From: Dong Luo (us917_at_yahoo.com)
Date: Wed May 16 2007 - 11:44:01 CDT

You are welcome.
As you thought, it is the latter case. A new script
with information on this also displayed is attached.

--- lnubiofox <lnubiofox_at_163.com> wrote:

>
> Dear Dong Luo, Thank you very much for your
> script which help me a lot.It seems that you have
> solve the problem which puzzled me for a long time.
> I would like to express my thank to you and cite the
> script named hbond_occupancy in Acknowledgement of
> our paper which will be published soon.By the way,I
> suggest you submit your script to the vmd script
> library so that more users will benefit.
> However,there is still a question: I run the script
> and got a file in the appendix,but the result
> confuses me.For example ,there are many
> ARG35-ASP77s,what's the meaming of it? Is this a bug
> of the script or it means there are many H-bonds
> between ARG35-ASP77? If the latter,then how about
> divide them into main chain-main chain interaction,
> side chain-side chain interaction and main
> chain-side chain interaction?In other words,how to
> calculate main chain-main chain Hbonds,etc.? Use the
> atomselect command of vmd ? I highly appreciate
> your efforts on my question.Thank you again for your
> kind assistance and looking forward to your reply.
> With best regards,
>
>
> Yuan Liu
>
> Liaoning university
>
> ShenYang,P.R.China
> 新萨拉·毕加索上市,全新价格12.58万元> donor
acceptor occupancy
> ARG35 TYR84 0.80%
> ARG38 GLU57 10.89%
> ARG35 GLY59 52.45%
> ARG35 ASP77 24.18%
> ARG38 GLU57 9.79%
> ARG38 GLU78 0.10%
> SER33 GLU74 1.90%
> SER41 GLN55 2.90%
> LYS43 ILE53 44.96%
> ARG15 ASN98 0.20%
> SER33 CYS63 33.47%
> ILE40 GLN55 42.66%
> GLN45 LYS51 61.94%
> ARG44 TYR52 1.80%
> ARG35 ASP77 8.09%
> ARG35 GLU78 0.40%
> VAL37 GLU57 61.64%
> ARG35 GLU80 14.99%
> ARG35 ASP77 19.08%
> ARG38 GLU57 62.84%
> ARG15 ASN98 2.30%
> SER33 GLU74 2.50%
> GLY49 TYR92 14.79%
> SER33 THR61 8.59%
> SER48 TYR92 0.90%
> ARG35 TYR84 2.80%
> ARG38 GLU57 5.29%
> ARG38 GLU57 80.62%
> SER41 GLN55 12.29%
> ARG35 ASP77 36.36%
> ARG35 ASP77 0.10%
> ARG35 ARG60 0.10%
> GLY12 TYR52 7.89%
> ARG35 GLU78 1.10%
> SER33 PRO64 0.40%
> SER33 CYS63 0.20%
> ARG38 GLU57 0.20%
> ARG35 ASP77 0.20%
> ARG15 ASN98 2.10%
> ARG35 GLU80 1.50%
> ARG35 ASP77 1.00%
> ARG35 GLU78 0.10%
> SER34 GLY59 0.30%
> ARG35 GLU80 1.50%
> ARG35 GLU78 0.30%
> SER48 TYR92 0.10%
> ARG15 ASN98 0.20%
> ARG15 ASN98 0.10%
>

 
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