Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MQLKDKNIFITGSSRGIGLAIAHQFAQLGANIVLNGRSEISEDLIAEFADYGVKVIAISGDVSSFEDANRMIKEAIASLGSVDVLVNNAGITNDKLMLKMTVEDFESVLKINLTGAFNMTQSVLKPMTKARQGAIINISSVVGLTGNVGQANYAASKAGLIGFTKSVAREVAARGIRVNAIAPGFIESDMTDVIPEKMQEAILAQIPMKRIGKGKEVAQVASFLAEQE--YLTGQVIAIDGGMTMQ
3RRO Chain:B ((8-250))
MNLEGKVALVTGASRGIGKAIAELLAERGAKVIGTATSESGAQAISDYLGDNGKGMAL--NVTNPESIEAVLKAITDEFGGVDILVNNAGITRDNLLMRMKEEEWSDIMETNLTSIFRLSKAVLRGMMKKRQGRIINVGSVVGTMGNAGQANYAAAKAGVIGFTKSMAREVASRGVTVNTVAPGFIETDMTKALNDEQRTATLAQVPAGRLGDPREIASAVAFLASPEAAYITGETLHVNGGMYMI
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) -114633 for 2071 contacts (-55.4/contact) +
2D Compatibility (PS) -26045 + (NN) -5238 + (LL) -200
1D Compatibility (HY) -17600 + (ID) 5650
Total energy: -169366.0 ( -81.78 by residue)
QMean score : 0.529
(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
: