Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3hdj_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 3.A ND1 THR 89.A OG1 no hydrogen 2.729 N/A HIS 3.A NE2 ASP 91.A OD1 no hydrogen 2.958 N/A ILE 4.A N THR 89.A O no hydrogen 2.781 N/A ASP 6.A N ASP 91.A OD2 no hydrogen 3.123 N/A GLU 9.A N ASP 6.A O no hydrogen 2.842 N/A ASP 10.A N ALA 7.A O no hydrogen 3.337 N/A VAL 12.A N ILE 8.A O no hydrogen 3.078 N/A ALA 16.A N THR 13.A OG1 no hydrogen 2.963 N/A ALA 17.A N THR 13.A O no hydrogen 2.929 N/A GLN 18.A N PRO 14.A O no hydrogen 2.919 N/A GLN 18.A NE2 GLN 134.A OE1 no hydrogen 2.961 N/A GLU 19.A N GLN 15.A O no hydrogen 3.093 N/A VAL 20.A N ALA 16.A O no hydrogen 2.933 N/A LEU 21.A N ALA 17.A O no hydrogen 2.913 N/A HIS 22.A N GLN 18.A O no hydrogen 2.834 N/A ALA 23.A N GLU 19.A O no hydrogen 3.000 N/A ALA 24.A N VAL 20.A O no hydrogen 3.069 N/A PHE 25.A N LEU 21.A O no hydrogen 2.866 N/A LEU 26.A N HIS 22.A O no hydrogen 3.013 N/A ASP 27.A N ALA 23.A O no hydrogen 3.022 N/A PHE 28.A N ALA 24.A O no hydrogen 2.927 N/A GLY 29.A N PHE 25.A O no hydrogen 2.901 N/A ARG 30.A N LEU 26.A O no hydrogen 3.033 N/A ARG 30.A N ASP 27.A O no hydrogen 3.205 N/A ARG 30.A NH1 ASP 27.A OD1 no hydrogen 2.758 N/A GLY 31.A N PHE 28.A O no hydrogen 3.074 N/A SER 32.A N ASP 27.A O no hydrogen 2.909 N/A SER 32.A OG ASP 27.A O no hydrogen 3.224 N/A ALA 34.A N VAL 53.A O no hydrogen 2.983 N/A GLN 35.A N GLY 51.A O no hydrogen 2.839 N/A ARG 36.A NH1.B GLU 233.A OE2 no hydrogen 3.285 N/A ARG 36.A NH1.B SER 237.A OG no hydrogen 3.317 N/A ARG 36.A NH2.B SER 237.A OG no hydrogen 3.222 N/A ARG 37.A N GLN 234.A OE1 no hydrogen 3.138 N/A ARG 37.A NE GLU 238.A OE1 no hydrogen 3.269 N/A ARG 37.A NE GLU 238.A OE2 no hydrogen 2.828 N/A ARG 37.A NH1 TYR 65.A OH no hydrogen 2.640 N/A ARG 37.A NH2 GLU 238.A OE2 no hydrogen 3.410 N/A ARG 37.A NH2 GLY 282.A O no hydrogen 2.907 N/A VAL 38.A N THR 49.A O no hydrogen 2.960 N/A THR 40.A N LEU 47.A O no hydrogen 2.769 N/A ALA 42.A N VAL 45.A O no hydrogen 3.104 N/A GLY 44.A N GLU 41.A OE2.A no hydrogen 2.850 N/A VAL 45.A N ALA 42.A O no hydrogen 2.891 N/A LYS 46.A N THR 67.A O no hydrogen 2.953 N/A LEU 47.A N THR 40.A O no hydrogen 2.708 N/A SER 48.A N TYR 65.A O no hydrogen 2.854 N/A THR 49.A N VAL 38.A O no hydrogen 2.938 N/A THR 49.A OG1 GLN 35.A OE1 no hydrogen 2.940 N/A LEU 50.A N LYS 63.A O no hydrogen 3.093 N/A GLY 51.A N GLN 35.A O no hydrogen 3.512 N/A ALA 52.A N GLY 61.A O no hydrogen 2.939 N/A VAL 53.A N ALA 34.A O no hydrogen 2.861 N/A ILE 54.A N VAL 59.A O no hydrogen 2.855 N/A GLN 57.A N ILE 54.A O no hydrogen 2.924 N/A GLN 57.A NE2 VAL 20.A O no hydrogen 3.403 N/A GLY 58.A N PRO 55.A O no hydrogen 2.950 N/A VAL 59.A N ILE 54.A O no hydrogen 3.326 N/A ALA 60.A N PHE 79.A O no hydrogen 3.025 N/A GLY 61.A N ALA 52.A O no hydrogen 2.894 N/A ALA 62.A N LEU 77.A O no hydrogen 3.096 N/A LYS 63.A N LEU 50.A O no hydrogen 2.845 N/A LYS 63.A NZ ASP 287.A OD1.A no hydrogen 2.768 N/A LYS 63.A NZ ASP 287.A OD2.B no hydrogen 3.050 N/A VAL 64.A N VAL 75.A O no hydrogen 2.821 N/A TYR 65.A N SER 48.A O no hydrogen 3.068 N/A THR 66.A N GLN 73.A O no hydrogen 3.027 N/A THR 67.A N LYS 46.A O no hydrogen 2.915 N/A ILE 68.A N GLN 71.A O no hydrogen 2.948 N/A GLN 71.A N ILE 68.A O no hydrogen 2.982 N/A GLN 73.A N THR 66.A O no hydrogen 3.089 N/A VAL 75.A N VAL 64.A O no hydrogen 2.876 N/A ILE 76.A N CYS 90.A O no hydrogen 3.086 N/A LEU 77.A N ALA 62.A O no hydrogen 2.823 N/A LEU 78.A N ALA 88.A O no hydrogen 2.913 N/A PHE 79.A N ALA 60.A O no hydrogen 2.705 N/A SER 80.A N ARG 85.A O no hydrogen 2.813 N/A SER 80.A OG ASP 83.A OD1 no hydrogen 3.297 N/A SER 80.A OG PRO 307.A O no hydrogen 2.555 N/A ALA 81.A N GLY 58.A O no hydrogen 2.929 N/A ALA 82.A N SER 80.A OG no hydrogen 3.143 N/A ASP 83.A N SER 80.A OG no hydrogen 3.258 N/A GLY 84.A N SER 80.A O no hydrogen 2.767 N/A ARG 85.A N ASP 83.A OD1 no hydrogen 3.067 N/A ARG 85.A NH1 ALA 306.A O no hydrogen 2.733 N/A ARG 85.A NH2 ASP 83.A OD1 no hydrogen 3.272 N/A ARG 85.A NH2 ASP 83.A OD2 no hydrogen 3.103 N/A ARG 85.A NH2 PRO 307.A O no hydrogen 2.918 N/A LEU 87.A N LEU 78.A O no hydrogen 2.722 N/A THR 89.A N LEU 2.A O no hydrogen 2.863 N/A THR 89.A OG1 LEU 2.A O no hydrogen 3.473 N/A THR 89.A OG1 HIS 3.A ND1 no hydrogen 2.729 N/A CYS 90.A N ILE 76.A O no hydrogen 2.860 N/A CYS 90.A SG ILE 4.A O no hydrogen 3.938 N/A CYS 90.A SG ASP 91.A O no hydrogen 3.426 N/A ASP 91.A N ILE 4.A O no hydrogen 2.823 N/A THR 94.A N ASP 6.A OD1 no hydrogen 2.796 N/A THR 94.A OG1 GLU 9.A OE2.A no hydrogen 3.065 N/A THR 94.A OG1 GLU 9.A OE2.B no hydrogen 3.148 N/A THR 96.A N ALA 92.A O no hydrogen 2.850 N/A THR 96.A OG1 ALA 92.A O no hydrogen 2.761 N/A ARG 97.A N GLY 93.A O no hydrogen 3.077 N/A ARG 97.A NE GLU 130.A OE1 no hydrogen 2.708 N/A ARG 97.A NH1 GLU 9.A OE1.A no hydrogen 3.010 N/A ARG 97.A NH1 GLU 130.A OE1 no hydrogen 3.272 N/A ARG 97.A NH2 GLU 9.A OE2.A no hydrogen 2.851 N/A LYS 98.A N THR 94.A O no hydrogen 2.955 N/A LYS 98.A NZ VAL 12.A O no hydrogen 2.903 N/A ARG 99.A N LEU 95.A O no hydrogen 2.809 N/A ARG 99.A NE ASP 287.A OD1.B no hydrogen 3.208 N/A ARG 99.A NE ASP 287.A OD2.B no hydrogen 3.377 N/A ARG 99.A NH1 ASP 287.A OD2.B no hydrogen 2.860 N/A THR 100.A N THR 96.A O no hydrogen 2.941 N/A THR 100.A OG1 THR 96.A O no hydrogen 2.915 N/A ALA 101.A N ARG 97.A O no hydrogen 3.485 N/A ALA 102.A N LYS 98.A O no hydrogen 2.940 N/A CYS 103.A N ARG 99.A O no hydrogen 2.928 N/A CYS 103.A SG ARG 99.A O no hydrogen 3.521 N/A CYS 103.A SG GLU 286.A OE2 no hydrogen 3.497 N/A THR 104.A N THR 100.A O no hydrogen 3.087 N/A THR 104.A OG1 THR 100.A O no hydrogen 2.964 N/A THR 104.A OG1 HIS 131.A NE2 no hydrogen 2.845 N/A VAL 105.A N ALA 101.A O no hydrogen 2.805 N/A LEU 106.A N ALA 102.A O no hydrogen 2.984 N/A ALA 107.A N CYS 103.A O no hydrogen 2.983 N/A ALA 108.A N THR 104.A O no hydrogen 2.761 N/A GLY 109.A N VAL 105.A O no hydrogen 2.814 N/A ALA 110.A N LEU 106.A O no hydrogen 3.265 N/A LEU 111.A N ALA 107.A O no hydrogen 2.933 N/A LEU 111.A N ALA 108.A O no hydrogen 3.208 N/A ALA 112.A N ALA 108.A O no hydrogen 2.805 N/A ARG 113.A NH1 ASP 179.A OD1 no hydrogen 2.687 N/A SER 116.A N ARG 113.A O no hydrogen 2.958 N/A SER 116.A OG ARG 113.A O no hydrogen 2.717 N/A SER 117.A N ASP 179.A OD2 no hydrogen 3.121 N/A VAL 118.A N ASP 179.A OD2 no hydrogen 3.235 N/A LEU 119.A N ALA 143.A O no hydrogen 3.114 N/A GLY 120.A N ILE 180.A O no hydrogen 2.719 N/A LEU 121.A N LEU 145.A O no hydrogen 2.817 N/A PHE 122.A N VAL 182.A O no hydrogen 2.916 N/A GLY 123.A N HIS 147.A O no hydrogen 2.895 N/A ALA 124.A N ASP 148.A OD2 no hydrogen 2.853 N/A GLN 127.A NE2.A ARG 97.A O no hydrogen 3.669 N/A ALA 129.A N GLY 125.A O no hydrogen 2.894 N/A GLU 130.A N THR 126.A O no hydrogen 3.013 N/A HIS 131.A N GLN 127.A O no hydrogen 3.016 N/A HIS 131.A ND1 GLN 127.A O no hydrogen 3.011 N/A HIS 131.A NE2 THR 104.A OG1 no hydrogen 2.845 N/A ALA 132.A N GLY 128.A O no hydrogen 2.891 N/A ALA 133.A N ALA 129.A O no hydrogen 3.000 N/A GLN 134.A N GLU 130.A O no hydrogen 2.955 N/A GLN 134.A NE2 LYS 98.A O no hydrogen 3.358 N/A GLN 134.A NE2 GLU 130.A OE2 no hydrogen 2.947 N/A LEU 135.A N HIS 131.A O no hydrogen 2.886 N/A SER 136.A N ALA 132.A O no hydrogen 2.883 N/A SER 136.A OG ALA 132.A O no hydrogen 2.766 N/A ALA 137.A N ALA 133.A O no hydrogen 3.271 N/A ALA 137.A N GLN 134.A O no hydrogen 3.255 N/A ARG 138.A N LEU 135.A O no hydrogen 3.020 N/A ARG 138.A NH1 ARG 138.A O no hydrogen 2.876 N/A PHE 139.A N LEU 135.A O no hydrogen 2.882 N/A LEU 141.A N PHE 139.A O no hydrogen 2.983 N/A GLU 142.A N SER 117.A O no hydrogen 2.672 N/A ALA 143.A N SER 117.A O no hydrogen 3.292 N/A ILE 144.A N PRO 166.A O no hydrogen 2.938 N/A LEU 145.A N LEU 119.A O no hydrogen 2.833 N/A VAL 146.A N ARG 168.A O no hydrogen 2.795 N/A HIS 147.A N LEU 121.A O no hydrogen 2.862 N/A TYR 150.A N ASP 148.A OD1 no hydrogen 2.793 N/A ALA 151.A N ASP 148.A O no hydrogen 3.076 N/A ILE 155.A N SER 152.A OG no hydrogen 3.208 N/A LEU 156.A N SER 152.A O no hydrogen 2.998 N/A GLU 157.A N PRO 153.A O no hydrogen 2.978 N/A ARG 158.A N GLU 154.A O no hydrogen 3.015 N/A ARG 158.A NH2.A GLU 154.A OE1 no hydrogen 2.641 N/A ILE 159.A N ILE 155.A O no hydrogen 2.880 N/A GLY 160.A N LEU 156.A O no hydrogen 2.837 N/A ARG 161.A N GLU 157.A O no hydrogen 2.830 N/A ARG 162.A N ARG 158.A O no hydrogen 2.959 N/A ARG 162.A NH2 GLU 130.A OE1 no hydrogen 2.893 N/A CYS 163.A N ILE 159.A O no hydrogen 2.890 N/A CYS 163.A SG ILE 159.A O no hydrogen 3.350 N/A GLY 164.A N GLY 160.A O no hydrogen 2.779 N/A VAL 165.A N GLY 160.A O no hydrogen 3.239 N/A ARG 168.A N ILE 144.A O no hydrogen 2.814 N/A ASP 173.A N ALA 170.A O no hydrogen 2.825 N/A ILE 174.A N ALA 170.A O no hydrogen 2.943 N/A ALA 175.A N PRO 171.A O no hydrogen 3.101 N/A ALA 176.A N ALA 172.A O no hydrogen 3.269 N/A GLN 177.A N ASP 173.A O no hydrogen 3.092 N/A GLN 177.A N ILE 174.A O no hydrogen 3.231 N/A ALA 178.A N ILE 174.A O no hydrogen 2.963 N/A ASP 179.A N VAL 118.A O no hydrogen 2.840 N/A ILE 180.A N VAL 118.A O no hydrogen 3.258 N/A VAL 181.A N PHE 202.A O no hydrogen 2.883 N/A VAL 182.A N GLY 120.A O no hydrogen 2.898 N/A THR 183.A N GLY 204.A O no hydrogen 2.959 N/A THR 183.A OG1 GLU 215.A OE1 no hydrogen 2.818 N/A ALA 184.A N PHE 122.A O no hydrogen 2.898 N/A THR 185.A N GLU 215.A OE2 no hydrogen 2.775 N/A THR 185.A OG1 GLU 215.A OE2 no hydrogen 2.679 N/A SER 187.A N THR 185.A OG1 no hydrogen 3.055 N/A SER 187.A OG THR 189.A O no hydrogen 2.736 N/A THR 189.A N SER 187.A OG no hydrogen 3.302 N/A LEU 191.A N GLU 215.A O no hydrogen 2.812 N/A GLY 194.A N ASP 217.A OD2 no hydrogen 2.914 N/A GLN 195.A NE2 GLU 219.A OE2 no hydrogen 2.644 N/A ALA 196.A N ALA 193.A O no hydrogen 2.817 N/A LEU 197.A N GLY 194.A O no hydrogen 3.173 N/A ARG 198.A N ALA 175.A O no hydrogen 3.008 N/A ARG 198.A NE.B GLN 177.A O no hydrogen 2.837 N/A ARG 198.A NH1.A ALA 176.A O no hydrogen 2.941 N/A ARG 198.A NH2.B GLN 177.A O no hydrogen 3.166 N/A GLY 200.A N GLU 273.A O no hydrogen 2.874 N/A ALA 201.A N ARG 198.A O no hydrogen 3.161 N/A PHE 202.A N ASP 179.A O no hydrogen 2.981 N/A VAL 203.A N VAL 276.A O no hydrogen 2.857 N/A GLY 204.A N VAL 181.A O no hydrogen 2.722 N/A ALA 205.A N TYR 278.A O no hydrogen 2.839 N/A ILE 206.A N THR 183.A O no hydrogen 2.847 N/A GLY 207.A N THR 183.A O no hydrogen 3.066 N/A LEU 210.A N SER 208.A OG no hydrogen 2.953 N/A THR 213.A OG1 SER 208.A O no hydrogen 3.169 N/A THR 213.A OG1 LEU 210.A O no hydrogen 2.691 N/A ARG 214.A N SER 187.A O no hydrogen 2.956 N/A ARG 214.A NE LEU 216.A O no hydrogen 3.088 N/A ARG 214.A NH1 LEU 216.A O no hydrogen 2.729 N/A ARG 214.A NH1 ASP 241.A OD1 no hydrogen 2.766 N/A ALA 220.A N ASP 217.A OD1 no hydrogen 2.921 N/A LEU 221.A N ASP 217.A O no hydrogen 3.479 N/A ARG 222.A N ASP 218.A O no hydrogen 2.818 N/A ARG 223.A N GLU 219.A O no hydrogen 2.811 N/A ARG 223.A NE GLY 194.A O no hydrogen 3.449 N/A ARG 223.A NH1 GLY 194.A O no hydrogen 2.999 N/A ARG 223.A NH1 LEU 197.A O no hydrogen 2.561 N/A ALA 224.A N ALA 220.A O no hydrogen 3.027 N/A ARG 225.A N ILE 275.A O no hydrogen 2.711 N/A ARG 225.A NH1 ASP 274.A OD1 no hydrogen 3.052 N/A ARG 225.A NH1 ASP 274.A OD2 no hydrogen 3.498 N/A VAL 227.A N LYS 254.A O no hydrogen 3.012 N/A VAL 228.A N ILE 277.A O no hydrogen 2.668 N/A VAL 229.A N VAL 256.A O no hydrogen 2.889 N/A ARG 232.A N GLU 257.A OE2 no hydrogen 2.696 N/A GLN 234.A NE2 GLU 238.A OE2 no hydrogen 2.749 N/A THR 235.A N TRP 231.A O no hydrogen 3.104 N/A THR 235.A OG1 TRP 231.A O no hydrogen 3.345 N/A LEU 236.A N ARG 232.A O no hydrogen 3.433 N/A SER 237.A N GLN 234.A O no hydrogen 2.908 N/A SER 237.A OG GLU 233.A O no hydrogen 3.319 N/A GLU 238.A N GLN 234.A O no hydrogen 2.834 N/A VAL 243.A N ALA 239.A O no hydrogen 3.291 N/A LEU 244.A N GLY 240.A O no hydrogen 3.141 N/A ALA 245.A N ASP 241.A O no hydrogen 3.082 N/A THR 249.A N ALA 246.A O no hydrogen 3.174 N/A THR 249.A OG1 ALA 246.A O no hydrogen 2.969 N/A LEU 251.A N THR 249.A OG1 no hydrogen 3.312 N/A LYS 254.A N LEU 251.A O no hydrogen 2.947 N/A LYS 254.A NZ LEU 221.A O no hydrogen 2.721 N/A LYS 254.A NZ ARG 222.A O no hydrogen 2.914 N/A LYS 254.A NZ THR 249.A O no hydrogen 3.124 N/A VAL 255.A N ASP 252.A O no hydrogen 3.366 N/A VAL 256.A N VAL 227.A O no hydrogen 2.890 N/A LEU 258.A N VAL 229.A O no hydrogen 2.783 N/A VAL 261.A N GLU 257.A O no hydrogen 3.166 N/A LEU 262.A N LEU 258.A O no hydrogen 2.856 N/A ALA 263.A N ALA 259.A O no hydrogen 2.900 N/A GLY 264.A N VAL 261.A O no hydrogen 3.000 N/A ARG 265.A N ASP 260.A O no hydrogen 2.817 N/A ARG 265.A NE ASP 260.A OD1 no hydrogen 2.908 N/A ARG 265.A NH2 ASP 260.A OD1 no hydrogen 3.031 N/A ALA 266.A N ASP 260.A O no hydrogen 3.238 N/A ARG 269.A NE LEU 111.A O no hydrogen 2.929 N/A ARG 269.A NH1 ALA 271.A O no hydrogen 3.042 N/A ARG 269.A NH1 ASP 274.A O no hydrogen 2.896 N/A ARG 269.A NH2 LEU 111.A O no hydrogen 2.805 N/A ARG 269.A NH2 GLY 200.A O no hydrogen 3.106 N/A ARG 269.A NH2 ASP 274.A O no hydrogen 3.297 N/A GLN 270.A N ASP 274.A OD2 no hydrogen 2.818 N/A ALA 271.A N ASP 274.A OD2 no hydrogen 3.051 N/A ASP 274.A N ALA 271.A O no hydrogen 3.138 N/A VAL 276.A N ALA 201.A O no hydrogen 2.967 N/A ILE 277.A N ALA 226.A O no hydrogen 3.108 N/A TYR 278.A N VAL 203.A O no hydrogen 2.726 N/A LYS 279.A N VAL 228.A O no hydrogen 2.934 N/A LYS 279.A NZ ALA 205.A O no hydrogen 3.271 N/A LYS 279.A NZ ILE 206.A O no hydrogen 3.502 N/A LYS 279.A NZ SER 280.A O no hydrogen 3.177 N/A SER 280.A N ALA 205.A O no hydrogen 3.008 N/A VAL 281.A N GLU 230.A OE2 no hydrogen 2.636 N/A GLY 282.A N GLU 230.A OE1 no hydrogen 3.171 N/A GLY 282.A N GLU 230.A OE2 no hydrogen 3.135 N/A VAL 283.A N GLU 286.A OE1 no hydrogen 3.231 N/A GLU 286.A N VAL 283.A O no hydrogen 3.079 N/A VAL 288.A N GLY 284.A O no hydrogen 3.347 N/A ALA 289.A N LEU 285.A O no hydrogen 3.012 N/A LEU 290.A N GLU 286.A O no hydrogen 3.064 N/A ALA 291.A N ASP 287.A O no hydrogen 2.954 N/A GLY 292.A N VAL 288.A O no hydrogen 2.898 N/A TYR 293.A N ALA 289.A O no hydrogen 3.074 N/A ALA 294.A N LEU 290.A O no hydrogen 2.927 N/A TYR 295.A N ALA 291.A O no hydrogen 2.870 N/A TYR 295.A OH PRO 305.A O no hydrogen 2.757 N/A ARG 296.A N GLY 292.A O no hydrogen 2.863 N/A ARG 296.A NH2.B GLN 57.A O no hydrogen 3.052 N/A ARG 297.A N TYR 293.A O no hydrogen 2.873 N/A ARG 297.A NH1.B ALA 11.A O no hydrogen 3.538 N/A LEU 298.A N ALA 294.A O no hydrogen 2.797 N/A ALA 299.A N TYR 295.A O no hydrogen 2.748 N/A ALA 300.A N ARG 296.A O no hydrogen 3.132 N/A GLN 301.A N ARG 297.A O no hydrogen 3.143 N/A ARG 302.A N LEU 298.A O no hydrogen 2.792 N/A ARG 302.A N ALA 299.A O no hydrogen 3.175 N/A ARG 302.A NE GLN 301.A OE1.A no hydrogen 3.163 N/A TRP 304.A N ALA 299.A O no hydrogen 3.100 N/A