RFdiffusion3 / examples /enzyme_design /M0255_1mg5.pdb
gabboud's picture
longer explanation and rfd3 examples
78f0c3d
ATOM 1 N ASN A 108 -1.831 7.586 -0.524 1.00 0.00 N
ATOM 2 CA ASN A 108 -0.780 6.606 -0.253 1.00 0.00 C
ATOM 3 C ASN A 108 0.647 7.109 -0.280 1.00 0.00 C
ATOM 4 O ASN A 108 1.473 6.539 0.468 1.00 0.00 O
ATOM 5 CB ASN A 108 -0.920 5.444 -1.253 1.00 0.00 C
ATOM 6 CG ASN A 108 -2.233 4.691 -1.107 1.00 0.00 C
ATOM 7 OD1 ASN A 108 -3.148 5.078 -0.370 1.00 0.00 O
ATOM 8 ND2 ASN A 108 -2.305 3.590 -1.857 1.00 0.00 N
ATOM 9 N SER A 139 3.804 -1.941 2.086 1.00 0.00 N
ATOM 10 CA SER A 139 3.101 -3.100 1.550 1.00 0.00 C
ATOM 11 C SER A 139 4.107 -3.984 0.833 1.00 0.00 C
ATOM 12 O SER A 139 5.004 -3.450 0.203 1.00 0.00 O
ATOM 13 CB SER A 139 2.044 -2.691 0.531 1.00 0.00 C
ATOM 14 OG SER A 139 1.484 -3.732 -0.218 1.00 0.00 O
ATOM 15 N TYR A 152 -1.872 1.622 -7.348 1.00 0.00 N
ATOM 16 CA TYR A 152 -1.625 1.343 -5.934 1.00 0.00 C
ATOM 17 C TYR A 152 -0.247 0.774 -5.657 1.00 0.00 C
ATOM 18 O TYR A 152 0.484 1.228 -4.775 1.00 0.00 O
ATOM 19 CB TYR A 152 -2.637 0.280 -5.478 1.00 0.00 C
ATOM 20 CG TYR A 152 -2.473 -0.171 -4.039 1.00 0.00 C
ATOM 21 CD1 TYR A 152 -3.089 0.512 -3.001 1.00 0.00 C
ATOM 22 CD2 TYR A 152 -1.724 -1.316 -3.768 1.00 0.00 C
ATOM 23 CE1 TYR A 152 -2.960 0.051 -1.703 1.00 0.00 C
ATOM 24 CE2 TYR A 152 -1.571 -1.771 -2.464 1.00 0.00 C
ATOM 25 CZ TYR A 152 -2.212 -1.084 -1.454 1.00 0.00 C
ATOM 26 OH TYR A 152 -2.067 -1.548 -0.160 1.00 0.00 O
ATOM 27 N LYS A 156 3.015 2.216 -3.293 1.00 0.00 N
ATOM 28 CA LYS A 156 3.713 1.519 -2.209 1.00 0.00 C
ATOM 29 C LYS A 156 5.191 1.353 -2.484 1.00 0.00 C
ATOM 30 O LYS A 156 5.993 1.390 -1.552 1.00 0.00 O
ATOM 31 CB LYS A 156 2.995 0.192 -1.901 1.00 0.00 C
ATOM 32 CG LYS A 156 1.571 0.490 -1.401 1.00 0.00 C
ATOM 33 CD LYS A 156 1.592 1.225 -0.059 1.00 0.00 C
ATOM 34 CE LYS A 156 0.284 1.017 0.701 1.00 0.00 C
ATOM 35 NZ LYS A 156 0.308 1.634 2.071 1.00 0.00 N
HETATM 36 C ACT A 900 -2.009 -5.026 -0.330 1.00 0.00 C
HETATM 37 O ACT A 900 -3.161 -5.482 -0.238 1.00 0.00 O
HETATM 38 OXT ACT A 900 -1.498 -3.916 -0.167 1.00 0.00 O
HETATM 39 CH3 ACT A 900 -0.878 -6.037 -0.668 1.00 0.00 C
HETATM 40 PA NAI A 850 -8.581 -0.242 5.750 1.00 0.00 P
HETATM 41 O1A NAI A 850 -9.349 0.231 4.569 1.00 0.00 O
HETATM 42 O2A NAI A 850 -9.389 -0.894 6.798 1.00 0.00 O
HETATM 43 O5B NAI A 850 -7.799 0.917 6.493 1.00 0.00 O
HETATM 44 C5B NAI A 850 -7.313 2.070 5.708 1.00 0.00 C
HETATM 45 C4B NAI A 850 -6.898 3.056 6.802 1.00 0.00 C
HETATM 46 O4B NAI A 850 -6.401 4.245 6.129 1.00 0.00 O
HETATM 47 C3B NAI A 850 -8.094 3.539 7.652 1.00 0.00 C
HETATM 48 O3B NAI A 850 -7.604 3.961 8.901 1.00 0.00 O
HETATM 49 C2B NAI A 850 -8.579 4.728 6.821 1.00 0.00 C
HETATM 50 O2B NAI A 850 -9.526 5.601 7.420 1.00 0.00 O
HETATM 51 C1B NAI A 850 -7.190 5.345 6.529 1.00 0.00 C
HETATM 52 N9A NAI A 850 -7.314 6.329 5.448 1.00 0.00 N
HETATM 53 C8A NAI A 850 -7.716 6.164 4.155 1.00 0.00 C
HETATM 54 N7A NAI A 850 -7.786 7.335 3.495 1.00 0.00 N
HETATM 55 C5A NAI A 850 -7.419 8.264 4.430 1.00 0.00 C
HETATM 56 C6A NAI A 850 -7.287 9.675 4.365 1.00 0.00 C
HETATM 57 N6A NAI A 850 -7.538 10.349 3.250 1.00 0.00 N
HETATM 58 N1A NAI A 850 -6.894 10.297 5.502 1.00 0.00 N
HETATM 59 C2A NAI A 850 -6.651 9.586 6.641 1.00 0.00 C
HETATM 60 N3A NAI A 850 -6.754 8.287 6.785 1.00 0.00 N
HETATM 61 C4A NAI A 850 -7.149 7.684 5.648 1.00 0.00 C
HETATM 62 O3 NAI A 850 -7.419 -1.192 5.193 1.00 0.00 O
HETATM 63 PN NAI A 850 -6.176 -1.843 5.931 1.00 0.00 P
HETATM 64 O1N NAI A 850 -6.023 -3.207 5.371 1.00 0.00 O
HETATM 65 O2N NAI A 850 -6.343 -1.771 7.392 1.00 0.00 O
HETATM 66 O5D NAI A 850 -5.025 -0.855 5.391 1.00 0.00 O
HETATM 67 C5D NAI A 850 -4.162 -0.186 6.319 1.00 0.00 C
HETATM 68 C4D NAI A 850 -2.841 0.114 5.628 1.00 0.00 C
HETATM 69 O4D NAI A 850 -2.207 -1.160 5.349 1.00 0.00 O
HETATM 70 C3D NAI A 850 -2.908 0.884 4.318 1.00 0.00 C
HETATM 71 O3D NAI A 850 -1.790 1.777 4.166 1.00 0.00 O
HETATM 72 C2D NAI A 850 -2.850 -0.259 3.297 1.00 0.00 C
HETATM 73 O2D NAI A 850 -2.325 0.228 2.053 1.00 0.00 O
HETATM 74 C1D NAI A 850 -1.819 -1.161 3.979 1.00 0.00 C
HETATM 75 N1N NAI A 850 -1.764 -2.545 3.526 1.00 0.00 N
HETATM 76 C2N NAI A 850 -2.829 -3.361 3.692 1.00 0.00 C
HETATM 77 C3N NAI A 850 -2.748 -4.639 3.198 1.00 0.00 C
HETATM 78 C7N NAI A 850 -3.902 -5.686 3.210 1.00 0.00 C
HETATM 79 O7N NAI A 850 -3.783 -6.723 2.547 1.00 0.00 O
HETATM 80 N7N NAI A 850 -4.953 -5.396 3.996 1.00 0.00 N
HETATM 81 C4N NAI A 850 -1.505 -5.269 2.901 1.00 0.00 C
HETATM 82 C5N NAI A 850 -0.460 -4.325 2.716 1.00 0.00 C
HETATM 83 C6N NAI A 850 -0.484 -3.023 3.140 1.00 0.00 C
HETATM 84 ORI ORI C 901 0.000 0.000 0.000 1.00 0.00 X