Browse entries in the PDBbind-CN Database
HEADER 2RLY_COMPLEX COMPND 2RLY_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 W 37 GLY ALA THR ALA VAL SER GLU TRP THR GLU TYR LYS THR SEQRES 2 W 37 ALA ASP GLY LYS THR TYR TYR TYR ASN ASN ARG THR LEU SEQRES 3 W 37 GLU SER THR TRP GLU LYS PRO GLN GLU LEU LYS HET PRO A 38 120 ATOM 1 N GLY W 1 -4.183 -24.715 -1.641 1.00 0.00 N ATOM 2 CA GLY W 1 -5.091 -23.569 -1.422 1.00 0.00 C ATOM 3 C GLY W 1 -4.637 -22.340 -2.176 1.00 0.00 C ATOM 4 O GLY W 1 -3.451 -22.192 -2.479 1.00 0.00 O ATOM 5 HA3 GLY W 1 -5.119 -23.339 -0.357 1.00 0.00 H ATOM 6 HA2 GLY W 1 -6.091 -23.841 -1.760 1.00 0.00 H ATOM 7 HN3 GLY W 1 -3.227 -24.466 -1.315 1.00 0.00 H ATOM 8 HN2 GLY W 1 -4.156 -24.945 -2.655 1.00 0.00 H ATOM 9 HN1 GLY W 1 -4.530 -25.537 -1.107 1.00 0.00 H ATOM 10 N ALA W 2 -5.574 -21.459 -2.477 1.00 0.00 N ATOM 11 CA ALA W 2 -5.279 -20.263 -3.248 1.00 0.00 C ATOM 12 C ALA W 2 -4.827 -19.124 -2.346 1.00 0.00 C ATOM 13 O ALA W 2 -5.257 -19.023 -1.196 1.00 0.00 O ATOM 14 CB ALA W 2 -6.502 -19.850 -4.055 1.00 0.00 C ATOM 15 HA ALA W 2 -4.461 -20.490 -3.932 1.00 0.00 H ATOM 16 HB1 ALA W 2 -6.777 -20.657 -4.734 1.00 0.00 H ATOM 17 HB2 ALA W 2 -7.331 -19.646 -3.377 1.00 0.00 H ATOM 18 HB3 ALA W 2 -6.271 -18.953 -4.629 1.00 0.00 H ATOM 19 H ALA W 2 -6.548 -21.626 -2.154 1.00 0.00 H ATOM 20 N THR W 3 -3.947 -18.280 -2.864 1.00 0.00 N ATOM 21 CA THR W 3 -3.479 -17.121 -2.119 1.00 0.00 C ATOM 22 C THR W 3 -4.251 -15.879 -2.541 1.00 0.00 C ATOM 23 O THR W 3 -4.159 -15.441 -3.692 1.00 0.00 O ATOM 24 CB THR W 3 -1.972 -16.895 -2.340 1.00 0.00 C ATOM 25 OG1 THR W 3 -1.280 -18.140 -2.190 1.00 0.00 O ATOM 26 CG2 THR W 3 -1.420 -15.878 -1.346 1.00 0.00 C ATOM 27 HA THR W 3 -3.649 -17.310 -1.059 1.00 0.00 H ATOM 28 HB THR W 3 -1.822 -16.504 -3.347 1.00 0.00 H ATOM 29 HG1 THR W 3 -0.311 -17.997 -2.332 1.00 0.00 H ATOM 30 HG23 THR W 3 -1.949 -14.932 -1.464 1.00 0.00 H ATOM 31 HG21 THR W 3 -1.560 -16.251 -0.331 1.00 0.00 H ATOM 32 HG22 THR W 3 -0.357 -15.727 -1.535 1.00 0.00 H ATOM 33 H THR W 3 -3.583 -18.449 -3.823 1.00 0.00 H ATOM 34 N ALA W 4 -5.001 -15.312 -1.599 1.00 0.00 N ATOM 35 CA ALA W 4 -5.891 -14.189 -1.880 1.00 0.00 C ATOM 36 C ALA W 4 -5.124 -12.929 -2.270 1.00 0.00 C ATOM 37 O ALA W 4 -3.903 -12.847 -2.115 1.00 0.00 O ATOM 38 CB ALA W 4 -6.779 -13.908 -0.670 1.00 0.00 C ATOM 39 HA ALA W 4 -6.511 -14.470 -2.732 1.00 0.00 H ATOM 40 HB1 ALA W 4 -7.377 -14.792 -0.446 1.00 0.00 H ATOM 41 HB2 ALA W 4 -6.154 -13.664 0.189 1.00 0.00 H ATOM 42 HB3 ALA W 4 -7.438 -13.069 -0.892 1.00 0.00 H ATOM 43 H ALA W 4 -4.951 -15.682 -0.628 1.00 0.00 H ATOM 44 N VAL W 5 -5.854 -11.956 -2.801 1.00 0.00 N ATOM 45 CA VAL W 5 -5.301 -10.647 -3.094 1.00 0.00 C ATOM 46 C VAL W 5 -5.959 -9.606 -2.187 1.00 0.00 C ATOM 47 O VAL W 5 -7.124 -9.239 -2.355 1.00 0.00 O ATOM 48 CB VAL W 5 -5.453 -10.274 -4.591 1.00 0.00 C ATOM 49 CG1 VAL W 5 -6.901 -10.392 -5.058 1.00 0.00 C ATOM 50 CG2 VAL W 5 -4.893 -8.881 -4.859 1.00 0.00 C ATOM 51 HA VAL W 5 -4.230 -10.669 -2.893 1.00 0.00 H ATOM 52 HB VAL W 5 -4.872 -10.990 -5.173 1.00 0.00 H ATOM 53 HG11 VAL W 5 -7.242 -11.418 -4.923 1.00 0.00 H ATOM 54 HG12 VAL W 5 -7.527 -9.720 -4.471 1.00 0.00 H ATOM 55 HG13 VAL W 5 -6.965 -10.122 -6.112 1.00 0.00 H ATOM 56 HG21 VAL W 5 -5.434 -8.151 -4.257 1.00 0.00 H ATOM 57 HG22 VAL W 5 -3.836 -8.859 -4.595 1.00 0.00 H ATOM 58 HG23 VAL W 5 -5.010 -8.641 -5.916 1.00 0.00 H ATOM 59 H VAL W 5 -6.856 -12.138 -3.014 1.00 0.00 H ATOM 60 N SER W 6 -5.216 -9.183 -1.179 1.00 0.00 N ATOM 61 CA SER W 6 -5.730 -8.276 -0.171 1.00 0.00 C ATOM 62 C SER W 6 -5.725 -6.836 -0.625 1.00 0.00 C ATOM 63 O SER W 6 -5.544 -6.535 -1.808 1.00 0.00 O ATOM 64 CB SER W 6 -4.951 -8.455 1.127 1.00 0.00 C ATOM 65 OG SER W 6 -5.119 -9.765 1.636 1.00 0.00 O ATOM 66 HA SER W 6 -6.776 -8.530 0.003 1.00 0.00 H ATOM 67 HB2 SER W 6 -5.311 -7.736 1.863 1.00 0.00 H ATOM 68 HB3 SER W 6 -3.892 -8.278 0.936 1.00 0.00 H ATOM 69 HG SER W 6 -4.789 -10.421 0.972 1.00 0.00 H ATOM 70 H SER W 6 -4.232 -9.511 -1.106 1.00 0.00 H ATOM 71 N GLU W 7 -5.940 -5.955 0.326 1.00 0.00 N ATOM 72 CA GLU W 7 -6.062 -4.554 0.041 1.00 0.00 C ATOM 73 C GLU W 7 -4.684 -3.990 -0.138 1.00 0.00 C ATOM 74 O GLU W 7 -3.949 -3.811 0.836 1.00 0.00 O ATOM 75 CB GLU W 7 -6.739 -3.842 1.205 1.00 0.00 C ATOM 76 CG GLU W 7 -7.933 -4.584 1.770 1.00 0.00 C ATOM 77 CD GLU W 7 -9.247 -4.081 1.231 1.00 0.00 C ATOM 78 OE1 GLU W 7 -9.761 -3.073 1.760 1.00 0.00 O ATOM 79 OE2 GLU W 7 -9.788 -4.708 0.303 1.00 0.00 O ATOM 80 HA GLU W 7 -6.659 -4.412 -0.860 1.00 0.00 H ATOM 81 HB2 GLU W 7 -6.006 -3.714 2.002 1.00 0.00 H ATOM 82 HB3 GLU W 7 -7.074 -2.864 0.861 1.00 0.00 H ATOM 83 HG2 GLU W 7 -7.836 -5.640 1.520 1.00 0.00 H ATOM 84 HG3 GLU W 7 -7.934 -4.467 2.854 1.00 0.00 H ATOM 85 H GLU W 7 -6.024 -6.281 1.310 1.00 0.00 H ATOM 86 N TRP W 8 -4.366 -3.651 -1.369 1.00 0.00 N ATOM 87 CA TRP W 8 -3.017 -3.225 -1.710 1.00 0.00 C ATOM 88 C TRP W 8 -3.075 -1.853 -2.350 1.00 0.00 C ATOM 89 O TRP W 8 -3.404 -1.698 -3.526 1.00 0.00 O ATOM 90 CB TRP W 8 -2.339 -4.191 -2.714 1.00 0.00 C ATOM 91 CG TRP W 8 -2.270 -5.630 -2.284 1.00 0.00 C ATOM 92 CD1 TRP W 8 -2.442 -6.738 -3.065 1.00 0.00 C ATOM 93 CD2 TRP W 8 -2.034 -6.107 -0.974 1.00 0.00 C ATOM 94 NE1 TRP W 8 -2.321 -7.875 -2.304 1.00 0.00 N ATOM 95 CE2 TRP W 8 -2.083 -7.509 -1.009 1.00 0.00 C ATOM 96 CE3 TRP W 8 -1.795 -5.479 0.224 1.00 0.00 C ATOM 97 CZ2 TRP W 8 -1.901 -8.279 0.135 1.00 0.00 C ATOM 98 CZ3 TRP W 8 -1.630 -6.237 1.348 1.00 0.00 C ATOM 99 CH2 TRP W 8 -1.683 -7.622 1.306 1.00 0.00 C ATOM 100 HA TRP W 8 -2.435 -3.213 -0.788 1.00 0.00 H ATOM 101 HB2 TRP W 8 -2.895 -4.147 -3.650 1.00 0.00 H ATOM 102 HB3 TRP W 8 -1.320 -3.841 -2.881 1.00 0.00 H ATOM 103 HE1 TRP W 8 -2.398 -8.851 -2.655 1.00 0.00 H ATOM 104 HD1 TRP W 8 -2.646 -6.722 -4.136 1.00 0.00 H ATOM 105 HZ2 TRP W 8 -1.932 -9.368 0.095 1.00 0.00 H ATOM 106 HH2 TRP W 8 -1.548 -8.193 2.225 1.00 0.00 H ATOM 107 HZ3 TRP W 8 -1.452 -5.741 2.302 1.00 0.00 H ATOM 108 HE3 TRP W 8 -1.738 -4.392 0.277 1.00 0.00 H ATOM 109 H TRP W 8 -5.092 -3.688 -2.112 1.00 0.00 H ATOM 110 N THR W 9 -2.788 -0.859 -1.525 1.00 0.00 N ATOM 111 CA THR W 9 -2.771 0.523 -1.955 1.00 0.00 C ATOM 112 C THR W 9 -1.353 0.947 -2.257 1.00 0.00 C ATOM 113 O THR W 9 -0.402 0.442 -1.663 1.00 0.00 O ATOM 114 CB THR W 9 -3.297 1.460 -0.862 1.00 0.00 C ATOM 115 OG1 THR W 9 -4.364 0.832 -0.129 1.00 0.00 O ATOM 116 CG2 THR W 9 -3.773 2.785 -1.441 1.00 0.00 C ATOM 117 HA THR W 9 -3.407 0.591 -2.838 1.00 0.00 H ATOM 118 HB THR W 9 -2.470 1.666 -0.183 1.00 0.00 H ATOM 119 HG1 THR W 9 -4.029 0.002 0.293 1.00 0.00 H ATOM 120 HG23 THR W 9 -2.958 3.252 -1.994 1.00 0.00 H ATOM 121 HG21 THR W 9 -4.613 2.606 -2.112 1.00 0.00 H ATOM 122 HG22 THR W 9 -4.087 3.442 -0.630 1.00 0.00 H ATOM 123 H THR W 9 -2.567 -1.078 -0.533 1.00 0.00 H ATOM 124 N GLU W 10 -1.232 1.878 -3.159 1.00 0.00 N ATOM 125 CA GLU W 10 0.045 2.431 -3.538 1.00 0.00 C ATOM 126 C GLU W 10 0.123 3.885 -3.077 1.00 0.00 C ATOM 127 O GLU W 10 -0.762 4.685 -3.377 1.00 0.00 O ATOM 128 CB GLU W 10 0.214 2.293 -5.055 1.00 0.00 C ATOM 129 CG GLU W 10 -0.852 3.014 -5.864 1.00 0.00 C ATOM 130 CD GLU W 10 -0.990 2.452 -7.262 1.00 0.00 C ATOM 131 OE1 GLU W 10 -0.108 2.710 -8.111 1.00 0.00 O ATOM 132 OE2 GLU W 10 -1.973 1.723 -7.516 1.00 0.00 O ATOM 133 HA GLU W 10 0.862 1.891 -3.058 1.00 0.00 H ATOM 134 HB2 GLU W 10 1.187 2.700 -5.330 1.00 0.00 H ATOM 135 HB3 GLU W 10 0.179 1.234 -5.309 1.00 0.00 H ATOM 136 HG2 GLU W 10 -1.808 2.916 -5.350 1.00 0.00 H ATOM 137 HG3 GLU W 10 -0.585 4.069 -5.935 1.00 0.00 H ATOM 138 H GLU W 10 -2.090 2.237 -3.625 1.00 0.00 H ATOM 139 N TYR W 11 1.145 4.222 -2.306 1.00 0.00 N ATOM 140 CA TYR W 11 1.274 5.578 -1.811 1.00 0.00 C ATOM 141 C TYR W 11 2.612 6.190 -2.184 1.00 0.00 C ATOM 142 O TYR W 11 3.673 5.620 -1.920 1.00 0.00 O ATOM 143 CB TYR W 11 1.033 5.646 -0.299 1.00 0.00 C ATOM 144 CG TYR W 11 -0.393 6.026 0.029 1.00 0.00 C ATOM 145 CD1 TYR W 11 -0.781 7.355 0.003 1.00 0.00 C ATOM 146 CD2 TYR W 11 -1.365 5.069 0.303 1.00 0.00 C ATOM 147 CE1 TYR W 11 -2.080 7.723 0.226 1.00 0.00 C ATOM 148 CE2 TYR W 11 -2.672 5.436 0.545 1.00 0.00 C ATOM 149 CZ TYR W 11 -3.029 6.766 0.498 1.00 0.00 C ATOM 150 OH TYR W 11 -4.337 7.139 0.718 1.00 0.00 O ATOM 151 HA TYR W 11 0.500 6.172 -2.297 1.00 0.00 H ATOM 152 HB3 TYR W 11 1.704 6.389 0.132 1.00 0.00 H ATOM 153 HB2 TYR W 11 1.247 4.670 0.136 1.00 0.00 H ATOM 154 HD2 TYR W 11 -1.090 4.015 0.327 1.00 0.00 H ATOM 155 HE2 TYR W 11 -3.420 4.677 0.773 1.00 0.00 H ATOM 156 HE1 TYR W 11 -2.362 8.775 0.188 1.00 0.00 H ATOM 157 HD1 TYR W 11 -0.036 8.124 -0.199 1.00 0.00 H ATOM 158 HH TYR W 11 -4.415 8.123 0.647 1.00 0.00 H ATOM 159 H TYR W 11 1.859 3.510 -2.054 1.00 0.00 H ATOM 160 N LYS W 12 2.533 7.358 -2.809 1.00 0.00 N ATOM 161 CA LYS W 12 3.700 8.101 -3.233 1.00 0.00 C ATOM 162 C LYS W 12 4.170 8.987 -2.091 1.00 0.00 C ATOM 163 O LYS W 12 3.474 9.917 -1.679 1.00 0.00 O ATOM 164 CB LYS W 12 3.352 8.949 -4.460 1.00 0.00 C ATOM 165 CG LYS W 12 4.482 9.834 -4.950 1.00 0.00 C ATOM 166 CD LYS W 12 5.638 9.032 -5.530 1.00 0.00 C ATOM 167 CE LYS W 12 6.697 9.949 -6.120 1.00 0.00 C ATOM 168 NZ LYS W 12 6.147 10.794 -7.212 1.00 0.00 N ATOM 169 HA LYS W 12 4.501 7.412 -3.502 1.00 0.00 H ATOM 170 HB2 LYS W 12 3.069 8.277 -5.270 1.00 0.00 H ATOM 171 HB3 LYS W 12 2.505 9.586 -4.205 1.00 0.00 H ATOM 172 HG2 LYS W 12 4.096 10.500 -5.722 1.00 0.00 H ATOM 173 HG3 LYS W 12 4.852 10.426 -4.113 1.00 0.00 H ATOM 174 HD2 LYS W 12 6.087 8.431 -4.739 1.00 0.00 H ATOM 175 HD3 LYS W 12 5.259 8.375 -6.313 1.00 0.00 H ATOM 176 HE2 LYS W 12 7.509 9.341 -6.519 1.00 0.00 H ATOM 177 HE3 LYS W 12 7.083 10.596 -5.332 1.00 0.00 H ATOM 178 HZ1 LYS W 12 5.782 10.184 -7.971 1.00 0.00 H ATOM 179 HZ2 LYS W 12 5.375 11.383 -6.838 1.00 0.00 H ATOM 180 HZ3 LYS W 12 6.900 11.405 -7.588 1.00 0.00 H ATOM 181 H LYS W 12 1.592 7.756 -3.002 1.00 0.00 H ATOM 182 N THR W 13 5.341 8.672 -1.572 1.00 0.00 N ATOM 183 CA THR W 13 5.867 9.332 -0.395 1.00 0.00 C ATOM 184 C THR W 13 6.747 10.520 -0.763 1.00 0.00 C ATOM 185 O THR W 13 7.157 10.671 -1.919 1.00 0.00 O ATOM 186 CB THR W 13 6.670 8.322 0.448 1.00 0.00 C ATOM 187 OG1 THR W 13 7.782 7.809 -0.306 1.00 0.00 O ATOM 188 CG2 THR W 13 5.781 7.163 0.868 1.00 0.00 C ATOM 189 HA THR W 13 5.026 9.711 0.185 1.00 0.00 H ATOM 190 HB THR W 13 7.041 8.839 1.333 1.00 0.00 H ATOM 191 HG1 THR W 13 7.446 7.355 -1.119 1.00 0.00 H ATOM 192 HG23 THR W 13 4.935 7.544 1.440 1.00 0.00 H ATOM 193 HG21 THR W 13 5.417 6.646 -0.020 1.00 0.00 H ATOM 194 HG22 THR W 13 6.355 6.471 1.483 1.00 0.00 H ATOM 195 H THR W 13 5.906 7.924 -2.023 1.00 0.00 H ATOM 196 N ALA W 14 7.033 11.363 0.225 1.00 0.00 N ATOM 197 CA ALA W 14 7.917 12.505 0.036 1.00 0.00 C ATOM 198 C ALA W 14 9.354 12.029 -0.150 1.00 0.00 C ATOM 199 O ALA W 14 10.209 12.757 -0.656 1.00 0.00 O ATOM 200 CB ALA W 14 7.816 13.468 1.213 1.00 0.00 C ATOM 201 HA ALA W 14 7.607 13.040 -0.862 1.00 0.00 H ATOM 202 HB1 ALA W 14 6.791 13.827 1.300 1.00 0.00 H ATOM 203 HB2 ALA W 14 8.100 12.951 2.129 1.00 0.00 H ATOM 204 HB3 ALA W 14 8.485 14.312 1.048 1.00 0.00 H ATOM 205 H ALA W 14 6.612 11.202 1.162 1.00 0.00 H ATOM 206 N ASP W 15 9.600 10.787 0.254 1.00 0.00 N ATOM 207 CA ASP W 15 10.895 10.138 0.041 1.00 0.00 C ATOM 208 C ASP W 15 11.053 9.786 -1.442 1.00 0.00 C ATOM 209 O ASP W 15 12.138 9.441 -1.914 1.00 0.00 O ATOM 210 CB ASP W 15 10.989 8.867 0.897 1.00 0.00 C ATOM 211 CG ASP W 15 12.405 8.331 1.033 1.00 0.00 C ATOM 212 OD1 ASP W 15 12.860 7.576 0.146 1.00 0.00 O ATOM 213 OD2 ASP W 15 13.060 8.640 2.051 1.00 0.00 O ATOM 214 HA ASP W 15 11.694 10.819 0.335 1.00 0.00 H ATOM 215 HB2 ASP W 15 10.608 9.093 1.893 1.00 0.00 H ATOM 216 HB3 ASP W 15 10.370 8.095 0.439 1.00 0.00 H ATOM 217 H ASP W 15 8.847 10.258 0.738 1.00 0.00 H ATOM 218 N GLY W 16 9.948 9.889 -2.174 1.00 0.00 N ATOM 219 CA GLY W 16 9.951 9.575 -3.587 1.00 0.00 C ATOM 220 C GLY W 16 9.875 8.086 -3.832 1.00 0.00 C ATOM 221 O GLY W 16 10.422 7.581 -4.807 1.00 0.00 O ATOM 222 HA3 GLY W 16 10.869 9.960 -4.032 1.00 0.00 H ATOM 223 HA2 GLY W 16 9.092 10.054 -4.057 1.00 0.00 H ATOM 224 H GLY W 16 9.065 10.201 -1.723 1.00 0.00 H ATOM 225 N LYS W 17 9.198 7.383 -2.937 1.00 0.00 N ATOM 226 CA LYS W 17 9.081 5.939 -3.047 1.00 0.00 C ATOM 227 C LYS W 17 7.625 5.525 -3.174 1.00 0.00 C ATOM 228 O LYS W 17 6.727 6.202 -2.669 1.00 0.00 O ATOM 229 CB LYS W 17 9.702 5.251 -1.825 1.00 0.00 C ATOM 230 CG LYS W 17 11.164 5.599 -1.604 1.00 0.00 C ATOM 231 CD LYS W 17 12.003 5.256 -2.817 1.00 0.00 C ATOM 232 CE LYS W 17 13.477 5.571 -2.590 1.00 0.00 C ATOM 233 NZ LYS W 17 13.717 7.005 -2.267 1.00 0.00 N ATOM 234 HA LYS W 17 9.618 5.629 -3.943 1.00 0.00 H ATOM 235 HB2 LYS W 17 9.140 5.549 -0.940 1.00 0.00 H ATOM 236 HB3 LYS W 17 9.621 4.172 -1.959 1.00 0.00 H ATOM 237 HG2 LYS W 17 11.248 6.667 -1.405 1.00 0.00 H ATOM 238 HG3 LYS W 17 11.536 5.040 -0.745 1.00 0.00 H ATOM 239 HD2 LYS W 17 11.898 4.192 -3.031 1.00 0.00 H ATOM 240 HD3 LYS W 17 11.645 5.834 -3.669 1.00 0.00 H ATOM 241 HE2 LYS W 17 14.031 5.320 -3.495 1.00 0.00 H ATOM 242 HE3 LYS W 17 13.840 4.962 -1.762 1.00 0.00 H ATOM 243 HZ1 LYS W 17 13.382 7.597 -3.054 1.00 0.00 H ATOM 244 HZ2 LYS W 17 13.201 7.255 -1.400 1.00 0.00 H ATOM 245 HZ3 LYS W 17 14.735 7.161 -2.123 1.00 0.00 H ATOM 246 H LYS W 17 8.742 7.873 -2.141 1.00 0.00 H ATOM 247 N THR W 18 7.407 4.423 -3.867 1.00 0.00 N ATOM 248 CA THR W 18 6.089 3.823 -3.973 1.00 0.00 C ATOM 249 C THR W 18 5.967 2.677 -2.983 1.00 0.00 C ATOM 250 O THR W 18 6.494 1.591 -3.220 1.00 0.00 O ATOM 251 CB THR W 18 5.829 3.303 -5.406 1.00 0.00 C ATOM 252 OG1 THR W 18 5.829 4.400 -6.328 1.00 0.00 O ATOM 253 CG2 THR W 18 4.505 2.542 -5.501 1.00 0.00 C ATOM 254 HA THR W 18 5.346 4.587 -3.745 1.00 0.00 H ATOM 255 HB THR W 18 6.630 2.609 -5.660 1.00 0.00 H ATOM 256 HG1 THR W 18 5.662 4.061 -7.243 1.00 0.00 H ATOM 257 HG23 THR W 18 4.514 1.710 -4.797 1.00 0.00 H ATOM 258 HG21 THR W 18 3.682 3.215 -5.260 1.00 0.00 H ATOM 259 HG22 THR W 18 4.379 2.161 -6.514 1.00 0.00 H ATOM 260 H THR W 18 8.206 3.969 -4.354 1.00 0.00 H ATOM 261 N TYR W 19 5.313 2.926 -1.858 1.00 0.00 N ATOM 262 CA TYR W 19 5.104 1.871 -0.889 1.00 0.00 C ATOM 263 C TYR W 19 3.688 1.334 -1.017 1.00 0.00 C ATOM 264 O TYR W 19 2.800 2.000 -1.565 1.00 0.00 O ATOM 265 CB TYR W 19 5.410 2.343 0.556 1.00 0.00 C ATOM 266 CG TYR W 19 4.296 3.075 1.299 1.00 0.00 C ATOM 267 CD1 TYR W 19 3.184 2.398 1.796 1.00 0.00 C ATOM 268 CD2 TYR W 19 4.379 4.440 1.548 1.00 0.00 C ATOM 269 CE1 TYR W 19 2.201 3.059 2.497 1.00 0.00 C ATOM 270 CE2 TYR W 19 3.401 5.103 2.259 1.00 0.00 C ATOM 271 CZ TYR W 19 2.313 4.408 2.731 1.00 0.00 C ATOM 272 OH TYR W 19 1.337 5.056 3.446 1.00 0.00 O ATOM 273 HA TYR W 19 5.805 1.063 -1.101 1.00 0.00 H ATOM 274 HB3 TYR W 19 6.268 3.013 0.508 1.00 0.00 H ATOM 275 HB2 TYR W 19 5.671 1.461 1.141 1.00 0.00 H ATOM 276 HD2 TYR W 19 5.236 4.999 1.173 1.00 0.00 H ATOM 277 HE2 TYR W 19 3.490 6.173 2.446 1.00 0.00 H ATOM 278 HE1 TYR W 19 1.334 2.512 2.866 1.00 0.00 H ATOM 279 HD1 TYR W 19 3.091 1.325 1.627 1.00 0.00 H ATOM 280 HH TYR W 19 1.736 5.455 4.259 1.00 0.00 H ATOM 281 H TYR W 19 4.949 3.882 -1.671 1.00 0.00 H ATOM 282 N TYR W 20 3.490 0.141 -0.504 1.00 0.00 N ATOM 283 CA TYR W 20 2.200 -0.487 -0.467 1.00 0.00 C ATOM 284 C TYR W 20 1.720 -0.496 0.974 1.00 0.00 C ATOM 285 O TYR W 20 2.513 -0.602 1.909 1.00 0.00 O ATOM 286 CB TYR W 20 2.305 -1.925 -0.975 1.00 0.00 C ATOM 287 CG TYR W 20 2.878 -2.076 -2.366 1.00 0.00 C ATOM 288 CD1 TYR W 20 2.058 -2.030 -3.484 1.00 0.00 C ATOM 289 CD2 TYR W 20 4.240 -2.285 -2.559 1.00 0.00 C ATOM 290 CE1 TYR W 20 2.574 -2.184 -4.753 1.00 0.00 C ATOM 291 CE2 TYR W 20 4.763 -2.439 -3.823 1.00 0.00 C ATOM 292 CZ TYR W 20 3.929 -2.391 -4.917 1.00 0.00 C ATOM 293 OH TYR W 20 4.449 -2.551 -6.181 1.00 0.00 O ATOM 294 HA TYR W 20 1.501 0.059 -1.101 1.00 0.00 H ATOM 295 HB3 TYR W 20 1.304 -2.357 -0.973 1.00 0.00 H ATOM 296 HB2 TYR W 20 2.941 -2.481 -0.286 1.00 0.00 H ATOM 297 HD2 TYR W 20 4.904 -2.327 -1.695 1.00 0.00 H ATOM 298 HE2 TYR W 20 5.833 -2.598 -3.957 1.00 0.00 H ATOM 299 HE1 TYR W 20 1.916 -2.143 -5.621 1.00 0.00 H ATOM 300 HD1 TYR W 20 0.987 -1.869 -3.357 1.00 0.00 H ATOM 301 HH TYR W 20 3.719 -2.490 -6.847 1.00 0.00 H ATOM 302 H TYR W 20 4.304 -0.371 -0.107 1.00 0.00 H ATOM 303 N TYR W 21 0.442 -0.344 1.168 1.00 0.00 N ATOM 304 CA TYR W 21 -0.078 -0.309 2.513 1.00 0.00 C ATOM 305 C TYR W 21 -1.298 -1.201 2.609 1.00 0.00 C ATOM 306 O TYR W 21 -2.372 -0.882 2.089 1.00 0.00 O ATOM 307 CB TYR W 21 -0.381 1.128 2.917 1.00 0.00 C ATOM 308 CG TYR W 21 -0.215 1.419 4.398 1.00 0.00 C ATOM 309 CD1 TYR W 21 1.054 1.537 4.992 1.00 0.00 C ATOM 310 CD2 TYR W 21 -1.328 1.633 5.196 1.00 0.00 C ATOM 311 CE1 TYR W 21 1.185 1.848 6.331 1.00 0.00 C ATOM 312 CE2 TYR W 21 -1.197 1.954 6.530 1.00 0.00 C ATOM 313 CZ TYR W 21 0.057 2.060 7.096 1.00 0.00 C ATOM 314 OH TYR W 21 0.180 2.380 8.433 1.00 0.00 O ATOM 315 HA TYR W 21 0.667 -0.691 3.211 1.00 0.00 H ATOM 316 HB3 TYR W 21 -1.412 1.348 2.641 1.00 0.00 H ATOM 317 HB2 TYR W 21 0.290 1.785 2.364 1.00 0.00 H ATOM 318 HD2 TYR W 21 -2.324 1.546 4.761 1.00 0.00 H ATOM 319 HE2 TYR W 21 -2.085 2.124 7.139 1.00 0.00 H ATOM 320 HE1 TYR W 21 2.175 1.926 6.781 1.00 0.00 H ATOM 321 HD1 TYR W 21 1.947 1.381 4.387 1.00 0.00 H ATOM 322 HH TYR W 21 1.139 2.415 8.676 1.00 0.00 H ATOM 323 H TYR W 21 -0.202 -0.248 0.357 1.00 0.00 H ATOM 324 N ASN W 22 -1.086 -2.342 3.239 1.00 0.00 N ATOM 325 CA ASN W 22 -2.091 -3.376 3.369 1.00 0.00 C ATOM 326 C ASN W 22 -3.276 -2.858 4.152 1.00 0.00 C ATOM 327 O ASN W 22 -3.255 -2.858 5.380 1.00 0.00 O ATOM 328 CB ASN W 22 -1.549 -4.605 4.120 1.00 0.00 C ATOM 329 CG ASN W 22 -0.127 -5.013 3.746 1.00 0.00 C ATOM 330 OD1 ASN W 22 0.690 -4.192 3.356 1.00 0.00 O ATOM 331 ND2 ASN W 22 0.182 -6.296 3.887 1.00 0.00 N ATOM 332 HA ASN W 22 -2.381 -3.661 2.358 1.00 0.00 H ATOM 333 HB2 ASN W 22 -1.569 -4.385 5.187 1.00 0.00 H ATOM 334 HB3 ASN W 22 -2.209 -5.447 3.912 1.00 0.00 H ATOM 335 HD22 ASN W 22 -0.536 -6.970 4.221 1.00 0.00 H ATOM 336 HD21 ASN W 22 1.142 -6.627 3.663 1.00 0.00 H ATOM 337 H ASN W 22 -0.151 -2.506 3.663 1.00 0.00 H ATOM 338 N ASN W 23 -4.318 -2.440 3.466 1.00 0.00 N ATOM 339 CA ASN W 23 -5.529 -2.023 4.150 1.00 0.00 C ATOM 340 C ASN W 23 -6.242 -3.272 4.702 1.00 0.00 C ATOM 341 O ASN W 23 -7.301 -3.186 5.317 1.00 0.00 O ATOM 342 CB ASN W 23 -6.432 -1.221 3.195 1.00 0.00 C ATOM 343 CG ASN W 23 -7.617 -0.564 3.885 1.00 0.00 C ATOM 344 OD1 ASN W 23 -7.474 0.479 4.525 1.00 0.00 O ATOM 345 ND2 ASN W 23 -8.806 -1.130 3.714 1.00 0.00 N ATOM 346 HA ASN W 23 -5.284 -1.366 4.984 1.00 0.00 H ATOM 347 HB2 ASN W 23 -5.831 -0.442 2.725 1.00 0.00 H ATOM 348 HB3 ASN W 23 -6.811 -1.898 2.429 1.00 0.00 H ATOM 349 HD22 ASN W 23 -8.889 -2.011 3.167 1.00 0.00 H ATOM 350 HD21 ASN W 23 -9.654 -0.692 4.127 1.00 0.00 H ATOM 351 H ASN W 23 -4.274 -2.408 2.427 1.00 0.00 H ATOM 352 N ARG W 24 -5.613 -4.438 4.469 1.00 0.00 N ATOM 353 CA ARG W 24 -6.092 -5.726 4.976 1.00 0.00 C ATOM 354 C ARG W 24 -6.258 -5.689 6.501 1.00 0.00 C ATOM 355 O ARG W 24 -7.354 -5.483 7.014 1.00 0.00 O ATOM 356 CB ARG W 24 -5.121 -6.848 4.591 1.00 0.00 C ATOM 357 CG ARG W 24 -5.588 -8.230 5.030 1.00 0.00 C ATOM 358 CD ARG W 24 -4.560 -9.302 4.703 1.00 0.00 C ATOM 359 NE ARG W 24 -4.927 -10.608 5.241 1.00 0.00 N ATOM 360 CZ ARG W 24 -4.128 -11.679 5.208 1.00 0.00 C ATOM 361 NH1 ARG W 24 -2.966 -11.618 4.570 1.00 0.00 N ATOM 362 NH2 ARG W 24 -4.507 -12.820 5.771 1.00 0.00 N ATOM 363 HA ARG W 24 -7.064 -5.922 4.524 1.00 0.00 H ATOM 364 HB2 ARG W 24 -5.007 -6.850 3.507 1.00 0.00 H ATOM 365 HB3 ARG W 24 -4.156 -6.645 5.056 1.00 0.00 H ATOM 366 HG2 ARG W 24 -5.758 -8.220 6.107 1.00 0.00 H ATOM 367 HG3 ARG W 24 -6.521 -8.467 4.518 1.00 0.00 H ATOM 368 HD2 ARG W 24 -3.599 -9.007 5.125 1.00 0.00 H ATOM 369 HD3 ARG W 24 -4.470 -9.382 3.620 1.00 0.00 H ATOM 370 HE ARG W 24 -5.866 -10.712 5.676 1.00 0.00 H ATOM 371 HH12 ARG W 24 -2.343 -12.450 4.543 1.00 0.00 H ATOM 372 HH11 ARG W 24 -2.678 -10.738 4.097 1.00 0.00 H ATOM 373 HH22 ARG W 24 -3.879 -13.649 5.741 1.00 0.00 H ATOM 374 HH21 ARG W 24 -5.432 -12.885 6.242 1.00 0.00 H ATOM 375 H ARG W 24 -4.743 -4.424 3.900 1.00 0.00 H ATOM 376 N THR W 25 -5.152 -5.906 7.210 1.00 0.00 N ATOM 377 CA THR W 25 -5.126 -5.833 8.666 1.00 0.00 C ATOM 378 C THR W 25 -4.555 -4.497 9.132 1.00 0.00 C ATOM 379 O THR W 25 -4.103 -4.370 10.270 1.00 0.00 O ATOM 380 CB THR W 25 -4.278 -6.977 9.253 1.00 0.00 C ATOM 381 OG1 THR W 25 -3.012 -7.046 8.578 1.00 0.00 O ATOM 382 CG2 THR W 25 -4.999 -8.307 9.125 1.00 0.00 C ATOM 383 HA THR W 25 -6.153 -5.927 9.019 1.00 0.00 H ATOM 384 HB THR W 25 -4.115 -6.772 10.311 1.00 0.00 H ATOM 385 HG1 THR W 25 -2.474 -7.783 8.962 1.00 0.00 H ATOM 386 HG23 THR W 25 -5.959 -8.249 9.639 1.00 0.00 H ATOM 387 HG21 THR W 25 -5.163 -8.530 8.071 1.00 0.00 H ATOM 388 HG22 THR W 25 -4.392 -9.093 9.574 1.00 0.00 H ATOM 389 H THR W 25 -4.272 -6.137 6.705 1.00 0.00 H ATOM 390 N LEU W 26 -4.587 -3.510 8.239 1.00 0.00 N ATOM 391 CA LEU W 26 -3.897 -2.240 8.450 1.00 0.00 C ATOM 392 C LEU W 26 -2.398 -2.499 8.613 1.00 0.00 C ATOM 393 O LEU W 26 -1.749 -2.044 9.555 1.00 0.00 O ATOM 394 CB LEU W 26 -4.471 -1.477 9.649 1.00 0.00 C ATOM 395 CG LEU W 26 -4.050 -0.009 9.740 1.00 0.00 C ATOM 396 CD1 LEU W 26 -4.346 0.706 8.431 1.00 0.00 C ATOM 397 CD2 LEU W 26 -4.768 0.675 10.890 1.00 0.00 C ATOM 398 HA LEU W 26 -4.053 -1.606 7.577 1.00 0.00 H ATOM 399 HB2 LEU W 26 -5.558 -1.514 9.585 1.00 0.00 H ATOM 400 HB3 LEU W 26 -4.144 -1.980 10.559 1.00 0.00 H ATOM 401 HG LEU W 26 -2.977 0.035 9.926 1.00 0.00 H ATOM 402 HD21 LEU W 26 -5.844 0.622 10.727 1.00 0.00 H ATOM 403 HD22 LEU W 26 -4.516 0.173 11.824 1.00 0.00 H ATOM 404 HD23 LEU W 26 -4.458 1.719 10.941 1.00 0.00 H ATOM 405 HD11 LEU W 26 -3.794 0.226 7.623 1.00 0.00 H ATOM 406 HD12 LEU W 26 -5.415 0.654 8.223 1.00 0.00 H ATOM 407 HD13 LEU W 26 -4.041 1.749 8.511 1.00 0.00 H ATOM 408 H LEU W 26 -5.123 -3.648 7.359 1.00 0.00 H ATOM 409 N GLU W 27 -1.876 -3.235 7.652 1.00 0.00 N ATOM 410 CA GLU W 27 -0.477 -3.616 7.602 1.00 0.00 C ATOM 411 C GLU W 27 0.230 -2.721 6.593 1.00 0.00 C ATOM 412 O GLU W 27 -0.424 -2.039 5.807 1.00 0.00 O ATOM 413 CB GLU W 27 -0.367 -5.091 7.174 1.00 0.00 C ATOM 414 CG GLU W 27 1.055 -5.609 7.071 1.00 0.00 C ATOM 415 CD GLU W 27 1.821 -5.487 8.371 1.00 0.00 C ATOM 416 OE1 GLU W 27 2.363 -4.396 8.647 1.00 0.00 O ATOM 417 OE2 GLU W 27 1.883 -6.483 9.120 1.00 0.00 O ATOM 418 HA GLU W 27 -0.014 -3.500 8.582 1.00 0.00 H ATOM 419 HB2 GLU W 27 -0.900 -5.699 7.905 1.00 0.00 H ATOM 420 HB3 GLU W 27 -0.841 -5.200 6.199 1.00 0.00 H ATOM 421 HG2 GLU W 27 1.023 -6.660 6.783 1.00 0.00 H ATOM 422 HG3 GLU W 27 1.579 -5.039 6.303 1.00 0.00 H ATOM 423 H GLU W 27 -2.502 -3.560 6.888 1.00 0.00 H ATOM 424 N SER W 28 1.545 -2.683 6.624 1.00 0.00 N ATOM 425 CA SER W 28 2.279 -1.989 5.589 1.00 0.00 C ATOM 426 C SER W 28 3.110 -2.962 4.765 1.00 0.00 C ATOM 427 O SER W 28 3.455 -4.049 5.231 1.00 0.00 O ATOM 428 CB SER W 28 3.167 -0.907 6.188 1.00 0.00 C ATOM 429 OG SER W 28 4.057 -1.451 7.156 1.00 0.00 O ATOM 430 HA SER W 28 1.555 -1.513 4.928 1.00 0.00 H ATOM 431 HB2 SER W 28 2.539 -0.154 6.665 1.00 0.00 H ATOM 432 HB3 SER W 28 3.748 -0.442 5.392 1.00 0.00 H ATOM 433 HG SER W 28 4.621 -0.727 7.528 1.00 0.00 H ATOM 434 H SER W 28 2.059 -3.154 7.396 1.00 0.00 H ATOM 435 N THR W 29 3.425 -2.560 3.544 1.00 0.00 N ATOM 436 CA THR W 29 4.314 -3.309 2.683 1.00 0.00 C ATOM 437 C THR W 29 5.166 -2.360 1.859 1.00 0.00 C ATOM 438 O THR W 29 4.697 -1.711 0.942 1.00 0.00 O ATOM 439 CB THR W 29 3.547 -4.249 1.744 1.00 0.00 C ATOM 440 OG1 THR W 29 2.285 -3.682 1.383 1.00 0.00 O ATOM 441 CG2 THR W 29 3.325 -5.579 2.409 1.00 0.00 C ATOM 442 HA THR W 29 4.950 -3.918 3.326 1.00 0.00 H ATOM 443 HB THR W 29 4.143 -4.389 0.842 1.00 0.00 H ATOM 444 HG1 THR W 29 1.745 -3.534 2.200 1.00 0.00 H ATOM 445 HG23 THR W 29 4.287 -6.011 2.684 1.00 0.00 H ATOM 446 HG21 THR W 29 2.719 -5.440 3.304 1.00 0.00 H ATOM 447 HG22 THR W 29 2.809 -6.247 1.719 1.00 0.00 H ATOM 448 H THR W 29 3.018 -1.671 3.190 1.00 0.00 H ATOM 449 N TRP W 30 6.428 -2.295 2.186 1.00 0.00 N ATOM 450 CA TRP W 30 7.323 -1.344 1.542 1.00 0.00 C ATOM 451 C TRP W 30 7.557 -1.755 0.096 1.00 0.00 C ATOM 452 O TRP W 30 7.496 -0.933 -0.815 1.00 0.00 O ATOM 453 CB TRP W 30 8.636 -1.288 2.299 1.00 0.00 C ATOM 454 CG TRP W 30 8.791 -0.093 3.194 1.00 0.00 C ATOM 455 CD1 TRP W 30 8.423 0.034 4.513 1.00 0.00 C ATOM 456 CD2 TRP W 30 9.359 1.164 2.822 1.00 0.00 C ATOM 457 NE1 TRP W 30 8.812 1.257 4.986 1.00 0.00 N ATOM 458 CE2 TRP W 30 9.376 1.972 3.972 1.00 0.00 C ATOM 459 CE3 TRP W 30 9.879 1.677 1.636 1.00 0.00 C ATOM 460 CZ2 TRP W 30 9.895 3.262 3.968 1.00 0.00 C ATOM 461 CZ3 TRP W 30 10.381 2.963 1.626 1.00 0.00 C ATOM 462 CH2 TRP W 30 10.392 3.742 2.790 1.00 0.00 C ATOM 463 HA TRP W 30 6.870 -0.353 1.552 1.00 0.00 H ATOM 464 HB2 TRP W 30 8.713 -2.185 2.913 1.00 0.00 H ATOM 465 HB3 TRP W 30 9.448 -1.276 1.572 1.00 0.00 H ATOM 466 HE1 TRP W 30 8.696 1.589 5.965 1.00 0.00 H ATOM 467 HD1 TRP W 30 7.900 -0.726 5.094 1.00 0.00 H ATOM 468 HZ2 TRP W 30 9.905 3.869 4.873 1.00 0.00 H ATOM 469 HH2 TRP W 30 10.805 4.750 2.755 1.00 0.00 H ATOM 470 HZ3 TRP W 30 10.775 3.378 0.698 1.00 0.00 H ATOM 471 HE3 TRP W 30 9.889 1.072 0.729 1.00 0.00 H ATOM 472 H TRP W 30 6.800 -2.933 2.918 1.00 0.00 H ATOM 473 N GLU W 31 7.833 -3.031 -0.098 1.00 0.00 N ATOM 474 CA GLU W 31 7.901 -3.599 -1.430 1.00 0.00 C ATOM 475 C GLU W 31 6.660 -4.439 -1.702 1.00 0.00 C ATOM 476 O GLU W 31 5.768 -4.522 -0.856 1.00 0.00 O ATOM 477 CB GLU W 31 9.159 -4.437 -1.596 1.00 0.00 C ATOM 478 CG GLU W 31 9.221 -5.635 -0.670 1.00 0.00 C ATOM 479 CD GLU W 31 10.621 -6.197 -0.534 1.00 0.00 C ATOM 480 OE1 GLU W 31 11.037 -7.001 -1.393 1.00 0.00 O ATOM 481 OE2 GLU W 31 11.310 -5.838 0.447 1.00 0.00 O ATOM 482 HA GLU W 31 7.940 -2.784 -2.153 1.00 0.00 H ATOM 483 HB2 GLU W 31 9.201 -4.795 -2.625 1.00 0.00 H ATOM 484 HB3 GLU W 31 10.023 -3.803 -1.397 1.00 0.00 H ATOM 485 HG2 GLU W 31 8.869 -5.332 0.316 1.00 0.00 H ATOM 486 HG3 GLU W 31 8.569 -6.415 -1.064 1.00 0.00 H ATOM 487 H GLU W 31 8.006 -3.644 0.724 1.00 0.00 H ATOM 488 N LYS W 32 6.620 -5.081 -2.866 1.00 0.00 N ATOM 489 CA LYS W 32 5.441 -5.830 -3.287 1.00 0.00 C ATOM 490 C LYS W 32 5.096 -6.954 -2.306 1.00 0.00 C ATOM 491 O LYS W 32 5.940 -7.786 -1.966 1.00 0.00 O ATOM 492 CB LYS W 32 5.627 -6.397 -4.700 1.00 0.00 C ATOM 493 CG LYS W 32 6.823 -7.329 -4.846 1.00 0.00 C ATOM 494 CD LYS W 32 6.920 -7.905 -6.253 1.00 0.00 C ATOM 495 CE LYS W 32 5.717 -8.776 -6.592 1.00 0.00 C ATOM 496 NZ LYS W 32 5.642 -9.985 -5.724 1.00 0.00 N ATOM 497 HA LYS W 32 4.606 -5.130 -3.297 1.00 0.00 H ATOM 498 HB2 LYS W 32 4.727 -6.951 -4.968 1.00 0.00 H ATOM 499 HB3 LYS W 32 5.757 -5.563 -5.389 1.00 0.00 H ATOM 500 HG2 LYS W 32 7.734 -6.772 -4.629 1.00 0.00 H ATOM 501 HG3 LYS W 32 6.721 -8.149 -4.135 1.00 0.00 H ATOM 502 HD2 LYS W 32 6.974 -7.084 -6.968 1.00 0.00 H ATOM 503 HD3 LYS W 32 7.825 -8.509 -6.326 1.00 0.00 H ATOM 504 HE2 LYS W 32 5.793 -9.093 -7.632 1.00 0.00 H ATOM 505 HE3 LYS W 32 4.808 -8.189 -6.458 1.00 0.00 H ATOM 506 HZ1 LYS W 32 6.503 -10.555 -5.850 1.00 0.00 H ATOM 507 HZ2 LYS W 32 5.562 -9.692 -4.729 1.00 0.00 H ATOM 508 HZ3 LYS W 32 4.809 -10.549 -5.989 1.00 0.00 H ATOM 509 H LYS W 32 7.450 -5.048 -3.492 1.00 0.00 H ATOM 510 N PRO W 33 3.848 -6.956 -1.814 1.00 0.00 N ATOM 511 CA PRO W 33 3.323 -8.021 -0.950 1.00 0.00 C ATOM 512 C PRO W 33 3.460 -9.406 -1.580 1.00 0.00 C ATOM 513 O PRO W 33 3.552 -9.540 -2.803 1.00 0.00 O ATOM 514 CB PRO W 33 1.840 -7.656 -0.813 1.00 0.00 C ATOM 515 CG PRO W 33 1.799 -6.182 -1.010 1.00 0.00 C ATOM 516 CD PRO W 33 2.864 -5.880 -2.024 1.00 0.00 C ATOM 517 HA PRO W 33 3.862 -8.080 -0.005 1.00 0.00 H ATOM 518 HD3 PRO W 33 2.460 -5.912 -3.036 1.00 0.00 H ATOM 519 HD2 PRO W 33 3.310 -4.902 -1.843 1.00 0.00 H ATOM 520 HG3 PRO W 33 2.009 -5.667 -0.073 1.00 0.00 H ATOM 521 HG2 PRO W 33 0.821 -5.875 -1.381 1.00 0.00 H ATOM 522 HB2 PRO W 33 1.246 -8.163 -1.573 1.00 0.00 H ATOM 523 HB3 PRO W 33 1.467 -7.923 0.176 1.00 0.00 H ATOM 524 N GLN W 34 3.465 -10.437 -0.743 1.00 0.00 N ATOM 525 CA GLN W 34 3.482 -11.817 -1.228 1.00 0.00 C ATOM 526 C GLN W 34 2.158 -12.138 -1.921 1.00 0.00 C ATOM 527 O GLN W 34 2.100 -12.972 -2.823 1.00 0.00 O ATOM 528 CB GLN W 34 3.715 -12.787 -0.064 1.00 0.00 C ATOM 529 CG GLN W 34 3.784 -14.257 -0.462 1.00 0.00 C ATOM 530 CD GLN W 34 4.986 -14.587 -1.322 1.00 0.00 C ATOM 531 OE1 GLN W 34 6.046 -13.970 -1.209 1.00 0.00 O ATOM 532 NE2 GLN W 34 4.828 -15.575 -2.181 1.00 0.00 N ATOM 533 HA GLN W 34 4.297 -11.930 -1.943 1.00 0.00 H ATOM 534 HB2 GLN W 34 4.656 -12.521 0.417 1.00 0.00 H ATOM 535 HB3 GLN W 34 2.898 -12.666 0.648 1.00 0.00 H ATOM 536 HG2 GLN W 34 3.831 -14.860 0.445 1.00 0.00 H ATOM 537 HG3 GLN W 34 2.881 -14.508 -1.018 1.00 0.00 H ATOM 538 HE22 GLN W 34 3.915 -16.069 -2.243 1.00 0.00 H ATOM 539 HE21 GLN W 34 5.616 -15.860 -2.796 1.00 0.00 H ATOM 540 H GLN W 34 3.457 -10.259 0.282 1.00 0.00 H ATOM 541 N GLU W 35 1.108 -11.447 -1.488 1.00 0.00 N ATOM 542 CA GLU W 35 -0.234 -11.639 -2.026 1.00 0.00 C ATOM 543 C GLU W 35 -0.462 -10.744 -3.244 1.00 0.00 C ATOM 544 O GLU W 35 -1.554 -10.714 -3.813 1.00 0.00 O ATOM 545 CB GLU W 35 -1.259 -11.315 -0.941 1.00 0.00 C ATOM 546 CG GLU W 35 -1.074 -12.120 0.331 1.00 0.00 C ATOM 547 CD GLU W 35 -1.703 -11.451 1.536 1.00 0.00 C ATOM 548 OE1 GLU W 35 -2.911 -11.143 1.486 1.00 0.00 O ATOM 549 OE2 GLU W 35 -0.988 -11.223 2.535 1.00 0.00 O ATOM 550 HA GLU W 35 -0.345 -12.676 -2.341 1.00 0.00 H ATOM 551 HB2 GLU W 35 -1.177 -10.257 -0.694 1.00 0.00 H ATOM 552 HB3 GLU W 35 -2.255 -11.518 -1.336 1.00 0.00 H ATOM 553 HG2 GLU W 35 -1.533 -13.099 0.195 1.00 0.00 H ATOM 554 HG3 GLU W 35 -0.007 -12.242 0.516 1.00 0.00 H ATOM 555 H GLU W 35 1.249 -10.742 -0.736 1.00 0.00 H ATOM 556 N LEU W 36 0.574 -10.012 -3.625 1.00 0.00 N ATOM 557 CA LEU W 36 0.521 -9.115 -4.767 1.00 0.00 C ATOM 558 C LEU W 36 0.732 -9.907 -6.058 1.00 0.00 C ATOM 559 O LEU W 36 1.833 -10.378 -6.336 1.00 0.00 O ATOM 560 CB LEU W 36 1.604 -8.038 -4.595 1.00 0.00 C ATOM 561 CG LEU W 36 1.391 -6.688 -5.311 1.00 0.00 C ATOM 562 CD1 LEU W 36 1.071 -6.867 -6.785 1.00 0.00 C ATOM 563 CD2 LEU W 36 0.304 -5.876 -4.623 1.00 0.00 C ATOM 564 HA LEU W 36 -0.455 -8.633 -4.826 1.00 0.00 H ATOM 565 HB2 LEU W 36 1.692 -7.831 -3.528 1.00 0.00 H ATOM 566 HB3 LEU W 36 2.541 -8.457 -4.961 1.00 0.00 H ATOM 567 HG LEU W 36 2.331 -6.140 -5.246 1.00 0.00 H ATOM 568 HD21 LEU W 36 -0.632 -6.435 -4.641 1.00 0.00 H ATOM 569 HD22 LEU W 36 0.594 -5.684 -3.590 1.00 0.00 H ATOM 570 HD23 LEU W 36 0.173 -4.929 -5.147 1.00 0.00 H ATOM 571 HD11 LEU W 36 1.896 -7.385 -7.274 1.00 0.00 H ATOM 572 HD12 LEU W 36 0.159 -7.455 -6.889 1.00 0.00 H ATOM 573 HD13 LEU W 36 0.930 -5.890 -7.246 1.00 0.00 H ATOM 574 H LEU W 36 1.460 -10.082 -3.086 1.00 0.00 H ATOM 575 N LYS W 37 -0.334 -10.056 -6.826 1.00 0.00 N ATOM 576 CA LYS W 37 -0.283 -10.794 -8.076 1.00 0.00 C ATOM 577 C LYS W 37 -0.317 -9.836 -9.254 1.00 0.00 C ATOM 578 O LYS W 37 -1.340 -9.145 -9.421 1.00 0.00 O ATOM 579 CB LYS W 37 -1.447 -11.785 -8.169 1.00 0.00 C ATOM 580 CG LYS W 37 -1.292 -12.985 -7.253 1.00 0.00 C ATOM 581 CD LYS W 37 -2.494 -13.907 -7.343 1.00 0.00 C ATOM 582 CE LYS W 37 -2.233 -15.224 -6.632 1.00 0.00 C ATOM 583 NZ LYS W 37 -1.862 -15.028 -5.204 1.00 0.00 N ATOM 584 HA LYS W 37 0.651 -11.356 -8.104 1.00 0.00 H ATOM 585 OXT LYS W 37 0.666 -9.796 -10.018 1.00 0.00 O ATOM 586 HB2 LYS W 37 -2.367 -11.264 -7.903 1.00 0.00 H ATOM 587 HB3 LYS W 37 -1.516 -12.141 -9.197 1.00 0.00 H ATOM 588 HG2 LYS W 37 -0.398 -13.538 -7.540 1.00 0.00 H ATOM 589 HG3 LYS W 37 -1.188 -12.636 -6.225 1.00 0.00 H ATOM 590 HD2 LYS W 37 -3.352 -13.418 -6.882 1.00 0.00 H ATOM 591 HD3 LYS W 37 -2.711 -14.106 -8.392 1.00 0.00 H ATOM 592 HE2 LYS W 37 -1.418 -15.741 -7.139 1.00 0.00 H ATOM 593 HE3 LYS W 37 -3.135 -15.834 -6.680 1.00 0.00 H ATOM 594 HZ1 LYS W 37 -0.997 -14.453 -5.148 1.00 0.00 H ATOM 595 HZ2 LYS W 37 -2.637 -14.541 -4.710 1.00 0.00 H ATOM 596 HZ3 LYS W 37 -1.694 -15.954 -4.761 1.00 0.00 H ATOM 597 H LYS W 37 -1.235 -9.632 -6.526 1.00 0.00 H TER 598 LYS W 37 HETATM 599 N PRO A 1 -10.056 11.508 1.233 1.00 0.25 N HETATM 600 CA PRO A 1 -9.114 10.411 1.457 1.00 0.07 C HETATM 601 C PRO A 1 -7.718 10.916 1.806 1.00 0.23 C HETATM 602 O PRO A 1 -7.045 11.545 0.984 1.00 -0.39 O HETATM 603 N PRO A 1 -7.305 10.660 3.036 1.00 -0.26 N HETATM 604 CA PRO A 1 -6.007 11.107 3.512 1.00 0.16 C HETATM 605 C PRO A 1 -5.023 9.943 3.433 1.00 0.21 C HETATM 606 O PRO A 1 -5.432 8.791 3.585 1.00 -0.39 O HETATM 607 N PRO A 1 -3.726 10.204 3.197 1.00 -0.25 N HETATM 608 CA PRO A 1 -2.732 9.138 3.140 1.00 0.13 C HETATM 609 C PRO A 1 -2.324 8.647 4.529 1.00 0.21 C HETATM 610 O PRO A 1 -2.320 9.412 5.497 1.00 -0.39 O HETATM 611 N PRO A 1 -1.973 7.364 4.651 1.00 -0.25 N HETATM 612 CA PRO A 1 -1.360 6.843 5.852 1.00 0.13 C HETATM 613 C PRO A 1 0.110 7.227 5.870 1.00 0.21 C HETATM 614 O PRO A 1 0.709 7.392 4.803 1.00 -0.39 O HETATM 615 N PRO A 1 0.720 7.428 7.039 1.00 -0.25 N HETATM 616 CA PRO A 1 2.132 7.753 7.067 1.00 0.13 C HETATM 617 C PRO A 1 2.959 6.499 6.845 1.00 0.20 C HETATM 618 O PRO A 1 2.564 5.400 7.242 1.00 -0.39 O HETATM 619 N PRO A 1 4.113 6.670 6.228 1.00 -0.26 N HETATM 620 CA PRO A 1 4.909 5.534 5.801 1.00 0.13 C HETATM 621 C PRO A 1 5.667 4.922 6.984 1.00 0.21 C HETATM 622 O PRO A 1 6.039 5.627 7.921 1.00 -0.39 O HETATM 623 N PRO A 1 5.896 3.596 6.955 1.00 -0.25 N HETATM 624 CA PRO A 1 6.682 2.917 7.982 1.00 0.13 C HETATM 625 C PRO A 1 8.182 3.115 7.804 1.00 0.21 C HETATM 626 O PRO A 1 8.651 3.370 6.703 1.00 -0.39 O HETATM 627 N PRO A 1 8.943 3.018 8.902 1.00 -0.26 N HETATM 628 CA PRO A 1 10.389 3.113 8.879 1.00 0.10 C HETATM 629 C PRO A 1 11.048 1.742 8.726 1.00 0.06 C HETATM 630 O PRO A 1 11.583 1.449 7.639 1.00 -0.57 O HETATM 631 OXT PRO A 1 11.021 0.955 9.697 1.00 -0.57 O HETATM 632 CB PRO A 1 10.712 3.735 10.243 1.00 -0.02 C HETATM 633 CG PRO A 1 9.547 3.409 11.134 1.00 -0.03 C HETATM 634 CD PRO A 1 8.453 2.823 10.272 1.00 0.04 C HETATM 635 H61 PRO A 1 8.313 1.754 10.490 1.00 0.05 H HETATM 636 H62 PRO A 1 7.504 3.356 10.428 1.00 0.05 H HETATM 637 H59 PRO A 1 9.185 4.324 11.626 1.00 0.03 H HETATM 638 H60 PRO A 1 9.853 2.679 11.897 1.00 0.03 H HETATM 639 H57 PRO A 1 10.827 4.825 10.148 1.00 0.03 H HETATM 640 H58 PRO A 1 11.637 3.302 10.651 1.00 0.03 H HETATM 641 H56 PRO A 1 10.724 3.767 8.060 1.00 0.07 H HETATM 642 CB PRO A 1 6.343 1.428 7.806 1.00 -0.01 C HETATM 643 CG PRO A 1 5.456 1.309 6.604 1.00 -0.03 C HETATM 644 CD PRO A 1 5.285 2.662 5.997 1.00 0.04 C HETATM 645 H54 PRO A 1 5.798 2.716 5.025 1.00 0.05 H HETATM 646 H55 PRO A 1 4.218 2.892 5.862 1.00 0.05 H HETATM 647 H52 PRO A 1 4.475 0.913 6.906 1.00 0.03 H HETATM 648 H53 PRO A 1 5.916 0.630 5.871 1.00 0.03 H HETATM 649 H50 PRO A 1 5.819 1.054 8.698 1.00 0.03 H HETATM 650 H51 PRO A 1 7.265 0.848 7.652 1.00 0.03 H HETATM 651 H49 PRO A 1 6.386 3.271 8.981 1.00 0.08 H HETATM 652 CB PRO A 1 5.824 6.020 4.655 1.00 -0.01 C HETATM 653 CG PRO A 1 7.105 5.245 4.362 1.00 -0.04 C HETATM 654 CD1 PRO A 1 6.817 4.006 3.540 1.00 -0.06 C HETATM 655 H43 PRO A 1 7.757 3.469 3.345 1.00 0.02 H HETATM 656 H44 PRO A 1 6.357 4.298 2.585 1.00 0.02 H HETATM 657 H45 PRO A 1 6.128 3.351 4.093 1.00 0.02 H HETATM 658 CD2 PRO A 1 8.069 6.150 3.628 1.00 -0.06 C HETATM 659 H46 PRO A 1 8.268 7.044 4.237 1.00 0.02 H HETATM 660 H47 PRO A 1 7.629 6.452 2.666 1.00 0.02 H HETATM 661 H48 PRO A 1 9.011 5.612 3.447 1.00 0.02 H HETATM 662 H42 PRO A 1 7.559 4.936 5.315 1.00 0.03 H HETATM 663 H40 PRO A 1 6.118 7.053 4.891 1.00 0.03 H HETATM 664 H41 PRO A 1 5.222 6.011 3.734 1.00 0.03 H HETATM 665 H39 PRO A 1 4.238 4.760 5.401 1.00 0.08 H HETATM 666 H38 PRO A 1 4.444 7.597 6.052 1.00 0.19 H HETATM 667 CB PRO A 1 2.336 8.292 8.481 1.00 -0.01 C HETATM 668 CG PRO A 1 1.282 7.625 9.301 1.00 -0.03 C HETATM 669 CD PRO A 1 0.116 7.369 8.380 1.00 0.04 C HETATM 670 H36 PRO A 1 -0.325 6.379 8.570 1.00 0.05 H HETATM 671 H37 PRO A 1 -0.656 8.143 8.498 1.00 0.05 H HETATM 672 H34 PRO A 1 0.974 8.280 10.129 1.00 0.03 H HETATM 673 H35 PRO A 1 1.661 6.675 9.706 1.00 0.03 H HETATM 674 H32 PRO A 1 2.209 9.384 8.501 1.00 0.03 H HETATM 675 H33 PRO A 1 3.338 8.033 8.853 1.00 0.03 H HETATM 676 H31 PRO A 1 2.386 8.509 6.310 1.00 0.08 H HETATM 677 CB PRO A 1 -1.565 5.328 5.759 1.00 -0.01 C HETATM 678 CG PRO A 1 -1.795 5.025 4.314 1.00 -0.03 C HETATM 679 CD PRO A 1 -2.080 6.331 3.608 1.00 0.04 C HETATM 680 H29 PRO A 1 -1.342 6.508 2.812 1.00 0.05 H HETATM 681 H30 PRO A 1 -3.091 6.323 3.175 1.00 0.05 H HETATM 682 H27 PRO A 1 -2.654 4.346 4.206 1.00 0.03 H HETATM 683 H28 PRO A 1 -0.899 4.554 3.883 1.00 0.03 H HETATM 684 H25 PRO A 1 -2.438 5.024 6.356 1.00 0.03 H HETATM 685 H26 PRO A 1 -0.671 4.800 6.122 1.00 0.03 H HETATM 686 H24 PRO A 1 -1.853 7.241 6.751 1.00 0.08 H HETATM 687 CB PRO A 1 -1.564 9.822 2.423 1.00 -0.01 C HETATM 688 CG PRO A 1 -1.645 11.233 2.881 1.00 -0.03 C HETATM 689 CD PRO A 1 -3.119 11.535 2.952 1.00 0.04 C HETATM 690 H22 PRO A 1 -3.340 12.227 3.777 1.00 0.05 H HETATM 691 H23 PRO A 1 -3.480 11.965 2.006 1.00 0.05 H HETATM 692 H20 PRO A 1 -1.147 11.902 2.163 1.00 0.03 H HETATM 693 H21 PRO A 1 -1.179 11.346 3.871 1.00 0.03 H HETATM 694 H18 PRO A 1 -1.682 9.757 1.331 1.00 0.03 H HETATM 695 H19 PRO A 1 -0.605 9.369 2.716 1.00 0.03 H HETATM 696 H17 PRO A 1 -3.108 8.285 2.555 1.00 0.08 H HETATM 697 CB PRO A 1 -6.138 11.584 4.976 1.00 0.09 C HETATM 698 OG1 PRO A 1 -7.391 12.259 5.131 1.00 -0.39 O HETATM 699 H13 PRO A 1 -7.480 12.556 6.029 1.00 0.21 H HETATM 700 CG2 PRO A 1 -5.014 12.535 5.373 1.00 -0.03 C HETATM 701 H14 PRO A 1 -5.149 12.846 6.419 1.00 0.03 H HETATM 702 H15 PRO A 1 -5.036 13.421 4.721 1.00 0.03 H HETATM 703 H16 PRO A 1 -4.046 12.024 5.265 1.00 0.03 H HETATM 704 H12 PRO A 1 -6.110 10.706 5.639 1.00 0.06 H HETATM 705 H11 PRO A 1 -5.648 11.937 2.886 1.00 0.08 H HETATM 706 H10 PRO A 1 -7.901 10.146 3.654 1.00 0.19 H HETATM 707 CB PRO A 1 -9.103 9.675 0.118 1.00 0.01 C HETATM 708 CG PRO A 1 -10.444 9.936 -0.468 1.00 -0.01 C HETATM 709 CD PRO A 1 -10.836 11.318 -0.008 1.00 -0.03 C HETATM 710 H8 PRO A 1 -10.566 12.073 -0.761 1.00 0.08 H HETATM 711 H9 PRO A 1 -11.916 11.372 0.195 1.00 0.08 H HETATM 712 H6 PRO A 1 -11.170 9.193 -0.107 1.00 0.03 H HETATM 713 H7 PRO A 1 -10.395 9.898 -1.566 1.00 0.03 H HETATM 714 H4 PRO A 1 -8.949 8.596 0.270 1.00 0.03 H HETATM 715 H5 PRO A 1 -8.311 10.070 -0.535 1.00 0.03 H HETATM 716 H3 PRO A 1 -9.471 9.753 2.263 1.00 0.11 H HETATM 717 H1 PRO A 1 -9.541 12.372 1.165 1.00 0.20 H HETATM 718 H2 PRO A 1 -10.692 11.556 2.014 1.00 0.20 H CONECT 1 2 7 8 9 CONECT 7 1 CONECT 8 1 CONECT 9 1 CONECT 599 600 709 717 718 CONECT 600 599 601 707 716 CONECT 601 600 602 603 CONECT 602 601 CONECT 603 601 604 706 CONECT 604 603 605 697 705 CONECT 605 604 606 607 CONECT 606 605 CONECT 607 605 608 689 CONECT 608 607 609 687 696 CONECT 609 608 610 611 CONECT 610 609 CONECT 611 609 612 679 CONECT 612 611 613 677 686 CONECT 613 612 614 615 CONECT 614 613 CONECT 615 613 616 669 CONECT 616 615 617 667 676 CONECT 617 616 618 619 CONECT 618 617 CONECT 619 617 620 666 CONECT 620 619 621 652 665 CONECT 621 620 622 623 CONECT 622 621 CONECT 623 621 624 644 CONECT 624 623 625 642 651 CONECT 625 624 626 627 CONECT 626 625 CONECT 627 625 628 634 CONECT 628 627 629 632 641 CONECT 629 628 630 631 CONECT 630 629 CONECT 631 629 CONECT 632 628 633 639 640 CONECT 633 632 634 637 638 CONECT 634 627 633 635 636 CONECT 635 634 CONECT 636 634 CONECT 637 633 CONECT 638 633 CONECT 639 632 CONECT 640 632 CONECT 641 628 CONECT 642 624 643 649 650 CONECT 643 642 644 647 648 CONECT 644 623 643 645 646 CONECT 645 644 CONECT 646 644 CONECT 647 643 CONECT 648 643 CONECT 649 642 CONECT 650 642 CONECT 651 624 CONECT 652 620 653 663 664 CONECT 653 652 654 658 662 CONECT 654 653 655 656 657 CONECT 655 654 CONECT 656 654 CONECT 657 654 CONECT 658 653 659 660 661 CONECT 659 658 CONECT 660 658 CONECT 661 658 CONECT 662 653 CONECT 663 652 CONECT 664 652 CONECT 665 620 CONECT 666 619 CONECT 667 616 668 674 675 CONECT 668 667 669 672 673 CONECT 669 615 668 670 671 CONECT 670 669 CONECT 671 669 CONECT 672 668 CONECT 673 668 CONECT 674 667 CONECT 675 667 CONECT 676 616 CONECT 677 612 678 684 685 CONECT 678 677 679 682 683 CONECT 679 611 678 680 681 CONECT 680 679 CONECT 681 679 CONECT 682 678 CONECT 683 678 CONECT 684 677 CONECT 685 677 CONECT 686 612 CONECT 687 608 688 694 695 CONECT 688 687 689 692 693 CONECT 689 607 688 690 691 CONECT 690 689 CONECT 691 689 CONECT 692 688 CONECT 693 688 CONECT 694 687 CONECT 695 687 CONECT 696 608 CONECT 697 604 698 700 704 CONECT 698 697 699 CONECT 699 698 CONECT 700 697 701 702 703 CONECT 701 700 CONECT 702 700 CONECT 703 700 CONECT 704 697 CONECT 705 604 CONECT 706 603 CONECT 707 600 708 714 715 CONECT 708 707 709 712 713 CONECT 709 599 708 710 711 CONECT 710 709 CONECT 711 709 CONECT 712 708 CONECT 713 708 CONECT 714 707 CONECT 715 707 CONECT 716 600 CONECT 717 599 CONECT 718 599 MASTER 0 0 0 0 0 0 0 0 717 1 124 3 END
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Entries with 90% protein sequence similarity cutoff in PDBbind
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Check Database
Protein Sequence Similarity
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RCSB PDB
PDBbind
37aa, >2JUP_1|Chain... *
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PDBbind
37aa, >2RM0_1|Chain... at 100%
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PDBbind
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8-mer
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PDBbind
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PDBbind
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8-mer
3rdv
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PDBbind
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PDBbind
8-mer
4eqj
RCSB PDB
PDBbind
8-mer
4ezr
RCSB PDB
PDBbind
8-mer
4fmo
RCSB PDB
PDBbind
8-mer
4fn5
RCSB PDB
PDBbind
8-mer
4gpk
RCSB PDB
PDBbind
8-mer
4gvc
RCSB PDB
PDBbind
8-mer
4gvd
RCSB PDB
PDBbind
8-mer
4gvu
RCSB PDB
PDBbind
8-mer
4h36
RCSB PDB
PDBbind
8-mer
4h75
RCSB PDB
PDBbind
8-mer
4ii9
RCSB PDB
PDBbind
8-mer
4jiz
RCSB PDB
PDBbind
8-mer
4lkl
RCSB PDB
PDBbind
8-mer
4lkm
RCSB PDB
PDBbind
8-mer
4mji
RCSB PDB
PDBbind
8-mer
4nxq
RCSB PDB
PDBbind
8-mer
4nxr
RCSB PDB
PDBbind
8-mer
4o2f
RCSB PDB
PDBbind
8-mer
4rxh
RCSB PDB
PDBbind
8-mer
4y7r
RCSB PDB
PDBbind
8-mer
4ysi
RCSB PDB
PDBbind
8-mer
5d7e
RCSB PDB
PDBbind
8-mer
5e2q
RCSB PDB
PDBbind
8-mer
5elq
RCSB PDB
PDBbind
8-mer
5em9
RCSB PDB
PDBbind
8-mer
5ema
RCSB PDB
PDBbind
8-mer
5emb
RCSB PDB
PDBbind
8-mer
5fjx
RCSB PDB
PDBbind
8-mer
5fpi
RCSB PDB
PDBbind
8-mer
5gmv
RCSB PDB
PDBbind
8-mer
5hjb
RCSB PDB
PDBbind
8-mer
5i25
RCSB PDB
PDBbind
8-mer
5iok
RCSB PDB
PDBbind
8-mer
5iql
RCSB PDB
PDBbind
8-mer
5jjm
RCSB PDB
PDBbind
8-mer
5mgx
RCSB PDB
PDBbind
8-mer
5n70
RCSB PDB
PDBbind
8-mer
5svi
RCSB PDB
PDBbind
8-mer
5sxm
RCSB PDB
PDBbind
8-mer
5t6p
RCSB PDB
PDBbind
8-mer
5t78
RCSB PDB
PDBbind
8-mer
5teg
RCSB PDB
PDBbind
8-mer
5tkj
RCSB PDB
PDBbind
8-mer
5tkk
RCSB PDB
PDBbind
8-mer
5vwi
RCSB PDB
PDBbind
8-mer
5vwk
RCSB PDB
PDBbind
8-mer
5wou
RCSB PDB
PDBbind
8-mer
5wtt
RCSB PDB
PDBbind
8-mer
5xjm
RCSB PDB
PDBbind
8-mer
5xn3
RCSB PDB
PDBbind
8-mer
5yba
RCSB PDB
PDBbind
8-mer
6cdm
RCSB PDB
PDBbind
8-mer
6cdo
RCSB PDB
PDBbind
8-mer
6cdp
RCSB PDB
PDBbind
8-mer
6e86
RCSB PDB
PDBbind
8-mer
6eww
RCSB PDB
PDBbind
8-mer
6fau
RCSB PDB
PDBbind
8-mer
6fav
RCSB PDB
PDBbind
8-mer
6faw
RCSB PDB
PDBbind
8-mer
6fbw
RCSB PDB
PDBbind
8-mer
6fby
RCSB PDB
PDBbind
8-mer
6fel
RCSB PDB
PDBbind
8-mer
6fi4
RCSB PDB
PDBbind
8-mer
6fi5
RCSB PDB
PDBbind
8-mer
6fmp
RCSB PDB
PDBbind
8-mer
6fx1
RCSB PDB
PDBbind
8-mer
6hpg
RCSB PDB
PDBbind
8-mer
6min
RCSB PDB
PDBbind
8-mer
6miq
RCSB PDB
PDBbind
8-mer
6q3q
RCSB PDB
PDBbind
8-mer
6r0x
RCSB PDB
PDBbind
8-mer
6qk8
RCSB PDB
PDBbind
8-mer
6q4q
RCSB PDB
PDBbind
8-mer
6mtv
RCSB PDB
PDBbind
8-mer
6mtu
RCSB PDB
PDBbind
8-mer
6ms1
RCSB PDB
PDBbind
8-mer
6mqe
RCSB PDB
PDBbind
8-mer
6mqc
RCSB PDB
PDBbind
8-mer
6jax
RCSB PDB
PDBbind
8-mer
6hmt
RCSB PDB
PDBbind
8-mer
6hhp
RCSB PDB
PDBbind
8-mer
6dtn
RCSB PDB
PDBbind
8-mer
6dql
RCSB PDB
PDBbind
8-mer
6do1
RCSB PDB
PDBbind
8-mer
Entry Information
PDB ID
2rly
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Transcription elongation regulator 1(FBP28WW2 domain)
Ligand Name
8-mer
EC.Number
E.C.-.-.-.-
Resolution
NMR
Affinity (Kd/Ki/IC50)
Kd=270uM
Release Year
2007
Protein/NA Sequence
Check fasta file
Primary Reference
J.Mol.Biol. 373: 1255-1268
Ligand Properties
Formula
C
4
0
H
6
3
N
8
O
1
0
Molecular Weight
815.976
Exact Mass
815.467
No. of atoms
121
No. of bonds
126
Polar Surface Area
233.89
LOGP Value
-1.03 (
Computed with XLOGP3
)
0.19 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 10
No. of Rotatable Bonds: 20
No. of Nitrogen and Oxygen Atoms: 18
No. of Rings: 6
Canonical SMILES
CC(C[C@@H](C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H]([C@H](O)C)NC(=O)[C@@H]1CCC[NH2+]1)C
InChI String
InChI=1S/C40H62N8O10/c1-23(2)22-26(35(52)45-18-6-12-28(45)38(55)48-21-9-15-31(48)40(57)58)42-34(51)27-11-5-17-44(27)36(53)29-13-7-19-46(29)37(54)30-14-8-20-47(30)39(56)32(24(3)49)43-33(50)25-10-4-16-41-25/h23-32,41,49H,4-22H2,1-3H3,(H,42,51)(H,43,50)(H,57,58)/p+1/t24-,25+,26+,27+,28+,29+,30+,31+,32+/m1/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
Q05860
Q8CGF7
Entrez Gene ID
NCBI Entrez Gene ID:
14260
56070
ASD
Information of known allosteric effects of PDB entries
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times since Nov 2007.
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