Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2x8j_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 1.A N SER 122.A OG no hydrogen 3.222 N/A PHE 3.A N GLY 123.A O no hydrogen 3.184 N/A ARG 4.A N GLY 154.A O no hydrogen 2.994 N/A ARG 4.A NH1 LYS 2.A O no hydrogen 3.304 N/A LEU 5.A N GLY 121.A O no hydrogen 2.879 N/A ILE 6.A N SER 152.A O no hydrogen 3.017 N/A LYS 9.A N SER 233.A O no hydrogen 2.806 N/A VAL 11.A N GLU 231.A O no hydrogen 2.786 N/A ASP 12.A N GLU 231.A O no hydrogen 3.394 N/A VAL 14.A N TYR 229.A O no hydrogen 3.181 N/A GLU 19.A N GLY 101.A O no hydrogen 2.986 N/A GLU 25.A N.A PRO 21.A O no hydrogen 3.288 N/A GLU 25.A N.B PRO 21.A O no hydrogen 3.325 N/A ILE 26.A N MET 22.A O no hydrogen 2.979 N/A VAL 27.A N GLY 23.A O no hydrogen 3.257 N/A GLU 28.A N GLU 25.A O.A no hydrogen 2.929 N/A GLU 28.A N GLU 25.A O.B no hydrogen 2.896 N/A ALA 31.A N GLU 28.A O no hydrogen 3.170 N/A VAL 32.A N ALA 29.A O no hydrogen 3.029 N/A TRP 33.A N PRO 30.A O no hydrogen 3.279 N/A TRP 33.A NE1 VAL 105.A O no hydrogen 2.849 N/A SER 36.A N VAL 32.A O no hydrogen 3.007 N/A SER 36.A OG VAL 32.A O no hydrogen 2.612 N/A SER 36.A OG TRP 33.A O no hydrogen 3.273 N/A ALA 37.A N ARG 34.A O no hydrogen 3.002 N/A LYS 38.A N TRP 33.A O no hydrogen 3.001 N/A LYS 38.A NZ GLU 97.A OE1 no hydrogen 2.835 N/A GLY 39.A N SER 36.A O no hydrogen 2.998 N/A ALA 40.A N ALA 37.A O no hydrogen 2.874 N/A GLN 42.A N GLY 39.A O no hydrogen 3.072 N/A GLN 42.A NE2 ASN 251.A OD1 no hydrogen 2.715 N/A ILE 44.A N ASP 110.A O no hydrogen 2.860 N/A GLY 45.A N ILE 148.A O no hydrogen 2.799 N/A VAL 46.A N PHE 112.A O no hydrogen 3.023 N/A ILE 47.A N THR 150.A O no hydrogen 3.044 N/A ASP 48.A N ILE 114.A O no hydrogen 3.059 N/A THR 49.A N ASP 48.A OD1 no hydrogen 2.977 N/A THR 49.A OG1 ASP 48.A OD1 no hydrogen 3.502 N/A THR 49.A OG1 ASP 81.A OD1 no hydrogen 2.740 N/A CYS 51.A N PHE 79.A O no hydrogen 2.980 N/A CYS 51.A SG GLN 52.A O no hydrogen 3.850 N/A GLN 52.A N THR 87.A OG1 no hydrogen 2.960 N/A GLN 52.A NE2 ASP 54.A OD1 no hydrogen 3.058 N/A GLN 52.A NE2 SER 227.A OG no hydrogen 2.962 N/A HIS 55.A N GLN 52.A O no hydrogen 3.206 N/A HIS 55.A NE2 GLY 228.A O no hydrogen 2.928 N/A ASP 57.A N HIS 55.A ND1 no hydrogen 3.151 N/A LEU 58.A N HIS 55.A O no hydrogen 2.886 N/A ALA 59.A N HIS 55.A O no hydrogen 2.834 N/A ARG 61.A N LEU 58.A O no hydrogen 2.878 N/A ARG 61.A NH1 ALA 109.A O no hydrogen 2.631 N/A ARG 61.A NH1 ASP 110.A OD1 no hydrogen 2.602 N/A ILE 63.A N LEU 111.A O no hydrogen 2.897 N/A VAL 66.A N ILE 113.A O no hydrogen 2.760 N/A ASN 67.A N GLU 76.A O no hydrogen 2.823 N/A ASN 67.A ND2 ASP 71.A O no hydrogen 3.003 N/A ASN 67.A ND2 ASP 75.A O no hydrogen 3.214 N/A LEU 68.A N LYS 115.A O no hydrogen 2.795 N/A THR 69.A N ASN 67.A OD1 no hydrogen 3.097 N/A THR 69.A OG1 ASN 67.A OD1 no hydrogen 2.565 N/A ASP 71.A N THR 69.A OG1 no hydrogen 3.122 N/A TYR 72.A OH SER 80.A O no hydrogen 2.616 N/A GLY 74.A N THR 70.A O no hydrogen 3.301 N/A GLY 74.A N ASP 71.A O no hydrogen 3.132 N/A ASP 75.A N TYR 72.A O no hydrogen 3.081 N/A THR 77.A N ASP 75.A OD1 no hydrogen 2.941 N/A THR 77.A OG1 ASP 75.A OD1 no hydrogen 2.593 N/A THR 77.A OG1 ASP 75.A OD2 no hydrogen 3.221 N/A ASN 78.A N ASP 75.A O no hydrogen 2.991 N/A SER 80.A N ASN 78.A OD1 no hydrogen 3.108 N/A SER 80.A OG TYR 72.A OH no hydrogen 3.126 N/A SER 80.A OG ASN 78.A OD1 no hydrogen 2.583 N/A ASN 83.A N ASP 81.A OD1 no hydrogen 2.873 N/A ASN 83.A ND2 GLY 119.A O no hydrogen 2.967 N/A GLY 84.A N ASP 81.A OD1 no hydrogen 2.844 N/A HIS 85.A N ASN 83.A OD1 no hydrogen 2.849 N/A HIS 85.A ND1 ASP 48.A OD1 no hydrogen 2.655 N/A GLY 86.A N THR 49.A OG1 no hydrogen 2.885 N/A THR 87.A N ASP 81.A OD2 no hydrogen 3.079 N/A THR 87.A OG1 ASP 81.A OD2 no hydrogen 2.676 N/A HIS 88.A N GLY 84.A O no hydrogen 3.090 N/A VAL 89.A N HIS 85.A O no hydrogen 3.045 N/A ALA 90.A N GLY 86.A O no hydrogen 3.027 N/A GLY 91.A N THR 87.A O no hydrogen 3.126 N/A THR 92.A N HIS 88.A O no hydrogen 3.256 N/A VAL 93.A N VAL 89.A O no hydrogen 3.083 N/A ALA 94.A N ALA 90.A O no hydrogen 2.964 N/A ALA 95.A N GLY 91.A O no hydrogen 3.114 N/A ALA 96.A N ASP 57.A O no hydrogen 2.833 N/A THR 98.A OG1 ASP 57.A OD1 no hydrogen 3.218 N/A SER 100.A N THR 98.A OG1 no hydrogen 3.315 N/A GLY 101.A N LEU 17.A O no hydrogen 2.874 N/A VAL 102.A N ASP 57.A OD2 no hydrogen 3.007 N/A GLY 104.A N ALA 95.A O no hydrogen 2.872 N/A VAL 105.A N THR 92.A O no hydrogen 2.915 N/A ALA 106.A N VAL 93.A O no hydrogen 2.893 N/A LYS 108.A N LYS 38.A O no hydrogen 2.855 N/A ALA 109.A N ALA 106.A O no hydrogen 2.966 N/A ASP 110.A N GLN 42.A O no hydrogen 2.994 N/A LEU 111.A N ARG 61.A O no hydrogen 2.841 N/A PHE 112.A N ILE 44.A O no hydrogen 2.945 N/A ILE 113.A N GLY 64.A O no hydrogen 2.967 N/A ILE 114.A N VAL 46.A O no hydrogen 2.815 N/A LYS 115.A N VAL 66.A O no hydrogen 2.901 N/A LYS 115.A NZ THR 49.A O no hydrogen 2.795 N/A LYS 115.A NZ ASP 71.A OD2 no hydrogen 3.254 N/A LYS 115.A NZ LEU 117.A O no hydrogen 2.798 N/A ALA 116.A N ASP 48.A O no hydrogen 2.893 N/A LEU 117.A N ASP 48.A O no hydrogen 3.198 N/A SER 118.A N SER 122.A O no hydrogen 2.799 N/A SER 118.A OG SER 122.A O no hydrogen 3.361 N/A GLY 121.A N SER 118.A O no hydrogen 2.758 N/A SER 122.A N ASP 120.A OD1 no hydrogen 2.864 N/A SER 122.A OG ASP 120.A OD1 no hydrogen 2.517 N/A SER 122.A OG ASP 120.A OD2 no hydrogen 3.225 N/A GLY 123.A N PHE 3.A O no hydrogen 2.699 N/A TRP 127.A N GLU 124.A O no hydrogen 2.915 N/A ILE 128.A N GLU 124.A O no hydrogen 3.307 N/A ALA 129.A N MET 125.A O no hydrogen 2.956 N/A LYS 130.A N GLY 126.A O no hydrogen 3.061 N/A ALA 131.A N TRP 127.A O no hydrogen 2.836 N/A ILE 132.A N ILE 128.A O no hydrogen 3.023 N/A ARG 133.A N.A ALA 129.A O no hydrogen 3.118 N/A ARG 133.A N.B ALA 129.A O no hydrogen 3.088 N/A TYR 134.A N LYS 130.A O no hydrogen 2.730 N/A ALA 135.A N ALA 131.A O no hydrogen 3.062 N/A VAL 136.A N ILE 132.A O no hydrogen 3.145 N/A ASP 137.A N ARG 133.A O.A no hydrogen 3.034 N/A ASP 137.A N ARG 133.A O.B no hydrogen 3.048 N/A TRP 138.A N TYR 134.A O no hydrogen 3.057 N/A ARG 139.A NH1 VAL 136.A O no hydrogen 2.935 N/A ARG 139.A NH1 TRP 138.A O no hydrogen 3.024 N/A GLY 140.A N GLU 144.A O no hydrogen 2.937 N/A LYS 142.A N GLU 144.A OE1 no hydrogen 2.820 N/A GLY 143.A N GLY 140.A O no hydrogen 3.175 N/A GLU 144.A N GLU 144.A OE1 no hydrogen 2.693 N/A ARG 147.A NH1 GLU 254.A OE1 no hydrogen 3.418 N/A ARG 147.A NH1 GLU 254.A OE2 no hydrogen 2.985 N/A ARG 147.A NH2 GLU 254.A OE2 no hydrogen 3.042 N/A ILE 149.A N SER 175.A O no hydrogen 2.957 N/A THR 150.A N GLY 45.A O no hydrogen 2.849 N/A MET 151.A N VAL 177.A O no hydrogen 3.029 N/A SER 152.A OG ALA 236.A O no hydrogen 3.087 N/A GLY 154.A N ARG 4.A O no hydrogen 2.955 N/A GLY 155.A N TYR 185.A O no hydrogen 2.787 N/A HIS 163.A N SER 159.A O no hydrogen 3.002 N/A HIS 163.A NE2 GLU 191.A OE1 no hydrogen 2.784 N/A ASP 164.A N GLU 160.A O no hydrogen 2.816 N/A ALA 165.A N GLU 161.A O no hydrogen 3.119 N/A VAL 166.A N LEU 162.A O no hydrogen 2.924 N/A LYS 167.A N HIS 163.A O no hydrogen 2.943 N/A TYR 168.A N ASP 164.A O no hydrogen 2.893 N/A TYR 168.A OH ASP 137.A OD1 no hydrogen 2.729 N/A ALA 169.A N ALA 165.A O no hydrogen 3.091 N/A VAL 170.A N VAL 166.A O no hydrogen 3.049 N/A SER 171.A N LYS 167.A O no hydrogen 2.896 N/A SER 171.A OG LYS 167.A O no hydrogen 2.727 N/A SER 171.A OG TYR 168.A O no hydrogen 3.070 N/A ASN 172.A N TYR 168.A O no hydrogen 2.961 N/A ASN 172.A ND2 TYR 168.A O no hydrogen 2.840 N/A ASN 173.A N VAL 170.A O no hydrogen 3.098 N/A VAL 174.A N ALA 169.A O no hydrogen 2.879 N/A SER 175.A N ARG 147.A O no hydrogen 2.873 N/A VAL 177.A N ILE 149.A O no hydrogen 2.918 N/A ALA 179.A N VAL 195.A O no hydrogen 3.067 N/A ALA 184.A N ASN 181.A O no hydrogen 3.350 N/A TYR 185.A N GLY 155.A O no hydrogen 2.929 N/A ALA 188.A N ALA 184.A O no hydrogen 2.796 N/A TYR 189.A N PRO 186.A O no hydrogen 3.046 N/A TYR 189.A OH ASP 158.A OD1 no hydrogen 2.744 N/A VAL 192.A N TYR 189.A O no hydrogen 3.131 N/A ILE 193.A N VAL 176.A O no hydrogen 2.762 N/A ALA 194.A N ASP 212.A OD1 no hydrogen 2.951 N/A GLY 196.A N ILE 213.A O no hydrogen 2.846 N/A VAL 198.A N ALA 215.A O no hydrogen 2.973 N/A ASP 199.A N ARG 203.A O no hydrogen 3.006 N/A ASP 201.A N ASP 199.A OD1 no hydrogen 2.845 N/A LEU 202.A N ASP 199.A O no hydrogen 2.827 N/A ARG 203.A N ASP 199.A OD1 no hydrogen 2.975 N/A ARG 203.A NE ASP 199.A OD2 no hydrogen 2.906 N/A ARG 203.A NH1 ASP 199.A OD2 no hydrogen 3.291 N/A SER 205.A N.A ALA 197.A O no hydrogen 3.006 N/A SER 205.A N.B ALA 197.A O no hydrogen 3.000 N/A ASP 212.A N ALA 194.A O no hydrogen 2.841 N/A VAL 214.A N GLY 287.A O no hydrogen 2.905 N/A ALA 215.A N GLY 196.A O no hydrogen 3.000 N/A GLY 217.A N VAL 198.A O no hydrogen 2.792 N/A GLY 219.A N SER 233.A OG no hydrogen 2.830 N/A ILE 220.A N LEU 232.A O no hydrogen 2.834 N/A LYS 221.A NZ GLU 19.A OE2 no hydrogen 3.060 N/A SER 222.A N ALA 230.A O no hydrogen 2.988 N/A SER 222.A OG HIS 88.A O no hydrogen 2.689 N/A THR 223.A N SER 222.A OG no hydrogen 2.693 N/A THR 223.A OG1 THR 87.A O no hydrogen 2.661 N/A TYR 224.A N GLY 228.A O no hydrogen 2.768 N/A SER 227.A N GLN 52.A OE1 no hydrogen 2.773 N/A GLY 228.A N LEU 225.A O no hydrogen 2.916 N/A TYR 229.A N VAL 14.A O no hydrogen 2.836 N/A TYR 229.A OH ASP 57.A OD2 no hydrogen 2.914 N/A ALA 230.A N SER 222.A O no hydrogen 3.010 N/A GLU 231.A N ASP 12.A O no hydrogen 2.950 N/A LEU 232.A N ILE 220.A O no hydrogen 2.993 N/A SER 233.A N LYS 9.A O no hydrogen 2.978 N/A GLY 234.A N GLY 217.A O no hydrogen 2.932 N/A MET 237.A N GLY 234.A O no hydrogen 3.091 N/A ALA 238.A N THR 235.A O no hydrogen 3.160 N/A HIS 241.A N ALA 238.A O no hydrogen 2.888 N/A ALA 243.A N ALA 239.A O no hydrogen 3.029 N/A GLY 244.A N PRO 240.A O no hydrogen 3.041 N/A ALA 245.A N HIS 241.A O no hydrogen 3.012 N/A LEU 246.A N VAL 242.A O no hydrogen 2.980 N/A LEU 248.A N GLY 244.A O no hydrogen 3.391 N/A ILE 249.A N ALA 245.A O no hydrogen 2.868 N/A ILE 250.A N LEU 246.A O no hydrogen 2.913 N/A ASN 251.A N ALA 247.A O no hydrogen 3.409 N/A ASN 251.A ND2 SER 36.A O no hydrogen 2.909 N/A ASN 251.A ND2 ALA 40.A O no hydrogen 2.722 N/A LEU 252.A N LEU 248.A O no hydrogen 2.967 N/A ALA 253.A N ILE 249.A O no hydrogen 2.781 N/A GLU 254.A N ILE 250.A O no hydrogen 2.874 N/A ASP 255.A N ASN 251.A O no hydrogen 2.926 N/A ALA 256.A N LEU 252.A O no hydrogen 3.081 N/A PHE 257.A N ALA 253.A O no hydrogen 2.883 N/A LYS 258.A N GLU 254.A O no hydrogen 2.842 N/A LYS 258.A NZ ASP 255.A O no hydrogen 3.536 N/A LYS 258.A NZ ALA 256.A O no hydrogen 3.100 N/A ARG 259.A NH2.B GLU 265.A OE2 no hydrogen 2.670 N/A LEU 261.A N GLU 254.A OE2 no hydrogen 2.937 N/A SER 262.A N GLU 265.A OE1 no hydrogen 2.892 N/A SER 262.A OG GLU 265.A OE1 no hydrogen 3.027 N/A GLU 263.A N ASN 173.A OD1 no hydrogen 2.914 N/A GLU 265.A N SER 262.A OG no hydrogen 3.054 N/A ILE 266.A N SER 262.A O no hydrogen 2.795 N/A TYR 267.A N GLU 263.A O no hydrogen 2.911 N/A TYR 267.A OH ASP 212.A OD2 no hydrogen 2.583 N/A ALA 268.A N THR 264.A O no hydrogen 3.022 N/A GLN 269.A N GLU 265.A O no hydrogen 2.955 N/A LEU 270.A N ILE 266.A O no hydrogen 2.937 N/A VAL 271.A N TYR 267.A O no hydrogen 2.893 N/A ARG 272.A N.A ALA 268.A O no hydrogen 2.909 N/A ARG 272.A N.B ALA 268.A O no hydrogen 2.832 N/A ARG 272.A NH2.A GLN 269.A OE1 no hydrogen 2.968 N/A ARG 273.A N LEU 270.A O no hydrogen 2.953 N/A ARG 273.A NH1 GLN 269.A O no hydrogen 2.817 N/A ARG 273.A NH1 GLN 269.A OE1 no hydrogen 3.000 N/A ALA 274.A N VAL 271.A O no hydrogen 3.174 N/A THR 275.A N PHE 288.A O no hydrogen 2.938 N/A THR 275.A OG1 THR 290.A OG1 no hydrogen 2.597 N/A ILE 277.A N GLU 284.A OE1 no hydrogen 2.883 N/A ILE 277.A N GLU 284.A OE2 no hydrogen 3.206 N/A GLY 278.A N GLU 284.A OE2 no hydrogen 2.944 N/A PHE 279.A N GLU 284.A OE2 no hydrogen 2.888 N/A ALA 283.A N THR 280.A O no hydrogen 2.930 N/A GLU 284.A N THR 280.A O no hydrogen 2.978 N/A ASN 286.A N ASP 212.A O no hydrogen 2.975 N/A ASN 286.A ND2 ASP 212.A O no hydrogen 2.983 N/A GLY 287.A N GLU 284.A O no hydrogen 3.032 N/A PHE 288.A N THR 275.A O no hydrogen 2.914 N/A LEU 289.A N VAL 214.A O no hydrogen 3.011 N/A THR 290.A N ARG 273.A O no hydrogen 2.826 N/A THR 290.A OG1 ARG 273.A O no hydrogen 3.555 N/A THR 290.A OG1 THR 275.A OG1 no hydrogen 2.597 N/A LEU 291.A N VAL 27.A O no hydrogen 2.917 N/A ASP 292.A N.A GLU 28.A OE1 no hydrogen 2.921 N/A ASP 292.A N.B GLU 28.A OE1 no hydrogen 2.968 N/A LEU 293.A N THR 290.A O no hydrogen 3.149 N/A ARG 296.A N ASP 292.A O.A no hydrogen 3.338 N/A ARG 296.A N ASP 292.A O.B no hydrogen 3.344 N/A ARG 296.A NH1 GLU 28.A OE1 no hydrogen 3.155 N/A ARG 296.A NH1 GLU 28.A OE2 no hydrogen 3.165 N/A ARG 296.A NH2 GLU 28.A OE1 no hydrogen 2.959 N/A ARG 296.A NH2 ASP 292.A OD2.B no hydrogen 2.268 N/A ILE 297.A N LEU 293.A O no hydrogen 3.035 N/A THR 298.A N VAL 294.A O no hydrogen 3.262 N/A THR 298.A OG1 VAL 294.A O no hydrogen 2.723 N/A GLN 300.A N ILE 297.A O no hydrogen 3.084 N/A THR 302.A OG1 PHE 301.A O no hydrogen 3.417 N/A