Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4ngu_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 5.A N VAL 39.A O no hydrogen 2.715 N/A TYR 8.A N TYR 43.A O no hydrogen 3.304 N/A TYR 8.A OH HIS 20.A ND1 no hydrogen 2.715 N/A ASN 9.A ND2 TYR 181.A OH no hydrogen 3.413 N/A ASN 9.A ND2 GLN 204.A OE1 no hydrogen 3.552 N/A SER 13.A N PRO 11.A O no hydrogen 2.944 N/A ASP 16.A N SER 13.A O no hydrogen 3.389 N/A ASN 17.A N SER 13.A O no hydrogen 3.160 N/A ASN 17.A ND2 ASN 9.A O no hydrogen 2.989 N/A ASN 17.A ND2 PRO 11.A O no hydrogen 3.018 N/A VAL 19.A N ASN 17.A OD1 no hydrogen 2.980 N/A HIS 20.A ND1 TYR 8.A OH no hydrogen 2.715 N/A ALA 21.A N ASN 17.A O no hydrogen 2.979 N/A PHE 22.A N ALA 18.A O no hydrogen 2.930 N/A ALA 23.A N VAL 19.A O no hydrogen 2.849 N/A THR 24.A N HIS 20.A O no hydrogen 2.889 N/A THR 24.A OG1 HIS 20.A O no hydrogen 2.802 N/A THR 25.A N ALA 21.A O no hydrogen 3.090 N/A THR 25.A OG1 ALA 21.A O no hydrogen 3.114 N/A PHE 26.A N PHE 22.A O no hydrogen 2.773 N/A LYS 27.A N ALA 23.A O no hydrogen 2.696 N/A LYS 27.A NZ GLU 31.A OE1 no hydrogen 3.536 N/A LYS 27.A NZ GLU 31.A OE2 no hydrogen 2.776 N/A LYS 27.A NZ ILE 40.A O no hydrogen 3.089 N/A GLU 28.A N THR 24.A O no hydrogen 3.111 N/A LEU 29.A N THR 25.A O no hydrogen 2.930 N/A VAL 30.A N PHE 26.A O no hydrogen 2.959 N/A GLU 31.A N LYS 27.A O no hydrogen 3.025 N/A LYS 32.A N GLU 28.A O no hydrogen 2.852 N/A GLU 33.A N LEU 29.A O no hydrogen 2.751 N/A SER 34.A N VAL 30.A O no hydrogen 2.921 N/A SER 34.A OG VAL 30.A O no hydrogen 2.762 N/A GLY 35.A N LYS 32.A O no hydrogen 3.232 N/A GLY 36.A N GLU 31.A O no hydrogen 3.043 N/A GLY 37.A N SER 34.A O no hydrogen 3.005 N/A ILE 38.A N SER 34.A OG no hydrogen 2.944 N/A ILE 40.A N GLU 31.A OE2 no hydrogen 3.070 N/A ASP 41.A N VAL 5.A O no hydrogen 3.150 N/A ASN 45.A N GLY 10.A O no hydrogen 2.712 N/A SER 46.A N TYR 8.A O no hydrogen 3.001 N/A GLN 47.A N PRO 44.A O no hydrogen 3.246 N/A GLY 49.A N SER 46.A O no hydrogen 3.002 N/A ASN 50.A N GLN 53.A OE1 no hydrogen 2.841 N/A GLN 53.A N ASN 50.A OD1 no hydrogen 2.951 N/A ARG 54.A N ASN 50.A O no hydrogen 3.026 N/A ARG 54.A NE GLY 49.A O no hydrogen 2.873 N/A ARG 54.A NH1 ASN 62.A OD1 no hydrogen 2.631 N/A ARG 54.A NH1 VAL 63.A O no hydrogen 3.119 N/A ARG 54.A NH2 GLU 51.A OE2 no hydrogen 2.686 N/A GLN 56.A N GLN 53.A O no hydrogen 2.972 N/A GLN 56.A NE2 LEU 48.A O no hydrogen 2.835 N/A GLN 56.A NE2 GLN 53.A O no hydrogen 3.494 N/A VAL 57.A N ARG 54.A O no hydrogen 2.910 N/A THR 58.A OG1 GLU 55.A O no hydrogen 3.335 N/A THR 58.A OG1 GLN 56.A O no hydrogen 3.550 N/A GLY 59.A N GLN 56.A O no hydrogen 3.016 N/A ILE 61.A N LYS 6.A O no hydrogen 2.855 N/A ASN 62.A N LEU 207.A O no hydrogen 2.882 N/A VAL 63.A N SER 7.A O no hydrogen 2.764 N/A ALA 64.A N PHE 205.A O no hydrogen 2.984 N/A SER 65.A N GLU 51.A OE1 no hydrogen 3.024 N/A SER 65.A N GLU 51.A OE2 no hydrogen 3.372 N/A GLY 67.A N SER 65.A OG no hydrogen 3.060 N/A GLY 68.A N SER 65.A O no hydrogen 2.850 N/A THR 70.A N GLY 68.A O no hydrogen 3.273 N/A THR 70.A OG1 GLY 68.A O no hydrogen 2.781 N/A GLU 74.A N GLU 74.A OE1 no hydrogen 2.711 N/A ALA 76.A N GLU 74.A O no hydrogen 2.951 N/A ASN 78.A N PHE 75.A O no hydrogen 2.969 N/A PHE 81.A N VAL 199.A O no hydrogen 2.989 N/A GLU 83.A N ASN 298.A OD1 no hydrogen 2.957 N/A ALA 87.A N SER 84.A OG no hydrogen 2.961 N/A ALA 88.A N SER 84.A O no hydrogen 3.236 N/A HIS 89.A N TYR 85.A O no hydrogen 2.974 N/A HIS 89.A NE2 GLU 117.A OE1 no hydrogen 2.807 N/A GLU 90.A N ALA 86.A O no hydrogen 2.953 N/A PHE 91.A N ALA 87.A O no hydrogen 2.903 N/A PHE 92.A N ALA 88.A O no hydrogen 2.812 N/A ASP 93.A N HIS 89.A O no hydrogen 2.888 N/A ASN 94.A N GLU 90.A O no hydrogen 2.991 N/A ASN 94.A ND2 GLU 90.A OE1 no hydrogen 2.838 N/A ASN 94.A ND2 GLU 90.A OE2 no hydrogen 3.423 N/A SER 95.A N PHE 91.A O no hydrogen 3.178 N/A SER 95.A OG PHE 91.A O no hydrogen 2.709 N/A SER 96.A OG HIS 290.A NE2 no hydrogen 3.045 N/A SER 96.A OG ASP 293.A OD2 no hydrogen 3.256 N/A PHE 97.A N ASP 293.A OD2 no hydrogen 2.930 N/A LYS 99.A N SER 96.A O no hydrogen 2.903 N/A ALA 100.A N PHE 97.A O no hydrogen 2.590 N/A LYS 102.A N ASP 98.A O no hydrogen 3.056 N/A GLU 103.A N LYS 99.A O no hydrogen 3.156 N/A LEU 104.A N ALA 100.A O no hydrogen 2.945 N/A ARG 105.A N GLY 101.A O no hydrogen 3.157 N/A ARG 105.A NH1 ARG 105.A O no hydrogen 3.322 N/A ARG 105.A NH2 ASP 214.A OD2 no hydrogen 2.879 N/A SER 106.A N LYS 102.A O no hydrogen 2.969 N/A SER 106.A OG LYS 102.A O no hydrogen 3.135 N/A SER 106.A OG GLU 103.A O no hydrogen 3.286 N/A ARG 107.A N GLU 103.A O no hydrogen 2.954 N/A ARG 107.A NH1 VAL 71.A O no hydrogen 2.955 N/A ARG 107.A NH1 GLU 74.A OE1 no hydrogen 3.074 N/A ARG 107.A NH2 GLU 74.A OE2 no hydrogen 2.892 N/A ARG 107.A NH2 GLU 103.A OE2 no hydrogen 3.215 N/A THR 108.A N LEU 104.A O no hydrogen 2.833 N/A THR 108.A OG1 LEU 104.A O no hydrogen 2.713 N/A GLY 109.A N ARG 105.A O no hydrogen 2.856 N/A ILE 110.A N THR 108.A OG1 no hydrogen 3.017 N/A GLU 111.A N ILE 208.A O no hydrogen 2.757 N/A LEU 113.A N LEU 206.A O no hydrogen 2.874 N/A VAL 116.A N GLN 204.A O no hydrogen 2.700 N/A ILE 122.A N GLN 200.A O no hydrogen 2.751 N/A ALA 123.A N ASN 177.A O no hydrogen 2.997 N/A PHE 124.A N THR 195.A O no hydrogen 3.102 N/A THR 125.A N GLN 176.A O no hydrogen 2.922 N/A THR 125.A OG1 GLN 176.A O no hydrogen 3.556 N/A THR 125.A OG1 GLN 191.A OE1 no hydrogen 2.908 N/A SER 126.A N HIS 193.A O no hydrogen 3.122 N/A SER 126.A OG LYS 128.A O no hydrogen 2.493 N/A LYS 128.A NZ ASP 135.A O no hydrogen 3.195 N/A ARG 131.A N ASP 135.A OD2 no hydrogen 2.954 N/A ASP 135.A N SER 132.A O no hydrogen 3.073 N/A PHE 136.A N PRO 133.A O no hydrogen 2.867 N/A LYS 137.A N ALA 134.A O no hydrogen 3.262 N/A GLY 138.A N GLY 153.A O no hydrogen 3.271 N/A PHE 140.A N SER 155.A O no hydrogen 3.032 N/A ARG 141.A N GLY 175.A O no hydrogen 2.788 N/A ARG 141.A NE ILE 159.A O no hydrogen 2.977 N/A ARG 141.A NH1 ILE 159.A O no hydrogen 2.960 N/A ALA 142.A N THR 157.A O no hydrogen 2.805 N/A ALA 144.A N GLU 69.A OE2 no hydrogen 3.014 N/A SER 145.A OG ASP 143.A OD1 no hydrogen 2.323 N/A GLN 146.A N ASP 143.A OD1 no hydrogen 3.039 N/A VAL 147.A N ASP 143.A O no hydrogen 3.143 N/A ALA 148.A N ALA 144.A O no hydrogen 3.008 N/A TYR 149.A OH ARG 141.A O no hydrogen 2.639 N/A GLU 150.A N VAL 147.A O no hydrogen 3.127 N/A ALA 151.A N ALA 148.A O no hydrogen 3.161 N/A PHE 152.A N TYR 149.A O no hydrogen 2.834 N/A GLY 153.A N GLU 150.A O no hydrogen 2.937 N/A ALA 154.A N TYR 149.A O no hydrogen 2.960 N/A THR 157.A N PHE 140.A O no hydrogen 3.132 N/A ILE 159.A N ALA 142.A O no hydrogen 3.065 N/A GLU 163.A N PRO 160.A O no hydrogen 3.023 N/A VAL 164.A N TRP 161.A O no hydrogen 3.248 N/A TYR 165.A OH GLU 189.A OE1 no hydrogen 2.692 N/A ALA 167.A N GLU 163.A O no hydrogen 3.071 N/A LEU 168.A N VAL 164.A O no hydrogen 2.957 N/A LYS 169.A N TYR 165.A O no hydrogen 3.055 N/A LYS 169.A N LEU 166.A O no hydrogen 3.188 N/A THR 170.A N LEU 166.A O no hydrogen 2.938 N/A THR 170.A OG1 LEU 166.A O no hydrogen 3.091 N/A VAL 172.A N THR 170.A O no hydrogen 2.871 N/A ALA 173.A N ALA 167.A O no hydrogen 3.178 N/A ASP 174.A N LYS 139.A O no hydrogen 2.562 N/A GLY 175.A N LYS 139.A O no hydrogen 3.254 N/A GLN 176.A N THR 125.A O no hydrogen 3.291 N/A GLN 176.A NE2 THR 125.A OG1 no hydrogen 2.614 N/A ASN 177.A N ALA 123.A O no hydrogen 2.934 N/A ASN 177.A ND2 GLN 176.A OE1 no hydrogen 2.813 N/A THR 180.A OG1 GLU 118.A O no hydrogen 2.899 N/A TYR 181.A OH GLU 118.A OE2 no hydrogen 2.857 N/A ILE 182.A N PRO 178.A O no hydrogen 3.355 N/A ILE 183.A N PRO 179.A O no hydrogen 2.881 N/A ILE 184.A N THR 180.A O no hydrogen 2.933 N/A GLY 185.A N TYR 181.A O no hydrogen 3.076 N/A SER 186.A N ILE 183.A O no hydrogen 2.969 N/A LEU 187.A N ILE 182.A O no hydrogen 2.918 N/A GLU 189.A N SER 186.A O no hydrogen 3.263 N/A VAL 190.A N LEU 187.A O no hydrogen 2.944 N/A GLN 191.A NE2 ASP 174.A O no hydrogen 2.930 N/A GLN 191.A NE2 VAL 190.A O no hydrogen 2.803 N/A ASP 192.A N SER 126.A O no hydrogen 3.215 N/A HIS 193.A N SER 126.A O no hydrogen 2.846 N/A HIS 193.A ND1 ASP 192.A OD1 no hydrogen 2.576 N/A LEU 194.A N THR 255.A O no hydrogen 2.864 N/A THR 195.A N PHE 124.A O no hydrogen 2.803 N/A THR 195.A OG1 VAL 130.A O no hydrogen 2.695 N/A LEU 196.A N TYR 257.A O no hydrogen 2.902 N/A ALA 197.A N THR 195.A O no hydrogen 2.905 N/A VAL 199.A N ILE 122.A O no hydrogen 3.140 N/A GLN 200.A NE2 ASN 78.A O no hydrogen 2.970 N/A TYR 201.A OH GLU 117.A OE1 no hydrogen 2.519 N/A SER 202.A OG GLU 118.A OE1 no hydrogen 2.522 N/A GLN 204.A N VAL 116.A O no hydrogen 2.780 N/A GLN 204.A NE2 ASN 9.A OD1 no hydrogen 2.919 N/A PHE 205.A N ALA 64.A O no hydrogen 2.831 N/A LEU 206.A N ALA 114.A O no hydrogen 2.903 N/A LEU 207.A N ASN 62.A O no hydrogen 2.807 N/A ILE 208.A N GLU 111.A O no hydrogen 2.981 N/A ASN 209.A ND2 VAL 57.A O no hydrogen 3.030 N/A GLY 210.A N GLY 109.A O no hydrogen 2.923 N/A LEU 212.A N ASN 209.A OD1 no hydrogen 2.889 N/A LEU 213.A N ASN 209.A O no hydrogen 3.090 N/A ASP 214.A N GLY 210.A O no hydrogen 2.914 N/A SER 215.A N GLU 211.A O no hydrogen 3.106 N/A SER 215.A OG LEU 212.A O no hydrogen 2.515 N/A LEU 216.A N LEU 213.A O no hydrogen 3.251 N/A ARG 221.A N PRO 217.A O no hydrogen 3.185 N/A GLN 222.A N ASP 218.A O no hydrogen 3.088 N/A VAL 223.A N SER 219.A O no hydrogen 3.231 N/A ILE 224.A N GLN 220.A O no hydrogen 3.344 N/A ARG 225.A N ARG 221.A O no hydrogen 3.096 N/A ARG 225.A NH1 GLU 111.A OE2 no hydrogen 2.920 N/A ARG 225.A NH2 GLU 111.A OE2 no hydrogen 3.106 N/A LYS 226.A N GLN 222.A O no hydrogen 2.721 N/A LYS 226.A NZ GLU 230.A OE2 no hydrogen 3.013 N/A ALA 227.A N VAL 223.A O no hydrogen 2.701 N/A ALA 228.A N ILE 224.A O no hydrogen 2.956 N/A HIS 229.A N ARG 225.A O no hydrogen 3.190 N/A GLU 230.A N LYS 226.A O no hydrogen 2.861 N/A ALA 231.A N ALA 227.A O no hydrogen 2.923 N/A ASN 232.A N ALA 228.A O no hydrogen 3.146 N/A ASN 232.A ND2 VAL 115.A O no hydrogen 2.874 N/A VAL 233.A N HIS 229.A O no hydrogen 2.966 N/A LYS 234.A N GLU 230.A O no hydrogen 3.316 N/A THR 235.A N ALA 231.A O no hydrogen 2.901 N/A THR 235.A OG1 ALA 231.A O no hydrogen 2.810 N/A ARG 236.A N ASN 232.A O no hydrogen 2.917 N/A ARG 236.A NH1 ASP 93.A OD2 no hydrogen 3.000 N/A ARG 236.A NH2 ASP 93.A OD1 no hydrogen 3.087 N/A GLN 237.A N VAL 233.A O no hydrogen 3.460 N/A PHE 238.A N LYS 234.A O no hydrogen 3.078 N/A VAL 239.A N THR 235.A O no hydrogen 2.779 N/A GLU 240.A N ARG 236.A O no hydrogen 2.923 N/A SER 241.A N GLN 237.A O no hydrogen 3.153 N/A SER 241.A OG GLN 237.A O no hydrogen 2.685 N/A GLN 242.A N VAL 239.A O no hydrogen 3.276 N/A GLN 242.A NE2 PHE 238.A O no hydrogen 3.076 N/A ARG 246.A N GLN 242.A O no hydrogen 2.960 N/A ARG 246.A NH1 VAL 239.A O no hydrogen 2.968 N/A ARG 246.A NH2 PHE 238.A O no hydrogen 3.090 N/A VAL 247.A N VAL 243.A O no hydrogen 3.315 N/A LYS 248.A N ASP 244.A O no hydrogen 3.050 N/A PHE 249.A N GLU 245.A O no hydrogen 2.859 N/A LEU 250.A N ARG 246.A O no hydrogen 3.100 N/A ALA 251.A N VAL 247.A O no hydrogen 2.954 N/A SER 252.A N LYS 248.A O no hydrogen 3.076 N/A SER 252.A OG PHE 249.A O no hydrogen 2.654 N/A LYS 253.A N LEU 250.A O no hydrogen 3.048 N/A GLY 254.A N ALA 251.A O no hydrogen 2.815 N/A TYR 257.A N LEU 194.A O no hydrogen 2.814 N/A TYR 257.A OH GLU 263.A OE1 no hydrogen 3.272 N/A TYR 257.A OH GLU 263.A OE2 no hydrogen 2.610 N/A THR 260.A N GLU 263.A OE2 no hydrogen 2.920 N/A THR 260.A OG1 GLU 263.A OE2 no hydrogen 3.079 N/A GLU 263.A N THR 260.A OG1 no hydrogen 3.245 N/A LEU 264.A N THR 260.A O no hydrogen 2.950 N/A ALA 265.A N ALA 261.A O no hydrogen 3.011 N/A GLN 266.A N GLU 262.A O no hydrogen 3.217 N/A PHE 267.A N GLU 263.A O no hydrogen 3.037 N/A LYS 268.A N LEU 264.A O no hydrogen 3.022 N/A GLU 269.A N ALA 265.A O no hydrogen 3.082 N/A LEU 270.A N GLN 266.A O no hydrogen 3.184 N/A SER 272.A N LYS 268.A O no hydrogen 2.894 N/A SER 272.A OG PRO 80.A O no hydrogen 2.870 N/A SER 272.A OG LYS 268.A O no hydrogen 3.268 N/A SER 274.A OG LEU 270.A O no hydrogen 2.638 N/A TYR 275.A N GLY 271.A O no hydrogen 3.181 N/A TYR 275.A OH PHE 75.A O no hydrogen 2.955 N/A TYR 275.A OH ASN 78.A OD1 no hydrogen 3.255 N/A ILE 276.A N SER 272.A O no hydrogen 3.074 N/A LYS 277.A N PRO 273.A O no hydrogen 2.985 N/A TRP 278.A N SER 274.A O no hydrogen 2.963 N/A LEU 279.A N TYR 275.A O no hydrogen 2.989 N/A SER 280.A N ILE 276.A O no hydrogen 2.839 N/A SER 280.A OG ILE 276.A O no hydrogen 2.657 N/A GLY 281.A N TRP 278.A O no hydrogen 2.920 N/A GLN 282.A N LEU 279.A O no hydrogen 2.998 N/A ILE 283.A N LEU 279.A O no hydrogen 3.257 N/A ALA 286.A N ASP 284.A OD1 no hydrogen 2.699 N/A TRP 287.A N ASP 284.A O no hydrogen 3.233 N/A ASP 289.A N THR 285.A O no hydrogen 2.923 N/A HIS 290.A N ALA 286.A O no hydrogen 2.880 N/A HIS 290.A NE2 SER 96.A OG no hydrogen 3.045 N/A ALA 291.A N TRP 287.A O no hydrogen 2.924 N/A ASP 293.A N HIS 290.A O no hydrogen 3.075 N/A ALA 294.A N ALA 291.A O no hydrogen 2.877 N/A LYS 296.A N GLU 292.A O no hydrogen 3.182 N/A ALA 297.A N ASP 293.A O no hydrogen 3.034 N/A ASN 298.A N ALA 294.A O no hydrogen 2.796 N/A GLU 299.A N ARG 295.A O no hydrogen 3.118 N/A ALA 300.A N LYS 296.A O no hydrogen 2.775 N/A