Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKDTLKLYFVCGTVDCSRKNILTVVEEALQAGITLFQFREKGFTALQGKEKIAMAKQLQILCKQYQVPFIIDDDIDLVELIDADGLHIGQNDLPVDEARRRLPDKIIGLSVSTMAEYQKSQLSVVDYIGIGPFNPTQSKADAKPAVGNRTTKAVREINQDIPIVAIGGITSDFVHDIIESGADGIAVISAISKANHIVDATRQLRYEVEKALVNRQKRSDVIK
3O16 Chain:A ((22-233))
MKELLSVYFIMGS-NNTKADPVTVVQKALKGGATLYQFREKGGDALTGEARIKFAEKAQAACREAGVPFIVNDDVELALNLKADGIHIGQEDANAKEVRAAIGDMILGVSAHTMSEVKQAEEDGADYVGLGPIYPT-----------VSLIEAVRRQGISIPIVGIGGITIDNAAPVIQAGADGVSMISAISQAEDPESAARKFREEIQTYKT----------
General information:
TITO was launched using:
RESULT:
Template:
3O16.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -166576 for 1705 contacts (-97.7/contact) +
2D Compatibility (PS) -22547 + (NN) -13332 + (LL) 1308
1D Compatibility (HY) -10800 + (ID) 4300
Total energy: -216247.0 ( -126.83 by residue)
QMean score : 0.624
(partial model without unconserved sides chains):
PDB file :
Tito_3O16.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3O16-query.scw
PDB file :
Tito_Scwrl_3O16.pdb
: