Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2xfw_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 1.A NE2 VAL 158.A O no hydrogen 2.804 N/A ALA 4.A N HIS 1.A O no hydrogen 3.087 N/A THR 5.A N HIS 2.A O no hydrogen 3.382 N/A THR 5.A OG1 HIS 2.A O no hydrogen 2.267 N/A LEU 7.A N ALA 4.A O no hydrogen 2.810 N/A ARG 8.A N THR 5.A O no hydrogen 3.101 N/A VAL 10.A N ASP 42.A OD2 no hydrogen 2.819 N/A MET 11.A N GLY 206.A O no hydrogen 2.878 N/A ALA 12.A N GLY 43.A O no hydrogen 3.123 N/A ALA 13.A N GLY 208.A O no hydrogen 2.927 N/A LEU 14.A N TYR 45.A O no hydrogen 2.879 N/A THR 16.A OG1 GLY 51.A O no hydrogen 2.664 N/A ASP 19.A N ALA 23.A O no hydrogen 2.860 N/A GLN 20.A N GLN 20.A OE1 no hydrogen 2.811 N/A GLN 21.A N ASP 19.A OD1 no hydrogen 2.906 N/A GLN 22.A N ASP 19.A O no hydrogen 2.828 N/A ALA 23.A N ASP 19.A OD1 no hydrogen 2.891 N/A ASP 25.A N PRO 17.A O no hydrogen 2.973 N/A LYS 26.A NZ GLN 63.A OE1 no hydrogen 2.811 N/A SER 28.A N ASP 25.A OD1 no hydrogen 2.920 N/A SER 28.A OG ASP 25.A OD2 no hydrogen 2.635 N/A LEU 29.A N ASP 25.A O no hydrogen 3.018 N/A ARG 30.A N LYS 26.A O no hydrogen 3.027 N/A ARG 30.A NH1.A GLU 70.A OE2 no hydrogen 2.900 N/A ARG 30.A NH1.A GLU 71.A OE2 no hydrogen 2.785 N/A ARG 30.A NH2.A GLU 70.A OE2 no hydrogen 3.096 N/A ARG 31.A N ALA 27.A O no hydrogen 3.075 N/A ARG 31.A NE VAL 265.A O no hydrogen 2.977 N/A ARG 31.A NH1 SER 28.A OG no hydrogen 2.931 N/A LEU 32.A N SER 28.A O no hydrogen 2.845 N/A VAL 33.A N LEU 29.A O no hydrogen 2.948 N/A GLN 34.A N ARG 30.A O no hydrogen 3.026 N/A GLN 34.A NE2 GLU 71.A O no hydrogen 3.217 N/A GLN 34.A NE2 GLU 71.A OE1 no hydrogen 2.853 N/A PHE 35.A N ARG 31.A O no hydrogen 2.845 N/A ASN 36.A N LEU 32.A O no hydrogen 2.949 N/A ASN 36.A ND2 LEU 32.A O no hydrogen 3.021 N/A ASN 36.A ND2 ASN 212.A OD1 no hydrogen 3.043 N/A ILE 37.A N VAL 33.A O no hydrogen 3.031 N/A GLN 38.A N GLN 34.A O no hydrogen 2.960 N/A GLN 39.A N PHE 35.A O no hydrogen 3.163 N/A GLN 39.A N ASN 36.A O no hydrogen 3.148 N/A GLN 39.A NE2 ASN 212.A O no hydrogen 2.811 N/A GLY 40.A N ILE 37.A O no hydrogen 3.019 N/A ILE 41.A N ASN 36.A O no hydrogen 3.484 N/A ASP 42.A N VAL 10.A O no hydrogen 3.062 N/A LEU 44.A N LYS 77.A O no hydrogen 2.904 N/A TYR 45.A N ALA 12.A O no hydrogen 2.838 N/A TYR 45.A OH HIS 81.A ND1 no hydrogen 3.389 N/A TYR 45.A OH SER 106.A OG no hydrogen 2.692 N/A VAL 46.A N ILE 79.A O no hydrogen 2.860 N/A SER 49.A OG TYR 139.A OH no hydrogen 2.749 N/A GLU 52.A N SER 49.A O no hydrogen 2.985 N/A ALA 53.A N GLY 48.A O no hydrogen 3.245 N/A VAL 55.A N GLU 52.A O no hydrogen 3.259 N/A GLN 56.A N ALA 53.A O no hydrogen 3.130 N/A GLN 56.A NE2 GLY 51.A O no hydrogen 2.825 N/A GLN 56.A NE2 GLU 52.A O no hydrogen 3.000 N/A SER 57.A N GLU 60.A OE1 no hydrogen 2.947 N/A GLU 60.A N SER 57.A OG no hydrogen 3.123 N/A ARG 61.A N SER 57.A O no hydrogen 2.989 N/A ARG 61.A NH1 GLY 83.A O no hydrogen 3.037 N/A ARG 61.A NH2 HIS 81.A O no hydrogen 2.973 N/A ARG 61.A NH2 GLY 83.A O no hydrogen 2.945 N/A GLU 62.A N LEU 58.A O no hydrogen 2.809 N/A GLN 63.A N SER 59.A O no hydrogen 2.909 N/A GLN 63.A NE2 SER 59.A O no hydrogen 3.249 N/A GLN 63.A NE2 SER 59.A OG no hydrogen 3.116 N/A VAL 64.A N GLU 60.A O no hydrogen 3.035 N/A LEU 65.A N ARG 61.A O no hydrogen 2.928 N/A GLU 66.A N GLU 62.A O no hydrogen 2.890 N/A ILE 67.A N GLN 63.A O no hydrogen 3.064 N/A VAL 68.A N VAL 64.A O no hydrogen 2.927 N/A ALA 69.A N LEU 65.A O no hydrogen 3.053 N/A GLU 70.A N GLU 66.A O no hydrogen 2.998 N/A GLU 71.A N ILE 67.A O no hydrogen 3.019 N/A ALA 72.A N VAL 68.A O no hydrogen 2.868 N/A LYS 73.A N ALA 69.A O no hydrogen 2.878 N/A LYS 75.A N ALA 72.A O no hydrogen 2.972 N/A LYS 75.A NZ GLU 71.A O no hydrogen 2.974 N/A ILE 76.A N ALA 72.A O no hydrogen 3.483 N/A LYS 77.A N ASP 42.A O no hydrogen 3.099 N/A LEU 78.A N ASP 103.A OD2 no hydrogen 2.862 N/A ILE 79.A N LEU 44.A O no hydrogen 2.952 N/A ALA 80.A N ALA 104.A O no hydrogen 2.969 N/A HIS 81.A N VAL 46.A O no hydrogen 2.811 N/A VAL 82.A N SER 106.A O no hydrogen 2.728 N/A CYS 84.A N SER 90.A OG no hydrogen 2.897 N/A CYS 84.A SG VAL 82.A O no hydrogen 3.800 N/A THR 87.A OG1 HIS 123.A ND1 no hydrogen 2.799 N/A GLU 89.A N SER 86.A OG no hydrogen 3.049 N/A SER 90.A N SER 86.A O no hydrogen 3.183 N/A SER 90.A OG SER 86.A O no hydrogen 2.814 N/A GLN 91.A N THR 87.A O no hydrogen 2.836 N/A GLN 91.A NE2 ALA 126.A O no hydrogen 3.190 N/A GLN 92.A N ALA 88.A O no hydrogen 3.100 N/A GLN 92.A NE2 GLU 62.A OE2 no hydrogen 3.028 N/A LEU 93.A N GLU 89.A O no hydrogen 3.147 N/A ALA 94.A N SER 90.A O no hydrogen 2.886 N/A ALA 95.A N GLN 91.A O no hydrogen 2.916 N/A SER 96.A N GLN 92.A O no hydrogen 3.036 N/A SER 96.A OG GLU 62.A OE2 no hydrogen 2.708 N/A SER 96.A OG GLN 92.A O no hydrogen 3.233 N/A ALA 97.A N LEU 93.A O no hydrogen 2.887 N/A LYS 98.A N ALA 94.A O no hydrogen 3.068 N/A LYS 98.A NZ ASP 132.A O no hydrogen 2.903 N/A ARG 99.A N ALA 95.A O no hydrogen 3.031 N/A ARG 99.A NH2 SER 96.A OG no hydrogen 2.907 N/A TYR 100.A N SER 96.A O no hydrogen 2.946 N/A GLY 101.A N LYS 98.A O no hydrogen 3.141 N/A PHE 102.A N ALA 97.A O no hydrogen 3.001 N/A ASP 103.A N LEU 78.A O no hydrogen 2.901 N/A ALA 104.A N LEU 78.A O no hydrogen 3.258 N/A VAL 105.A N PRO 135.A O no hydrogen 2.872 N/A SER 106.A N ALA 80.A O no hydrogen 2.821 N/A SER 106.A OG TYR 45.A OH no hydrogen 2.692 N/A SER 106.A OG VAL 137.A O no hydrogen 2.633 N/A ALA 107.A N VAL 137.A O no hydrogen 3.432 N/A THR 109.A N TYR 139.A O no hydrogen 3.261 N/A TYR 113.A N PHE 111.A O no hydrogen 2.956 N/A SER 116.A N GLU 119.A OE1 no hydrogen 2.913 N/A GLU 119.A N SER 116.A OG no hydrogen 3.015 N/A HIS 120.A N SER 116.A O no hydrogen 2.997 N/A CYS 121.A N PHE 117.A O no hydrogen 2.911 N/A CYS 121.A SG PHE 117.A O no hydrogen 3.501 N/A ASP 122.A N GLU 118.A O no hydrogen 2.943 N/A HIS 123.A N GLU 119.A O no hydrogen 2.984 N/A HIS 123.A ND1 THR 87.A OG1 no hydrogen 2.799 N/A TYR 124.A N HIS 120.A O no hydrogen 3.073 N/A TYR 124.A OH ALA 107.A O no hydrogen 2.768 N/A ARG 125.A N CYS 121.A O no hydrogen 2.928 N/A ARG 125.A NH1 ASP 122.A OD1 no hydrogen 2.712 N/A ALA 126.A N ASP 122.A O no hydrogen 2.927 N/A ILE 127.A N HIS 123.A O no hydrogen 3.095 N/A ILE 128.A N TYR 124.A O no hydrogen 2.914 N/A ASP 129.A N ARG 125.A O no hydrogen 3.008 N/A SER 130.A N ALA 126.A O no hydrogen 3.171 N/A SER 130.A OG ALA 126.A O no hydrogen 3.449 N/A ALA 131.A N ILE 127.A O no hydrogen 2.817 N/A ASP 132.A N ASP 129.A O no hydrogen 3.035 N/A LEU 134.A N ALA 131.A O no hydrogen 3.130 N/A MET 136.A N GLY 162.A O no hydrogen 2.841 N/A VAL 137.A N VAL 105.A O no hydrogen 2.712 N/A VAL 138.A N ALA 165.A O no hydrogen 2.961 N/A TYR 139.A N ALA 107.A O no hydrogen 3.246 N/A TYR 139.A OH SER 49.A OG no hydrogen 2.749 N/A LEU 144.A N ILE 141.A O no hydrogen 3.119 N/A SER 145.A N ILE 141.A O no hydrogen 2.958 N/A SER 145.A OG ILE 141.A O no hydrogen 3.131 N/A GLY 146.A N PRO 142.A O no hydrogen 2.999 N/A VAL 147.A N SER 145.A OG no hydrogen 2.944 N/A THR 150.A N GLN 153.A OE1 no hydrogen 3.070 N/A GLN 153.A N THR 150.A OG1 no hydrogen 3.077 N/A ILE 154.A N THR 150.A O no hydrogen 2.929 N/A ASN 155.A N LEU 151.A O no hydrogen 2.908 N/A THR 156.A N ASP 152.A O no hydrogen 3.077 N/A THR 156.A OG1 ASP 152.A O no hydrogen 3.334 N/A LEU 157.A N GLN 153.A O no hydrogen 2.918 N/A VAL 158.A N ILE 154.A O no hydrogen 2.859 N/A THR 159.A N THR 156.A O no hydrogen 3.273 N/A THR 159.A OG1 ASN 155.A O no hydrogen 2.757 N/A THR 159.A OG1 THR 156.A O no hydrogen 3.250 N/A LEU 160.A N LEU 157.A O no hydrogen 3.290 N/A VAL 163.A N LEU 160.A O no hydrogen 3.078 N/A GLY 164.A N MET 136.A O no hydrogen 2.798 N/A LEU 166.A N VAL 186.A O no hydrogen 2.941 N/A GLN 167.A NE2 ASN 140.A OD1 no hydrogen 2.914 N/A THR 168.A N ASN 140.A O no hydrogen 2.849 N/A ASP 171.A N SER 169.A OG no hydrogen 3.146 N/A TYR 173.A N ASP 171.A OD1 no hydrogen 3.106 N/A GLN 174.A N ASP 171.A OD1 no hydrogen 3.094 N/A MET 175.A N ASP 171.A O no hydrogen 3.114 N/A GLU 176.A N LEU 172.A O no hydrogen 3.276 N/A GLN 177.A N TYR 173.A O no hydrogen 2.885 N/A GLN 177.A NE2 TYR 173.A O no hydrogen 3.649 N/A ILE 178.A N GLN 174.A O no hydrogen 2.840 N/A ARG 179.A N MET 175.A O no hydrogen 3.073 N/A ARG 179.A NE GLY 202.A O no hydrogen 2.815 N/A ARG 179.A NH1 HIS 182.A O no hydrogen 2.968 N/A ARG 179.A NH1 LEU 185.A O no hydrogen 2.759 N/A ARG 179.A NH2 LEU 185.A O no hydrogen 3.026 N/A ARG 179.A NH2 GLY 202.A O no hydrogen 2.983 N/A ARG 180.A N GLU 176.A O no hydrogen 2.893 N/A ARG 180.A NE GLU 176.A OE2 no hydrogen 2.856 N/A ARG 180.A NH2 GLU 176.A OE1 no hydrogen 2.931 N/A GLU 181.A N GLN 177.A O no hydrogen 2.977 N/A HIS 182.A N ILE 178.A O no hydrogen 2.925 N/A LEU 185.A N HIS 182.A O no hydrogen 3.157 N/A LEU 187.A N ASP 204.A OD1 no hydrogen 2.964 N/A TYR 188.A N LEU 166.A O no hydrogen 2.893 N/A TYR 188.A OH LEU 7.A O no hydrogen 2.592 N/A ASN 189.A N GLY 205.A O no hydrogen 2.843 N/A ASN 189.A ND2 TYR 191.A O no hydrogen 2.815 N/A GLY 190.A N GLN 167.A O no hydrogen 3.001 N/A ILE 194.A N TYR 191.A O no hydrogen 3.120 N/A PHE 195.A N ASP 192.A O no hydrogen 3.248 N/A ALA 196.A N GLN 237.A OE1 no hydrogen 2.823 N/A GLY 198.A N ILE 194.A O no hydrogen 2.795 N/A LEU 199.A N PHE 195.A O no hydrogen 2.930 N/A LEU 200.A N ALA 196.A O no hydrogen 3.076 N/A ALA 201.A N SER 197.A O no hydrogen 2.910 N/A GLY 202.A N GLY 198.A O no hydrogen 3.096 N/A GLY 202.A N LEU 199.A O no hydrogen 3.033 N/A ALA 203.A N GLY 198.A O no hydrogen 2.997 N/A ASP 204.A N LEU 187.A O no hydrogen 2.967 N/A GLY 206.A N GLY 9.A O no hydrogen 3.011 N/A ILE 207.A N ASN 189.A O no hydrogen 3.075 N/A GLY 208.A N MET 11.A O no hydrogen 3.313 N/A THR 210.A N ASP 192.A OD2 no hydrogen 2.895 N/A THR 210.A OG1 ASP 192.A OD2 no hydrogen 2.610 N/A THR 210.A OG1 TYR 218.A OH no hydrogen 2.601 N/A ASN 212.A N SER 209.A O no hydrogen 3.306 N/A ASN 212.A ND2 ALA 13.A O no hydrogen 2.819 N/A ASN 212.A ND2 SER 209.A O no hydrogen 2.850 N/A ILE 213.A N THR 210.A O no hydrogen 3.109 N/A MET 214.A N THR 210.A O no hydrogen 3.231 N/A GLY 215.A N GLN 39.A OE1 no hydrogen 3.071 N/A TRP 216.A NE1 GLU 296.A OE2 no hydrogen 2.825 N/A ARG 217.A N MET 214.A O no hydrogen 2.899 N/A ARG 217.A NE GLU 296.A OE2 no hydrogen 2.930 N/A ARG 217.A NH2 GLU 296.A OE1 no hydrogen 2.704 N/A TYR 218.A OH THR 210.A OG1 no hydrogen 2.601 N/A GLN 219.A N GLY 215.A O no hydrogen 3.096 N/A GLN 219.A NE2 GLY 40.A O no hydrogen 2.980 N/A GLY 220.A N TRP 216.A O no hydrogen 2.868 N/A ILE 221.A N ARG 217.A O no hydrogen 3.012 N/A VAL 222.A N TYR 218.A O no hydrogen 3.176 N/A LYS 223.A N GLN 219.A O no hydrogen 3.093 N/A LYS 223.A NZ GLU 227.A OE2 no hydrogen 2.788 N/A ALA 224.A N GLY 220.A O no hydrogen 2.917 N/A LEU 225.A N ILE 221.A O no hydrogen 2.967 N/A LYS 226.A N VAL 222.A O no hydrogen 3.054 N/A GLU 227.A N LYS 223.A O no hydrogen 2.963 N/A GLY 228.A N LEU 225.A O no hydrogen 3.122 N/A ASP 229.A N ALA 224.A O no hydrogen 2.784 N/A ILE 230.A N GLY 228.A O no hydrogen 3.131 N/A GLN 231.A N GLN 231.A OE1 no hydrogen 2.873 N/A THR 232.A N ASP 229.A OD1 no hydrogen 3.372 N/A THR 232.A OG1.B ASP 229.A O no hydrogen 2.726 N/A ALA 233.A N ASP 229.A O no hydrogen 3.250 N/A GLN 234.A N ILE 230.A O no hydrogen 2.943 N/A LYS 235.A N GLN 231.A O no hydrogen 2.934 N/A LYS 235.A NZ GLU 239.A OE2 no hydrogen 3.389 N/A LEU 236.A N THR 232.A O no hydrogen 2.933 N/A GLN 237.A N ALA 233.A O no hydrogen 2.939 N/A GLN 237.A NE2 ASP 192.A O no hydrogen 3.011 N/A GLN 237.A NE2 GLN 237.A O no hydrogen 3.521 N/A THR 238.A N GLN 234.A O no hydrogen 2.828 N/A THR 238.A OG1 GLN 234.A O no hydrogen 2.886 N/A GLU 239.A N LYS 235.A O no hydrogen 3.012 N/A CYS 240.A N LEU 236.A O no hydrogen 2.884 N/A CYS 240.A SG LEU 236.A O no hydrogen 3.371 N/A ASN 241.A N GLN 237.A O no hydrogen 2.864 N/A ASN 241.A ND2 ASN 193.A O no hydrogen 3.421 N/A LYS 242.A N THR 238.A O no hydrogen 2.903 N/A LYS 242.A NZ GLU 239.A OE2 no hydrogen 2.749 N/A VAL 243.A N GLU 239.A O no hydrogen 3.240 N/A ILE 244.A N CYS 240.A O no hydrogen 2.850 N/A ASP 245.A N ASN 241.A O no hydrogen 2.903 N/A LEU 247.A N VAL 243.A O no hydrogen 2.979 N/A ILE 248.A N ILE 244.A O no hydrogen 2.832 N/A LYS 249.A N ASP 245.A O no hydrogen 3.217 N/A LYS 249.A NZ GLU 285.A OE2 no hydrogen 3.146 N/A THR 250.A N LEU 246.A O no hydrogen 2.993 N/A THR 250.A OG1 LEU 246.A O no hydrogen 3.538 N/A THR 250.A OG1 LEU 247.A O no hydrogen 3.209 N/A THR 250.A OG1 GLY 251.A O no hydrogen 3.030 N/A ARG 254.A NE THR 250.A O no hydrogen 2.779 N/A ARG 254.A NH1 THR 250.A O no hydrogen 3.328 N/A ARG 254.A NH2 GLY 276.A O no hydrogen 2.878 N/A GLY 255.A N GLY 251.A O no hydrogen 2.847 N/A LEU 256.A N VAL 252.A O no hydrogen 2.893 N/A LYS 257.A N PHE 253.A O no hydrogen 2.933 N/A LYS 257.A NZ THR 16.A O no hydrogen 2.747 N/A LYS 257.A NZ GLU 52.A OE1 no hydrogen 2.711 N/A LYS 257.A NZ LEU 270.A O no hydrogen 2.925 N/A THR 258.A N ARG 254.A O no hydrogen 2.851 N/A THR 258.A OG1 ARG 254.A O no hydrogen 2.775 N/A VAL 259.A N GLY 255.A O no hydrogen 2.906 N/A LEU 260.A N LEU 256.A O no hydrogen 2.972 N/A HIS 261.A N LYS 257.A O no hydrogen 2.881 N/A TYR 262.A N THR 258.A O no hydrogen 2.994 N/A MET 263.A N VAL 259.A O no hydrogen 2.929 N/A ASP 264.A N HIS 261.A O no hydrogen 2.981 N/A VAL 265.A N LEU 260.A O no hydrogen 2.853 N/A VAL 266.A N LEU 260.A O no hydrogen 3.262 N/A SER 267.A N SER 28.A OG no hydrogen 3.018 N/A SER 267.A OG SER 28.A OG no hydrogen 3.221 N/A CYS 271.A SG GLU 52.A OE1 no hydrogen 3.400 N/A ARG 272.A N GLU 52.A OE2 no hydrogen 2.805 N/A ARG 272.A NE GLN 22.A O no hydrogen 2.860 N/A ARG 272.A NH1 VAL 55.A O no hydrogen 2.958 N/A ARG 272.A NH1 GLU 60.A OE1 no hydrogen 2.751 N/A ARG 272.A NH1 GLU 60.A OE2 no hydrogen 3.494 N/A ARG 272.A NH2 GLN 22.A O no hydrogen 2.853 N/A ARG 272.A NH2 GLU 60.A OE2 no hydrogen 2.855 N/A LYS 273.A N GLN 22.A OE1.A no hydrogen 2.807 N/A PHE 275.A N ARG 272.A O no hydrogen 2.950 N/A LYS 281.A N ASP 279.A OD1 no hydrogen 3.035 N/A TYR 282.A N ASP 279.A O no hydrogen 2.951 N/A LEU 283.A N GLU 280.A O no hydrogen 3.129 N/A LEU 286.A N TYR 282.A O no hydrogen 3.083 N/A LYS 287.A N LEU 283.A O no hydrogen 2.884 N/A ALA 288.A N PRO 284.A O no hydrogen 3.007 N/A LEU 289.A N GLU 285.A O no hydrogen 2.892 N/A ALA 290.A N LEU 286.A O no hydrogen 2.903 N/A GLN 291.A N LYS 287.A O no hydrogen 2.910 N/A GLN 292.A N ALA 288.A O no hydrogen 2.824 N/A LEU 293.A N LEU 289.A O no hydrogen 2.934 N/A MET 294.A N ALA 290.A O no hydrogen 2.895 N/A GLN 295.A N GLN 291.A O no hydrogen 2.926 N/A GLU 296.A N GLN 292.A O no hydrogen 2.926 N/A ARG 297.A N LEU 293.A O no hydrogen 2.940 N/A GLY 298.A N MET 294.A O no hydrogen 3.101 N/A