Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
--MPSDTSPNGLSRREELLAVATKLFAARGYHGTRMDDVADVIGLNKATVYHYYASKSLILFDIYRQAAEGTLAAVHD--DPSWTAREALYQYTVRLLTAIASNPERAAVYFQEQPYITEWFTSEQVAEVREKEQQVYEHVHGLIDRGIASGEFYECDSHVVALGYIGMTLGSY--RWLRPSGRRTAKEIAAEFSTALLRGLIRDESIRNQSPLGTRKET
2PBX Chain:A ((5-200))
IEKRPRTRLSPQKRKLQLMEIALEVFAKRGIGRGGHADIAEIAQVSVATVFNYFPTREDLVDDVLNFVVRQYSNFLTDHIDLDLDVKTNLQTLCKEMVKLAMTDCHWLKVWFEWSASTRD----EVWPLFVSTNRTNQLLIRNMFMKAMERGELCEKHDVDNMASLFHGIFYSIFLQVNRLGEQEAVYKLADSYLNMLCI--------------------
General information:
TITO was launched using:
RESULT:
Template:
2PBX.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -79303 for 1373 contacts (-57.8/contact) +
2D Compatibility (PS) -20908 + (NN) -9487 + (LL) 1172
1D Compatibility (HY) -9200 + (ID) 1400
Total energy: -119126.0 ( -86.76 by residue)
QMean score : 0.504
(partial model without unconserved sides chains):
PDB file :
Tito_2PBX.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2PBX-query.scw
PDB file :
Tito_Scwrl_2PBX.pdb
: