Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3hju_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 2.A NE GLU 78.A OE2 no hydrogen 2.753 N/A ARG 2.A NH2 GLY 21.A O no hydrogen 3.168 N/A ARG 2.A NH2 GLU 78.A OE1 no hydrogen 2.969 N/A THR 4.A N ILE 8.A O no hydrogen 2.621 N/A THR 4.A OG1 GLN 6.A OE1 no hydrogen 3.171 N/A THR 4.A OG1 ILE 8.A O no hydrogen 3.143 N/A GLN 6.A N GLN 6.A OE1 no hydrogen 2.855 N/A SER 7.A N THR 4.A O no hydrogen 2.791 N/A ILE 8.A N THR 4.A OG1 no hydrogen 3.160 N/A TYR 10.A N ARG 2.A O no hydrogen 2.942 N/A LEU 16.A N LEU 24.A O no hydrogen 2.964 N/A ASN 18.A N GLN 22.A O no hydrogen 2.937 N/A ASN 18.A ND2 GLN 22.A OE1 no hydrogen 2.962 N/A ASN 18.A ND2 ASP 93.A OD2 no hydrogen 2.963 N/A ASP 20.A N ASN 18.A OD1 no hydrogen 2.772 N/A GLY 21.A N ASN 18.A O no hydrogen 2.827 N/A GLN 22.A N ASN 18.A OD1 no hydrogen 2.896 N/A TYR 23.A N GLU 78.A OE1 no hydrogen 2.789 N/A LEU 24.A N LEU 16.A O no hydrogen 2.906 N/A PHE 25.A N SER 77.A OG no hydrogen 2.814 N/A CYS 26.A N PRO 14.A O no hydrogen 3.071 N/A CYS 26.A SG LEU 24.A O no hydrogen 3.832 N/A CYS 26.A SG TYR 28.A OH no hydrogen 3.864 N/A ARG 27.A N ALA 68.A O no hydrogen 2.890 N/A ARG 27.A NE SER 49.A OG no hydrogen 2.703 N/A TYR 28.A OH HIS 97.A NE2 no hydrogen 2.975 N/A TRP 29.A N VAL 66.A O no hydrogen 2.812 N/A TRP 29.A NE1 GLU 53.A OE2 no hydrogen 3.112 N/A LYS 36.A N ASP 63.A O no hydrogen 2.824 N/A LEU 38.A N PRO 109.A O no hydrogen 2.834 N/A ILE 39.A N LEU 65.A O no hydrogen 3.033 N/A PHE 40.A N PHE 111.A O no hydrogen 2.804 N/A VAL 41.A N PHE 67.A O no hydrogen 2.913 N/A SER 42.A N LEU 113.A O no hydrogen 2.774 N/A SER 42.A OG GLY 118.A O no hydrogen 2.738 N/A HIS 43.A ND1 GLY 44.A O no hydrogen 2.846 N/A GLY 44.A N GLU 47.A OE2 no hydrogen 2.744 N/A GLY 46.A N HIS 74.A NE2 no hydrogen 3.157 N/A GLU 47.A N GLY 44.A O no hydrogen 3.275 N/A HIS 48.A NE2 ASP 191.A OD2 no hydrogen 2.657 N/A SER 49.A N ASP 70.A OD1 no hydrogen 2.791 N/A SER 49.A OG ASP 70.A OD1 no hydrogen 2.699 N/A GLY 50.A N HIS 48.A ND1 no hydrogen 3.097 N/A ARG 51.A N HIS 48.A O no hydrogen 3.313 N/A ARG 51.A NE GLU 47.A OE1 no hydrogen 3.153 N/A TYR 52.A N SER 49.A O no hydrogen 3.087 N/A TYR 52.A OH GLU 47.A OE2 no hydrogen 2.530 N/A GLU 54.A N GLU 54.A OE1 no hydrogen 2.758 N/A ALA 56.A N TYR 52.A O no hydrogen 2.792 N/A ARG 57.A N GLU 53.A O no hydrogen 3.014 N/A ARG 57.A NE GLU 53.A OE2 no hydrogen 2.891 N/A ARG 57.A NH2 GLU 53.A OE2 no hydrogen 2.770 N/A MET 58.A N GLU 54.A O no hydrogen 3.086 N/A LEU 59.A N LEU 55.A O no hydrogen 3.055 N/A MET 60.A N ALA 56.A O no hydrogen 2.924 N/A GLY 61.A N ARG 57.A O no hydrogen 3.023 N/A LEU 62.A N LEU 59.A O no hydrogen 2.874 N/A ASP 63.A N MET 60.A O no hydrogen 2.728 N/A LEU 64.A N LEU 59.A O no hydrogen 3.248 N/A LEU 65.A N ALA 37.A O no hydrogen 2.826 N/A VAL 66.A N TRP 29.A O no hydrogen 3.169 N/A PHE 67.A N ILE 39.A O no hydrogen 2.920 N/A ALA 68.A N ARG 27.A O no hydrogen 3.005 N/A HIS 69.A ND1 HIS 97.A ND1 no hydrogen 2.917 N/A ASP 70.A N PHE 25.A O no hydrogen 2.905 N/A HIS 71.A N HIS 43.A NE2 no hydrogen 2.983 N/A GLY 73.A N GLU 78.A O no hydrogen 2.912 N/A HIS 74.A N HIS 71.A O no hydrogen 2.941 N/A HIS 74.A ND1 VAL 72.A O no hydrogen 2.956 N/A GLN 76.A N ASP 70.A OD2 no hydrogen 2.708 N/A SER 77.A N HIS 74.A O no hydrogen 2.974 N/A SER 77.A OG ASP 70.A O no hydrogen 2.585 N/A GLU 78.A N TYR 23.A O no hydrogen 2.767 N/A ARG 81.A NE GLY 79.A O no hydrogen 3.381 N/A ARG 81.A NH1 SER 77.A O no hydrogen 2.718 N/A ARG 81.A NH1 GLY 79.A O no hydrogen 2.967 N/A ARG 81.A NH2 GLY 75.A O no hydrogen 2.857 N/A MET 82.A N GLY 73.A O no hydrogen 2.980 N/A PHE 87.A N GLN 206.A OE1 no hydrogen 2.908 N/A HIS 88.A N ASP 86.A OD2 no hydrogen 2.964 N/A HIS 88.A NE2 GLU 128.A OE1 no hydrogen 2.794 N/A VAL 89.A N ASP 86.A O no hydrogen 2.814 N/A PHE 90.A N PHE 87.A O no hydrogen 2.982 N/A ARG 92.A N HIS 88.A O no hydrogen 2.854 N/A ARG 92.A NE ASP 93.A OD1 no hydrogen 2.845 N/A ARG 92.A NH1 ASP 20.A OD1 no hydrogen 3.289 N/A ARG 92.A NH1 ASP 20.A OD2 no hydrogen 3.358 N/A ARG 92.A NH2 ASP 20.A OD2 no hydrogen 3.245 N/A ARG 92.A NH2 ASP 93.A OD1 no hydrogen 2.736 N/A ASP 93.A N VAL 89.A O no hydrogen 3.074 N/A VAL 94.A N PHE 90.A O no hydrogen 3.013 N/A LEU 95.A N VAL 91.A O no hydrogen 2.926 N/A GLN 96.A N ARG 92.A O no hydrogen 2.845 N/A GLN 96.A NE2 VAL 17.A O no hydrogen 2.876 N/A HIS 97.A N ASP 93.A O no hydrogen 3.049 N/A HIS 97.A ND1 HIS 69.A ND1 no hydrogen 2.917 N/A HIS 97.A NE2 TYR 28.A OH no hydrogen 2.975 N/A VAL 98.A N VAL 94.A O no hydrogen 2.924 N/A ASP 99.A N LEU 95.A O no hydrogen 2.840 N/A SER 100.A N GLN 96.A O no hydrogen 3.027 N/A SER 100.A OG GLN 96.A O no hydrogen 3.480 N/A MET 101.A N HIS 97.A O no hydrogen 2.990 N/A GLN 102.A N VAL 98.A O no hydrogen 2.813 N/A LYS 103.A N ASP 99.A O no hydrogen 3.115 N/A ASP 104.A N SER 100.A O no hydrogen 3.382 N/A ASP 104.A N MET 101.A O no hydrogen 3.101 N/A TYR 105.A N GLN 102.A O no hydrogen 3.230 N/A LEU 108.A N TYR 105.A O no hydrogen 3.149 N/A PHE 111.A N LEU 38.A O no hydrogen 2.603 N/A LEU 112.A N GLY 135.A O no hydrogen 3.044 N/A LEU 113.A N PHE 40.A O no hydrogen 2.781 N/A GLY 114.A N VAL 137.A O no hydrogen 2.842 N/A HIS 115.A N SER 42.A O no hydrogen 3.217 N/A HIS 115.A ND1 ILE 139.A O no hydrogen 2.859 N/A SER 116.A N ILE 139.A O no hydrogen 3.143 N/A SER 116.A OG HIS 263.A NE2 no hydrogen 2.712 N/A GLY 118.A N HIS 115.A O no hydrogen 2.628 N/A GLY 119.A N SER 116.A O no hydrogen 2.975 N/A ALA 120.A N SER 116.A O no hydrogen 3.238 N/A ILE 121.A N MET 117.A O no hydrogen 2.964 N/A ALA 122.A N GLY 118.A O no hydrogen 3.009 N/A ILE 123.A N GLY 119.A O no hydrogen 2.982 N/A LEU 124.A N ALA 120.A O no hydrogen 2.950 N/A THR 125.A N ILE 121.A O no hydrogen 2.767 N/A THR 125.A OG1 ILE 121.A O no hydrogen 2.707 N/A ALA 126.A N ALA 122.A O no hydrogen 2.852 N/A ALA 127.A N ILE 123.A O no hydrogen 2.942 N/A GLU 128.A N LEU 124.A O no hydrogen 3.056 N/A ARG 129.A N ALA 126.A O no hydrogen 3.036 N/A ARG 129.A NH1 ASP 99.A OD1 no hydrogen 2.691 N/A ARG 129.A NH1 ASP 99.A OD2 no hydrogen 3.359 N/A ARG 129.A NH2 ASP 99.A OD2 no hydrogen 3.127 N/A HIS 132.A N ARG 129.A O no hydrogen 2.965 N/A HIS 132.A NE2 GLN 102.A OE1 no hydrogen 2.665 N/A ALA 134.A N VAL 110.A O no hydrogen 2.949 N/A MET 136.A N PRO 224.A O no hydrogen 2.759 N/A VAL 137.A N LEU 112.A O no hydrogen 2.762 N/A LEU 138.A N LEU 226.A O no hydrogen 2.880 N/A ILE 139.A N GLY 114.A O no hydrogen 2.797 N/A SER 140.A N LEU 228.A O no hydrogen 2.888 N/A SER 140.A OG HIS 263.A O no hydrogen 2.625 N/A LEU 142.A N SER 116.A O no hydrogen 2.884 N/A SER 149.A N ASN 146.A O no hydrogen 2.936 N/A LYS 154.A N THR 151.A OG1 no hydrogen 3.174 N/A VAL 155.A N THR 151.A O no hydrogen 3.018 N/A LEU 156.A N THR 152.A O no hydrogen 2.977 N/A ALA 157.A N PHE 153.A O no hydrogen 2.882 N/A ALA 158.A N LYS 154.A O no hydrogen 2.920 N/A LYS 159.A N VAL 155.A O no hydrogen 2.940 N/A VAL 160.A N LEU 156.A O no hydrogen 2.918 N/A LEU 161.A N ALA 157.A O no hydrogen 3.094 N/A ASN 162.A N ALA 158.A O no hydrogen 2.865 N/A LEU 163.A N LYS 159.A O no hydrogen 3.341 N/A VAL 164.A N LEU 161.A O no hydrogen 3.087 N/A LEU 165.A N LEU 161.A O no hydrogen 2.786 N/A LEU 168.A N LEU 165.A O no hydrogen 3.076 N/A LEU 170.A N LEU 199.A O no hydrogen 2.732 N/A GLY 171.A N SER 169.A OG no hydrogen 2.934 N/A SER 175.A OG ASN 189.A OD1 no hydrogen 3.124 N/A SER 176.A N ASP 174.A OD1 no hydrogen 3.196 N/A SER 176.A OG ASP 174.A OD1 no hydrogen 2.993 N/A SER 176.A OG ASP 174.A OD2 no hydrogen 2.904 N/A VAL 177.A N ASP 174.A O no hydrogen 3.046 N/A LEU 178.A N SER 175.A O no hydrogen 3.074 N/A SER 179.A OG LYS 267.A O no hydrogen 2.708 N/A ARG 180.A N GLU 268.A OE1 no hydrogen 3.501 N/A ARG 180.A NE GLU 268.A OE2 no hydrogen 2.656 N/A ARG 180.A NH2 GLU 268.A OE2 no hydrogen 2.964 N/A ASN 181.A N SER 179.A OG no hydrogen 2.968 N/A ASN 181.A ND2 GLU 268.A O no hydrogen 3.118 N/A GLU 184.A N ASN 181.A OD1 no hydrogen 3.140 N/A VAL 185.A N ASN 181.A O no hydrogen 3.184 N/A ASP 186.A N LYS 182.A O no hydrogen 2.995 N/A ILE 187.A N THR 183.A O no hydrogen 2.935 N/A TYR 188.A N GLU 184.A O no hydrogen 3.013 N/A ASN 189.A N VAL 185.A O no hydrogen 2.850 N/A ASN 189.A ND2 SER 175.A OG no hydrogen 3.139 N/A SER 190.A N ILE 187.A O no hydrogen 3.035 N/A SER 190.A OG ASP 186.A O no hydrogen 2.911 N/A LEU 193.A N ASP 191.A OD1 no hydrogen 2.994 N/A ILE 194.A N ASP 191.A O no hydrogen 3.060 N/A CYS 195.A N GLY 46.A O no hydrogen 2.940 N/A ARG 196.A NH1 TYR 188.A O no hydrogen 3.165 N/A ARG 196.A NH1 ASP 191.A O no hydrogen 3.004 N/A LYS 200.A NZ GLU 80.A OE2 no hydrogen 3.262 N/A LYS 200.A NZ ARG 81.A O no hydrogen 2.997 N/A VAL 201.A N LEU 168.A O no hydrogen 3.035 N/A CYS 202.A N PRO 166.A O no hydrogen 2.972 N/A CYS 202.A SG PRO 166.A O no hydrogen 3.440 N/A GLY 204.A N LYS 200.A O no hydrogen 2.747 N/A ILE 205.A N VAL 201.A O no hydrogen 3.061 N/A GLN 206.A N CYS 202.A O no hydrogen 3.328 N/A LEU 207.A N PHE 203.A O no hydrogen 2.884 N/A LEU 208.A N GLY 204.A O no hydrogen 3.090 N/A ASN 209.A N ILE 205.A O no hydrogen 2.921 N/A ASN 209.A ND2 GLN 206.A OE1 no hydrogen 3.043 N/A ALA 210.A N GLN 206.A O no hydrogen 2.855 N/A VAL 211.A N LEU 207.A O no hydrogen 2.950 N/A SER 212.A N LEU 208.A O no hydrogen 3.031 N/A ARG 213.A N ASN 209.A O no hydrogen 3.064 N/A ARG 213.A NH1 ASP 86.A OD2 no hydrogen 3.002 N/A ARG 213.A NH2 ASP 86.A OD1 no hydrogen 3.050 N/A VAL 214.A N ALA 210.A O no hydrogen 2.913 N/A GLU 215.A N VAL 211.A O no hydrogen 3.058 N/A ARG 216.A N SER 212.A O no hydrogen 3.306 N/A ALA 217.A N ARG 213.A O no hydrogen 2.807 N/A LEU 218.A N VAL 214.A O no hydrogen 2.986 N/A LYS 220.A N ALA 217.A O no hydrogen 2.797 N/A LEU 221.A N LEU 218.A O no hydrogen 2.803 N/A PHE 225.A N ASP 252.A O no hydrogen 2.802 N/A LEU 226.A N MET 136.A O no hydrogen 3.078 N/A LEU 227.A N THR 254.A O no hydrogen 2.819 N/A LEU 228.A N LEU 138.A O no hydrogen 2.960 N/A GLN 229.A N LYS 256.A O no hydrogen 2.920 N/A GLN 229.A NE2 GLY 230.A O no hydrogen 3.067 N/A GLN 229.A NE2 ASP 233.A OD2 no hydrogen 3.531 N/A GLN 229.A NE2 CYS 236.A O no hydrogen 2.897 N/A SER 231.A N TYR 258.A O no hydrogen 2.961 N/A ALA 232.A N ALA 261.A O no hydrogen 3.019 N/A LEU 235.A N ASP 233.A OD1 no hydrogen 2.638 N/A CYS 236.A N ASP 233.A OD1 no hydrogen 2.751 N/A CYS 236.A SG SER 140.A O no hydrogen 3.654 N/A CYS 236.A SG PRO 141.A O no hydrogen 3.779 N/A LYS 239.A N ASP 237.A OD1 no hydrogen 3.300 N/A GLY 240.A N ASP 237.A O no hydrogen 2.815 N/A TYR 242.A N SER 238.A O no hydrogen 3.370 N/A LEU 243.A N LYS 239.A O no hydrogen 3.157 N/A LEU 244.A N GLY 240.A O no hydrogen 3.116 N/A MET 245.A N ALA 241.A O no hydrogen 3.115 N/A GLU 246.A N TYR 242.A O no hydrogen 2.935 N/A LEU 247.A N LEU 243.A O no hydrogen 2.786 N/A ALA 248.A N LEU 244.A O no hydrogen 3.134 N/A LYS 249.A N LEU 221.A O no hydrogen 3.041 N/A SER 250.A OG LEU 221.A O no hydrogen 3.290 N/A SER 250.A OG VAL 223.A O no hydrogen 2.647 N/A LYS 253.A NZ MET 245.A O no hydrogen 2.669 N/A LYS 253.A NZ ALA 248.A O no hydrogen 2.822 N/A THR 254.A N PHE 225.A O no hydrogen 2.991 N/A LYS 256.A N LEU 227.A O no hydrogen 2.886 N/A TYR 258.A N GLN 229.A O no hydrogen 2.774 N/A TYR 258.A OH SER 275.A OG no hydrogen 2.921 N/A GLY 260.A N SER 231.A OG no hydrogen 2.671 N/A ALA 261.A N TYR 258.A O no hydrogen 3.123 N/A TYR 262.A N GLU 268.A OE1 no hydrogen 3.092 N/A HIS 263.A ND1 ASP 233.A OD2 no hydrogen 2.627 N/A HIS 263.A NE2 SER 116.A OG no hydrogen 2.712 N/A VAL 264.A N LEU 178.A O no hydrogen 2.803 N/A LYS 267.A N VAL 264.A O no hydrogen 2.878 N/A LYS 267.A NZ ARG 51.A O no hydrogen 2.941 N/A GLU 268.A N THR 273.A OG1 no hydrogen 2.846 N/A LEU 269.A N GLU 268.A OE2 no hydrogen 2.882 N/A THR 273.A N LEU 269.A O no hydrogen 2.980 N/A THR 273.A OG1 LEU 265.A O no hydrogen 3.420 N/A THR 273.A OG1 GLU 268.A O no hydrogen 3.129 N/A THR 273.A OG1 LEU 269.A O no hydrogen 3.348 N/A ASN 274.A N PRO 270.A O no hydrogen 2.812 N/A SER 275.A N GLU 271.A O no hydrogen 3.297 N/A SER 275.A OG TYR 258.A OH no hydrogen 2.921 N/A VAL 276.A N VAL 272.A O no hydrogen 2.793 N/A PHE 277.A N THR 273.A O no hydrogen 3.039 N/A HIS 278.A N ASN 274.A O no hydrogen 3.048 N/A GLU 279.A N SER 275.A O no hydrogen 2.880 N/A ILE 280.A N VAL 276.A O no hydrogen 3.156 N/A ASN 281.A N PHE 277.A O no hydrogen 2.957 N/A MET 282.A N HIS 278.A O no hydrogen 2.878 N/A TRP 283.A N GLU 279.A O no hydrogen 3.013 N/A VAL 284.A N ILE 280.A O no hydrogen 2.954 N/A SER 285.A N ASN 281.A O no hydrogen 2.909 N/A GLN 286.A N MET 282.A O no hydrogen 3.008 N/A GLN 286.A NE2 MET 282.A O no hydrogen 3.690 N/A ARG 287.A N VAL 284.A O no hydrogen 2.974 N/A ARG 287.A NE ASP 252.A OD2 no hydrogen 2.853 N/A ARG 287.A NH1 TRP 283.A O no hydrogen 2.985 N/A ARG 287.A NH2 ASP 252.A OD1 no hydrogen 2.963 N/A ARG 287.A NH2 ASP 252.A OD2 no hydrogen 3.121 N/A THR 288.A N SER 285.A O no hydrogen 3.417 N/A THR 288.A OG1 VAL 284.A O no hydrogen 2.960 N/A ALA 289.A N SER 285.A O no hydrogen 3.317 N/A THR 290.A OG1 GLN 286.A O no hydrogen 2.983 N/A