDYAIAVLDEIERPNHLNERFTVAGK
3H2S Chain:A ((2-212))
-KIAVLGATGRAGSAIVAEARRRGHEVLAVVRDPQKAADRLGATVATLVKEPLVLTEADLDSVDAVVDALSVPWGSGRGYLHLDFATHLVSLLRNSDTLAVFILGSASLAMPGADHPMILDFPESAASQPWYDGALYQYYEYQFLQMN-ANVNWIGISPSEAFPSGPATS-YVAGKDTLLVGEDGQSHITTGNMALAILDQLEHPTAIRDRIVV---
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) -76656 for 1660 contacts (-46.2/contact) +
2D Compatibility (PS) -22235 + (NN) -7667 + (LL) 288
1D Compatibility (HY) -13600 + (ID) 3750
Total energy: -123620.0 ( -74.47 by residue)
QMean score : 0.526
(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
: