***    ***
Job options:
ID = 2502191537032880541
JOBID =
USERID = unknown
PRIVAT = 0
NMODES = 5
DQMIN = -100
DQMAX = 100
DQSTEP = 20
DOGRAPHS = on
DOPROJMODS = 0
DORMSD = 0
NRBL = 0
CUTOFF = 0
CAONLY = 0
Input data for this run:
REMARK GENERATED BY CHARMM-GUI (HTTP://WWW.CHARMM-GUI.ORG) V3.7 ON FEB, 11. 2025. JOB
REMARK READ PDB, MANIPULATE STRUCTURE IF NEEDED, AND GENERATE TOPOLOGY FILE
REMARK DATE: 2/11/25 11: 2:26 CREATED BY USER: charmm-gui
ATOM 1 C4' GDP H 1 -1.823 -0.289 0.279 1.00 0.00 HETA
ATOM 2 H4' GDP H 1 -2.402 0.433 0.891 1.00 0.00 HETA
ATOM 3 O4' GDP H 1 -0.502 -0.470 0.849 1.00 0.00 HETA
ATOM 4 C1' GDP H 1 0.470 -0.062 -0.090 1.00 0.00 HETA
ATOM 5 H1' GDP H 1 0.617 1.030 0.049 1.00 0.00 HETA
ATOM 6 N9 GDP H 1 1.764 -0.770 0.065 1.00 0.00 HETA
ATOM 7 C4 GDP H 1 3.009 -0.199 0.202 1.00 0.00 HETA
ATOM 8 N2 GDP H 1 5.112 2.647 0.410 1.00 0.00 HETA
ATOM 9 H21 GDP H 1 6.091 2.817 0.519 1.00 0.00 HETA
ATOM 10 H22 GDP H 1 4.518 3.448 0.334 1.00 0.00 HETA
ATOM 11 N3 GDP H 1 3.282 1.120 0.218 1.00 0.00 HETA
ATOM 12 C2 GDP H 1 4.609 1.379 0.366 1.00 0.00 HETA
ATOM 13 N1 GDP H 1 5.553 0.343 0.484 1.00 0.00 HETA
ATOM 14 H1 GDP H 1 6.524 0.595 0.592 1.00 0.00 HETA
ATOM 15 C6 GDP H 1 5.275 -1.045 0.467 1.00 0.00 HETA
ATOM 16 O6 GDP H 1 6.119 -1.940 0.572 1.00 0.00 HETA
ATOM 17 C5 GDP H 1 3.890 -1.266 0.313 1.00 0.00 HETA
ATOM 18 N7 GDP H 1 3.220 -2.462 0.249 1.00 0.00 HETA
ATOM 19 C8 GDP H 1 1.965 -2.133 0.103 1.00 0.00 HETA
ATOM 20 H8 GDP H 1 1.142 -2.843 0.018 1.00 0.00 HETA
ATOM 21 C2' GDP H 1 -0.162 -0.191 -1.460 1.00 0.00 HETA
ATOM 22 H2'' GDP H 1 0.407 0.435 -2.180 1.00 0.00 HETA
ATOM 23 O2' GDP H 1 -0.173 -1.521 -1.936 1.00 0.00 HETA
ATOM 24 H2' GDP H 1 -1.059 -1.739 -2.235 1.00 0.00 HETA
ATOM 25 C3' GDP H 1 -1.564 0.286 -1.132 1.00 0.00 HETA
ATOM 26 H3' GDP H 1 -1.622 1.394 -1.107 1.00 0.00 HETA
ATOM 27 O3' GDP H 1 -2.562 -0.121 -2.067 1.00 0.00 HETA
ATOM 28 H3T GDP H 1 -3.429 0.050 -1.693 1.00 0.00 HETA
ATOM 29 C5' GDP H 1 -2.690 -1.546 0.504 1.00 0.00 HETA
ATOM 30 H5' GDP H 1 -2.829 -1.685 1.597 1.00 0.00 HETA
ATOM 31 H5'' GDP H 1 -2.151 -2.424 0.090 1.00 0.00 HETA
ATOM 32 O5' GDP H 1 -3.995 -1.498 -0.106 1.00 0.00 HETA
ATOM 33 PA GDP H 1 -4.996 -0.271 0.083 1.00 0.00 HETA
ATOM 34 O1A GDP H 1 -4.617 0.564 -1.089 1.00 0.00 HETA
ATOM 35 O2A GDP H 1 -4.674 0.243 1.440 1.00 0.00 HETA
ATOM 36 O3A GDP H 1 -6.308 -1.043 0.008 1.00 0.00 HETA
ATOM 37 PB GDP H 1 -7.642 -0.186 -0.290 1.00 0.00 HETA
ATOM 38 O1B GDP H 1 -7.631 1.122 0.500 1.00 0.00 HETA
ATOM 39 O2B GDP H 1 -8.749 -1.122 0.194 1.00 0.00 HETA
ATOM 40 O3B GDP H 1 -7.690 0.005 -1.803 1.00 0.00 HETA
TER 41 GDP 1
END
If you find results from this site helpful for your research, please cite one of our papers:
elNémo
is maintained by Yves-Henri Sanejouand.
It was developed
by Karsten Suhre.
Between 2003 and 2014, it was hosted by IGS (Marseille).
Last modification: April 8th, 2025.
|