Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSLQGKVALVTGASRGIGQAIALELGRLGAVVIGTATSASGAEKIAETLKANGVEGAGLVLDVSSDESVAATLEHIQQHLGQPLIVVNNAGITRDNLLVRMKDDEWFDVVNTNLNSLYRLSKAVLRGMTKARWGRIINIGSVVGAMGNAGQTNYAAAKAGLEGFTRALAREVGSRAITVNAVAPGFIDTDMTRELPEAQREALLGQIPLGRLGQAEEIAKVVGFLASDGAAYVTGATVPVNGGMYMS
4BNU Chain:D ((23-269))
MSLQGKVALVTGASRGIGQAIALELGRLGAVVIGTATSASGAEKIAETLKANGVEGAGLVLDVSSDESVAATLEHIQQHLGQPLIVVNNAGI------VRMKDDEWFDVVNTNLNSLYRLSKAVLRGMTKARWGRIINIGSVVGAMGNAGQTNYAAAKAGLEGFTRALAREVGSRAITVNAVAPGFIDTDMTRELPEAQREALLGQIPLGRLGQAEEIAKVVGFLASDGAAYVTGATVPVNGGMYMS
General information:
TITO was launched using:
RESULT:
Template:
4BNU.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -159266 for 2056 contacts (-77.5/contact) +
2D Compatibility (PS) -26459 + (NN) -15460 + (LL) 348
1D Compatibility (HY) -31200 + (ID) 12050
Total energy: -244087.0 ( -118.72 by residue)
QMean score : 0.632
(partial model without unconserved sides chains):
PDB file :
Tito_4BNU.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4BNU-query.scw
PDB file :
Tito_Scwrl_4BNU.pdb
: