Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3bql_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 1.A OG SER 1.A O no hydrogen 2.572 N/A ALA 6.A N ASP 3.A O no hydrogen 3.117 N/A SER 15.A OG GLU 96.A OE1 no hydrogen 2.548 N/A SER 15.A OG GLU 96.A OE2 no hydrogen 3.535 N/A LYS 16.A NZ ASN 54.A O no hydrogen 2.765 N/A LYS 16.A NZ GLU 90.A OE1 no hydrogen 2.676 N/A ASP 19.A N TYR 97.A OH no hydrogen 2.814 N/A GLY 20.A N THR 17.A O no hydrogen 2.799 N/A LYS 21.A N GLY 27.A O no hydrogen 2.953 N/A GLY 25.A N ILE 22.A O no hydrogen 2.881 N/A GLU 29.A N GLU 29.A OE1 no hydrogen 2.684 N/A LYS 30.A N TYR 18.A O no hydrogen 2.755 N/A GLN 31.A NE2 TRP 32.A O no hydrogen 3.377 N/A TRP 32.A NE1 GLN 230.A OE1 no hydrogen 2.844 N/A ILE 33.A N ILE 48.A O no hydrogen 3.258 N/A LYS 35.A N ALA 46.A O no hydrogen 3.084 N/A THR 37.A OG1 THR 37.A O no hydrogen 2.454 N/A ILE 38.A N ASP 36.A O no hydrogen 2.876 N/A HIS 40.A N THR 43.A O no hydrogen 3.016 N/A HIS 40.A NE2 GLN 219.A OE1 no hydrogen 2.902 N/A ASP 42.A N HIS 40.A O no hydrogen 2.999 N/A GLY 45.A N ILE 38.A O no hydrogen 2.759 N/A ILE 48.A N ILE 33.A O no hydrogen 2.835 N/A ARG 51.A NE GLU 226.A OE1 no hydrogen 3.355 N/A ARG 51.A NE GLU 226.A OE2 no hydrogen 3.026 N/A ARG 51.A NH1 SER 133.A OG no hydrogen 2.975 N/A ARG 51.A NH1 ASP 136.A OD2 no hydrogen 2.771 N/A ARG 51.A NH2 ASP 136.A OD2 no hydrogen 2.964 N/A ARG 51.A NH2 GLU 226.A OE1 no hydrogen 2.761 N/A THR 52.A OG1 ASP 136.A OD2 no hydrogen 2.744 N/A GLN 53.A N PRO 49.A O no hydrogen 3.306 N/A GLN 53.A NE2 GLN 31.A O no hydrogen 2.894 N/A GLN 53.A NE2 ILE 48.A O no hydrogen 3.037 N/A GLN 53.A NE2 PRO 49.A O no hydrogen 3.254 N/A ASN 54.A N ARG 51.A O no hydrogen 2.908 N/A LEU 55.A N THR 52.A O no hydrogen 3.174 N/A CYS 56.A N GLU 90.A OE1 no hydrogen 2.923 N/A CYS 56.A SG ALA 86.A O no hydrogen 3.734 N/A LEU 60.A N VAL 57.A O no hydrogen 2.897 N/A ASP 62.A N ARG 68.A O no hydrogen 2.827 N/A LYS 63.A NZ GLY 12.A O no hydrogen 2.833 N/A SER 64.A N ASP 62.A OD1 no hydrogen 3.127 N/A SER 64.A OG ASP 62.A OD1 no hydrogen 2.767 N/A SER 64.A OG ASP 62.A OD2 no hydrogen 3.456 N/A GLY 67.A N SER 64.A O no hydrogen 2.987 N/A ARG 68.A N ASP 62.A O no hydrogen 2.682 N/A ARG 68.A NH1 SER 64.A O no hydrogen 3.118 N/A ARG 68.A NH1 TYR 65.A O no hydrogen 2.665 N/A ARG 68.A NH2 ASP 62.A OD2 no hydrogen 3.381 N/A ARG 68.A NH2 SER 64.A O no hydrogen 2.743 N/A ARG 68.A NH2 SER 64.A OG no hydrogen 3.109 N/A SER 69.A OG ASP 158.A OD2 no hydrogen 3.081 N/A ASN 70.A N LEU 60.A O no hydrogen 2.927 N/A ASN 70.A ND2 GLU 59.A O no hydrogen 2.785 N/A ILE 71.A N SER 69.A OG no hydrogen 3.212 N/A LYS 76.A NZ GLU 77.A OE2 no hydrogen 3.244 N/A LYS 76.A NZ GLY 166.A O no hydrogen 2.803 N/A LEU 78.A N THR 75.A OG1 no hydrogen 3.031 N/A LEU 79.A N THR 75.A O no hydrogen 3.023 N/A LYS 80.A N LYS 76.A O no hydrogen 2.974 N/A LYS 80.A NZ GLU 185.A OE1 no hydrogen 3.097 N/A LYS 80.A NZ GLU 185.A OE2 no hydrogen 3.002 N/A GLU 81.A N GLU 77.A O no hydrogen 3.132 N/A LYS 82.A N LEU 78.A O no hydrogen 2.932 N/A LYS 82.A NZ ASN 70.A O no hydrogen 2.841 N/A LYS 82.A NZ ASP 74.A OD1 no hydrogen 3.418 N/A LYS 82.A NZ ASP 74.A OD2 no hydrogen 2.589 N/A ILE 83.A N LEU 79.A O no hydrogen 2.871 N/A LYS 84.A N LYS 80.A O no hydrogen 2.955 N/A LYS 84.A NZ GLU 185.A OE2 no hydrogen 3.283 N/A ASN 85.A N GLU 81.A O no hydrogen 2.990 N/A ALA 86.A N LYS 82.A O no hydrogen 3.118 N/A ILE 87.A N ILE 83.A O no hydrogen 2.884 N/A HIS 88.A N LYS 84.A O no hydrogen 2.951 N/A LYS 89.A N ASN 85.A O no hydrogen 2.925 N/A GLU 90.A N ALA 86.A O no hydrogen 2.844 N/A THR 91.A N ILE 87.A O no hydrogen 3.014 N/A THR 91.A OG1 ILE 87.A O no hydrogen 2.903 N/A GLU 92.A N HIS 88.A O no hydrogen 3.097 N/A LEU 93.A N LYS 89.A O no hydrogen 2.866 N/A LEU 94.A N GLU 90.A O no hydrogen 2.775 N/A TYR 95.A N THR 91.A O no hydrogen 2.888 N/A GLU 96.A N GLU 92.A O no hydrogen 3.243 N/A TYR 97.A N LEU 93.A O no hydrogen 2.960 N/A TYR 97.A OH GLY 20.A O no hydrogen 2.517 N/A HIS 98.A N LEU 94.A O no hydrogen 3.040 N/A HIS 98.A ND1 LEU 94.A O no hydrogen 2.816 N/A ASP 99.A N TYR 95.A O no hydrogen 2.750 N/A THR 100.A N GLU 96.A O no hydrogen 3.059 N/A THR 100.A OG1 GLU 96.A O no hydrogen 2.828 N/A THR 100.A OG1 TYR 97.A O no hydrogen 3.393 N/A THR 100.A OG1 THR 102.A OG1 no hydrogen 2.771 N/A GLY 101.A N HIS 98.A O no hydrogen 3.056 N/A THR 102.A N TYR 97.A O no hydrogen 3.183 N/A THR 102.A OG1 THR 100.A OG1 no hydrogen 2.771 N/A ALA 103.A N TYR 97.A O no hydrogen 3.082 N/A ILE 104.A N ASP 19.A OD2 no hydrogen 2.876 N/A SER 106.A N ALA 103.A O no hydrogen 2.892 N/A SER 106.A OG ALA 103.A O no hydrogen 2.631 N/A LYS 107.A N ILE 104.A O no hydrogen 3.192 N/A LYS 107.A NZ GLY 101.A O no hydrogen 2.723 N/A ASN 108.A ND2 LYS 114.A O no hydrogen 2.621 N/A LYS 110.A N ASN 108.A OD1 no hydrogen 3.124 N/A LYS 110.A NZ GLN 113.A OE1 no hydrogen 2.451 N/A ASP 118.A N LEU 122.A O no hydrogen 2.932 N/A ASN 120.A N ASP 118.A OD1 no hydrogen 3.326 N/A GLY 121.A N ASP 118.A O no hydrogen 2.470 N/A LEU 122.A N ASP 118.A OD1 no hydrogen 3.206 N/A LYS 124.A NZ GLU 306.A OE2 no hydrogen 2.711 N/A PHE 126.A N PRO 123.A O no hydrogen 3.199 N/A CYS 127.A SG ASP 118.A OD2 no hydrogen 3.903 N/A HIS 128.A ND1 GLU 229.A OE1 no hydrogen 3.143 N/A HIS 128.A ND1 GLU 229.A OE2 no hydrogen 2.873 N/A ALA 129.A N GLY 125.A O no hydrogen 2.914 N/A VAL 130.A N PHE 126.A O no hydrogen 2.964 N/A GLN 131.A N CYS 127.A O no hydrogen 2.874 N/A GLN 131.A NE2 CYS 211.A O no hydrogen 2.937 N/A ARG 132.A N HIS 128.A O no hydrogen 2.928 N/A ARG 132.A NH1 GLU 229.A OE1 no hydrogen 2.963 N/A ARG 132.A NH2 GLU 229.A OE1 no hydrogen 2.688 N/A ARG 132.A NH2 TYR 304.A OH no hydrogen 2.893 N/A SER 133.A N ALA 129.A O no hydrogen 2.925 N/A SER 133.A OG GLU 90.A OE2 no hydrogen 2.727 N/A SER 133.A OG ALA 129.A O no hydrogen 3.389 N/A PHE 134.A N VAL 130.A O no hydrogen 2.980 N/A ILE 135.A N GLN 131.A O no hydrogen 3.050 N/A ASP 136.A N ARG 132.A O no hydrogen 3.017 N/A TYR 137.A N SER 133.A O no hydrogen 2.925 N/A TYR 137.A OH CYS 56.A O no hydrogen 2.574 N/A LYS 138.A N PHE 134.A O no hydrogen 3.011 N/A ASN 139.A N ILE 135.A O no hydrogen 3.023 N/A ASN 139.A ND2 THR 144.A O no hydrogen 3.546 N/A ASN 139.A ND2 THR 144.A OG1 no hydrogen 2.730 N/A MET 140.A N ASP 136.A O no hydrogen 2.923 N/A ILE 141.A N TYR 137.A O no hydrogen 2.865 N/A LEU 142.A N LYS 138.A O no hydrogen 2.871 N/A GLY 143.A N MET 140.A O no hydrogen 3.268 N/A THR 144.A N ASN 139.A O no hydrogen 2.892 N/A ILE 152.A N TYR 149.A O no hydrogen 3.087 N/A GLY 153.A N TYR 149.A O no hydrogen 2.711 N/A LYS 154.A N GLU 150.A O no hydrogen 3.174 N/A LEU 155.A N HIS 151.A O no hydrogen 3.065 N/A GLN 156.A N ILE 152.A O no hydrogen 2.856 N/A GLN 156.A NE2 MET 140.A O no hydrogen 3.143 N/A GLU 157.A N GLY 153.A O no hydrogen 3.246 N/A ASP 158.A N LYS 154.A O no hydrogen 2.917 N/A ILE 159.A N LEU 155.A O no hydrogen 2.991 N/A LYS 160.A N GLN 156.A O no hydrogen 3.251 N/A LYS 160.A NZ GLU 164.A OE2 no hydrogen 2.642 N/A LYS 161.A N GLU 157.A O no hydrogen 3.314 N/A ILE 162.A N ASP 158.A O no hydrogen 3.098 N/A ILE 163.A N ILE 159.A O no hydrogen 3.051 N/A GLU 164.A N LYS 160.A O no hydrogen 3.087 N/A LYS 165.A N LYS 161.A O no hydrogen 3.228 N/A GLY 166.A N ILE 163.A O no hydrogen 3.101 N/A THR 167.A OG1 ILE 163.A O no hydrogen 2.765 N/A GLN 170.A NE2 GLU 173.A OE1 no hydrogen 3.394 N/A SER 171.A N GLU 164.A OE2 no hydrogen 2.958 N/A ASN 174.A ND2 THR 167.A OG1 no hydrogen 2.889 N/A ASN 174.A ND2 PRO 168.A O no hydrogen 2.892 N/A ASN 176.A N THR 172.A O no hydrogen 2.934 N/A ALA 177.A N GLU 173.A O no hydrogen 3.000 N/A TRP 178.A N ASN 174.A O no hydrogen 2.776 N/A TRP 179.A N VAL 175.A O no hydrogen 2.984 N/A LYS 180.A N ASN 176.A O no hydrogen 3.065 N/A GLY 181.A N ALA 177.A O no hydrogen 2.891 N/A ILE 182.A N TRP 178.A O no hydrogen 2.985 N/A ILE 182.A N TRP 179.A O no hydrogen 3.146 N/A ARG 184.A NH1 SER 214.A OG no hydrogen 2.857 N/A MET 186.A N ILE 182.A O no hydrogen 2.947 N/A TRP 187.A N GLU 183.A O no hydrogen 2.943 N/A TRP 187.A NE1 GLY 212.A O no hydrogen 3.000 N/A ASP 188.A N ARG 184.A O no hydrogen 2.881 N/A ALA 189.A N GLU 185.A O no hydrogen 3.176 N/A ALA 189.A N MET 186.A O no hydrogen 3.108 N/A ARG 191.A N TRP 187.A O no hydrogen 2.972 N/A ARG 191.A NE ASP 188.A OD1 no hydrogen 2.831 N/A ARG 191.A NH1 ASP 209.A OD1 no hydrogen 2.854 N/A ARG 191.A NH2 ASP 188.A OD1 no hydrogen 2.799 N/A CYS 192.A N ASP 188.A O no hydrogen 2.771 N/A CYS 192.A SG HIS 88.A NE2 no hydrogen 3.920 N/A ALA 193.A N ALA 189.A O no hydrogen 3.067 N/A ILE 194.A N VAL 190.A O no hydrogen 2.919 N/A THR 195.A N ARG 191.A O no hydrogen 2.896 N/A THR 195.A OG1 ARG 191.A O no hydrogen 3.329 N/A LYS 196.A N CYS 192.A O no hydrogen 3.043 N/A ILE 197.A N ILE 194.A O no hydrogen 2.912 N/A ASN 198.A N THR 195.A O no hydrogen 3.275 N/A LYS 199.A N LYS 196.A O no hydrogen 3.357 N/A LYS 200.A N ILE 197.A O no hydrogen 2.807 N/A ASN 201.A ND2 TYR 95.A OH no hydrogen 2.801 N/A ASN 203.A N ASN 201.A OD1 no hydrogen 2.759 N/A SER 204.A OG ILE 205.A O no hydrogen 3.552 N/A ASN 207.A N GLU 210.A OE2 no hydrogen 3.045 N/A GLY 208.A N GLU 210.A OE1 no hydrogen 2.980 N/A ASP 209.A N ASN 207.A OD1 no hydrogen 2.813 N/A GLU 210.A N GLU 210.A OE1 no hydrogen 2.747 N/A GLY 212.A N ASP 209.A O no hydrogen 2.780 N/A GLN 219.A NE2 ASP 136.A OD1 no hydrogen 2.835 N/A SER 220.A N ASP 218.A OD1 no hydrogen 3.095 N/A SER 220.A OG ASP 218.A OD1 no hydrogen 3.140 N/A SER 222.A N ASP 218.A O no hydrogen 3.130 N/A TRP 223.A N GLN 219.A O no hydrogen 2.956 N/A TRP 223.A NE1 ASP 136.A OD1 no hydrogen 2.877 N/A PHE 224.A N SER 220.A O no hydrogen 3.058 N/A LYS 225.A N VAL 221.A O no hydrogen 2.913 N/A GLU 226.A N SER 222.A O no hydrogen 3.003 N/A TRP 227.A N TRP 223.A O no hydrogen 2.899 N/A TRP 227.A NE1 GLU 279.A OE1 no hydrogen 2.748 N/A GLY 228.A N PHE 224.A O no hydrogen 2.871 N/A GLU 229.A N LYS 225.A O no hydrogen 2.882 N/A GLN 230.A N GLU 226.A O no hydrogen 3.042 N/A GLN 230.A NE2 GLU 234.A OE1 no hydrogen 2.985 N/A PHE 231.A N TRP 227.A O no hydrogen 2.791 N/A CYS 232.A N GLY 228.A O no hydrogen 2.855 N/A CYS 232.A SG GLY 228.A O no hydrogen 3.265 N/A ILE 233.A N GLU 229.A O no hydrogen 3.027 N/A GLU 234.A N GLN 230.A O no hydrogen 2.906 N/A ARG 235.A N PHE 231.A O no hydrogen 2.858 N/A ARG 235.A NE ASP 330.A OD2 no hydrogen 2.782 N/A ARG 235.A NH1 SER 309.A OG no hydrogen 2.996 N/A ARG 235.A NH2 ASP 330.A OD2 no hydrogen 2.717 N/A LEU 236.A N CYS 232.A O no hydrogen 3.123 N/A ARG 237.A N ILE 233.A O no hydrogen 3.143 N/A ARG 237.A NH1 ASN 108.A O no hydrogen 2.661 N/A ARG 237.A NH1 LYS 110.A O no hydrogen 3.553 N/A TYR 238.A N GLU 234.A O no hydrogen 2.882 N/A GLU 239.A N ARG 235.A O no hydrogen 2.926 N/A GLN 240.A N LEU 236.A O no hydrogen 3.037 N/A ASN 241.A N ARG 237.A O no hydrogen 3.139 N/A ILE 242.A N TYR 238.A O no hydrogen 2.948 N/A ARG 243.A N GLU 239.A O no hydrogen 2.827 N/A ARG 243.A NE GLU 239.A OE2 no hydrogen 3.107 N/A ARG 243.A NH2 GLU 239.A OE2 no hydrogen 3.483 N/A GLU 244.A N GLN 240.A O no hydrogen 2.811 N/A ALA 245.A N ASN 241.A O no hydrogen 2.871 N/A CYS 246.A N ILE 242.A O no hydrogen 2.745 N/A CYS 246.A SG ILE 242.A O no hydrogen 3.282 N/A CYS 251.A SG SER 336.A O no hydrogen 3.664 N/A SER 254.A OG GLY 255.A O no hydrogen 2.557 N/A LYS 257.A N ILE 252.A O no hydrogen 2.979 N/A ARG 264.A N GLY 260.A O no hydrogen 3.058 N/A LYS 265.A N ALA 261.A O no hydrogen 2.919 N/A CYS 266.A N CYS 262.A O no hydrogen 2.993 N/A CYS 266.A SG CYS 262.A O no hydrogen 3.144 N/A GLU 267.A N LYS 263.A O no hydrogen 2.836 N/A LYS 268.A N ARG 264.A O no hydrogen 2.985 N/A TYR 269.A N LYS 265.A O no hydrogen 3.335 N/A TYR 269.A OH ASP 330.A OD1 no hydrogen 2.562 N/A LYS 270.A N CYS 266.A O no hydrogen 3.167 N/A LYS 270.A NZ PRO 327.A O no hydrogen 2.650 N/A LYS 271.A N GLU 267.A O no hydrogen 3.011 N/A LYS 271.A NZ GLU 275.A OE1 no hydrogen 3.318 N/A LYS 271.A NZ GLU 275.A OE2 no hydrogen 3.416 N/A TYR 272.A N LYS 268.A O no hydrogen 2.863 N/A TYR 272.A OH GLU 234.A OE1 no hydrogen 2.640 N/A ILE 273.A N TYR 269.A O no hydrogen 2.842 N/A SER 274.A N LYS 270.A O no hydrogen 3.051 N/A SER 274.A OG LYS 271.A O no hydrogen 2.698 N/A GLU 275.A N LYS 271.A O no hydrogen 3.065 N/A LYS 276.A N TYR 272.A O no hydrogen 2.959 N/A LYS 276.A NZ GLU 279.A OE1 no hydrogen 2.760 N/A LYS 277.A N ILE 273.A O no hydrogen 2.991 N/A LYS 277.A NZ ASP 281.A OD2 no hydrogen 3.243 N/A TRP 280.A N LYS 276.A O no hydrogen 2.948 N/A ASP 281.A N LYS 277.A O no hydrogen 2.927 N/A LYS 282.A N GLN 278.A O no hydrogen 3.098 N/A LYS 282.A NZ ASP 36.A OD1 no hydrogen 2.704 N/A GLN 283.A N GLU 279.A O no hydrogen 3.098 N/A GLN 283.A NE2 GLU 279.A O no hydrogen 3.015 N/A LYS 284.A N TRP 280.A O no hydrogen 2.756 N/A LYS 284.A NZ GLU 288.A OE1 no hydrogen 3.155 N/A THR 285.A N ASP 281.A O no hydrogen 3.030 N/A THR 285.A OG1 ASP 281.A O no hydrogen 2.819 N/A LYS 286.A N LYS 282.A O no hydrogen 3.146 N/A LYS 286.A NZ ASN 44.A O no hydrogen 3.141 N/A LYS 286.A NZ GLY 45.A O no hydrogen 2.934 N/A TYR 287.A N GLN 283.A O no hydrogen 2.895 N/A GLU 288.A N LYS 284.A O no hydrogen 2.841 N/A ASN 289.A N THR 285.A O no hydrogen 3.298 N/A LYS 290.A N LYS 286.A O no hydrogen 3.281 N/A LYS 290.A N TYR 287.A O no hydrogen 3.274 N/A LYS 290.A NZ ASP 42.A OD2 no hydrogen 2.760 N/A TYR 291.A N TYR 287.A O no hydrogen 2.798 N/A TYR 291.A OH ASP 218.A OD2 no hydrogen 2.353 N/A LYS 294.A N TYR 291.A O no hydrogen 2.995 N/A ALA 296.A N GLU 288.A OE2 no hydrogen 2.743 N/A ASP 298.A N SER 295.A OG no hydrogen 3.111 N/A LEU 299.A N SER 295.A O no hydrogen 3.066 N/A LEU 300.A N ALA 296.A O no hydrogen 3.272 N/A LYS 301.A N SER 297.A O no hydrogen 3.039 N/A LYS 301.A NZ CYS 307.A O no hydrogen 3.278 N/A LYS 301.A NZ ALA 310.A O no hydrogen 2.732 N/A GLU 302.A N ASP 298.A O no hydrogen 2.976 N/A ASN 303.A N LEU 300.A O no hydrogen 3.304 N/A ASN 303.A ND2 LEU 299.A O no hydrogen 2.733 N/A TYR 304.A N LEU 300.A O no hydrogen 3.046 N/A GLU 306.A N GLU 306.A OE1 no hydrogen 2.796 N/A CYS 307.A N TYR 304.A O no hydrogen 2.938 N/A CYS 307.A SG GLY 228.A O no hydrogen 3.630 N/A CYS 307.A SG LEU 300.A O no hydrogen 4.006 N/A ILE 308.A N PRO 305.A O no hydrogen 3.265 N/A ALA 310.A N CYS 307.A O no hydrogen 2.979 N/A PHE 314.A N ASN 311.A OD1 no hydrogen 3.170 N/A ILE 315.A N ASN 311.A O no hydrogen 2.882 N/A PHE 316.A N PHE 312.A O no hydrogen 3.001 N/A ASN 317.A N PHE 314.A O no hydrogen 3.297 N/A ASN 317.A ND2 ASP 313.A O no hydrogen 3.265 N/A ASN 319.A N ASN 317.A OD1 no hydrogen 3.037 N/A THR 324.A OG1 GLU 321.A O no hydrogen 3.013 N/A TYR 325.A N GLU 321.A O no hydrogen 2.808 N/A TYR 326.A N TYR 322.A O no hydrogen 2.746 N/A TYR 328.A N SER 332.A OG no hydrogen 2.952 N/A GLY 329.A N TYR 326.A O no hydrogen 3.195 N/A TYR 331.A N TYR 328.A O no hydrogen 3.145 N/A TYR 331.A OH GLU 239.A OE1 no hydrogen 2.841 N/A SER 332.A N GLY 329.A O no hydrogen 3.087 N/A SER 332.A OG GLY 329.A O no hydrogen 2.734 N/A CYS 335.A N TYR 331.A O no hydrogen 2.989 N/A CYS 335.A SG TYR 331.A O no hydrogen 3.228 N/A SER 336.A OG SER 333.A O no hydrogen 2.714 N/A