Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSLQGKVALVTGASRGIGQAIALELGRLGAVVIGTATSASGAEKIAETLKANGVEGAGLVLDVSSDESVAATLEHIQQHLGQPLIVVNNAGITRDNLLVRMKDDEWFDVVNTNLNSLYRLSKAVLRGMTKARWGRIINIGSVVGAMGNAGQTNYAAAKAGLEGFTRALAREVGSRAITVNAVAPGFIDTDMTRELPEAQREALLGQIPLGRLGQAEEIAKVVGFLASDGAAYVTGATVPVNGGMYMS
4BNX Chain:A ((23-268))
MSLQGKVALVTGASRGIGQAIALELGRLGAVVIGTATSASGAEKIAETLKANGVEGAGLVLDVSSDESVAATLEHIQQHLGQPLIVVNNA---------RMKDDEWFDVVNTNLNSLYRLSKAVLRGMTKARWGRIINIGSVVGAMGNAGQTNYAAAKAGLEGFTRALAREVGSRAITVNAVAPGFIDTDMTRELPEAQREALLGQIPLGRLGQAEEIAKVVGFLASDGAAYVTGATVPVNGGMYM-
General information:
TITO was launched using:
RESULT:
Template:
4BNX.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -160032 for 2029 contacts (-78.9/contact) +
2D Compatibility (PS) -26048 + (NN) -15639 + (LL) 544
1D Compatibility (HY) -30400 + (ID) 11850
Total energy: -243425.0 ( -119.97 by residue)
QMean score : 0.667
(partial model without unconserved sides chains):
PDB file :
Tito_4BNX.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4BNX-query.scw
PDB file :
Tito_Scwrl_4BNX.pdb
: