the two TM-scores from US-align show a large discrepancy
Posted: Tue Oct 08, 2024 6:12 am
I am encountering an issue while using US-align to compare multimeric protein structures. The command I used is:
USalign 1ha0. cif 1hgd. cif -ter 0 -mm 1 -outfmt 2
However, I observed that the two TM-scores are quite different, and it seems that only one chain from structure 1 is being compared to all chains in structure 2. This resulted in the following discrepancies:
TM-score = 0.64138 (normalized by the length of Structure_1: L=494, d0=7.90)
TM-score = 0.21099 (normalized by the length of Structure_2: L=1509, d0=12.38)
I am not sure why the comparison is not being made between all chains of both structures.
For additional context: 1ha0 is a trimer composed of three identical monomers, while 1hgd is a hexamer composed of three identical units, each unit resembling a monomer from 1ha0, and each made of two chains.
Could you please advise on how to ensure that the correct chains are being compared in such cases? I have attached the relevant files for your reference. Thank you very much for your time and assistance.
USalign 1ha0. cif 1hgd. cif -ter 0 -mm 1 -outfmt 2
However, I observed that the two TM-scores are quite different, and it seems that only one chain from structure 1 is being compared to all chains in structure 2. This resulted in the following discrepancies:
TM-score = 0.64138 (normalized by the length of Structure_1: L=494, d0=7.90)
TM-score = 0.21099 (normalized by the length of Structure_2: L=1509, d0=12.38)
I am not sure why the comparison is not being made between all chains of both structures.
For additional context: 1ha0 is a trimer composed of three identical monomers, while 1hgd is a hexamer composed of three identical units, each unit resembling a monomer from 1ha0, and each made of two chains.
Could you please advise on how to ensure that the correct chains are being compared in such cases? I have attached the relevant files for your reference. Thank you very much for your time and assistance.