Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSLQGKVALVTGASRGIGQAIALELGRLGAVVIGTATSASGAEKIAETLKANGVEGAGLVLDVSSDESVAATLEHIQQHLGQPLIVVNNAGITRDNLLVRMKDDEWFDVVNTNLNSLYRLSKAVLRGMTKARWGRIINIGSVVGAMGNAGQTNYAAAKAGLEGFTRALAREVGSRAITVNAVAPGFIDTDMTRELPEAQREALLGQIPLGRLGQAEEIAKVVGFLASDGAAYVTGATVPVNGGMYMS
4BNT Chain:A ((23-269))
MSLQGKVALVTGASRGIGQAIALELGRLGAVVIGTATSASGAEKIAETLKANGVEGAGLVLDVSSDESVAATLEHIQQHLGQPLIVVNNA----------MKDDEWFDVVNTNLNSLYRLSKAVLRGMTKARWGRIINIGSVVGAMGNAGQTNYAAAKAGLEGFTRALAREVGSRAITVNAVAPGFIDTDMTRELPEAQREALLGQIPLGRLGQAEEIAKVVGFLASDGAAYVTGATVPVNGGMYMS
General information:
TITO was launched using:
RESULT:
Template:
4BNT.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -161585 for 2011 contacts (-80.4/contact) +
2D Compatibility (PS) -26080 + (NN) -16179 + (LL) 672
1D Compatibility (HY) -30400 + (ID) 11850
Total energy: -245422.0 ( -122.04 by residue)
QMean score : 0.650
(partial model without unconserved sides chains):
PDB file :
Tito_4BNT.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4BNT-query.scw
PDB file :
Tito_Scwrl_4BNT.pdb
: