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Job options:
ID = 260128021931177264
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:
ATOM 1 N LYS 1 32.824 23.665 31.959
ATOM 2 H1 LYS 1 33.501 24.121 31.319
ATOM 3 H2 LYS 1 32.035 23.275 31.411
ATOM 4 H3 LYS 1 33.299 22.897 32.469
ATOM 5 CA LYS 1 32.310 24.654 32.920
ATOM 6 CB LYS 1 33.445 25.057 33.883
ATOM 7 CG LYS 1 32.984 25.692 35.194
ATOM 8 CD LYS 1 34.128 26.346 35.967
ATOM 9 CE LYS 1 34.047 26.153 37.481
ATOM 10 NZ LYS 1 33.643 27.417 38.127
ATOM 11 HZ1 LYS 1 34.231 28.196 37.774
ATOM 12 HZ2 LYS 1 32.647 27.615 37.913
ATOM 13 HZ3 LYS 1 33.763 27.341 39.154
ATOM 14 C LYS 1 31.799 25.851 32.176
ATOM 15 O LYS 1 30.602 26.141 32.220
ATOM 16 N ASP 2 32.708 26.535 31.436
ATOM 17 H ASP 2 33.663 26.250 31.399
ATOM 18 CA ASP 2 32.404 27.712 30.668
ATOM 19 CB ASP 2 33.666 28.421 30.090
ATOM 20 CG ASP 2 34.514 27.535 29.166
ATOM 21 OD1 ASP 2 34.877 26.398 29.570
ATOM 22 OD2 ASP 2 34.802 27.991 28.029
ATOM 23 C ASP 2 31.448 27.426 29.551
ATOM 24 O ASP 2 30.487 28.171 29.369
ATOM 25 N GLN 3 31.647 26.293 28.835
ATOM 26 H GLN 3 32.417 25.689 29.026
ATOM 27 CA GLN 3 30.807 25.911 27.727
ATOM 28 CB GLN 3 31.413 24.775 26.880
ATOM 29 CG GLN 3 32.714 25.195 26.167
ATOM 30 CD GLN 3 32.476 26.386 25.231
ATOM 31 OE1 GLN 3 31.610 26.386 24.356
ATOM 32 NE2 GLN 3 33.258 27.474 25.456
ATOM 33 1HE2 GLN 3 33.141 28.298 24.902
ATOM 34 2HE2 GLN 3 33.924 27.467 26.203
ATOM 35 C GLN 3 29.416 25.560 28.169
ATOM 36 O GLN 3 28.457 25.792 27.430
ATOM 37 N ALA 4 29.291 25.031 29.411
ATOM 38 H ALA 4 30.090 24.882 29.988
ATOM 39 CA ALA 4 28.039 24.643 30.001
ATOM 40 CB ALA 4 28.212 23.967 31.371
ATOM 41 C ALA 4 27.126 25.827 30.180
ATOM 42 O ALA 4 25.915 25.659 30.020
ATOM 43 N LEU 5 27.667 27.036 30.507
ATOM 44 H LEU 5 28.649 27.181 30.614
ATOM 45 CA LEU 5 26.819 28.192 30.670
ATOM 46 CB LEU 5 27.040 28.941 32.011
ATOM 47 CG LEU 5 26.144 30.184 32.251
ATOM 48 CD1 LEU 5 24.648 29.829 32.313
ATOM 49 CD2 LEU 5 26.602 30.975 33.482
ATOM 50 C LEU 5 27.077 29.110 29.488
ATOM 51 O LEU 5 28.087 29.818 29.464
ATOM 52 N PRO 6 26.157 29.166 28.523
ATOM 53 CA PRO 6 26.271 29.962 27.317
ATOM 54 CB PRO 6 25.094 29.547 26.431
ATOM 55 CG PRO 6 24.044 29.002 27.409
ATOM 56 CD PRO 6 24.880 28.449 28.568
ATOM 57 C PRO 6 26.329 31.457 27.479
ATOM 58 O PRO 6 26.717 32.115 26.510
ATOM 59 N TYR 7 25.869 32.006 28.626
ATOM 60 H TYR 7 25.520 31.455 29.379
ATOM 61 CA TYR 7 25.848 33.432 28.822
ATOM 62 CB TYR 7 24.576 33.923 29.550
ATOM 63 CG TYR 7 23.369 33.664 28.712
ATOM 64 CD1 TYR 7 22.524 32.584 28.993
ATOM 65 CE1 TYR 7 21.393 32.347 28.207
ATOM 66 CZ TYR 7 21.100 33.192 27.133
ATOM 67 OH TYR 7 19.959 32.963 26.334
ATOM 68 HH TYR 7 19.492 32.202 26.692
ATOM 69 CE2 TYR 7 21.939 34.271 26.846
ATOM 70 CD2 TYR 7 23.068 34.504 27.633
ATOM 71 C TYR 7 27.000 33.960 29.629
ATOM 72 O TYR 7 27.418 35.101 29.428
ATOM 73 N GLY 8 27.579 33.126 30.519
ATOM 74 H GLY 8 27.275 32.183 30.629
ATOM 75 CA GLY 8 28.648 33.538 31.388
ATOM 76 C GLY 8 30.016 33.147 30.953
ATOM 77 O GLY 8 30.902 33.088 31.802
ATOM 78 N VAL 9 30.228 32.903 29.639
ATOM 79 H VAL 9 29.486 32.997 28.980
ATOM 80 CA VAL 9 31.497 32.476 29.085
ATOM 81 CB VAL 9 31.386 32.204 27.583
ATOM 82 CG1 VAL 9 32.759 31.921 26.933
ATOM 83 CG2 VAL 9 30.403 31.040 27.361
ATOM 84 C VAL 9 32.579 33.500 29.374
ATOM 85 O VAL 9 33.685 33.118 29.752
ATOM 86 N ASN 10 32.255 34.813 29.282
ATOM 87 H ASN 10 31.338 35.094 29.011
ATOM 88 CA ASN 10 33.180 35.891 29.529
ATOM 89 CB ASN 10 32.618 37.278 29.143
ATOM 90 CG ASN 10 32.563 37.454 27.622
ATOM 91 OD1 ASN 10 33.223 36.783 26.829
ATOM 92 ND2 ASN 10 31.734 38.436 27.186
ATOM 93 1HD2 ASN 10 31.655 38.625 26.208
ATOM 94 2HD2 ASN 10 31.212 38.983 27.842
ATOM 95 C ASN 10 33.605 35.960 30.970
ATOM 96 O ASN 10 34.720 36.399 31.254
ATOM 97 N ARG 11 32.704 35.572 31.907
ATOM 98 H ARG 11 31.812 35.210 31.651
ATOM 99 CA ARG 11 32.967 35.578 33.324
ATOM 100 CB ARG 11 31.679 35.529 34.173
ATOM 101 CG ARG 11 30.836 36.807 34.126
ATOM 102 CD ARG 11 29.702 36.847 35.160
ATOM 103 NE ARG 11 28.658 35.829 34.809
ATOM 104 HE ARG 11 28.724 34.920 35.220
ATOM 105 CZ ARG 11 27.613 36.096 33.961
ATOM 106 NH1 ARG 11 27.466 37.310 33.351
ATOM 107 1HH1 ARG 11 28.128 38.039 33.520
ATOM 108 2HH1 ARG 11 26.697 37.475 32.735
ATOM 109 NH2 ARG 11 26.692 35.119 33.721
ATOM 110 1HH2 ARG 11 26.773 34.230 34.171
ATOM 111 2HH2 ARG 11 25.919 35.299 33.114
ATOM 112 C ARG 11 33.805 34.401 33.741
ATOM 113 O ARG 11 34.748 34.567 34.516
ATOM 114 N PHE 12 33.477 33.190 33.221
ATOM 115 H PHE 12 32.725 33.098 32.574
ATOM 116 CA PHE 12 34.165 31.959 33.531
ATOM 117 CB PHE 12 33.392 30.694 33.110
ATOM 118 CG PHE 12 32.333 30.394 34.123
ATOM 119 CD1 PHE 12 30.989 30.679 33.862
ATOM 120 CE1 PHE 12 30.003 30.397 34.811
ATOM 121 CZ PHE 12 30.354 29.822 36.033
ATOM 122 CE2 PHE 12 31.690 29.531 36.305
ATOM 123 CD2 PHE 12 32.673 29.816 35.353
ATOM 124 C PHE 12 35.541 31.893 32.944
ATOM 125 O PHE 12 36.442 31.331 33.567
ATOM 126 N HIS 13 35.716 32.437 31.721
ATOM 127 H HIS 13 34.965 32.872 31.232
ATOM 128 CA HIS 13 36.982 32.471 31.052
ATOM 129 CB HIS 13 37.069 31.485 29.864
ATOM 130 CG HIS 13 38.417 30.835 29.767
ATOM 131 ND1 HIS 13 39.553 31.469 29.311
ATOM 132 CE1 HIS 13 40.563 30.567 29.389
ATOM 133 NE2 HIS 13 40.159 29.402 29.861
ATOM 134 CD2 HIS 13 38.806 29.572 30.098
ATOM 135 C HIS 13 37.118 33.925 30.575
ATOM 136 O HIS 13 37.218 34.796 31.477
ATOM 137 OXT HIS 13 37.108 34.210 29.347
TER
END
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elNémo
is maintained by Yves-Henri Sanejouand.
It was developed
by Karsten Suhre.
Between 2003 and 2014, it was hosted by IGS (Marseille).
Between 2015 and 2025, it was hosted by US2B (Nantes).
Last modification: december 26th, 2025.
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