Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4wa8_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N GLU 5.A OE2 no hydrogen 3.469 N/A GLY 2.A N GLU 5.A OE2 no hydrogen 3.370 N/A GLU 5.A N GLY 2.A O no hydrogen 2.815 N/A LEU 6.A N LEU 3.A O no hydrogen 2.822 N/A ARG 7.A N ALA 4.A O no hydrogen 3.309 N/A ARG 7.A NH1 TYR 135.A OH no hydrogen 3.217 N/A ARG 7.A NH1 GLU 169.A OE1 no hydrogen 3.358 N/A ARG 7.A NH1 GLU 169.A OE2 no hydrogen 2.738 N/A ARG 7.A NH2 GLU 169.A OE1 no hydrogen 2.893 N/A LEU 9.A N LEU 6.A O no hydrogen 2.918 N/A ILE 10.A N LEU 6.A O no hydrogen 2.922 N/A GLU 11.A N ARG 7.A O no hydrogen 2.920 N/A GLU 13.A N ILE 170.A O no hydrogen 2.836 N/A THR 15.A N PRO 168.A O no hydrogen 2.946 N/A THR 15.A OG1 ASP 16.A O no hydrogen 3.196 N/A ALA 19.A N ASP 16.A O no hydrogen 3.165 N/A ALA 19.A N ASP 16.A OD1 no hydrogen 3.220 N/A LEU 20.A N LEU 17.A O no hydrogen 2.890 N/A ALA 21.A N ARG 18.A O no hydrogen 3.080 N/A GLY 22.A N GLY 72.A O no hydrogen 2.685 N/A ARG 23.A N LEU 20.A O no hydrogen 2.992 N/A GLU 24.A N GLU 24.A OE1 no hydrogen 3.136 N/A ILE 25.A N LYS 74.A O no hydrogen 2.975 N/A ALA 26.A N ALA 129.A O no hydrogen 2.830 N/A ILE 27.A N VAL 76.A O no hydrogen 2.742 N/A ASP 28.A N GLY 131.A O no hydrogen 3.101 N/A ALA 29.A N VAL 78.A O no hydrogen 2.794 N/A ASN 31.A N ASP 28.A OD2 no hydrogen 2.766 N/A ALA 32.A N ASP 28.A O no hydrogen 3.019 N/A LEU 33.A N ALA 29.A O no hydrogen 2.827 N/A TYR 34.A N PHE 30.A O no hydrogen 3.026 N/A GLN 35.A N ASN 31.A O no hydrogen 3.093 N/A GLN 35.A NE2 ASN 31.A O no hydrogen 3.505 N/A GLN 35.A NE2 ASN 31.A OD1 no hydrogen 3.376 N/A PHE 36.A N ALA 32.A O no hydrogen 2.983 N/A LEU 37.A N LEU 33.A O no hydrogen 2.734 N/A THR 38.A N TYR 34.A O no hydrogen 2.979 N/A THR 38.A OG1 TYR 34.A O no hydrogen 2.772 N/A THR 38.A OG1 GLN 35.A O no hydrogen 3.454 N/A THR 39.A N GLN 35.A O no hydrogen 2.910 N/A THR 39.A OG1 GLN 35.A O no hydrogen 2.454 N/A ILE 40.A N PHE 36.A O no hydrogen 3.135 N/A LYS 42.A N ARG 45.A O no hydrogen 2.787 N/A ARG 45.A N LYS 42.A O no hydrogen 3.108 N/A LEU 47.A N SER 56.A OG no hydrogen 2.781 N/A ASP 49.A N ARG 53.A O no hydrogen 2.950 N/A SER 50.A N ASP 279.A OD2 no hydrogen 2.665 N/A SER 50.A OG ASP 279.A OD2 no hydrogen 2.500 N/A ARG 51.A N ASP 49.A OD1 no hydrogen 2.847 N/A GLY 52.A N ASP 49.A O no hydrogen 2.902 N/A ARG 53.A N ASP 49.A OD1 no hydrogen 3.047 N/A ARG 53.A NE ASP 49.A OD2 no hydrogen 2.735 N/A ARG 53.A NH2 ASP 49.A OD2 no hydrogen 3.046 N/A THR 55.A N LEU 47.A O no hydrogen 2.745 N/A SER 56.A OG ILE 40.A O no hydrogen 2.620 N/A HIS 57.A NE2 ASP 95.A OD2 no hydrogen 3.091 N/A ASN 59.A N THR 55.A O no hydrogen 2.852 N/A GLY 60.A N SER 56.A O no hydrogen 2.955 N/A LEU 61.A N HIS 57.A O no hydrogen 2.981 N/A LEU 62.A N LEU 58.A O no hydrogen 2.906 N/A TYR 63.A N ASN 59.A O no hydrogen 2.918 N/A ARG 64.A N GLY 60.A O no hydrogen 2.910 N/A ARG 64.A NH1 THR 150.A O no hydrogen 2.882 N/A THR 65.A OG1 LEU 61.A O no hydrogen 2.531 N/A THR 65.A OG1 TYR 77.A OH no hydrogen 2.630 N/A VAL 66.A N LEU 62.A O no hydrogen 3.081 N/A ASN 67.A N TYR 63.A O no hydrogen 3.081 N/A LEU 68.A N ARG 64.A O no hydrogen 2.985 N/A VAL 69.A N THR 65.A O no hydrogen 3.026 N/A GLU 70.A N VAL 66.A O no hydrogen 2.906 N/A GLU 71.A N ASN 67.A O no hydrogen 3.135 N/A GLY 72.A N VAL 69.A O no hydrogen 2.881 N/A ILE 73.A N LEU 68.A O no hydrogen 2.974 N/A LYS 74.A N ARG 23.A O no hydrogen 2.955 N/A LYS 74.A NZ GLU 24.A OE2 no hydrogen 3.097 N/A VAL 76.A N ILE 25.A O no hydrogen 2.825 N/A TYR 77.A N PRO 106.A O no hydrogen 3.183 N/A TYR 77.A OH THR 65.A OG1 no hydrogen 2.630 N/A VAL 78.A N ILE 27.A O no hydrogen 2.906 N/A PHE 79.A N VAL 108.A O no hydrogen 2.910 N/A GLY 81.A N SER 112.A O no hydrogen 2.769 N/A LYS 87.A N PRO 84.A O no hydrogen 3.029 N/A LYS 87.A NZ GLU 113.A OE1 no hydrogen 3.160 N/A LYS 87.A NZ GLU 113.A OE2 no hydrogen 3.439 N/A LYS 87.A NZ ASP 198.A OD2 no hydrogen 3.173 N/A SER 91.A OG ASP 89.A OD2 no hydrogen 2.877 N/A LEU 92.A N ASP 89.A O no hydrogen 3.001 N/A VAL 93.A N ASP 89.A O no hydrogen 3.438 N/A GLU 94.A N GLU 90.A O no hydrogen 2.925 N/A ASP 95.A N SER 91.A O no hydrogen 2.913 N/A ALA 96.A N LEU 92.A O no hydrogen 2.995 N/A LYS 97.A N VAL 93.A O no hydrogen 3.036 N/A LYS 97.A NZ GLN 109.A OE1 no hydrogen 2.881 N/A ARG 98.A N GLU 94.A O no hydrogen 2.959 N/A ARG 98.A NH1 GLU 277.A OE1 no hydrogen 2.931 N/A ARG 98.A NH2 GLU 277.A OE2 no hydrogen 3.088 N/A LEU 99.A N ASP 95.A O no hydrogen 2.878 N/A LEU 100.A N ALA 96.A O no hydrogen 2.939 N/A ASP 101.A N LYS 97.A O no hydrogen 3.039 N/A LEU 102.A N ARG 98.A O no hydrogen 3.065 N/A MET 103.A N LEU 99.A O no hydrogen 2.874 N/A GLY 104.A N ASP 101.A O no hydrogen 3.202 N/A ILE 105.A N LEU 100.A O no hydrogen 2.931 N/A TRP 107.A NE1 ASP 101.A OD1 no hydrogen 2.849 N/A VAL 108.A N TYR 77.A O no hydrogen 2.959 N/A GLN 109.A NE2 ASP 80.A O no hydrogen 3.026 N/A GLN 109.A NE2 ALA 110.A O no hydrogen 2.738 N/A ALA 110.A N PHE 79.A O no hydrogen 2.910 N/A SER 112.A OG GLU 82.A O no hydrogen 2.684 N/A GLY 114.A N ASP 80.A OD1 no hydrogen 2.788 N/A ALA 116.A N GLU 113.A O no hydrogen 3.227 N/A GLN 117.A N GLU 113.A O no hydrogen 3.150 N/A GLN 117.A NE2 THR 255.A O no hydrogen 3.065 N/A CYS 118.A N GLY 114.A O no hydrogen 2.855 N/A CYS 118.A SG ALA 26.A O no hydrogen 3.665 N/A CYS 118.A SG GLY 114.A O no hydrogen 3.250 N/A ALA 119.A N GLU 115.A O no hydrogen 3.067 N/A TYR 120.A N ALA 116.A O no hydrogen 2.893 N/A TYR 120.A OH ASP 256.A OD1 no hydrogen 2.476 N/A MET 121.A N GLN 117.A O no hydrogen 3.046 N/A ALA 122.A N CYS 118.A O no hydrogen 3.051 N/A ARG 123.A N ALA 119.A O no hydrogen 2.850 N/A ARG 123.A NH1 GLY 141.A O no hydrogen 3.326 N/A CYS 124.A N TYR 120.A O no hydrogen 2.935 N/A CYS 124.A SG TYR 120.A O no hydrogen 3.289 N/A GLY 125.A N ALA 122.A O no hydrogen 3.091 N/A ASP 126.A N MET 121.A O no hydrogen 2.959 N/A VAL 127.A N MET 121.A O no hydrogen 3.386 N/A TRP 128.A N GLU 24.A O no hydrogen 2.808 N/A THR 130.A N ARG 144.A O no hydrogen 2.970 N/A THR 130.A OG1 SER 137.A OG no hydrogen 2.649 N/A THR 130.A OG1 SER 142.A OG no hydrogen 3.210 N/A THR 130.A OG1 ARG 144.A O no hydrogen 3.186 N/A GLY 131.A N ALA 26.A O no hydrogen 2.786 N/A SER 132.A N VAL 146.A O no hydrogen 3.240 N/A SER 132.A OG GLU 115.A OE2 no hydrogen 2.493 N/A GLN 133.A N ASN 31.A OD1 no hydrogen 3.055 N/A GLN 133.A NE2 ASN 148.A OD1 no hydrogen 2.830 N/A ASP 134.A N SER 132.A OG no hydrogen 2.985 N/A SER 137.A OG THR 130.A OG1 no hydrogen 2.649 N/A LEU 138.A N TYR 135.A O no hydrogen 3.133 N/A PHE 140.A N ASP 136.A O no hydrogen 3.102 N/A GLY 141.A N LEU 138.A O no hydrogen 2.926 N/A SER 142.A N SER 137.A O no hydrogen 2.888 N/A SER 142.A OG THR 130.A OG1 no hydrogen 3.210 N/A SER 142.A OG ARG 144.A O no hydrogen 2.669 N/A ARG 144.A NH1 TRP 128.A O no hydrogen 2.782 N/A LEU 145.A N MET 171.A O no hydrogen 2.764 N/A VAL 146.A N THR 130.A O no hydrogen 2.771 N/A ARG 147.A N GLU 169.A O no hydrogen 2.819 N/A ARG 147.A NE GLN 133.A O no hydrogen 2.957 N/A ARG 147.A NH1 GLU 169.A OE2 no hydrogen 2.607 N/A ARG 147.A NH2 GLN 133.A O no hydrogen 3.072 N/A ASN 148.A N GLN 133.A OE1 no hydrogen 2.772 N/A ASN 148.A ND2 LYS 167.A O no hydrogen 2.877 N/A ILE 151.A N ASN 148.A O no hydrogen 3.112 N/A GLY 153.A N VAL 166.A O no hydrogen 3.025 N/A ARG 155.A N ILE 164.A O no hydrogen 2.934 N/A ARG 155.A NH1 THR 39.A O no hydrogen 3.121 N/A ARG 155.A NH2 THR 39.A O no hydrogen 3.140 N/A HIS 157.A N GLU 162.A O no hydrogen 3.043 N/A GLY 161.A N HIS 157.A O no hydrogen 2.777 N/A ILE 164.A N ARG 155.A O no hydrogen 2.735 N/A VAL 166.A N GLY 153.A O no hydrogen 2.808 N/A GLU 169.A N ARG 147.A O no hydrogen 3.062 N/A ILE 170.A N GLU 13.A O no hydrogen 2.697 N/A MET 171.A N LEU 145.A O no hydrogen 2.772 N/A ARG 172.A NH1 GLU 13.A OE1 no hydrogen 2.707 N/A ARG 172.A NH2 GLU 13.A OE1 no hydrogen 3.314 N/A LEU 173.A N PRO 143.A O no hydrogen 2.807 N/A VAL 176.A N ARG 172.A O no hydrogen 2.977 N/A LEU 177.A N LEU 173.A O no hydrogen 2.988 N/A ASP 178.A N GLU 174.A O no hydrogen 3.128 N/A GLN 179.A N ASP 175.A O no hydrogen 2.682 N/A GLN 179.A NE2 GLU 11.A O no hydrogen 3.038 N/A LEU 180.A N VAL 176.A O no hydrogen 2.968 N/A GLY 181.A N ASP 178.A O no hydrogen 3.050 N/A LEU 182.A N LEU 177.A O no hydrogen 2.888 N/A GLU 183.A N GLN 187.A OE1 no hydrogen 2.690 N/A SER 184.A OG GLU 186.A OE1 no hydrogen 3.388 N/A ARG 185.A NH1 LEU 139.A O no hydrogen 2.616 N/A ARG 185.A NH1 PHE 249.A O no hydrogen 2.983 N/A GLU 186.A N GLU 186.A OE1 no hydrogen 2.652 N/A GLN 187.A N SER 184.A O no hydrogen 3.281 N/A GLN 187.A N SER 184.A OG no hydrogen 3.236 N/A GLN 187.A NE2 GLY 220.A O no hydrogen 2.753 N/A LEU 188.A N SER 184.A O no hydrogen 3.360 N/A VAL 189.A N ARG 185.A O no hydrogen 2.914 N/A ASP 190.A N GLU 186.A O no hydrogen 2.994 N/A LEU 191.A N GLN 187.A O no hydrogen 2.735 N/A ALA 192.A N LEU 188.A O no hydrogen 2.866 N/A ILE 193.A N VAL 189.A O no hydrogen 2.896 N/A LEU 194.A N ASP 190.A O no hydrogen 3.119 N/A LEU 195.A N LEU 191.A O no hydrogen 3.042 N/A GLY 196.A N ALA 192.A O no hydrogen 2.870 N/A THR 197.A N ASN 200.A O no hydrogen 3.311 N/A THR 197.A N ASN 200.A OD1 no hydrogen 2.927 N/A THR 197.A OG1 ASN 200.A OD1 no hydrogen 2.790 N/A TYR 199.A N THR 197.A OG1 no hydrogen 3.069 N/A TYR 199.A OH GLU 113.A OE2 no hydrogen 2.451 N/A ASN 200.A N THR 197.A O no hydrogen 2.999 N/A ASN 200.A ND2 ILE 193.A O no hydrogen 2.898 N/A GLY 203.A N ASN 200.A O no hydrogen 3.017 N/A VAL 204.A N LEU 194.A O no hydrogen 3.122 N/A ILE 207.A N VAL 204.A O no hydrogen 3.044 N/A ALA 212.A N GLY 208.A O no hydrogen 2.825 N/A LEU 213.A N PRO 209.A O no hydrogen 2.938 N/A GLN 214.A N LYS 210.A O no hydrogen 2.945 N/A LEU 215.A N ARG 211.A O no hydrogen 2.944 N/A ILE 216.A N ALA 212.A O no hydrogen 3.085 N/A ARG 217.A N LEU 213.A O no hydrogen 2.948 N/A LYS 218.A N GLN 214.A O no hydrogen 2.899 N/A LYS 218.A NZ TYR 219.A OH no hydrogen 3.157 N/A TYR 219.A N LEU 215.A O no hydrogen 2.881 N/A GLY 220.A N ILE 216.A O no hydrogen 2.686 N/A LEU 222.A N ASP 190.A OD2 no hydrogen 2.718 N/A GLU 224.A N SER 221.A OG no hydrogen 3.067 N/A LEU 225.A N SER 221.A O no hydrogen 3.257 N/A LEU 225.A N LEU 222.A O no hydrogen 3.073 N/A LYS 226.A N ASP 223.A O no hydrogen 3.146 N/A THR 228.A N LEU 225.A O no hydrogen 3.323 N/A THR 228.A OG1 LEU 225.A O no hydrogen 2.680 N/A TRP 231.A NE1 GLU 235.A OE1 no hydrogen 3.303 N/A ILE 234.A N ILE 230.A O no hydrogen 3.392 N/A GLU 235.A N TRP 231.A O no hydrogen 2.751 N/A ARG 236.A N PRO 232.A O no hydrogen 2.935 N/A HIS 237.A N ILE 234.A O no hydrogen 2.960 N/A HIS 237.A ND1 LYS 233.A O no hydrogen 3.063 N/A LEU 238.A N ILE 234.A O no hydrogen 2.994 N/A LYS 244.A NZ GLU 241.A OE1 no hydrogen 3.126 N/A LEU 245.A N GLU 241.A O no hydrogen 3.435 N/A ARG 246.A N PRO 242.A O no hydrogen 2.898 N/A ARG 246.A NE ASP 190.A OD1 no hydrogen 2.740 N/A ARG 246.A NH1 GLU 243.A OE1 no hydrogen 2.942 N/A ARG 246.A NH1 GLU 243.A OE2 no hydrogen 3.510 N/A ARG 247.A N GLU 243.A O no hydrogen 2.890 N/A ARG 247.A NH1 GLU 251.A OE2 no hydrogen 3.528 N/A LEU 248.A N LYS 244.A O no hydrogen 3.285 N/A LEU 248.A N LEU 245.A O no hydrogen 3.261 N/A PHE 249.A N ARG 246.A O no hydrogen 3.034 N/A LEU 250.A N ARG 246.A O no hydrogen 2.860 N/A GLU 251.A N ARG 247.A O no hydrogen 2.806 N/A THR 255.A N GLN 117.A OE1 no hydrogen 2.859 N/A ASP 257.A N THR 255.A OG1 no hydrogen 3.014 N/A TYR 258.A N ASP 256.A O no hydrogen 2.794 N/A TYR 258.A OH ASP 126.A OD2 no hydrogen 2.553 N/A TRP 262.A NE1 PRO 75.A O no hydrogen 2.957 N/A ASP 263.A N GLY 104.A O no hydrogen 2.900 N/A ASP 266.A N LEU 102.A O no hydrogen 2.793 N/A GLY 269.A N ASP 266.A OD1 no hydrogen 3.074 N/A LEU 270.A N ASP 266.A O no hydrogen 3.010 N/A VAL 271.A N GLU 267.A O no hydrogen 3.037 N/A GLU 272.A N GLU 268.A O no hydrogen 2.936 N/A PHE 273.A N GLY 269.A O no hydrogen 2.914 N/A LEU 274.A N LEU 270.A O no hydrogen 2.830 N/A VAL 275.A N VAL 271.A O no hydrogen 2.977 N/A GLU 276.A N VAL 271.A O no hydrogen 3.117 N/A GLU 277.A N GLU 272.A O no hydrogen 3.265 N/A GLU 277.A N PHE 273.A O no hydrogen 3.293 N/A ARG 278.A N LEU 274.A O no hydrogen 3.188 N/A ARG 278.A NH1 ASP 95.A OD2 no hydrogen 3.306 N/A ARG 278.A NH2 ASP 95.A OD2 no hydrogen 3.244 N/A ASP 279.A N VAL 275.A O no hydrogen 3.119 N/A PHE 280.A N LEU 274.A O no hydrogen 2.884 N/A ARG 284.A N SER 281.A OG no hydrogen 3.300 N/A VAL 285.A N SER 281.A O no hydrogen 2.958 N/A ARG 286.A N GLU 282.A O no hydrogen 2.892 N/A ARG 286.A NE GLU 282.A OE2 no hydrogen 2.945 N/A ARG 286.A NH1 GLU 267.A OE2 no hydrogen 2.746 N/A ARG 286.A NH1 GLU 268.A OE2 no hydrogen 2.922 N/A ARG 286.A NH2 GLU 268.A OE1 no hydrogen 2.991 N/A ARG 286.A NH2 GLU 282.A OE2 no hydrogen 3.193 N/A ARG 287.A N ASP 283.A O no hydrogen 2.966 N/A ARG 287.A NH1 GLU 290.A OE1 no hydrogen 2.833 N/A ALA 288.A N ARG 284.A O no hydrogen 2.886 N/A VAL 289.A N VAL 285.A O no hydrogen 2.892 N/A GLU 290.A N ARG 286.A O no hydrogen 3.046 N/A ARG 291.A N ARG 287.A O no hydrogen 2.892 N/A ARG 291.A NE GLU 70.A OE2 no hydrogen 2.930 N/A ARG 291.A NH2 ASN 67.A OD1 no hydrogen 2.898 N/A ARG 291.A NH2 GLU 70.A OE1 no hydrogen 2.862 N/A LEU 292.A N ALA 288.A O no hydrogen 2.876 N/A LYS 293.A N VAL 289.A O no hydrogen 2.995 N/A GLU 294.A N GLU 290.A O no hydrogen 3.035 N/A ALA 295.A N ARG 291.A O no hydrogen 2.985 N/A LEU 296.A N LEU 292.A O no hydrogen 2.965 N/A GLN 297.A N LYS 293.A O no hydrogen 2.983 N/A GLU 298.A N GLU 294.A O no hydrogen 2.937 N/A LEU 299.A N ALA 295.A O no hydrogen 3.204 N/A ARG 300.A N LEU 296.A O no hydrogen 2.926 N/A ARG 300.A NH1 GLU 264.A OE2 no hydrogen 3.303 N/A ARG 300.A NH2 TRP 262.A O no hydrogen 3.225 N/A LYS 301.A N GLN 297.A O no hydrogen 3.126 N/A GLY 303.A N ARG 300.A O no hydrogen 2.890 N/A