Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3hjw_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 3.A N ASP 6.A OD2 no hydrogen 3.181 N/A ASP 6.A N LEU 3.A O no hydrogen 2.909 N/A ILE 7.A N PRO 4.A O no hydrogen 3.428 N/A ARG 9.A NH2 HIS 242.A O no hydrogen 2.803 N/A LEU 12.A N LEU 270.A O no hydrogen 2.623 N/A LYS 14.A N ALA 268.A O no hydrogen 2.877 N/A LYS 14.A NZ MET 302.A O no hydrogen 2.779 N/A LYS 14.A NZ LEU 303.A O no hydrogen 3.189 N/A LYS 14.A NZ LYS 305.A O no hydrogen 2.752 N/A ASP 15.A N ALA 268.A O no hydrogen 2.959 N/A ASN 17.A N ASP 15.A OD1 no hydrogen 3.193 N/A ALA 18.A N ASP 15.A O no hydrogen 3.346 N/A THR 20.A OG1 ASP 250.A OD1 no hydrogen 2.713 N/A THR 20.A OG1 ASP 250.A OD2 no hydrogen 3.442 N/A ASN 21.A N ASP 250.A OD2 no hydrogen 2.815 N/A TRP 24.A N ASN 21.A O no hydrogen 2.855 N/A GLY 25.A N TRP 322.A O no hydrogen 3.066 N/A PHE 26.A N GLU 288.A OE1 no hydrogen 2.834 N/A LYS 30.A N PRO 28.A O no hydrogen 3.017 N/A LYS 30.A NZ PRO 22.A O no hydrogen 3.266 N/A LYS 30.A NZ GLY 25.A O no hydrogen 2.899 N/A ARG 31.A N PRO 28.A O no hydrogen 3.186 N/A ARG 31.A NE PHE 26.A O no hydrogen 2.906 N/A ARG 31.A NH1 GLU 237.A OE1 no hydrogen 2.974 N/A ARG 31.A NH2 PHE 26.A O no hydrogen 3.270 N/A ARG 31.A NH2 GLU 237.A OE1 no hydrogen 3.490 N/A ARG 31.A NH2 GLU 237.A OE2 no hydrogen 2.842 N/A MET 35.A N PRO 32.A O no hydrogen 2.912 N/A HIS 36.A N PRO 32.A O no hydrogen 2.898 N/A ILE 37.A N ILE 33.A O no hydrogen 2.966 N/A GLN 38.A N GLU 34.A O no hydrogen 3.178 N/A PHE 39.A N MET 35.A O no hydrogen 3.095 N/A PHE 39.A N HIS 36.A O no hydrogen 3.241 N/A GLY 40.A N ILE 37.A O no hydrogen 2.994 N/A VAL 41.A N GLN 234.A O no hydrogen 2.713 N/A ILE 42.A N VAL 84.A O no hydrogen 2.654 N/A LEU 44.A N LEU 82.A O no hydrogen 3.156 N/A ASP 45.A N ILE 208.A O no hydrogen 2.774 N/A LYS 46.A N GLY 80.A O no hydrogen 2.830 N/A LYS 46.A NZ PRO 47.A O no hydrogen 3.015 N/A LYS 46.A NZ PRO 50.A O no hydrogen 3.016 N/A LYS 46.A NZ ASP 75.A O no hydrogen 3.003 N/A LYS 46.A NZ PRO 76.A O no hydrogen 3.047 N/A LYS 46.A NZ VAL 78.A O no hydrogen 2.928 N/A GLY 49.A N PRO 76.A O no hydrogen 2.662 N/A THR 51.A N GLU 54.A OE2 no hydrogen 2.843 N/A THR 51.A OG1 GLU 54.A OE2 no hydrogen 3.064 N/A SER 52.A OG LEU 74.A O no hydrogen 2.841 N/A GLU 54.A N THR 51.A OG1 no hydrogen 3.321 N/A VAL 55.A N THR 51.A O no hydrogen 3.211 N/A VAL 56.A N SER 52.A O no hydrogen 3.253 N/A ALA 57.A N HIS 53.A O no hydrogen 3.010 N/A TRP 58.A N GLU 54.A O no hydrogen 2.835 N/A ILE 59.A N VAL 55.A O no hydrogen 2.981 N/A LYS 60.A N VAL 56.A O no hydrogen 2.823 N/A LYS 60.A NZ GLU 66.A O no hydrogen 3.553 N/A LYS 61.A N ALA 57.A O no hydrogen 3.265 N/A ILE 62.A N TRP 58.A O no hydrogen 2.957 N/A LEU 63.A N ILE 59.A O no hydrogen 2.888 N/A ASN 64.A ND2 ILE 62.A O no hydrogen 3.580 N/A LEU 65.A N LYS 60.A O no hydrogen 2.854 N/A GLU 66.A N GLU 87.A OE2 no hydrogen 2.977 N/A LYS 67.A N GLU 87.A OE1 no hydrogen 2.960 N/A GLY 69.A N ALA 85.A O no hydrogen 2.918 N/A HIS 70.A ND1 GLY 71.A O no hydrogen 2.592 N/A GLY 71.A N PRO 83.A O no hydrogen 3.022 N/A LEU 74.A N SER 52.A OG no hydrogen 2.897 N/A VAL 78.A N ASP 75.A O no hydrogen 3.045 N/A GLY 80.A N LYS 46.A O no hydrogen 2.999 N/A VAL 81.A N ARG 195.A O no hydrogen 2.965 N/A LEU 82.A N LEU 44.A O no hydrogen 2.743 N/A VAL 84.A N ILE 42.A O no hydrogen 2.859 N/A ALA 85.A N GLY 69.A O no hydrogen 2.882 N/A LEU 86.A N GLY 40.A O no hydrogen 2.854 N/A GLU 87.A N LYS 67.A O no hydrogen 2.740 N/A LYS 88.A NZ GLN 38.A OE1 no hydrogen 2.673 N/A ALA 89.A N LEU 86.A O no hydrogen 2.785 N/A THR 90.A N GLU 87.A O no hydrogen 3.046 N/A THR 90.A OG1 GLU 87.A O no hydrogen 2.676 N/A ARG 91.A NH2 VAL 316.A O no hydrogen 2.855 N/A VAL 92.A N ALA 89.A O no hydrogen 3.062 N/A VAL 93.A N THR 90.A O no hydrogen 3.374 N/A GLN 94.A N ARG 91.A O no hydrogen 3.258 N/A GLN 94.A NE2 ARG 91.A O no hydrogen 2.732 N/A ALA 95.A N VAL 92.A O no hydrogen 2.802 N/A LEU 96.A N VAL 93.A O no hydrogen 2.745 N/A LEU 97.A N VAL 93.A O no hydrogen 2.781 N/A ALA 99.A N LEU 96.A O no hydrogen 2.649 N/A LYS 101.A N VAL 167.A O no hydrogen 2.749 N/A LYS 101.A NZ LEU 97.A O no hydrogen 3.189 N/A LYS 101.A NZ ALA 99.A O no hydrogen 3.041 N/A LYS 101.A NZ SER 198.A OG no hydrogen 3.339 N/A GLU 102.A N ARG 197.A O no hydrogen 2.932 N/A TYR 103.A N VAL 165.A O no hydrogen 2.883 N/A VAL 104.A N ARG 194.A O no hydrogen 2.884 N/A ALA 105.A N PHE 163.A O no hydrogen 2.761 N/A LEU 106.A N GLU 192.A O no hydrogen 2.886 N/A MET 107.A N VAL 161.A O no hydrogen 2.801 N/A HIS 108.A N HIS 189.A O no hydrogen 2.755 N/A HIS 108.A ND1 ASP 160.A OD2 no hydrogen 2.736 N/A LEU 109.A N ARG 159.A O no hydrogen 2.738 N/A HIS 110.A N GLY 187.A O no hydrogen 2.944 N/A HIS 110.A NE2 HIS 189.A ND1 no hydrogen 2.919 N/A ILE 118.A N PRO 114.A O no hydrogen 3.282 N/A ILE 119.A N GLU 115.A O no hydrogen 3.280 N/A GLN 120.A N ASP 116.A O no hydrogen 3.050 N/A VAL 121.A N LYS 117.A O no hydrogen 2.854 N/A MET 122.A N ILE 118.A O no hydrogen 3.014 N/A LYS 123.A N ILE 119.A O no hydrogen 3.038 N/A GLU 124.A N VAL 121.A O no hydrogen 3.028 N/A PHE 125.A N MET 122.A O no hydrogen 3.088 N/A GLU 126.A N LYS 123.A O no hydrogen 3.340 N/A GLY 127.A N VAL 148.A O no hydrogen 2.919 N/A ILE 129.A N ARG 146.A O no hydrogen 2.862 N/A GLN 131.A N ARG 144.A O no hydrogen 2.876 N/A SER 137.A OG VAL 139.A O no hydrogen 3.335 N/A ARG 141.A NE PRO 133.A O no hydrogen 2.776 N/A ARG 141.A NH2 PRO 133.A O no hydrogen 3.301 N/A ARG 142.A N LYS 140.A O no hydrogen 2.809 N/A ARG 144.A N GLN 131.A O no hydrogen 2.870 N/A ARG 144.A NH2 GLY 170.A O no hydrogen 2.827 N/A THR 145.A OG1 GLU 128.A OE2 no hydrogen 3.390 N/A THR 145.A OG1 ILE 129.A O no hydrogen 3.476 N/A ARG 146.A N ILE 129.A O no hydrogen 2.894 N/A ARG 146.A NE THR 145.A O no hydrogen 2.949 N/A ARG 146.A NH2 THR 145.A O no hydrogen 3.422 N/A LYS 147.A N GLU 168.A OE2 no hydrogen 2.747 N/A VAL 148.A N GLY 127.A O no hydrogen 2.835 N/A TYR 149.A N GLY 166.A O no hydrogen 2.683 N/A TYR 150.A N GLY 166.A O no hydrogen 3.438 N/A TYR 150.A OH GLU 102.A OE1 no hydrogen 2.378 N/A ILE 151.A N GLU 126.A OE1 no hydrogen 2.994 N/A GLU 152.A N ARG 164.A O no hydrogen 2.780 N/A LEU 154.A N LEU 162.A O no hydrogen 2.813 N/A GLU 155.A N LEU 162.A O no hydrogen 3.344 N/A GLU 157.A N ASP 160.A O no hydrogen 2.830 N/A ARG 159.A NE ASP 112.A OD1 no hydrogen 2.735 N/A ARG 159.A NH2 ASP 112.A OD1 no hydrogen 3.523 N/A ARG 159.A NH2 ASP 112.A OD2 no hydrogen 3.165 N/A ASP 160.A N GLU 157.A O no hydrogen 3.087 N/A VAL 161.A N MET 107.A O no hydrogen 2.821 N/A LEU 162.A N GLU 155.A O no hydrogen 2.832 N/A PHE 163.A N ALA 105.A O no hydrogen 2.925 N/A ARG 164.A N GLU 152.A O no hydrogen 2.699 N/A ARG 164.A NH1 GLU 102.A OE2 no hydrogen 2.431 N/A VAL 165.A N TYR 103.A O no hydrogen 2.821 N/A GLY 166.A N TYR 150.A O no hydrogen 2.950 N/A VAL 167.A N LYS 101.A O no hydrogen 2.783 N/A GLU 168.A N LYS 147.A O no hydrogen 2.925 N/A THR 171.A OG1 GLU 168.A O no hydrogen 2.804 N/A ARG 174.A NH1 MET 190.A O no hydrogen 3.458 N/A LEU 176.A N TYR 172.A O no hydrogen 3.355 N/A ILE 177.A N ILE 173.A O no hydrogen 3.038 N/A HIS 178.A N ARG 174.A O no hydrogen 2.971 N/A HIS 179.A N SER 175.A O no hydrogen 3.105 N/A ILE 180.A N LEU 176.A O no hydrogen 3.035 N/A GLY 181.A N ILE 177.A O no hydrogen 2.974 N/A LEU 182.A N HIS 178.A O no hydrogen 3.051 N/A ALA 183.A N HIS 179.A O no hydrogen 2.940 N/A LEU 184.A N ILE 180.A O no hydrogen 2.933 N/A GLY 185.A N LEU 182.A O no hydrogen 2.957 N/A GLY 187.A N GLY 181.A O no hydrogen 2.896 N/A HIS 189.A N HIS 108.A O no hydrogen 2.970 N/A HIS 189.A ND1 HIS 110.A NE2 no hydrogen 2.919 N/A SER 191.A N LEU 106.A O no hydrogen 2.911 N/A SER 191.A OG LEU 106.A O no hydrogen 3.180 N/A ARG 194.A N VAL 104.A O no hydrogen 2.961 N/A ARG 194.A NH1 ASP 45.A OD1 no hydrogen 2.945 N/A ARG 194.A NH1 SER 79.A OG no hydrogen 2.941 N/A ARG 194.A NH2 ASP 45.A OD1 no hydrogen 3.443 N/A ARG 194.A NH2 ASP 45.A OD2 no hydrogen 3.039 N/A ARG 194.A NH2 GLU 203.A OE2 no hydrogen 2.905 N/A ARG 195.A N SER 79.A O no hydrogen 2.933 N/A ARG 195.A NE TYR 103.A OH no hydrogen 3.540 N/A ARG 195.A NH1 GLY 72.A O no hydrogen 3.100 N/A ARG 195.A NH1 VAL 81.A O no hydrogen 2.864 N/A ARG 195.A NH2 GLY 72.A O no hydrogen 2.945 N/A THR 196.A N GLU 102.A O no hydrogen 2.851 N/A THR 196.A OG1 GLU 102.A OE2 no hydrogen 2.721 N/A ARG 197.A N GLU 102.A O no hydrogen 3.307 N/A ARG 197.A NE GLY 199.A O no hydrogen 2.679 N/A ARG 197.A NH1 ASP 6.A OD1 no hydrogen 3.207 N/A ARG 197.A NH1 ASP 6.A OD2 no hydrogen 2.927 N/A ARG 197.A NH2 ASP 6.A OD1 no hydrogen 2.922 N/A ARG 197.A NH2 GLY 199.A O no hydrogen 3.344 N/A SER 198.A N PHE 201.A O no hydrogen 2.811 N/A GLY 199.A N GLY 100.A O no hydrogen 3.001 N/A PHE 201.A N SER 198.A O no hydrogen 2.787 N/A THR 206.A N ASP 204.A OD1 no hydrogen 3.025 N/A THR 206.A OG1 ASN 43.A OD1 no hydrogen 2.983 N/A THR 206.A OG1 ASP 204.A OD1 no hydrogen 2.534 N/A LEU 207.A N ASP 204.A O no hydrogen 3.191 N/A ILE 208.A N ASN 43.A O no hydrogen 2.832 N/A ASP 212.A N THR 209.A OG1 no hydrogen 3.245 N/A LEU 213.A N THR 209.A O no hydrogen 2.879 N/A VAL 214.A N LEU 210.A O no hydrogen 2.836 N/A ASP 215.A N HIS 211.A O no hydrogen 2.929 N/A TYR 216.A N ASP 212.A O no hydrogen 2.896 N/A TYR 217.A N LEU 213.A O no hydrogen 3.088 N/A TYR 218.A N VAL 214.A O no hydrogen 2.965 N/A PHE 219.A N ASP 215.A O no hydrogen 2.880 N/A TRP 220.A N TYR 216.A O no hydrogen 3.074 N/A LYS 221.A N TYR 217.A O no hydrogen 2.732 N/A GLU 222.A N TYR 218.A O no hydrogen 2.759 N/A ASP 223.A N PHE 219.A O no hydrogen 3.206 N/A GLY 224.A N TRP 220.A O no hydrogen 3.002 N/A ILE 225.A N PHE 219.A O no hydrogen 2.901 N/A ARG 230.A N GLU 226.A O no hydrogen 3.054 N/A ARG 230.A NE GLU 29.A OE1 no hydrogen 2.662 N/A ARG 230.A NE GLU 29.A OE2 no hydrogen 3.283 N/A ARG 230.A NH1 ARG 31.A O no hydrogen 2.850 N/A ARG 230.A NH1 GLU 226.A OE2 no hydrogen 3.141 N/A ARG 230.A NH2 GLU 29.A OE1 no hydrogen 3.185 N/A ARG 230.A NH2 GLU 29.A OE2 no hydrogen 3.323 N/A ARG 230.A NH2 ARG 31.A O no hydrogen 2.564 N/A LYS 231.A N GLU 227.A O no hydrogen 3.215 N/A ALA 232.A N TYR 228.A O no hydrogen 2.982 N/A ILE 233.A N ARG 230.A O no hydrogen 3.414 N/A GLN 234.A N VAL 41.A O no hydrogen 2.743 N/A GLN 234.A NE2 LYS 231.A O no hydrogen 2.916 N/A MET 236.A N PHE 39.A O no hydrogen 2.858 N/A GLU 237.A N GLU 237.A OE1 no hydrogen 2.986 N/A LYS 238.A N PRO 235.A O no hydrogen 3.011 N/A ALA 239.A N MET 236.A O no hydrogen 3.044 N/A VAL 240.A N GLU 237.A O no hydrogen 2.875 N/A GLU 241.A N LYS 238.A O no hydrogen 3.140 N/A HIS 242.A N HIS 242.A ND1 no hydrogen 2.867 N/A HIS 242.A NE2 ALA 95.A O no hydrogen 2.848 N/A LEU 243.A N VAL 240.A O no hydrogen 3.086 N/A LYS 245.A N HIS 271.A ND1 no hydrogen 2.961 N/A VAL 246.A N ALA 281.A O no hydrogen 3.013 N/A TRP 247.A N LYS 269.A O no hydrogen 2.718 N/A TRP 247.A NE1 ASP 287.A OD1 no hydrogen 3.055 N/A ILE 248.A N MET 283.A O no hydrogen 2.844 N/A LYS 249.A N GLY 266.A O no hydrogen 2.797 N/A LYS 249.A NZ ASP 15.A OD2 no hydrogen 3.288 N/A LYS 249.A NZ PRO 265.A O no hydrogen 2.926 N/A ALA 252.A N LYS 249.A O no hydrogen 2.936 N/A VAL 253.A N ASP 250.A O no hydrogen 3.386 N/A VAL 256.A N ALA 252.A O no hydrogen 3.065 N/A THR 257.A N VAL 253.A O no hydrogen 2.944 N/A THR 257.A OG1 ALA 254.A O no hydrogen 2.757 N/A HIS 258.A N ALA 254.A O no hydrogen 3.000 N/A HIS 258.A N ALA 255.A O no hydrogen 2.785 N/A GLY 259.A N VAL 256.A O no hydrogen 2.968 N/A ALA 260.A N ALA 255.A O no hydrogen 2.960 N/A LEU 262.A N VAL 311.A O no hydrogen 2.967 N/A VAL 264.A N GLY 308.A O no hydrogen 3.069 N/A GLY 266.A N ALA 263.A O no hydrogen 2.924 N/A ILE 267.A N VAL 264.A O no hydrogen 3.096 N/A ALA 268.A N TRP 247.A O no hydrogen 2.814 N/A LYS 269.A N TRP 247.A O no hydrogen 3.202 N/A LEU 270.A N LEU 12.A O no hydrogen 2.949 N/A HIS 271.A N LYS 245.A O no hydrogen 2.913 N/A ALA 272.A N GLU 10.A O no hydrogen 2.583 N/A ILE 274.A N SER 299.A OG no hydrogen 2.919 N/A LYS 275.A N ASP 278.A OD2 no hydrogen 3.004 N/A LYS 275.A NZ ASP 278.A OD1 no hydrogen 3.140 N/A LYS 275.A NZ ASP 278.A OD2 no hydrogen 3.175 N/A ARG 276.A NE GLU 301.A OE1 no hydrogen 3.184 N/A ARG 276.A NH2 GLU 301.A OE1 no hydrogen 3.169 N/A ARG 276.A NH2 GLU 301.A OE2 no hydrogen 2.690 N/A GLY 277.A N ALA 295.A O no hydrogen 2.812 N/A ASP 278.A N LYS 275.A O no hydrogen 3.187 N/A VAL 280.A N GLY 293.A O no hydrogen 2.808 N/A ALA 281.A N PRO 244.A O no hydrogen 2.933 N/A ILE 282.A N ALA 291.A O no hydrogen 2.811 N/A MET 283.A N VAL 246.A O no hydrogen 2.854 N/A THR 284.A N GLU 288.A O no hydrogen 2.965 N/A THR 284.A OG1 GLU 288.A OE2 no hydrogen 2.471 N/A LYS 286.A N THR 284.A OG1 no hydrogen 3.118 N/A LYS 286.A NZ THR 20.A OG1 no hydrogen 2.721 N/A LYS 286.A NZ ASN 21.A O no hydrogen 2.815 N/A LYS 286.A NZ TRP 24.A O no hydrogen 2.804 N/A LYS 286.A NZ TYR 323.A OH no hydrogen 2.973 N/A ASP 287.A N THR 284.A O no hydrogen 2.823 N/A GLU 288.A N THR 284.A OG1 no hydrogen 3.120 N/A LEU 289.A N GLU 237.A OE2 no hydrogen 2.695 N/A VAL 290.A N ILE 282.A O no hydrogen 2.869 N/A ALA 291.A N ILE 282.A O no hydrogen 3.394 N/A LEU 292.A N LYS 315.A O no hydrogen 2.758 N/A GLY 293.A N VAL 280.A O no hydrogen 2.925 N/A LYS 294.A N ASP 312.A O no hydrogen 2.968 N/A ALA 295.A N ASP 278.A O no hydrogen 2.968 N/A MET 296.A N ALA 310.A O no hydrogen 2.810 N/A THR 298.A N GLU 301.A OE1 no hydrogen 2.923 N/A SER 299.A N ILE 274.A O no hydrogen 2.919 N/A SER 299.A OG HIS 271.A O no hydrogen 2.516 N/A GLU 301.A N THR 298.A OG1 no hydrogen 3.161 N/A MET 302.A N THR 298.A O no hydrogen 3.057 N/A LEU 303.A N SER 299.A O no hydrogen 3.108 N/A GLU 304.A N GLN 300.A O no hydrogen 2.845 N/A LYS 305.A N GLU 301.A O no hydrogen 2.987 N/A ALA 310.A N LEU 262.A O no hydrogen 2.739 N/A VAL 311.A N LEU 262.A O no hydrogen 3.120 N/A ASP 312.A N LYS 294.A O no hydrogen 2.836 N/A VAL 313.A N ASP 261.A OD1 no hydrogen 2.898 N/A GLU 314.A N LEU 292.A O no hydrogen 3.092 N/A LYS 315.A N LEU 292.A O no hydrogen 3.163 N/A PHE 317.A N VAL 290.A O no hydrogen 2.991 N/A MET 318.A N VAL 290.A O no hydrogen 3.150 N/A TRP 322.A N PRO 319.A O no hydrogen 3.529 N/A TYR 323.A OH GLU 288.A OE2 no hydrogen 2.696 N/A