Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3rrk_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N VAL 280.A O no hydrogen 3.447 N/A GLU 2.A N VAL 280.A O no hydrogen 3.309 N/A LEU 4.A N GLY 278.A O no hydrogen 2.683 N/A ILE 5.A N ILE 299.A O no hydrogen 3.296 N/A VAL 6.A N LEU 276.A O no hydrogen 2.885 N/A ALA 7.A N ASP 297.A O no hydrogen 3.107 N/A GLY 8.A N ALA 274.A O no hydrogen 2.697 N/A LEU 12.A N PRO 9.A O no hydrogen 3.245 N/A ALA 13.A N LYS 10.A O no hydrogen 2.889 N/A ARG 14.A NH2 GLU 15.A OE2 no hydrogen 3.561 N/A LEU 16.A N LEU 12.A O no hydrogen 2.810 N/A LEU 17.A N ALA 13.A O no hydrogen 3.073 N/A ALA 18.A N ARG 14.A O no hydrogen 2.863 N/A GLU 19.A N GLU 15.A O no hydrogen 3.033 N/A LEU 20.A N LEU 16.A O no hydrogen 2.941 N/A GLN 21.A N LEU 17.A O no hydrogen 2.983 N/A LYS 22.A N ALA 18.A O no hydrogen 3.019 N/A ALA 23.A N LEU 20.A O no hydrogen 3.125 N/A GLY 24.A N LEU 20.A O no hydrogen 3.151 N/A GLY 24.A N GLN 21.A O no hydrogen 3.164 N/A VAL 25.A N LEU 20.A O no hydrogen 3.015 N/A VAL 26.A N TRP 279.A O no hydrogen 3.005 N/A ASP 29.A N MET 277.A O no hydrogen 2.877 N/A LEU 31.A N ALA 275.A O no hydrogen 2.653 N/A ARG 32.A N GLU 35.A OE2 no hydrogen 2.689 N/A GLU 35.A N ARG 32.A O no hydrogen 2.920 N/A LEU 36.A N PRO 33.A O no hydrogen 3.218 N/A GLY 37.A N ASP 34.A O no hydrogen 3.522 N/A TYR 39.A N LEU 36.A O no hydrogen 2.728 N/A ARG 40.A N GLY 37.A O no hydrogen 3.000 N/A SER 42.A N GLU 45.A OE1 no hydrogen 2.637 N/A SER 42.A OG GLU 45.A OE1 no hydrogen 2.911 N/A GLU 45.A N SER 42.A OG no hydrogen 3.125 N/A GLU 46.A N SER 42.A O no hydrogen 2.818 N/A ALA 47.A N PRO 43.A O no hydrogen 3.046 N/A GLU 48.A N THR 44.A O no hydrogen 3.191 N/A LEU 49.A N GLU 45.A O no hydrogen 2.945 N/A LYS 50.A N GLU 46.A O no hydrogen 3.009 N/A ARG 51.A N ALA 47.A O no hydrogen 3.040 N/A ARG 51.A NE GLU 85.A OE2 no hydrogen 2.690 N/A ARG 51.A NH2 GLU 82.A OE2 no hydrogen 2.893 N/A ARG 51.A NH2 GLU 85.A OE1 no hydrogen 2.806 N/A ARG 51.A NH2 GLU 85.A OE2 no hydrogen 3.345 N/A TRP 52.A N GLU 48.A O no hydrogen 2.900 N/A GLU 53.A N LEU 49.A O no hydrogen 2.959 N/A ALA 54.A N LYS 50.A O no hydrogen 3.074 N/A VAL 55.A N ARG 51.A O no hydrogen 2.941 N/A VAL 56.A N TRP 52.A O no hydrogen 2.885 N/A SER 57.A N GLU 53.A O no hydrogen 2.883 N/A GLN 58.A N ALA 54.A O no hydrogen 2.860 N/A ALA 59.A N VAL 55.A O no hydrogen 3.021 N/A GLU 60.A N VAL 56.A O no hydrogen 3.042 N/A GLN 61.A N SER 57.A O no hydrogen 2.998 N/A SER 62.A N GLN 58.A O no hydrogen 2.984 N/A SER 62.A OG GLN 58.A O no hydrogen 2.769 N/A LEU 63.A N ALA 59.A O no hydrogen 2.805 N/A THR 64.A N GLU 60.A O no hydrogen 2.954 N/A THR 64.A OG1 GLU 60.A O no hydrogen 3.189 N/A VAL 65.A N GLN 61.A O no hydrogen 3.281 N/A VAL 66.A N SER 62.A O no hydrogen 3.047 N/A GLY 67.A N LEU 63.A O no hydrogen 2.655 N/A LEU 68.A N LEU 63.A O no hydrogen 2.939 N/A SER 73.A N THR 252.A OG1 no hydrogen 3.123 N/A LYS 75.A N SER 73.A OG no hydrogen 3.098 N/A PHE 77.A N ALA 249.A O no hydrogen 2.909 N/A GLU 83.A N SER 80.A OG no hydrogen 2.896 N/A ALA 84.A N SER 80.A O no hydrogen 2.967 N/A GLU 85.A N LEU 81.A O no hydrogen 2.756 N/A ALA 86.A N GLU 82.A O no hydrogen 2.866 N/A VAL 87.A N GLU 83.A O no hydrogen 2.947 N/A LEU 88.A N ALA 84.A O no hydrogen 3.150 N/A LEU 88.A N GLU 85.A O no hydrogen 3.314 N/A ARG 89.A N.A GLU 85.A O no hydrogen 3.163 N/A ARG 89.A N.B GLU 85.A O no hydrogen 3.149 N/A ARG 89.A NE.A ARG 89.A O.A no hydrogen 3.109 N/A ARG 89.A NH1.A SER 93.A OG no hydrogen 2.781 N/A ALA 92.A N LEU 88.A O no hydrogen 2.733 N/A SER 93.A N ARG 89.A O.A no hydrogen 2.952 N/A SER 93.A N ARG 89.A O.B no hydrogen 2.943 N/A SER 93.A OG ARG 89.A O.A no hydrogen 3.396 N/A SER 93.A OG ARG 89.A O.B no hydrogen 3.459 N/A ARG 94.A N PRO 90.A O no hydrogen 3.012 N/A ARG 94.A NH2 GLU 242.A OE1 no hydrogen 3.408 N/A ALA 95.A N VAL 91.A O no hydrogen 2.920 N/A GLU 96.A N ALA 92.A O no hydrogen 2.884 N/A VAL 97.A N SER 93.A O no hydrogen 3.149 N/A LEU 98.A N ARG 94.A O no hydrogen 2.904 N/A GLY 99.A N ALA 95.A O no hydrogen 2.863 N/A LYS 100.A N GLU 96.A O no hydrogen 3.132 N/A LYS 100.A NZ GLU 96.A OE2 no hydrogen 3.180 N/A GLU 101.A N VAL 97.A O no hydrogen 2.981 N/A ARG 102.A N LEU 98.A O no hydrogen 2.934 N/A ARG 102.A NH1 VAL 65.A O no hydrogen 2.925 N/A ARG 102.A NH2 VAL 65.A O no hydrogen 3.332 N/A ALA 103.A N GLY 99.A O no hydrogen 3.210 N/A ALA 104.A N LYS 100.A O no hydrogen 3.097 N/A LEU 105.A N GLU 101.A O no hydrogen 2.874 N/A GLU 106.A N ARG 102.A O no hydrogen 2.936 N/A GLU 107.A N ALA 103.A O no hydrogen 2.967 N/A GLU 108.A N ALA 104.A O no hydrogen 2.981 N/A ILE 109.A N LEU 105.A O no hydrogen 2.924 N/A GLN 110.A N GLU 106.A O no hydrogen 3.067 N/A THR 111.A N GLU 107.A O no hydrogen 3.021 N/A THR 111.A OG1 GLU 107.A O no hydrogen 2.729 N/A ILE 112.A N GLU 108.A O no hydrogen 2.995 N/A GLU 113.A N ILE 109.A O no hydrogen 2.988 N/A LEU 114.A N GLN 110.A O no hydrogen 2.892 N/A PHE 115.A N THR 111.A O no hydrogen 2.827 N/A GLY 116.A N ILE 112.A O no hydrogen 2.816 N/A ALA 119.A N PHE 115.A O no hydrogen 2.919 N/A GLU 120.A N GLY 116.A O no hydrogen 3.095 N/A LYS 121.A N LYS 117.A O no hydrogen 2.965 N/A LYS 121.A NZ PRO 169.A O no hydrogen 3.129 N/A LEU 122.A N ALA 118.A O no hydrogen 2.988 N/A ALA 123.A N ALA 119.A O no hydrogen 3.049 N/A ALA 124.A N GLU 120.A O no hydrogen 3.259 N/A LEU 125.A N LYS 121.A O no hydrogen 2.953 N/A ALA 126.A N LEU 122.A O no hydrogen 2.869 N/A ALA 126.A N ALA 123.A O no hydrogen 3.249 N/A HIS 127.A N ALA 124.A O no hydrogen 3.056 N/A LEU 129.A N ALA 126.A O no hydrogen 3.116 N/A LEU 135.A N SER 132.A O no hydrogen 3.005 N/A GLY 136.A N VAL 180.A O no hydrogen 2.890 N/A ILE 138.A N VAL 178.A O no hydrogen 2.970 N/A PHE 140.A N ALA 176.A O no hydrogen 3.070 N/A VAL 142.A N LEU 174.A O no hydrogen 3.092 N/A ALA 143.A N GLU 147.A OE1 no hydrogen 3.318 N/A GLU 147.A N LYS 144.A O no hydrogen 2.851 N/A LEU 148.A N LYS 144.A O no hydrogen 3.134 N/A GLU 149.A N PRO 145.A O no hydrogen 3.383 N/A ALA 150.A N GLU 146.A O no hydrogen 3.398 N/A VAL 151.A N GLU 147.A O no hydrogen 3.201 N/A ARG 152.A N LEU 148.A O no hydrogen 2.868 N/A ARG 152.A NH1 GLU 149.A OE1 no hydrogen 3.544 N/A LYS 153.A N GLU 149.A O no hydrogen 2.670 N/A LYS 153.A NZ GLU 157.A OE1 no hydrogen 3.487 N/A ALA 154.A N ALA 150.A O no hydrogen 2.858 N/A LEU 155.A N VAL 151.A O no hydrogen 2.704 N/A GLN 156.A N ARG 152.A O no hydrogen 2.982 N/A GLU 157.A N LYS 153.A O no hydrogen 2.898 N/A ALA 158.A N LEU 155.A O no hydrogen 2.913 N/A LEU 159.A N LEU 155.A O no hydrogen 2.675 N/A ALA 160.A N GLN 156.A O no hydrogen 2.872 N/A ARG 162.A N LEU 159.A O no hydrogen 2.958 N/A ARG 162.A NE LEU 159.A O no hydrogen 3.087 N/A VAL 164.A N VAL 179.A O no hydrogen 2.991 N/A GLU 166.A N LEU 177.A O no hydrogen 3.215 N/A GLU 168.A N ALA 175.A O no hydrogen 2.684 N/A LEU 170.A N GLN 173.A O no hydrogen 2.750 N/A LEU 174.A N VAL 142.A O no hydrogen 2.630 N/A ALA 175.A N GLU 168.A O no hydrogen 2.717 N/A ALA 176.A N PHE 140.A O no hydrogen 3.020 N/A LEU 177.A N GLU 166.A O no hydrogen 2.889 N/A VAL 178.A N ILE 138.A O no hydrogen 2.910 N/A VAL 179.A N VAL 164.A O no hydrogen 3.067 N/A VAL 180.A N GLY 136.A O no hydrogen 3.021 N/A ARG 182.A N ARG 134.A O no hydrogen 3.050 N/A ARG 182.A NE PRO 133.A O no hydrogen 3.198 N/A ARG 182.A NH2 SER 132.A O no hydrogen 3.356 N/A GLU 184.A N LYS 181.A O no hydrogen 2.794 N/A LEU 185.A N ARG 182.A O no hydrogen 3.230 N/A ALA 187.A N GLU 184.A O no hydrogen 3.117 N/A ALA 188.A N GLU 184.A O no hydrogen 3.266 N/A ARG 189.A N LEU 185.A O no hydrogen 2.961 N/A ARG 189.A NE GLU 186.A OE1 no hydrogen 3.012 N/A ARG 189.A NE GLU 186.A OE2 no hydrogen 3.324 N/A ARG 189.A NH1 GLU 199.A OE1 no hydrogen 3.202 N/A SER 190.A N GLU 186.A O no hydrogen 2.847 N/A SER 191.A N ALA 187.A O no hydrogen 3.306 N/A SER 191.A OG ALA 187.A O no hydrogen 3.033 N/A LEU 192.A N ALA 188.A O no hydrogen 3.169 N/A SER 193.A N ARG 189.A O no hydrogen 2.805 N/A ARG 194.A N SER 190.A O no hydrogen 2.963 N/A LEU 195.A N LEU 192.A O no hydrogen 2.859 N/A GLY 196.A N SER 193.A O no hydrogen 3.248 N/A LEU 197.A N LEU 192.A O no hydrogen 2.960 N/A LEU 200.A N PRO 139.A O no hydrogen 3.050 N/A GLY 207.A N GLY 204.A O no hydrogen 3.003 N/A ALA 208.A N ALA 205.A O no hydrogen 3.381 N/A MET 209.A N TYR 206.A O no hydrogen 3.272 N/A GLY 212.A N ASP 130.A OD2 no hydrogen 2.855 N/A ALA 214.A N PRO 210.A O no hydrogen 2.953 N/A ALA 215.A N LEU 211.A O no hydrogen 2.911 N/A ALA 216.A N GLY 212.A O no hydrogen 3.215 N/A ALA 216.A N LYS 213.A O no hydrogen 2.970 N/A ARG 217.A N LYS 213.A O no hydrogen 2.915 N/A MET 218.A N ALA 214.A O no hydrogen 2.945 N/A LYS 219.A N ALA 215.A O no hydrogen 3.111 N/A GLU 220.A N ALA 216.A O no hydrogen 3.194 N/A GLU 220.A N ARG 217.A O no hydrogen 3.253 N/A ARG 221.A N ARG 217.A O no hydrogen 2.847 N/A ARG 221.A NE GLU 108.A OE2 no hydrogen 3.171 N/A ARG 221.A NH1 GLU 228.A OE2 no hydrogen 3.080 N/A ARG 221.A NH2 GLU 108.A OE1 no hydrogen 3.253 N/A ARG 221.A NH2 GLU 228.A OE1 no hydrogen 3.041 N/A ARG 221.A NH2 GLU 228.A OE2 no hydrogen 3.383 N/A ALA 222.A N MET 218.A O no hydrogen 2.966 N/A ARG 223.A N GLU 220.A O no hydrogen 2.985 N/A LEU 224.A N GLU 220.A O no hydrogen 2.839 N/A ALA 225.A N ARG 221.A O no hydrogen 2.714 N/A GLU 227.A N LEU 224.A O no hydrogen 3.174 N/A GLU 228.A N LEU 224.A O no hydrogen 3.079 N/A LEU 229.A N ALA 225.A O no hydrogen 2.902 N/A VAL 230.A N PRO 226.A O no hydrogen 3.306 N/A GLY 231.A N GLU 227.A O no hydrogen 3.219 N/A ILE 232.A N GLU 228.A O no hydrogen 3.039 N/A ARG 233.A N LEU 229.A O no hydrogen 2.832 N/A GLU 234.A N VAL 230.A O no hydrogen 2.937 N/A GLU 235.A N GLY 231.A O no hydrogen 3.132 N/A VAL 236.A N ILE 232.A O no hydrogen 2.954 N/A ALA 237.A N ARG 233.A O no hydrogen 2.817 N/A ARG 238.A N GLU 234.A O no hydrogen 2.903 N/A LEU 239.A N GLU 235.A O no hydrogen 2.939 N/A SER 240.A N VAL 236.A O no hydrogen 2.950 N/A ARG 241.A N ALA 237.A O no hydrogen 2.950 N/A GLU 242.A N ARG 238.A O no hydrogen 3.012 N/A SER 243.A N LEU 239.A O no hydrogen 2.901 N/A GLY 244.A N SER 240.A O no hydrogen 2.717 N/A LEU 247.A N SER 243.A O no hydrogen 3.050 N/A LEU 247.A N GLY 244.A O no hydrogen 3.249 N/A ILE 248.A N GLY 244.A O no hydrogen 3.296 N/A ALA 249.A N GLU 245.A O no hydrogen 3.073 N/A LEU 250.A N ALA 246.A O no hydrogen 2.861 N/A TRP 251.A N LEU 247.A O no hydrogen 2.771 N/A TRP 251.A NE1 GLU 60.A OE2 no hydrogen 3.157 N/A THR 252.A N ILE 248.A O no hydrogen 2.951 N/A THR 252.A OG1 ILE 248.A O no hydrogen 2.821 N/A ARG 253.A N ALA 249.A O no hydrogen 3.153 N/A ARG 253.A NE GLU 257.A OE2 no hydrogen 3.002 N/A ARG 253.A NH1 PHE 77.A O no hydrogen 3.047 N/A ARG 253.A NH1 GLY 79.A O no hydrogen 2.656 N/A ARG 253.A NH2 GLY 79.A O no hydrogen 3.253 N/A ARG 253.A NH2 GLU 257.A OE2 no hydrogen 3.416 N/A ALA 254.A N LEU 250.A O no hydrogen 2.922 N/A LYS 255.A N TRP 251.A O no hydrogen 2.757 N/A ASP 256.A N THR 252.A O no hydrogen 3.268 N/A GLU 257.A N ARG 253.A O no hydrogen 2.982 N/A VAL 258.A N ALA 254.A O no hydrogen 2.913 N/A ALA 259.A N LYS 255.A O no hydrogen 3.229 N/A ARG 260.A N ASP 256.A O no hydrogen 2.962 N/A TYR 261.A N GLU 257.A O no hydrogen 2.963 N/A TYR 261.A OH GLU 48.A OE1 no hydrogen 2.359 N/A LYS 262.A N VAL 258.A O no hydrogen 2.787 N/A LYS 262.A NZ GLU 53.A OE2 no hydrogen 2.986 N/A ALA 263.A N ALA 259.A O no hydrogen 2.854 N/A VAL 264.A N ARG 260.A O no hydrogen 3.386 N/A ALA 265.A N TYR 261.A O no hydrogen 3.176 N/A ASP 266.A N LYS 262.A O no hydrogen 2.671 N/A MET 267.A N ALA 263.A O no hydrogen 2.839 N/A ALA 268.A N VAL 264.A O no hydrogen 2.968 N/A ALA 269.A N ASP 266.A O no hydrogen 2.903 N/A GLY 270.A N MET 267.A O no hydrogen 2.972 N/A LYS 271.A N ASP 266.A O no hydrogen 3.089 N/A LYS 271.A NZ TYR 272.A OH no hydrogen 3.515 N/A TYR 272.A OH ASP 297.A OD2 no hydrogen 2.948 N/A ALA 274.A N GLY 8.A O no hydrogen 3.186 N/A LEU 276.A N VAL 6.A O no hydrogen 2.700 N/A MET 277.A N ASP 29.A O no hydrogen 2.759 N/A GLY 278.A N LEU 4.A O no hydrogen 2.966 N/A TRP 279.A N VAL 26.A O no hydrogen 2.834 N/A VAL 280.A N GLU 2.A O no hydrogen 3.149 N/A GLY 286.A N LYS 283.A O no hydrogen 3.369 N/A ARG 294.A N LEU 292.A O no hydrogen 2.630 N/A ARG 296.A NH1 LEU 292.A O no hydrogen 3.393 N/A ASP 297.A N ALA 7.A O no hydrogen 3.177 N/A GLN 298.A N GLN 298.A OE1 no hydrogen 2.905 N/A ILE 299.A N ILE 5.A O no hydrogen 2.872 N/A