Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSLQGKVALVTGASRGIGQAIALELGRLGAVVIGTATSASGAEKIAETLKANGVEGAGLVLDVSSDESVAATLEHIQQHLGQPLIVVNNAGITRDNLLVRMKDDEWFDVVNTNLNSLYRLSKAVLRGMTKARWGRIINIGSVVGAMGNAGQTNYAAAKAGLEGFTRALAREVGSRAITVNAVAPGFIDTDMTRELPEAQREALLGQIPLGRLGQAEEIAKVVGFLASDGAAYVTGATVPVNGGMYMS
4AG3 Chain:A ((23-269))
MSLQGKVALVTGASRGIGQAIALELGRLGAVVIGTATSASGAEKIAETLKANGVEGAGLVLDVSSDESVAATLEHIQQHLGQPLIVVNNAGITRDNLLVRMKDDEWFDVVNTNLNSLYRLSKAVLRGMTKARWGRIINIGSVVGAMGNAGQTNYAAAKAGLEGFTRALAREVGSRAITVNAVAPGFIDTDMTRELPEAQREALLGQIPLGRLGQAEEIAKVVGFLASDGAAYVTGATVPVNGGMYMS
General information:
TITO was launched using:
RESULT:
Template:
4AG3.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -135989 for 2173 contacts (-62.6/contact) +
2D Compatibility (PS) -26734 + (NN) -10980 + (LL) 0
1D Compatibility (HY) -32000 + (ID) 12350
Total energy: -218053.0 ( -100.35 by residue)
QMean score : 0.645
(partial model without unconserved sides chains):
PDB file :
Tito_4AG3.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4AG3-query.scw
PDB file :
Tito_Scwrl_4AG3.pdb
: