Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3rui_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 5.A N ASP 1.A O no hydrogen 3.159 N/A ALA 6.A N PRO 2.A O no hydrogen 2.945 N/A ASP 7.A N LEU 3.A O no hydrogen 3.032 N/A GLN 8.A N LYS 4.A O no hydrogen 2.930 N/A SER 9.A N ILE 5.A O no hydrogen 2.853 N/A SER 9.A OG ILE 5.A O no hydrogen 2.642 N/A VAL 10.A N ALA 6.A O no hydrogen 3.055 N/A ASP 11.A N ASP 7.A O no hydrogen 3.050 N/A LEU 12.A N GLN 8.A O no hydrogen 2.963 N/A ASN 13.A N SER 9.A O no hydrogen 3.121 N/A LEU 14.A N VAL 10.A O no hydrogen 3.150 N/A LYS 15.A N ASP 11.A O no hydrogen 2.856 N/A LEU 16.A N LEU 12.A O no hydrogen 2.945 N/A LYS 17.A NZ PRO 22.A O no hydrogen 2.823 N/A LYS 17.A NZ LEU 24.A O no hydrogen 2.801 N/A TRP 18.A N LYS 15.A O no hydrogen 2.837 N/A ARG 19.A N LEU 16.A O no hydrogen 2.899 N/A LEU 24.A N LEU 21.A O no hydrogen 2.890 N/A ASN 25.A N GLN 231.A OE1 no hydrogen 2.851 N/A ILE 28.A N ASN 25.A OD1 no hydrogen 2.911 N/A LYS 30.A N LEU 26.A O no hydrogen 2.979 N/A ASN 31.A N ASP 27.A O no hydrogen 2.994 N/A THR 32.A N ILE 29.A O no hydrogen 3.248 N/A THR 32.A OG1 ILE 28.A O no hydrogen 2.660 N/A LYS 33.A N ASP 136.A OD2 no hydrogen 2.923 N/A VAL 34.A N LYS 57.A O no hydrogen 2.968 N/A LEU 35.A N ILE 137.A O no hydrogen 2.988 N/A LEU 36.A N THR 59.A O no hydrogen 2.831 N/A LEU 37.A N PHE 139.A O no hydrogen 2.920 N/A GLY 38.A N VAL 61.A O no hydrogen 2.874 N/A ALA 39.A N ASP 62.A OD2 no hydrogen 2.861 N/A THR 41.A OG1 ARG 73.A O no hydrogen 2.754 N/A CYS 44.A N GLY 40.A O no hydrogen 2.914 N/A CYS 44.A SG ALA 39.A O no hydrogen 3.691 N/A CYS 44.A SG GLY 40.A O no hydrogen 3.436 N/A TYR 45.A N THR 41.A O no hydrogen 3.245 N/A VAL 46.A N LEU 42.A O no hydrogen 2.761 N/A SER 47.A N GLY 43.A O no hydrogen 3.063 N/A SER 47.A OG GLY 43.A O no hydrogen 3.389 N/A SER 47.A OG CYS 44.A O no hydrogen 2.829 N/A ARG 48.A N CYS 44.A O no hydrogen 3.113 N/A ARG 48.A NE ALA 75.A O no hydrogen 2.905 N/A ARG 48.A NH2 ALA 75.A O no hydrogen 2.972 N/A ALA 49.A N TYR 45.A O no hydrogen 3.084 N/A LEU 50.A N VAL 46.A O no hydrogen 2.925 N/A ILE 51.A N SER 47.A O no hydrogen 3.069 N/A TRP 53.A N ALA 49.A O no hydrogen 3.319 N/A TRP 53.A N LEU 50.A O no hydrogen 3.003 N/A TRP 53.A NE1 GLU 225.A OE2 no hydrogen 2.877 N/A GLY 54.A N ILE 51.A O no hydrogen 2.960 N/A VAL 55.A N LEU 50.A O no hydrogen 3.230 N/A ARG 56.A N LYS 30.A O no hydrogen 3.225 N/A LYS 57.A NZ ASP 101.A OD2 no hydrogen 3.049 N/A ILE 58.A N ASP 101.A O no hydrogen 3.235 N/A THR 59.A N VAL 34.A O no hydrogen 2.959 N/A THR 59.A OG1 HIS 135.A NE2 no hydrogen 2.777 N/A PHE 60.A N THR 103.A O no hydrogen 2.851 N/A VAL 61.A N LEU 36.A O no hydrogen 2.917 N/A ASP 62.A N VAL 105.A O no hydrogen 3.146 N/A ASN 63.A ND2 SER 108.A OG no hydrogen 2.878 N/A GLY 64.A N ASP 62.A OD1 no hydrogen 2.750 N/A VAL 66.A N LYS 84.A O no hydrogen 2.753 N/A SER 67.A N ASN 70.A OD1 no hydrogen 2.876 N/A ASN 70.A N SER 67.A O no hydrogen 3.052 N/A ARG 73.A N ASN 70.A O no hydrogen 2.929 N/A ARG 73.A NH1 THR 213.A O no hydrogen 2.778 N/A ARG 73.A NH2 THR 213.A O no hydrogen 2.869 N/A GLN 74.A N ASN 70.A O no hydrogen 2.726 N/A TYR 77.A N GLN 74.A O no hydrogen 3.228 N/A TYR 77.A OH ALA 39.A O no hydrogen 2.755 N/A ASN 78.A N ASP 81.A OD2 no hydrogen 2.662 N/A ASP 81.A N ASN 78.A O no hydrogen 2.867 N/A CYS 82.A N PHE 79.A O no hydrogen 3.227 N/A CYS 82.A SG SER 67.A O no hydrogen 3.581 N/A CYS 82.A SG PHE 79.A O no hydrogen 3.369 N/A GLY 83.A N VAL 66.A O no hydrogen 2.703 N/A LYS 84.A N ASP 81.A O no hydrogen 3.062 N/A LYS 84.A NZ ASP 81.A OD1 no hydrogen 2.964 N/A LYS 86.A N GLY 64.A O no hydrogen 2.958 N/A LYS 86.A NZ ASN 70.A OD1 no hydrogen 3.458 N/A LYS 86.A NZ GLN 74.A OE1 no hydrogen 2.865 N/A ALA 90.A N LYS 86.A O no hydrogen 2.813 N/A ALA 91.A N ALA 87.A O no hydrogen 3.122 N/A ALA 92.A N GLU 88.A O no hydrogen 3.020 N/A SER 93.A N LEU 89.A O no hydrogen 2.782 N/A SER 93.A OG LEU 76.A O no hydrogen 2.905 N/A LEU 94.A N ALA 90.A O no hydrogen 3.009 N/A LYS 95.A N ALA 91.A O no hydrogen 3.194 N/A ARG 96.A N ALA 92.A O no hydrogen 3.004 N/A ILE 97.A N SER 93.A O no hydrogen 3.138 N/A PHE 98.A N LEU 94.A O no hydrogen 2.979 N/A ASP 101.A N ARG 56.A O no hydrogen 2.780 N/A THR 103.A N ILE 58.A O no hydrogen 3.065 N/A VAL 105.A N PHE 60.A O no hydrogen 2.815 N/A LYS 106.A NZ ASN 63.A O no hydrogen 2.613 N/A GLY 112.A N LEU 292.A O no hydrogen 2.764 N/A HIS 113.A NE2 GLU 146.A OE2 no hydrogen 2.996 N/A LEU 115.A N GLU 293.A OE2 no hydrogen 3.039 N/A VAL 116.A N GLN 121.A OE1 no hydrogen 2.903 N/A ASN 117.A N GLN 121.A OE1 no hydrogen 3.207 N/A ALA 120.A N ASN 117.A OD1 no hydrogen 3.099 N/A GLN 121.A N ASN 117.A O no hydrogen 3.078 N/A HIS 122.A N GLU 118.A O no hydrogen 2.924 N/A LYS 123.A N GLU 119.A O no hydrogen 3.072 N/A ASP 124.A N ALA 120.A O no hydrogen 2.992 N/A PHE 125.A N GLN 121.A O no hydrogen 2.925 N/A ASP 126.A N HIS 122.A O no hydrogen 2.977 N/A ARG 127.A N LYS 123.A O no hydrogen 2.821 N/A LEU 128.A N ASP 124.A O no hydrogen 2.836 N/A ARG 129.A N PHE 125.A O no hydrogen 2.921 N/A ARG 129.A NE GLU 158.A OE2 no hydrogen 2.822 N/A ARG 129.A NH2 GLU 158.A OE2 no hydrogen 3.025 N/A ALA 130.A N ASP 126.A O no hydrogen 3.049 N/A LEU 131.A N ARG 127.A O no hydrogen 2.986 N/A ILE 132.A N LEU 128.A O no hydrogen 2.992 N/A LYS 133.A N ARG 129.A O no hydrogen 2.917 N/A GLU 134.A N ALA 130.A O no hydrogen 2.920 N/A HIS 135.A N LEU 131.A O no hydrogen 3.229 N/A HIS 135.A N ILE 132.A O no hydrogen 3.370 N/A HIS 135.A ND1 LEU 131.A O no hydrogen 2.832 N/A HIS 135.A NE2 THR 59.A OG1 no hydrogen 2.777 N/A ASP 136.A N LYS 33.A O no hydrogen 2.848 N/A ILE 137.A N LYS 33.A O no hydrogen 3.253 N/A ILE 138.A N THR 161.A O no hydrogen 3.005 N/A PHE 139.A N LEU 35.A O no hydrogen 2.894 N/A LEU 140.A N ILE 163.A O no hydrogen 2.845 N/A LEU 141.A N LEU 37.A O no hydrogen 2.808 N/A SER 144.A OG SER 147.A OG no hydrogen 3.088 N/A ARG 145.A NH2 VAL 196.A O no hydrogen 2.998 N/A GLU 146.A N GLU 146.A OE1 no hydrogen 2.849 N/A SER 147.A N SER 144.A OG no hydrogen 3.160 N/A SER 147.A OG SER 144.A OG no hydrogen 3.088 N/A ARG 148.A N ARG 145.A O no hydrogen 3.084 N/A ARG 148.A NE ASN 164.A OD1 no hydrogen 2.975 N/A ARG 148.A NH1 SER 144.A O no hydrogen 2.937 N/A ARG 148.A NH2 VAL 142.A O no hydrogen 2.933 N/A ARG 148.A NH2 ALA 165.A O no hydrogen 2.835 N/A TRP 149.A N GLU 146.A O no hydrogen 3.155 N/A TRP 149.A NE1 PRO 270.A O no hydrogen 2.981 N/A SER 152.A N ARG 148.A O no hydrogen 3.231 N/A SER 152.A OG ARG 148.A O no hydrogen 2.594 N/A LEU 153.A N TRP 149.A O no hydrogen 3.074 N/A LEU 154.A N LEU 150.A O no hydrogen 2.974 N/A SER 155.A N PRO 151.A O no hydrogen 3.026 N/A SER 155.A OG PRO 151.A O no hydrogen 2.933 N/A ASN 156.A N SER 152.A O no hydrogen 3.102 N/A ILE 157.A N LEU 153.A O no hydrogen 2.863 N/A GLU 158.A N LEU 154.A O no hydrogen 2.883 N/A ASN 159.A N ASN 156.A O no hydrogen 3.006 N/A LYS 160.A N SER 155.A O no hydrogen 2.882 N/A LYS 160.A NZ LYS 133.A O no hydrogen 3.294 N/A LYS 160.A NZ HIS 135.A O no hydrogen 3.024 N/A ILE 163.A N ILE 138.A O no hydrogen 2.882 N/A ASN 164.A ND2 HIS 176.A NE2 no hydrogen 3.014 N/A ALA 165.A N LEU 140.A O no hydrogen 3.180 N/A ALA 166.A N LEU 173.A O no hydrogen 2.921 N/A GLY 168.A N SER 171.A O no hydrogen 2.897 N/A TYR 172.A N GLY 251.A O no hydrogen 3.041 N/A LEU 173.A N ALA 166.A O no hydrogen 2.902 N/A VAL 174.A N ILE 249.A O no hydrogen 2.884 N/A ARG 175.A N HIS 247.A O no hydrogen 2.898 N/A ARG 175.A NE ILE 245.A O no hydrogen 3.321 N/A ARG 175.A NE PRO 246.A O no hydrogen 3.146 N/A ARG 175.A NH2 ILE 245.A O no hydrogen 2.816 N/A HIS 176.A N VAL 162.A O no hydrogen 3.121 N/A GLY 177.A N GLY 188.A O no hydrogen 3.220 N/A ASN 178.A ND2 LYS 160.A O no hydrogen 3.153 N/A ARG 179.A NE ASN 156.A OD1 no hydrogen 3.051 N/A ARG 179.A NH2 ASN 156.A O no hydrogen 3.147 N/A LYS 185.A N SER 183.A OG no hydrogen 3.185 N/A GLY 188.A N THR 263.A O no hydrogen 2.828 N/A TYR 190.A N HIS 176.A NE2 no hydrogen 3.206 N/A CYS 192.A N CYS 189.A O no hydrogen 3.055 N/A HIS 193.A NE2 THR 263.A OG1 no hydrogen 2.934 N/A VAL 195.A N ASP 194.A OD1 no hydrogen 2.477 N/A ALA 197.A N GLU 299.A OE2 no hydrogen 2.890 N/A ASP 200.A N THR 199.A OG1 no hydrogen 2.692 N/A SER 201.A N GLU 146.A OE2 no hydrogen 2.757 N/A SER 201.A OG GLU 146.A OE1 no hydrogen 2.575 N/A SER 201.A OG GLU 146.A OE2 no hydrogen 3.299 N/A LEU 202.A N ASP 200.A OD1 no hydrogen 2.839 N/A THR 203.A N ASP 200.A OD1 no hydrogen 2.907 N/A GLN 209.A NE2 THR 211.A OG1 no hydrogen 3.292 N/A SER 210.A OG ASP 208.A O no hydrogen 3.471 N/A THR 211.A N GLN 209.A O no hydrogen 2.987 N/A THR 211.A OG1 GLN 209.A O no hydrogen 3.316 N/A ARG 214.A N PHE 169.A O no hydrogen 2.928 N/A VAL 217.A N ARG 214.A O no hydrogen 3.022 N/A SER 220.A N ALA 218.A O no hydrogen 2.999 N/A SER 220.A OG LEU 42.A O no hydrogen 3.469 N/A SER 220.A OG ALA 218.A O no hydrogen 2.712 N/A ALA 223.A N ALA 219.A O no hydrogen 2.970 N/A VAL 224.A N SER 220.A O no hydrogen 3.210 N/A GLU 225.A N SER 221.A O no hydrogen 3.114 N/A LEU 226.A N LEU 222.A O no hydrogen 2.838 N/A THR 227.A OG1 VAL 224.A O no hydrogen 3.546 N/A THR 227.A OG1 GLU 225.A O no hydrogen 3.093 N/A THR 227.A OG1 GLU 225.A OE1 no hydrogen 3.488 N/A SER 228.A N GLU 225.A O no hydrogen 3.103 N/A SER 228.A OG THR 240.A OG1 no hydrogen 2.980 N/A SER 228.A OG ASP 244.A O no hydrogen 2.936 N/A LEU 229.A N LEU 226.A O no hydrogen 2.902 N/A GLN 231.A N SER 228.A O no hydrogen 2.853 N/A GLN 231.A NE2 ASN 25.A O no hydrogen 3.243 N/A GLN 231.A NE2 THR 227.A O no hydrogen 3.235 N/A LYS 233.A NZ SER 237.A O no hydrogen 3.035 N/A TYR 234.A N THR 239.A O no hydrogen 2.940 N/A SER 237.A N TYR 234.A O no hydrogen 3.420 N/A SER 237.A OG THR 239.A OG1 no hydrogen 2.893 N/A THR 239.A OG1 SER 237.A OG no hydrogen 2.893 N/A THR 240.A N GLY 243.A O no hydrogen 2.818 N/A THR 240.A OG1 SER 228.A OG no hydrogen 2.980 N/A THR 240.A OG1 GLY 243.A O no hydrogen 3.404 N/A LEU 242.A N THR 240.A OG1 no hydrogen 2.940 N/A GLY 243.A N THR 240.A O no hydrogen 2.922 N/A HIS 247.A NE2 GLY 188.A O no hydrogen 2.857 N/A GLN 248.A N LEU 261.A O no hydrogen 3.172 N/A GLN 248.A NE2 HIS 193.A NE2 no hydrogen 3.394 N/A ILE 249.A N VAL 174.A O no hydrogen 2.701 N/A ARG 250.A N LEU 259.A O no hydrogen 2.997 N/A ARG 250.A NE GLN 248.A OE1 no hydrogen 2.976 N/A ARG 250.A NH2 GLN 248.A OE1 no hydrogen 3.283 N/A GLY 251.A N TYR 172.A O no hydrogen 3.100 N/A PHE 252.A N SER 257.A O no hydrogen 2.952 N/A LEU 253.A N ASP 170.A O no hydrogen 2.845 N/A PHE 256.A N LEU 253.A O no hydrogen 3.230 N/A SER 257.A N PHE 252.A O no hydrogen 3.045 N/A SER 257.A OG ASN 255.A OD1 no hydrogen 2.760 N/A LEU 259.A N ARG 250.A O no hydrogen 2.790 N/A LYS 260.A NZ ASP 244.A OD2 no hydrogen 2.412 N/A LEU 261.A N GLN 248.A O no hydrogen 2.751 N/A THR 263.A N HIS 247.A ND1 no hydrogen 3.182 N/A THR 263.A OG1 HIS 193.A NE2 no hydrogen 2.934 N/A ALA 265.A N GLN 186.A O no hydrogen 2.881 N/A HIS 268.A ND1 SER 302.A O no hydrogen 2.886 N/A CYS 269.A N TYR 266.A O no hydrogen 2.989 N/A SER 273.A N CYS 269.A O no hydrogen 3.117 N/A SER 273.A OG GLU 267.A O no hydrogen 2.841 N/A LYS 275.A N SER 273.A OG no hydrogen 3.240 N/A ILE 277.A N SER 273.A O no hydrogen 3.017 N/A GLU 278.A N PRO 274.A O no hydrogen 2.801 N/A ALA 279.A N LYS 275.A O no hydrogen 2.948 N/A PHE 280.A N VAL 276.A O no hydrogen 3.010 N/A THR 281.A N ILE 277.A O no hydrogen 2.916 N/A THR 281.A OG1 ILE 277.A O no hydrogen 2.973 N/A ASP 282.A N GLU 278.A O no hydrogen 3.040 N/A LEU 283.A N ALA 279.A O no hydrogen 3.198 N/A GLY 284.A N PHE 280.A O no hydrogen 2.714 N/A TRP 285.A NE1 GLU 118.A OE2 no hydrogen 2.935 N/A GLU 286.A N LEU 283.A O no hydrogen 2.984 N/A PHE 287.A N GLY 284.A O no hydrogen 2.884 N/A VAL 288.A N GLY 284.A O no hydrogen 3.025 N/A LYS 289.A N TRP 285.A O no hydrogen 2.889 N/A LYS 289.A NZ GLU 118.A OE2 no hydrogen 2.871 N/A LYS 289.A NZ GLU 286.A OE2 no hydrogen 3.485 N/A LYS 290.A NZ GLU 286.A O no hydrogen 3.117 N/A ALA 291.A N PHE 287.A O no hydrogen 3.116 N/A LEU 292.A N VAL 288.A O no hydrogen 2.823 N/A GLU 293.A N LYS 289.A O no hydrogen 3.366 N/A HIS 294.A N LYS 290.A O no hydrogen 2.858 N/A HIS 294.A N ALA 291.A O no hydrogen 3.216 N/A TYR 297.A N HIS 294.A O no hydrogen 2.793 N/A LEU 298.A N PRO 295.A O no hydrogen 2.910 N/A GLU 300.A N LEU 296.A O no hydrogen 3.074 N/A ILE 301.A N TYR 297.A O no hydrogen 2.956 N/A SER 302.A N LEU 298.A O no hydrogen 2.853 N/A SER 302.A OG HIS 268.A O no hydrogen 2.711 N/A SER 302.A OG LEU 298.A O no hydrogen 3.352 N/A GLY 303.A N GLU 299.A O no hydrogen 3.200 N/A GLY 303.A N GLU 300.A O no hydrogen 3.358 N/A SER 305.A N GLU 299.A O no hydrogen 3.210 N/A SER 305.A OG GLU 300.A OE2 no hydrogen 2.696 N/A VAL 306.A N GLY 303.A O no hydrogen 3.093 N/A ILE 307.A N GLY 303.A O no hydrogen 3.459 N/A LYS 308.A N LEU 304.A O no hydrogen 3.206 N/A LYS 308.A NZ VAL 195.A O no hydrogen 2.906 N/A LYS 308.A NZ GLU 299.A OE1 no hydrogen 2.691 N/A GLN 309.A N SER 305.A O no hydrogen 3.028 N/A GLU 310.A N VAL 306.A O no hydrogen 3.133 N/A GLU 312.A N LYS 308.A O no hydrogen 3.088 N/A ARG 313.A N GLN 309.A O no hydrogen 3.055 N/A LEU 314.A N VAL 311.A O no hydrogen 3.230 N/A ASP 317.A N GLY 315.A O no hydrogen 2.558 N/A