Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MRKEKTSQLVQLAIVTAISIVLGMFISIPTPTGFLTLLDAGIFFAAFYFGKKEGAVVGALAGFLIDLLKGYPNWMFFSLLIHG--------AQGYLAGLPGRRRLLGLISATLVMVLGYAIASGLMYGWGAVLPDI-PGNIMQNMVGMVVGFALNKSLERVKK--
4GA2 Chain:A ((2-145))
-RRSKADVERYIASVQGST---------PSPRQKSI---KGFYFAKLYYEAKEYDLAKKYICTYINVQERDPKAHRFLGLLYELEENTDKAVECYRRSVELNPTQKDLVLKIAELLCKNDVTDGRAKYWVERAAKLFPGS--------PAVYKLKEQLLDCEGED
General information:
TITO was launched using:
RESULT:
Template:
4GA2.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -109816 for 938 contacts (-117.1/contact) +
2D Compatibility (PS) -13484 + (NN) -5020 + (LL) 2492
1D Compatibility (HY) -1200 + (ID) 1200
Total energy: -128228.0 ( -136.70 by residue)
QMean score : 0.314
(partial model without unconserved sides chains):
PDB file :
Tito_4GA2.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4GA2-query.scw
PDB file :
Tito_Scwrl_4GA2.pdb
: