Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3oef_X.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 1.A NH2 PRO 88.A O no hydrogen 2.876 N/A TYR 5.A N VAL 16.A O no hydrogen 2.889 N/A TYR 5.A OH TYR 20.A O no hydrogen 2.669 N/A ARG 6.A NH2 GLU 15.A OE2 no hydrogen 3.558 N/A GLN 7.A N TRP 14.A O no hydrogen 2.991 N/A LEU 9.A N THR 12.A O no hydrogen 2.844 N/A THR 12.A N LEU 9.A O no hydrogen 3.008 N/A TRP 14.A N GLN 7.A O no hydrogen 2.678 N/A GLU 15.A N TYR 99.A OH no hydrogen 2.937 N/A VAL 16.A N TYR 5.A O no hydrogen 3.048 N/A GLU 18.A N THR 3.A O no hydrogen 2.874 N/A ARG 19.A NE ASP 39.A OD1 no hydrogen 2.917 N/A ARG 19.A NH2 ASP 39.A OD2 no hydrogen 2.929 N/A TYR 20.A N PRO 17.A O no hydrogen 2.995 N/A TYR 20.A OH ASP 84.A OD2 no hydrogen 2.622 N/A GLN 21.A N PHE 38.A O no hydrogen 2.977 N/A GLN 21.A NE2 GLU 18.A O no hydrogen 2.842 N/A SER 24.A N ALA 36.A O no hydrogen 2.862 N/A VAL 26.A N VAL 34.A O no hydrogen 2.913 N/A GLY 29.A N GLY 32.A O no hydrogen 2.611 N/A SER 33.A N LYS 50.A O no hydrogen 3.144 N/A SER 33.A OG ASN 10.A OD1 no hydrogen 3.281 N/A VAL 34.A N GLY 27.A O no hydrogen 2.929 N/A CYS 35.A N VAL 48.A O no hydrogen 2.896 N/A CYS 35.A SG ASN 10.A OD1 no hydrogen 3.984 N/A ALA 36.A N SER 24.A O no hydrogen 2.824 N/A ALA 37.A N VAL 46.A O no hydrogen 2.785 N/A PHE 38.A N GLN 21.A O no hydrogen 2.959 N/A ASP 39.A N LEU 44.A O no hydrogen 2.798 N/A THR 40.A N ARG 19.A O no hydrogen 2.862 N/A THR 40.A OG1 ARG 19.A O no hydrogen 2.771 N/A LYS 41.A N ASP 39.A OD1 no hydrogen 3.017 N/A THR 42.A N ASP 39.A O no hydrogen 3.085 N/A THR 42.A OG1 ASP 39.A OD2 no hydrogen 2.885 N/A GLY 43.A N ASP 39.A O no hydrogen 2.748 N/A LEU 44.A N THR 42.A OG1 no hydrogen 3.328 N/A VAL 46.A N ALA 37.A O no hydrogen 2.964 N/A ALA 47.A N THR 102.A O no hydrogen 2.784 N/A VAL 48.A N CYS 35.A O no hydrogen 2.808 N/A LYS 49.A N LEU 100.A O no hydrogen 2.813 N/A LYS 49.A NZ GLU 67.A OE1 no hydrogen 2.714 N/A LYS 49.A NZ GLU 67.A OE2 no hydrogen 3.142 N/A LYS 49.A NZ PHE 165.A O no hydrogen 2.840 N/A LYS 50.A N SER 33.A O no hydrogen 2.957 N/A LYS 50.A NZ THR 12.A OG1 no hydrogen 3.114 N/A LYS 50.A NZ ILE 13.A O no hydrogen 2.855 N/A LEU 51.A N VAL 98.A O no hydrogen 3.050 N/A SER 52.A N.A TYR 31.A O no hydrogen 2.702 N/A SER 52.A N.B TYR 31.A O no hydrogen 2.705 N/A ARG 53.A NE GLN 56.A OE1 no hydrogen 2.861 N/A GLN 56.A N ARG 53.A O no hydrogen 3.096 N/A SER 57.A OG HIS 60.A ND1 no hydrogen 2.655 N/A HIS 60.A N SER 57.A OG no hydrogen 3.167 N/A HIS 60.A ND1 SER 57.A OG no hydrogen 2.655 N/A ALA 61.A N SER 57.A O no hydrogen 2.925 N/A LYS 62.A N ILE 58.A O no hydrogen 2.883 N/A LYS 62.A NZ GLU 310.A O no hydrogen 2.712 N/A LYS 62.A NZ ARG 312.A O no hydrogen 2.949 N/A ARG 63.A N ILE 59.A O no hydrogen 2.971 N/A THR 64.A N HIS 60.A O no hydrogen 2.873 N/A THR 64.A OG1 PRO 54.A O no hydrogen 3.056 N/A THR 64.A OG1 HIS 60.A O no hydrogen 2.972 N/A TYR 65.A N ALA 61.A O no hydrogen 3.062 N/A ARG 66.A N LYS 62.A O no hydrogen 2.844 N/A ARG 66.A NH1 GLU 310.A OE1 no hydrogen 3.160 N/A GLU 67.A N ARG 63.A O no hydrogen 2.948 N/A LEU 68.A N THR 64.A O no hydrogen 3.083 N/A ARG 69.A N TYR 65.A O no hydrogen 2.820 N/A ARG 69.A NH1 TYR 65.A OH no hydrogen 2.945 N/A ARG 69.A NH2 ASP 306.A O no hydrogen 2.849 N/A LEU 70.A N ARG 66.A O no hydrogen 2.863 N/A LEU 71.A N GLU 67.A O no hydrogen 2.989 N/A LYS 72.A N LEU 68.A O no hydrogen 2.901 N/A LYS 72.A NZ GLU 326.A O no hydrogen 2.817 N/A LYS 72.A NZ GLU 326.A OE1 no hydrogen 2.809 N/A HIS 73.A N ARG 69.A O no hydrogen 3.121 N/A HIS 73.A N LEU 70.A O no hydrogen 3.079 N/A HIS 73.A NE2 ASP 303.A O no hydrogen 2.709 N/A MET 74.A N LEU 70.A O no hydrogen 3.270 N/A LYS 75.A N TYR 136.A OH no hydrogen 2.907 N/A LYS 75.A NZ LYS 72.A O no hydrogen 3.110 N/A GLU 77.A N GLU 77.A OE2 no hydrogen 2.810 N/A ASN 78.A N HIS 76.A ND1 no hydrogen 2.910 N/A ASN 78.A ND2 GLN 129.A OE1 no hydrogen 3.309 N/A ASN 78.A ND2 LEU 160.A O no hydrogen 3.027 N/A VAL 79.A N HIS 76.A O no hydrogen 3.228 N/A ILE 80.A N ILE 162.A O no hydrogen 2.851 N/A LEU 83.A N VAL 101.A O no hydrogen 2.762 N/A ASP 84.A N VAL 101.A O no hydrogen 3.355 N/A PHE 86.A N TYR 99.A O no hydrogen 2.981 N/A THR 87.A OG1 ASP 97.A O no hydrogen 2.836 N/A ALA 89.A N THR 87.A OG1 no hydrogen 3.235 N/A ARG 90.A N GLU 94.A OE1 no hydrogen 2.840 N/A SER 91.A OG GLU 94.A OE2 no hydrogen 3.403 N/A GLU 93.A N GLU 93.A OE2 no hydrogen 2.796 N/A GLU 94.A N SER 91.A O no hydrogen 3.134 N/A PHE 95.A N LEU 92.A O no hydrogen 3.124 N/A TYR 99.A N PHE 86.A O no hydrogen 3.023 N/A LEU 100.A N LYS 49.A O no hydrogen 2.829 N/A VAL 101.A N ASP 84.A O no hydrogen 2.793 N/A THR 102.A N ALA 47.A O no hydrogen 3.021 N/A HIS 103.A ND1.B ARG 45.A O no hydrogen 3.113 N/A LEU 104.A N ARG 45.A O no hydrogen 3.058 N/A ALA 107.A N VAL 154.A O no hydrogen 3.188 N/A LEU 109.A N PRO 149.A O no hydrogen 3.256 N/A LEU 109.A N LEU 152.A O no hydrogen 3.096 N/A ASN 110.A N ASP 108.A OD1 no hydrogen 2.787 N/A ILE 112.A N LEU 109.A O no hydrogen 3.105 N/A LYS 114.A N ASN 111.A O no hydrogen 3.116 N/A LEU 118.A N LEU 201.A O no hydrogen 2.931 N/A HIS 122.A N THR 119.A OG1 no hydrogen 3.094 N/A VAL 123.A N THR 119.A O no hydrogen 2.954 N/A GLN 124.A N ASP 120.A O no hydrogen 2.949 N/A GLN 124.A NE2 ASP 120.A OD2 no hydrogen 2.850 N/A PHE 125.A N ASP 121.A O no hydrogen 3.283 N/A LEU 126.A N HIS 122.A O no hydrogen 2.949 N/A ILE 127.A N VAL 123.A O no hydrogen 2.868 N/A TYR 128.A N GLN 124.A O no hydrogen 2.926 N/A TYR 128.A OH GLU 299.A OE2 no hydrogen 2.608 N/A GLN 129.A N PHE 125.A O no hydrogen 3.173 N/A GLN 129.A NE2 PHE 125.A O no hydrogen 3.391 N/A GLN 129.A NE2 CYS 158.A O no hydrogen 2.974 N/A ILE 130.A N LEU 126.A O no hydrogen 3.014 N/A LEU 131.A N ILE 127.A O no hydrogen 2.916 N/A ARG 132.A N TYR 128.A O no hydrogen 2.869 N/A ARG 132.A NE ASP 298.A O no hydrogen 2.817 N/A ARG 132.A NH1 GLU 77.A OE2 no hydrogen 3.394 N/A ARG 132.A NH1 ASN 78.A OD1 no hydrogen 2.832 N/A ARG 132.A NH2 GLU 77.A OE2 no hydrogen 3.380 N/A ARG 132.A NH2 ASP 298.A O no hydrogen 3.029 N/A ARG 132.A NH2 ASP 298.A OD1 no hydrogen 3.186 N/A GLY 133.A N GLN 129.A O no hydrogen 2.959 N/A LEU 134.A N ILE 130.A O no hydrogen 2.796 N/A LYS 135.A N LEU 131.A O no hydrogen 2.781 N/A LYS 135.A NZ GLU 299.A O no hydrogen 2.740 N/A TYR 136.A N ARG 132.A O no hydrogen 3.348 N/A TYR 136.A OH HIS 73.A O no hydrogen 3.332 N/A ILE 137.A N GLY 133.A O no hydrogen 2.988 N/A HIS 138.A N LEU 134.A O no hydrogen 2.827 N/A HIS 138.A NE2 ASP 190.A OD2 no hydrogen 2.850 N/A SER 139.A N LYS 135.A O no hydrogen 2.986 N/A SER 139.A N TYR 136.A O no hydrogen 3.139 N/A SER 139.A OG TYR 136.A O no hydrogen 2.675 N/A ALA 140.A N ILE 137.A O no hydrogen 3.079 N/A ASP 141.A N HIS 138.A O no hydrogen 2.805 N/A ILE 142.A N ILE 137.A O no hydrogen 3.393 N/A HIS 144.A N ASP 190.A OD2 no hydrogen 2.909 N/A HIS 144.A NE2 LEU 163.A O no hydrogen 2.795 N/A ARG 145.A N ASP 190.A OD1 no hydrogen 2.863 N/A ASP 146.A N HIS 144.A ND1 no hydrogen 3.015 N/A ASN 151.A N LYS 148.A O no hydrogen 2.979 N/A ASN 151.A ND2 ASP 146.A O no hydrogen 2.850 N/A LEU 152.A N PRO 149.A O no hydrogen 3.085 N/A ALA 153.A N LYS 161.A O no hydrogen 2.888 N/A VAL 154.A N ALA 107.A O no hydrogen 3.005 N/A ASN 155.A N GLU 159.A O no hydrogen 3.061 N/A ASN 155.A ND2 GLU 159.A OE1 no hydrogen 3.103 N/A CYS 158.A N ASN 155.A O no hydrogen 3.016 N/A CYS 158.A SG HIS 122.A NE2 no hydrogen 3.295 N/A GLU 159.A N ASN 155.A OD1 no hydrogen 2.966 N/A LEU 160.A N GLN 129.A OE1 no hydrogen 2.889 N/A LYS 161.A N ALA 153.A O no hydrogen 2.865 N/A LYS 161.A NZ GLU 77.A O no hydrogen 2.812 N/A ILE 162.A N ASN 78.A O no hydrogen 2.848 N/A LEU 163.A N ASN 151.A O no hydrogen 2.860 N/A LEU 167.A N ASP 164.A O no hydrogen 3.278 N/A ARG 169.A NH1 ASP 108.A OD2 no hydrogen 2.984 N/A TRP 172.A NE1 GLY 210.A O no hydrogen 2.879 N/A TYR 173.A OH GLU 200.A OE1 no hydrogen 2.607 N/A ARG 174.A N ARG 171.A O no hydrogen 3.146 N/A GLU 177.A N GLU 177.A OE1 no hydrogen 2.755 N/A ILE 178.A N ALA 175.A O no hydrogen 3.055 N/A MET 179.A N ALA 175.A O no hydrogen 3.456 N/A LEU 180.A N PRO 176.A O no hydrogen 2.998 N/A LEU 180.A N GLU 177.A O no hydrogen 3.282 N/A ASN 181.A N ILE 178.A O no hydrogen 3.353 N/A TRP 182.A N GLU 177.A O no hydrogen 3.100 N/A GLN 187.A NE2 HIS 138.A O no hydrogen 2.819 N/A THR 188.A OG1 SER 275.A O no hydrogen 3.043 N/A VAL 189.A N ASN 186.A O no hydrogen 3.061 N/A ASP 190.A N GLN 187.A O no hydrogen 2.973 N/A ILE 191.A N THR 188.A O no hydrogen 2.993 N/A TRP 192.A N THR 188.A O no hydrogen 3.223 N/A SER 193.A N VAL 189.A O no hydrogen 3.404 N/A SER 193.A OG TYR 173.A O no hydrogen 2.729 N/A SER 193.A OG VAL 189.A O no hydrogen 3.442 N/A VAL 194.A N ASP 190.A O no hydrogen 3.042 N/A GLY 195.A N ILE 191.A O no hydrogen 2.944 N/A CYS 196.A N TRP 192.A O no hydrogen 3.010 N/A CYS 196.A SG TRP 172.A O no hydrogen 4.005 N/A CYS 196.A SG TRP 192.A O no hydrogen 3.525 N/A ILE 197.A N SER 193.A O no hydrogen 2.917 N/A MET 198.A N VAL 194.A O no hydrogen 2.781 N/A ALA 199.A N GLY 195.A O no hydrogen 2.925 N/A GLU 200.A N CYS 196.A O no hydrogen 3.226 N/A LEU 201.A N ILE 197.A O no hydrogen 2.952 N/A LEU 202.A N MET 198.A O no hydrogen 3.043 N/A THR 203.A N ALA 199.A O no hydrogen 2.949 N/A THR 203.A OG1 ALA 199.A O no hydrogen 2.981 N/A GLY 204.A N GLU 200.A O no hydrogen 2.770 N/A ARG 205.A N THR 203.A OG1 no hydrogen 3.135 N/A GLY 210.A N PHE 208.A O no hydrogen 2.921 N/A GLY 210.A N GLN 216.A OE1 no hydrogen 2.970 N/A THR 211.A N ASP 215.A OD2 no hydrogen 2.938 N/A HIS 213.A NE2 MET 179.A O no hydrogen 3.128 N/A ASP 215.A N ASP 212.A OD1 no hydrogen 2.941 N/A GLN 216.A N ASP 212.A O no hydrogen 2.966 N/A GLN 216.A NE2 PHE 208.A O no hydrogen 2.810 N/A LEU 217.A N HIS 213.A O no hydrogen 3.186 N/A LYS 218.A N ILE 214.A O no hydrogen 2.913 N/A LEU 219.A N ASP 215.A O no hydrogen 2.941 N/A ILE 220.A N GLN 216.A O no hydrogen 3.138 N/A LEU 221.A N LEU 217.A O no hydrogen 3.045 N/A ARG 222.A N LYS 218.A O no hydrogen 3.035 N/A LEU 223.A N LEU 219.A O no hydrogen 3.185 N/A LEU 223.A N ILE 220.A O no hydrogen 3.196 N/A VAL 224.A N ILE 220.A O no hydrogen 2.998 N/A GLY 225.A N LEU 221.A O no hydrogen 2.878 N/A THR 226.A OG1 PRO 227.A O no hydrogen 3.274 N/A LEU 232.A N GLY 228.A O no hydrogen 2.965 N/A LYS 233.A N ALA 229.A O no hydrogen 3.261 N/A LYS 234.A N LEU 231.A O no hydrogen 2.905 N/A LYS 234.A NZ ASP 274.A OD1 no hydrogen 3.155 N/A LYS 234.A NZ ASP 274.A OD2 no hydrogen 2.758 N/A LYS 234.A NZ ASP 276.A OD2 no hydrogen 2.675 N/A ILE 235.A N LEU 232.A O no hydrogen 3.186 N/A SER 239.A OG SER 237.A OG no hydrogen 2.881 N/A ALA 240.A N SER 237.A OG no hydrogen 2.829 N/A ARG 241.A N SER 237.A O no hydrogen 2.987 N/A ARG 241.A NE ILE 235.A O no hydrogen 3.363 N/A ASN 242.A N GLU 238.A O no hydrogen 2.821 N/A ASN 242.A ND2 GLN 245.A OE1 no hydrogen 3.445 N/A TYR 243.A N SER 239.A O no hydrogen 2.703 N/A ILE 244.A N ALA 240.A O no hydrogen 2.845 N/A GLN 245.A N ARG 241.A O no hydrogen 3.066 N/A SER 246.A N TYR 243.A O no hydrogen 3.109 N/A SER 246.A OG TYR 243.A O no hydrogen 2.837 N/A LEU 247.A N ILE 244.A O no hydrogen 3.170 N/A MET 250.A N ARG 222.A O no hydrogen 2.959 N/A VAL 255.A N PHE 252.A O no hydrogen 3.070 N/A PHE 256.A N ALA 253.A O no hydrogen 3.147 N/A ALA 259.A N PHE 256.A O no hydrogen 3.110 N/A ASN 260.A ND2 ASP 120.A OD2 no hydrogen 2.916 N/A LEU 262.A N ASN 260.A OD1 no hydrogen 2.988 N/A VAL 264.A N ASN 260.A O no hydrogen 3.084 N/A ASP 265.A N PRO 261.A O no hydrogen 2.893 N/A LEU 266.A N LEU 262.A O no hydrogen 3.074 N/A LEU 267.A N ALA 263.A O no hydrogen 2.883 N/A GLU 268.A N VAL 264.A O no hydrogen 2.879 N/A LYS 269.A N ASP 265.A O no hydrogen 3.249 N/A LYS 269.A N LEU 266.A O no hydrogen 3.016 N/A LYS 269.A NZ ASP 265.A OD2 no hydrogen 2.946 N/A MET 270.A N LEU 266.A O no hydrogen 3.018 N/A MET 270.A N LEU 267.A O no hydrogen 3.091 N/A LEU 271.A N LEU 267.A O no hydrogen 2.893 N/A ASP 276.A N ASP 274.A OD1 no hydrogen 3.106 N/A LYS 277.A N ASP 274.A O no hydrogen 2.910 N/A ARG 278.A N SER 275.A O no hydrogen 3.462 N/A ARG 278.A NE VAL 272.A O no hydrogen 2.700 N/A ARG 278.A NH1 GLU 177.A OE2 no hydrogen 2.801 N/A ARG 278.A NH1 THR 188.A O no hydrogen 3.056 N/A ARG 278.A NH2 GLU 177.A OE1 no hydrogen 2.840 N/A ARG 278.A NH2 GLU 177.A OE2 no hydrogen 3.383 N/A ARG 278.A NH2 VAL 272.A O no hydrogen 3.463 N/A ARG 278.A NH2 LEU 273.A O no hydrogen 2.964 N/A ILE 279.A N LYS 269.A O no hydrogen 3.000 N/A GLN 283.A N THR 280.A OG1 no hydrogen 3.064 N/A ALA 284.A N THR 280.A O no hydrogen 2.909 N/A LEU 285.A N ALA 281.A O no hydrogen 2.986 N/A ALA 286.A N GLN 283.A O no hydrogen 3.150 N/A HIS 287.A N ALA 284.A O no hydrogen 2.989 N/A HIS 287.A NE2 ASP 265.A OD2 no hydrogen 2.697 N/A TYR 289.A N HIS 287.A ND1 no hydrogen 2.955 N/A TYR 289.A OH ASP 120.A OD1 no hydrogen 2.706 N/A PHE 290.A N HIS 287.A O no hydrogen 2.968 N/A ALA 291.A N ALA 288.A O no hydrogen 3.110 N/A TYR 293.A N PHE 290.A O no hydrogen 2.834 N/A HIS 294.A N PHE 290.A O no hydrogen 2.934 N/A HIS 294.A ND1 GLU 299.A OE2 no hydrogen 2.848 N/A ASP 295.A N GLU 299.A OE2 no hydrogen 3.074 N/A ASP 297.A N ASP 295.A OD1 no hydrogen 2.873 N/A ASP 298.A N ASP 295.A O no hydrogen 2.891 N/A ALA 302.A N SER 139.A OG no hydrogen 2.717 N/A GLN 307.A NE2 ASP 141.A O no hydrogen 2.858 N/A SER 308.A N ASP 306.A OD1 no hydrogen 2.898 N/A SER 308.A OG ASP 306.A OD1 no hydrogen 2.788 N/A GLU 310.A N GLN 307.A O no hydrogen 2.938 N/A SER 311.A N SER 308.A O no hydrogen 3.256 N/A SER 311.A OG SER 308.A O no hydrogen 3.177 N/A ARG 312.A N PHE 309.A O no hydrogen 2.966 N/A ARG 312.A NH1 SER 311.A OG no hydrogen 3.340 N/A GLU 318.A N LEU 315.A O no hydrogen 3.015 N/A TRP 319.A N LEU 315.A O no hydrogen 3.109 N/A LYS 320.A N ILE 316.A O no hydrogen 2.783 N/A SER 321.A N ASP 317.A O no hydrogen 2.973 N/A LEU 322.A N GLU 318.A O no hydrogen 2.856 N/A THR 323.A N TRP 319.A O no hydrogen 2.893 N/A THR 323.A OG1 TRP 319.A O no hydrogen 2.863 N/A TYR 324.A N LYS 320.A O no hydrogen 2.864 N/A ASP 325.A N SER 321.A O no hydrogen 2.955 N/A GLU 326.A N LEU 322.A O no hydrogen 3.200 N/A VAL 327.A N THR 323.A O no hydrogen 2.935 N/A ILE 328.A N TYR 324.A O no hydrogen 2.975 N/A SER 329.A N ASP 325.A O no hydrogen 3.048 N/A SER 329.A OG ASP 325.A O no hydrogen 3.129 N/A SER 329.A OG GLU 326.A O no hydrogen 3.470 N/A PHE 330.A N VAL 327.A O no hydrogen 3.359 N/A