Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSLQGKVALVTGASRGIGQAIALELGRLGAVVIGTATSASGAEKIAETLKANGVEGAGLVLDVSSDESVAATLEHIQQHLGQPLIVVNNAGITRDNLLVRMKDDEWFDVVNTNLNSLYRLSKAVLRGMTKARWGRIINIGSVVGAMGNAGQTNYAAAKAGLEGFTRALAREVGSRAITVNAVAPGFIDTDMTRELPEAQREALLGQIPLGRLGQAEEIAKVVGFLASDGAAYVTGATVPVNGGMYMS
3RRO Chain:B ((8-250))
MNLEGKVALVTGASRGIGKAIAELLAERGAKVIGTATSESGAQAISDYLGDNG---KGMALNVTNPESIEAVLKAITDEFGGVDILVNNAGITRDNLLMRMKEEEWSDIMETNLTSIFRLSKAVLRGMMKKRQGRIINVGSVVGTMGNAGQANYAAAKAGVIGFTKSMAREVASRGVTVNTVAPGFIETDMTKALNDEQRTATLAQVPAGRLGDPREIASAVAFLASPEAAYITGETLHVNGGMYM-
General information:
TITO was launched using:
RESULT:
Template:
3RRO.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -143375 for 2100 contacts (-68.3/contact) +
2D Compatibility (PS) -26163 + (NN) -9880 + (LL) 96
1D Compatibility (HY) -23600 + (ID) 7900
Total energy: -210822.0 ( -100.39 by residue)
QMean score : 0.595
(partial model without unconserved sides chains):
PDB file :
Tito_3RRO.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3RRO-query.scw
PDB file :
Tito_Scwrl_3RRO.pdb
: