Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4r8u_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 1.A NH1 ARG 231.A O no hydrogen 3.222 N/A ARG 1.A NH2 ARG 231.A O no hydrogen 3.062 N/A LYS 2.A N THR 109.A OG1 no hydrogen 3.023 N/A LYS 2.A NZ THR 109.A O no hydrogen 3.524 N/A ILE 3.A N ALA 142.A O no hydrogen 2.973 N/A ILE 4.A N LEU 106.A O no hydrogen 2.907 N/A HIS 5.A N GLY 140.A O no hydrogen 2.860 N/A HIS 5.A ND1 SER 152.A OG no hydrogen 2.974 N/A VAL 6.A N ALA 104.A O no hydrogen 3.076 N/A ASP 7.A N SER 138.A O no hydrogen 2.797 N/A MET 8.A N ASP 102.A O no hydrogen 3.131 N/A ASP 9.A N THR 136.A O no hydrogen 3.072 N/A ALA 14.A N CYS 10.A O no hydrogen 2.781 N/A VAL 15.A N PHE 11.A O no hydrogen 3.241 N/A GLU 16.A N PHE 12.A O no hydrogen 3.236 N/A MET 17.A N ALA 13.A O no hydrogen 2.894 N/A ARG 18.A N ALA 14.A O no hydrogen 2.963 N/A ARG 18.A NE ASP 19.A OD1 no hydrogen 2.922 N/A ARG 18.A NH1 LEU 133.A O no hydrogen 2.949 N/A ARG 18.A NH2 ASP 19.A OD1 no hydrogen 3.374 N/A ASP 19.A N VAL 15.A O no hydrogen 3.233 N/A ASN 20.A N GLU 16.A O no hydrogen 2.842 N/A ALA 22.A N ASN 20.A OD1 no hydrogen 3.182 N/A LEU 23.A N ASN 20.A O no hydrogen 3.153 N/A ARG 24.A N PRO 21.A O no hydrogen 3.414 N/A ILE 28.A N ASN 44.A OD1 no hydrogen 3.123 N/A ALA 29.A N THR 69.A O no hydrogen 2.878 N/A ILE 30.A N THR 42.A O no hydrogen 2.800 N/A GLY 31.A N LEU 71.A O no hydrogen 3.090 N/A GLY 32.A N VAL 39.A O no hydrogen 3.275 N/A ARG 36.A N SER 33.A O no hydrogen 3.077 N/A ARG 36.A N SER 33.A OG no hydrogen 3.258 N/A ARG 37.A N ARG 34.A O no hydrogen 2.925 N/A ARG 37.A NH1 MET 248.A O no hydrogen 2.734 N/A ARG 37.A NH1 ASP 251.A OD1 no hydrogen 2.913 N/A ARG 37.A NH2 ASP 251.A OD1 no hydrogen 2.788 N/A GLY 38.A N SER 33.A O no hydrogen 2.918 N/A ILE 40.A N MET 56.A O no hydrogen 2.827 N/A SER 41.A N ILE 30.A O no hydrogen 2.569 N/A THR 42.A N ILE 30.A O no hydrogen 3.345 N/A ASN 44.A N ILE 28.A O no hydrogen 3.116 N/A ASN 44.A ND2 ILE 26.A O no hydrogen 3.059 N/A ALA 47.A N ASN 44.A OD1 no hydrogen 3.196 N/A ARG 48.A N ASN 44.A O no hydrogen 2.937 N/A ARG 48.A NE ALA 43.A O no hydrogen 2.822 N/A ARG 48.A NH2 THR 42.A OG1 no hydrogen 3.348 N/A ARG 48.A NH2 ALA 43.A O no hydrogen 3.285 N/A LYS 49.A N TYR 45.A O no hydrogen 3.187 N/A PHE 50.A N ALA 47.A O no hydrogen 3.120 N/A GLY 51.A N ARG 48.A O no hydrogen 2.846 N/A ARG 53.A NH1 ARG 48.A O no hydrogen 2.883 N/A ARG 53.A NH1 VAL 52.A O no hydrogen 3.023 N/A SER 54.A OG SER 41.A O no hydrogen 2.649 N/A ALA 55.A N ILE 40.A O no hydrogen 2.816 N/A MET 56.A N ARG 53.A O no hydrogen 3.379 N/A THR 58.A N GLY 38.A O no hydrogen 3.050 N/A THR 58.A OG1 GLY 32.A O no hydrogen 2.516 N/A ALA 61.A N PRO 57.A O no hydrogen 3.182 N/A LEU 62.A N THR 58.A O no hydrogen 3.128 N/A LEU 62.A N GLY 59.A O no hydrogen 3.340 N/A LYS 63.A N GLY 59.A O no hydrogen 3.275 N/A LEU 64.A N MET 60.A O no hydrogen 3.072 N/A CYS 65.A N ALA 61.A O no hydrogen 3.053 N/A LEU 68.A N CYS 65.A O no hydrogen 2.903 N/A THR 69.A N PRO 27.A O no hydrogen 2.963 N/A LEU 71.A N ALA 29.A O no hydrogen 2.919 N/A ARG 74.A N TYR 78.A OH no hydrogen 3.241 N/A ARG 74.A NH1 GLU 16.A OE1 no hydrogen 3.120 N/A ARG 74.A NH1 GLU 16.A OE2 no hydrogen 3.219 N/A ARG 74.A NH1 ASP 19.A OD2 no hydrogen 3.044 N/A ARG 74.A NH2 ASP 19.A OD2 no hydrogen 2.787 N/A TYR 78.A N ARG 74.A O no hydrogen 3.433 N/A TYR 78.A OH GLU 16.A OE2 no hydrogen 3.172 N/A LYS 79.A N PHE 75.A O no hydrogen 2.762 N/A GLU 80.A N ASP 76.A O no hydrogen 3.094 N/A ALA 81.A N ALA 77.A O no hydrogen 3.261 N/A SER 82.A N TYR 78.A O no hydrogen 2.988 N/A SER 82.A OG LEU 101.A O no hydrogen 2.977 N/A ASN 83.A N LYS 79.A O no hydrogen 2.925 N/A HIS 84.A N GLU 80.A O no hydrogen 2.988 N/A HIS 84.A NE2 GLU 132.A OE1 no hydrogen 2.938 N/A ILE 85.A N ALA 81.A O no hydrogen 2.809 N/A ARG 86.A N SER 82.A O no hydrogen 3.059 N/A ARG 86.A NH2 SER 100.A O no hydrogen 2.872 N/A GLU 87.A N ASN 83.A O no hydrogen 3.112 N/A ILE 88.A N HIS 84.A O no hydrogen 3.025 N/A PHE 89.A N ILE 85.A O no hydrogen 3.066 N/A SER 90.A N ARG 86.A O no hydrogen 3.079 N/A SER 90.A OG GLU 87.A O no hydrogen 2.660 N/A ARG 91.A N ILE 88.A O no hydrogen 3.027 N/A ARG 91.A NE GLU 87.A OE2 no hydrogen 2.641 N/A ARG 91.A NH1 GLU 132.A OE2 no hydrogen 2.740 N/A ARG 91.A NH2 GLU 87.A OE1 no hydrogen 2.838 N/A ARG 91.A NH2 GLU 87.A OE2 no hydrogen 3.348 N/A ARG 91.A NH2 GLU 132.A OE1 no hydrogen 2.859 N/A ARG 91.A NH2 GLU 132.A OE2 no hydrogen 3.248 N/A TYR 92.A N PHE 89.A O no hydrogen 3.056 N/A THR 93.A N PHE 89.A O no hydrogen 3.189 N/A THR 93.A OG1 ASP 107.A O no hydrogen 3.192 N/A ARG 95.A N THR 93.A OG1 no hydrogen 3.010 N/A ARG 95.A NH2 ASP 232.A OD1 no hydrogen 3.240 N/A ARG 95.A NH2 VAL 233.A O no hydrogen 2.954 N/A GLU 97.A N TYR 105.A O no hydrogen 3.072 N/A LEU 99.A N GLU 103.A O no hydrogen 2.759 N/A SER 100.A OG ASP 102.A OD1 no hydrogen 2.836 N/A ASP 102.A N SER 100.A OG no hydrogen 3.380 N/A ALA 104.A N VAL 6.A O no hydrogen 3.289 N/A TYR 105.A N GLU 97.A O no hydrogen 3.074 N/A LEU 106.A N ILE 4.A O no hydrogen 2.699 N/A ASP 107.A N ARG 95.A O no hydrogen 3.095 N/A VAL 108.A N LYS 2.A O no hydrogen 2.996 N/A THR 109.A N ASP 107.A OD1 no hydrogen 3.418 N/A THR 109.A OG1 ASP 107.A OD1 no hydrogen 2.763 N/A SER 111.A N VAL 108.A O no hydrogen 3.225 N/A HIS 113.A N SER 111.A OG no hydrogen 2.985 N/A CYS 114.A SG GLU 124.A OE1 no hydrogen 3.104 N/A GLY 116.A N HIS 113.A O no hydrogen 2.860 N/A SER 117.A N CYS 114.A O no hydrogen 3.140 N/A LEU 120.A N SER 117.A OG no hydrogen 3.268 N/A ILE 121.A N SER 117.A O no hydrogen 2.906 N/A ALA 122.A N ALA 118.A O no hydrogen 2.936 N/A GLN 123.A N THR 119.A O no hydrogen 3.063 N/A GLU 124.A N LEU 120.A O no hydrogen 2.921 N/A ILE 125.A N ILE 121.A O no hydrogen 2.785 N/A ARG 126.A N ALA 122.A O no hydrogen 2.924 N/A ARG 126.A NE ALA 137.A O no hydrogen 2.980 N/A ARG 126.A NH1 GLN 160.A OE1 no hydrogen 3.059 N/A ARG 126.A NH2 ASN 158.A OD1 no hydrogen 3.209 N/A GLN 127.A N GLN 123.A O no hydrogen 3.047 N/A THR 128.A N GLU 124.A O no hydrogen 2.933 N/A THR 128.A OG1 GLU 124.A O no hydrogen 2.959 N/A ILE 129.A N ILE 125.A O no hydrogen 3.073 N/A PHE 130.A N ARG 126.A O no hydrogen 3.165 N/A ASN 131.A N GLN 127.A O no hydrogen 3.047 N/A GLU 132.A N THR 128.A O no hydrogen 2.875 N/A LEU 133.A N ILE 129.A O no hydrogen 3.025 N/A GLN 134.A N PHE 130.A O no hydrogen 2.999 N/A THR 136.A OG1 ASP 9.A OD2 no hydrogen 2.879 N/A SER 138.A N ASP 7.A O no hydrogen 2.790 N/A SER 138.A OG ASP 9.A OD1 no hydrogen 3.025 N/A SER 138.A OG GLY 159.A O no hydrogen 3.400 N/A ALA 139.A N GLY 159.A O no hydrogen 3.220 N/A GLY 140.A N HIS 5.A O no hydrogen 2.852 N/A VAL 141.A N PHE 161.A O no hydrogen 2.989 N/A ALA 142.A N ILE 3.A O no hydrogen 3.067 N/A LYS 145.A NZ GLU 97.A OE1 no hydrogen 2.853 N/A LYS 145.A NZ ASP 232.A O no hydrogen 2.888 N/A PHE 146.A N ASP 229.A OD2 no hydrogen 2.974 N/A ALA 148.A N VAL 144.A O no hydrogen 3.100 N/A LYS 149.A N LYS 145.A O no hydrogen 3.012 N/A LYS 149.A NZ GLU 103.A OE2 no hydrogen 3.428 N/A ILE 150.A N PHE 146.A O no hydrogen 3.034 N/A ALA 151.A N LEU 147.A O no hydrogen 2.923 N/A SER 152.A N ALA 148.A O no hydrogen 3.102 N/A SER 152.A N LYS 149.A O no hydrogen 3.285 N/A SER 152.A OG HIS 5.A ND1 no hydrogen 2.974 N/A SER 152.A OG LYS 149.A O no hydrogen 2.747 N/A ASP 153.A N ILE 150.A O no hydrogen 3.016 N/A MET 154.A N ALA 151.A O no hydrogen 3.253 N/A ASN 155.A ND2 GLN 160.A O no hydrogen 2.811 N/A LYS 156.A NZ ASP 7.A O no hydrogen 3.397 N/A LYS 156.A NZ ASP 9.A OD1 no hydrogen 3.052 N/A ASN 158.A N ASP 9.A OD2 no hydrogen 2.815 N/A GLN 160.A NE2 THR 119.A O no hydrogen 3.224 N/A PHE 161.A N ALA 139.A O no hydrogen 3.042 N/A ILE 163.A N VAL 141.A O no hydrogen 2.885 N/A THR 164.A N GLU 167.A OE2 no hydrogen 3.272 N/A GLU 167.A N THR 164.A O no hydrogen 2.872 N/A VAL 168.A N PRO 165.A O no hydrogen 3.402 N/A PHE 171.A N GLU 167.A O no hydrogen 2.959 N/A LEU 172.A N VAL 168.A O no hydrogen 2.910 N/A GLN 173.A N PRO 169.A O no hydrogen 3.250 N/A LEU 175.A N LEU 172.A O no hydrogen 2.970 N/A LEU 177.A N ARG 197.A O no hydrogen 2.858 N/A LYS 179.A N PRO 176.A O no hydrogen 2.893 N/A ILE 180.A N LEU 177.A O no hydrogen 3.039 N/A VAL 183.A N ILE 180.A O no hydrogen 2.840 N/A ALA 188.A N GLY 184.A O no hydrogen 2.865 N/A ALA 189.A N LYS 185.A O no hydrogen 3.001 N/A LYS 190.A N VAL 186.A O no hydrogen 3.094 N/A LEU 191.A N SER 187.A O no hydrogen 2.874 N/A GLU 192.A N ALA 188.A O no hydrogen 2.959 N/A ALA 193.A N ALA 189.A O no hydrogen 3.013 N/A MET 194.A N LEU 191.A O no hydrogen 2.811 N/A GLY 195.A N GLU 192.A O no hydrogen 3.144 N/A LEU 196.A N LEU 191.A O no hydrogen 3.038 N/A ARG 197.A N ASP 201.A OD2 no hydrogen 2.855 N/A THR 198.A N ASP 201.A OD2 no hydrogen 3.050 N/A CYS 199.A N LEU 175.A O no hydrogen 2.794 N/A CYS 199.A SG LEU 175.A O no hydrogen 3.861 N/A ASP 201.A N THR 198.A OG1 no hydrogen 3.324 N/A VAL 202.A N THR 198.A O no hydrogen 3.384 N/A VAL 202.A N CYS 199.A O no hydrogen 3.247 N/A GLN 203.A N CYS 199.A O no hydrogen 3.148 N/A GLN 203.A NE2 SER 225.A O no hydrogen 2.690 N/A CYS 205.A N VAL 202.A O no hydrogen 3.328 N/A CYS 205.A SG VAL 202.A O no hydrogen 3.167 N/A MET 209.A N ASP 206.A OD2 no hydrogen 2.686 N/A LEU 210.A N ASP 206.A O no hydrogen 3.428 N/A LEU 211.A N LEU 207.A O no hydrogen 2.915 N/A LYS 212.A N VAL 208.A O no hydrogen 2.863 N/A ARG 213.A N MET 209.A O no hydrogen 2.916 N/A PHE 214.A N LEU 210.A O no hydrogen 2.964 N/A GLY 215.A N LEU 211.A O no hydrogen 2.844 N/A GLY 218.A N GLY 215.A O no hydrogen 3.185 N/A ARG 219.A N LYS 216.A O no hydrogen 2.931 N/A ILE 220.A N LYS 216.A O no hydrogen 3.065 N/A LEU 221.A N PHE 217.A O no hydrogen 2.849 N/A TRP 222.A N GLY 218.A O no hydrogen 3.129 N/A GLU 223.A N ARG 219.A O no hydrogen 2.925 N/A ARG 224.A N ILE 220.A O no hydrogen 2.998 N/A SER 225.A N LEU 221.A O no hydrogen 3.170 N/A SER 225.A OG LEU 221.A O no hydrogen 2.888 N/A GLN 226.A N GLU 223.A O no hydrogen 2.683 N/A GLY 227.A N ARG 224.A O no hydrogen 3.019 N/A ILE 228.A N GLU 223.A O no hydrogen 3.040 N/A ARG 231.A NH1 ASP 229.A OD1 no hydrogen 2.857 N/A ASN 234.A N GLU 97.A OE1 no hydrogen 3.127 N/A ARG 237.A NH1 GLU 97.A OE2 no hydrogen 2.573 N/A VAL 242.A N VAL 335.A O no hydrogen 3.093 N/A VAL 244.A N LEU 333.A O no hydrogen 2.977 N/A ARG 246.A N VAL 331.A O no hydrogen 3.035 N/A MET 248.A N ARG 329.A O no hydrogen 2.745 N/A ILE 252.A N VAL 328.A O no hydrogen 2.840 N/A HIS 254.A N GLU 257.A OE1 no hydrogen 3.430 N/A GLU 257.A N HIS 254.A O no hydrogen 3.112 N/A CYS 258.A N HIS 254.A O no hydrogen 3.388 N/A GLU 259.A N TRP 255.A O no hydrogen 2.888 N/A ALA 260.A N SER 256.A O no hydrogen 3.007 N/A ILE 261.A N GLU 257.A O no hydrogen 3.104 N/A ILE 262.A N CYS 258.A O no hydrogen 3.051 N/A GLU 263.A N GLU 259.A O no hydrogen 2.951 N/A ARG 264.A N ALA 260.A O no hydrogen 3.204 N/A ARG 264.A N ILE 261.A O no hydrogen 3.216 N/A LEU 265.A N ILE 261.A O no hydrogen 2.880 N/A TYR 266.A N ILE 262.A O no hydrogen 2.896 N/A TYR 266.A OH GLU 270.A OE2 no hydrogen 3.115 N/A LEU 269.A N LEU 265.A O no hydrogen 3.149 N/A GLU 270.A N TYR 266.A O no hydrogen 2.872 N/A ARG 271.A N PRO 267.A O no hydrogen 2.905 N/A ARG 271.A NE GLU 268.A OE2 no hydrogen 2.823 N/A ARG 271.A NH2 GLU 268.A OE1 no hydrogen 2.408 N/A ARG 271.A NH2 GLU 268.A OE2 no hydrogen 3.140 N/A ARG 272.A N GLU 268.A O no hydrogen 3.136 N/A LEU 273.A N LEU 269.A O no hydrogen 2.897 N/A ALA 274.A N GLU 270.A O no hydrogen 2.688 N/A LYS 275.A N ARG 272.A O no hydrogen 3.328 N/A VAL 276.A N LEU 273.A O no hydrogen 3.132 N/A LYS 277.A N LEU 273.A O no hydrogen 2.771 N/A ASP 279.A N ASP 279.A OD1 no hydrogen 2.602 N/A LEU 280.A N LYS 277.A O no hydrogen 2.811 N/A ILE 282.A N PRO 304.A O no hydrogen 3.061 N/A ALA 283.A N THR 336.A O no hydrogen 2.924 N/A ARG 284.A N THR 336.A O no hydrogen 3.260 N/A GLN 285.A N HIS 301.A O no hydrogen 3.163 N/A GLY 286.A N HIS 334.A O no hydrogen 2.732 N/A VAL 287.A N GLN 299.A O no hydrogen 2.931 N/A LYS 288.A N GLY 332.A O no hydrogen 2.727 N/A LYS 288.A NZ GLU 245.A OE1 no hydrogen 3.142 N/A LYS 288.A NZ GLU 245.A OE2 no hydrogen 3.367 N/A LEU 289.A N THR 297.A O no hydrogen 2.821 N/A LYS 290.A N LEU 330.A O no hydrogen 3.084 N/A LYS 290.A NZ PHE 294.A O no hydrogen 3.350 N/A PHE 291.A N GLN 295.A O no hydrogen 2.751 N/A ASP 292.A N GLY 327.A O no hydrogen 2.829 N/A PHE 294.A N PHE 291.A O no hydrogen 2.791 N/A GLN 295.A N ASP 293.A OD1 no hydrogen 3.114 N/A THR 297.A N LEU 289.A O no hydrogen 2.781 N/A GLN 299.A N VAL 287.A O no hydrogen 3.076 N/A HIS 301.A N GLN 285.A O no hydrogen 3.060 N/A HIS 301.A NE2 ASP 310.A OD2 no hydrogen 2.766 N/A TRP 303.A N ALA 283.A O no hydrogen 2.991 N/A ARG 305.A NH1 LEU 306.A O no hydrogen 3.563 N/A LEU 306.A N LEU 280.A O no hydrogen 3.078 N/A ASN 307.A N GLN 285.A OE1 no hydrogen 2.575 N/A LYS 308.A NZ GLU 263.A OE1 no hydrogen 2.413 N/A ASP 310.A N ASN 307.A OD1 no hydrogen 2.940 N/A LEU 311.A N ASN 307.A O no hydrogen 3.136 N/A ILE 312.A N LYS 308.A O no hydrogen 2.897 N/A ALA 313.A N ALA 309.A O no hydrogen 2.914 N/A THR 314.A N ASP 310.A O no hydrogen 2.903 N/A THR 314.A OG1 ASP 310.A O no hydrogen 2.751 N/A ALA 315.A N LEU 311.A O no hydrogen 2.969 N/A ARG 316.A N ILE 312.A O no hydrogen 3.026 N/A LYS 317.A N ALA 313.A O no hydrogen 3.342 N/A THR 318.A N THR 314.A O no hydrogen 3.069 N/A THR 318.A OG1 GLN 299.A OE1 no hydrogen 3.037 N/A THR 318.A OG1 THR 314.A O no hydrogen 2.760 N/A TRP 319.A N ALA 315.A O no hydrogen 2.820 N/A ASP 320.A N ARG 316.A O no hydrogen 2.803 N/A GLU 321.A N LYS 317.A O no hydrogen 2.845 N/A ARG 322.A N THR 318.A O no hydrogen 2.827 N/A ARG 322.A NH1 THR 297.A OG1 no hydrogen 2.810 N/A ARG 322.A NH1 THR 298.A O no hydrogen 2.951 N/A ARG 323.A NH1 ARG 326.A O no hydrogen 2.891 N/A ARG 326.A N ARG 323.A O no hydrogen 3.073 N/A ARG 326.A NE ARG 323.A O no hydrogen 2.925 N/A ARG 326.A NH1 ASP 293.A OD2 no hydrogen 3.195 N/A ARG 326.A NH2 ARG 322.A O no hydrogen 2.937 N/A GLY 327.A N ASP 292.A OD2 no hydrogen 2.725 N/A VAL 328.A N ILE 252.A O no hydrogen 3.037 N/A ARG 329.A N LYS 290.A O no hydrogen 2.940 N/A LEU 330.A N LYS 290.A O no hydrogen 3.424 N/A VAL 331.A N ARG 246.A O no hydrogen 3.134 N/A GLY 332.A N LYS 288.A O no hydrogen 2.746 N/A LEU 333.A N VAL 244.A O no hydrogen 2.842 N/A HIS 334.A N GLY 286.A O no hydrogen 2.817 N/A VAL 335.A N VAL 242.A O no hydrogen 2.948 N/A THR 336.A N ARG 284.A O no hydrogen 2.921 N/A LEU 337.A N LYS 240.A O no hydrogen 3.002 N/A