Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4d9u_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 8.A N HIS 5.A O no hydrogen 3.350 N/A ASP 13.A N GLN 10.A O no hydrogen 3.323 N/A GLY 14.A N PHE 11.A O no hydrogen 2.753 N/A TYR 15.A N PHE 11.A O no hydrogen 3.066 N/A TYR 15.A OH ASP 74.A OD2 no hydrogen 3.131 N/A GLU 16.A N ILE 33.A O no hydrogen 2.757 N/A LYS 18.A N ARG 31.A O no hydrogen 2.865 N/A LYS 18.A NZ GLU 16.A OE2 no hydrogen 2.649 N/A GLU 19.A N GLU 19.A OE1 no hydrogen 2.770 N/A ILE 21.A N CYS 29.A O no hydrogen 2.546 N/A GLY 24.A N SER 27.A O no hydrogen 2.887 N/A VAL 28.A N ILE 45.A O no hydrogen 3.001 N/A CYS 29.A N GLY 22.A O no hydrogen 2.902 N/A LYS 30.A N VAL 43.A O no hydrogen 3.033 N/A LYS 30.A NZ ASP 20.A OD1 no hydrogen 2.549 N/A ARG 31.A N GLU 19.A O no hydrogen 2.806 N/A ARG 31.A NE GLU 19.A OE1 no hydrogen 3.417 N/A ARG 31.A NE GLU 19.A OE2 no hydrogen 2.860 N/A ARG 31.A NH1 GLU 40.A OE2 no hydrogen 2.715 N/A ARG 31.A NH2 GLU 19.A OE1 no hydrogen 3.238 N/A CYS 32.A N PHE 41.A O no hydrogen 2.742 N/A CYS 32.A SG PHE 41.A O no hydrogen 3.659 N/A ILE 33.A N GLU 16.A O no hydrogen 2.909 N/A HIS 34.A N MET 39.A O no hydrogen 2.882 N/A HIS 34.A ND1 THR 37.A OG1 no hydrogen 2.792 N/A LYS 35.A N GLY 14.A O no hydrogen 3.047 N/A LYS 35.A NZ THR 12.A O no hydrogen 3.066 N/A THR 37.A N HIS 34.A O no hydrogen 3.091 N/A THR 37.A OG1 HIS 34.A ND1 no hydrogen 2.792 N/A ASN 38.A N HIS 34.A O no hydrogen 2.753 N/A PHE 41.A N CYS 32.A O no hydrogen 2.769 N/A ALA 42.A N THR 86.A O no hydrogen 3.098 N/A VAL 43.A N LYS 30.A O no hydrogen 2.905 N/A LYS 44.A N VAL 84.A O no hydrogen 3.000 N/A LYS 44.A NZ GLU 56.A OE1 no hydrogen 3.136 N/A LYS 44.A NZ GLU 56.A OE2 no hydrogen 3.137 N/A LYS 44.A NZ ASP 154.A OD1 no hydrogen 2.696 N/A ILE 45.A N VAL 28.A O no hydrogen 2.646 N/A ILE 46.A N VAL 82.A O no hydrogen 2.808 N/A ASP 47.A N TYR 26.A O no hydrogen 3.146 N/A LYS 48.A N LYS 80.A O no hydrogen 2.871 N/A LYS 48.A NZ ASP 77.A OD1 no hydrogen 3.140 N/A LYS 48.A NZ ASP 77.A OD2 no hydrogen 3.034 N/A LYS 48.A NZ GLY 79.A O no hydrogen 3.002 N/A SER 49.A N ASP 47.A OD1 no hydrogen 3.116 N/A SER 49.A OG ASP 47.A OD1 no hydrogen 2.876 N/A SER 49.A OG ASP 47.A OD2 no hydrogen 3.159 N/A LYS 50.A N ASP 47.A O no hydrogen 3.216 N/A LYS 50.A NZ SER 25.A O no hydrogen 2.853 N/A ARG 51.A N ASP 47.A O no hydrogen 3.049 N/A ARG 51.A NH1 GLU 56.A OE1 no hydrogen 3.328 N/A ARG 51.A NH2 GLU 56.A OE1 no hydrogen 2.739 N/A THR 54.A OG1 ASP 52.A OD1 no hydrogen 2.887 N/A ILE 57.A N PRO 53.A O no hydrogen 2.997 N/A GLU 58.A N THR 54.A O no hydrogen 3.006 N/A ILE 59.A N GLU 55.A O no hydrogen 3.131 N/A LEU 60.A N GLU 56.A O no hydrogen 2.921 N/A LEU 61.A N ILE 57.A O no hydrogen 2.795 N/A ARG 62.A N GLU 58.A O no hydrogen 2.786 N/A TYR 63.A N ILE 59.A O no hydrogen 2.878 N/A TYR 63.A OH GLN 160.A OE1 no hydrogen 2.933 N/A GLY 64.A N LEU 60.A O no hydrogen 2.886 N/A HIS 66.A N TYR 63.A O no hydrogen 2.891 N/A ASN 68.A N HIS 66.A ND1 no hydrogen 2.995 N/A ASN 68.A ND2 ILE 150.A O no hydrogen 3.201 N/A ILE 69.A N HIS 66.A O no hydrogen 3.046 N/A ILE 70.A N ILE 152.A O no hydrogen 2.953 N/A THR 71.A N GLU 87.A OE2 no hydrogen 3.096 N/A THR 71.A OG1 GLY 64.A O no hydrogen 3.236 N/A THR 71.A OG1 ILE 69.A O no hydrogen 3.471 N/A THR 71.A OG1 GLU 87.A OE2 no hydrogen 3.013 N/A LYS 73.A N VAL 85.A O no hydrogen 2.693 N/A ASP 74.A N VAL 85.A O no hydrogen 3.332 N/A VAL 75.A N ASP 74.A OD1 no hydrogen 2.863 N/A TYR 76.A N TYR 83.A O no hydrogen 2.967 N/A TYR 76.A OH ASP 74.A OD2 no hydrogen 2.689 N/A GLY 79.A N ASP 77.A OD1 no hydrogen 2.868 N/A LYS 80.A N ASP 78.A OD1 no hydrogen 3.010 N/A TYR 81.A N ASP 78.A OD1 no hydrogen 3.133 N/A VAL 82.A N ILE 46.A O no hydrogen 3.065 N/A TYR 83.A N TYR 76.A O no hydrogen 2.923 N/A TYR 83.A OH ASP 78.A OD2 no hydrogen 2.967 N/A VAL 84.A N LYS 44.A O no hydrogen 2.876 N/A VAL 85.A N ASP 74.A O no hydrogen 3.123 N/A THR 86.A N ALA 42.A O no hydrogen 2.822 N/A THR 86.A OG1 GLU 87.A O no hydrogen 3.143 N/A GLU 87.A N THR 71.A O no hydrogen 3.296 N/A LYS 90.A N VAL 141.A O no hydrogen 2.759 N/A LYS 90.A NZ GLU 40.A OE1 no hydrogen 2.756 N/A GLY 91.A N TYR 140.A O no hydrogen 2.876 N/A LEU 94.A N ILE 138.A O no hydrogen 3.161 N/A LYS 97.A N GLU 93.A O no hydrogen 3.121 N/A LYS 97.A NZ GLY 91.A O no hydrogen 3.481 N/A ILE 98.A N LEU 94.A O no hydrogen 2.983 N/A LEU 99.A N LEU 95.A O no hydrogen 2.832 N/A ARG 100.A N ASP 96.A O no hydrogen 3.159 N/A ARG 100.A NE ASP 96.A OD1 no hydrogen 3.340 N/A ARG 100.A NE ASP 96.A OD2 no hydrogen 3.183 N/A GLN 101.A N ILE 98.A O no hydrogen 2.938 N/A PHE 104.A N GLN 101.A O no hydrogen 3.137 N/A ARG 107.A N PRO 279.A O no hydrogen 3.300 N/A ARG 107.A NE LEU 278.A O no hydrogen 3.221 N/A ARG 107.A NH2 LEU 278.A O no hydrogen 2.974 N/A GLU 108.A N SER 105.A OG no hydrogen 3.170 N/A ALA 109.A N SER 105.A O no hydrogen 3.078 N/A SER 110.A N GLU 106.A O no hydrogen 2.941 N/A SER 110.A OG TRP 271.A O no hydrogen 2.684 N/A ALA 111.A N ARG 107.A O no hydrogen 3.250 N/A VAL 112.A N GLU 108.A O no hydrogen 3.036 N/A LEU 113.A N ALA 109.A O no hydrogen 3.020 N/A PHE 114.A N SER 110.A O no hydrogen 2.787 N/A THR 115.A N ALA 111.A O no hydrogen 3.102 N/A THR 115.A OG1 ALA 111.A O no hydrogen 3.076 N/A ILE 116.A N VAL 112.A O no hydrogen 3.054 N/A THR 117.A N LEU 113.A O no hydrogen 2.729 N/A THR 117.A OG1 LEU 113.A O no hydrogen 2.698 N/A LYS 118.A N PHE 114.A O no hydrogen 2.806 N/A THR 119.A N THR 115.A O no hydrogen 3.284 N/A THR 119.A OG1 THR 115.A O no hydrogen 3.079 N/A VAL 120.A N ILE 116.A O no hydrogen 3.096 N/A GLU 121.A N THR 117.A O no hydrogen 2.769 N/A TYR 122.A N LYS 118.A O no hydrogen 3.181 N/A LEU 123.A N THR 119.A O no hydrogen 3.153 N/A HIS 124.A N VAL 120.A O no hydrogen 2.976 N/A HIS 124.A NE2 ASP 193.A OD2 no hydrogen 2.950 N/A ALA 125.A N GLU 121.A O no hydrogen 3.072 N/A GLN 126.A N TYR 122.A O no hydrogen 3.089 N/A GLN 126.A N LEU 123.A O no hydrogen 3.065 N/A GLY 127.A N HIS 124.A O no hydrogen 2.863 N/A VAL 128.A N LEU 123.A O no hydrogen 2.743 N/A VAL 129.A N LYS 159.A O no hydrogen 3.025 N/A HIS 130.A N ASP 193.A OD2 no hydrogen 2.993 N/A ARG 131.A N ASP 193.A OD1 no hydrogen 3.011 N/A ARG 131.A NH2 GLN 307.A OE1 no hydrogen 2.790 N/A LYS 134.A N ASP 132.A O no hydrogen 2.664 N/A ASN 137.A N LYS 134.A O no hydrogen 2.976 N/A ASN 137.A ND2 ASP 132.A O no hydrogen 2.918 N/A ASN 137.A ND2 ASP 132.A OD2 no hydrogen 3.383 N/A ILE 138.A N PRO 135.A O no hydrogen 3.209 N/A LEU 139.A N ARG 151.A O no hydrogen 2.802 N/A TYR 140.A N GLY 92.A O no hydrogen 3.076 N/A VAL 141.A N SER 149.A O no hydrogen 2.864 N/A SER 144.A N ASP 142.A OD1 no hydrogen 2.651 N/A SER 144.A OG ASP 142.A OD1 no hydrogen 2.749 N/A ASN 146.A N SER 144.A OG no hydrogen 3.155 N/A SER 149.A N ASN 146.A O no hydrogen 3.125 N/A SER 149.A OG ASN 146.A O no hydrogen 2.614 N/A ILE 150.A N PRO 147.A O no hydrogen 2.874 N/A ARG 151.A N LEU 139.A O no hydrogen 2.689 N/A ARG 151.A NE GLU 87.A OE2 no hydrogen 3.185 N/A ARG 151.A NH1 GLU 148.A O no hydrogen 2.888 N/A ARG 151.A NH1 ILE 150.A O no hydrogen 3.060 N/A ILE 152.A N ASN 68.A O no hydrogen 3.084 N/A CYS 153.A N ASN 137.A O no hydrogen 2.796 N/A CYS 153.A SG ARG 151.A O no hydrogen 3.613 N/A GLY 156.A N ASP 154.A OD2 no hydrogen 3.057 N/A ALA 158.A N PHE 155.A O no hydrogen 3.201 N/A LYS 159.A N VAL 129.A O no hydrogen 2.802 N/A GLN 160.A N GLU 55.A OE2 no hydrogen 2.852 N/A LEU 161.A N GLY 127.A O no hydrogen 2.896 N/A ARG 162.A NH1 GLY 166.A O no hydrogen 3.172 N/A ARG 162.A NH2 GLU 58.A OE1 no hydrogen 3.473 N/A ALA 163.A N LEU 167.A O no hydrogen 2.858 N/A GLY 166.A N ALA 163.A O no hydrogen 2.508 N/A MET 169.A N LEU 161.A O no hydrogen 2.948 N/A ARG 185.A N GLU 181.A O no hydrogen 3.147 N/A GLN 186.A N VAL 182.A O no hydrogen 3.025 N/A GLN 186.A NE2 GLY 127.A O no hydrogen 2.731 N/A GLY 187.A N LEU 183.A O no hydrogen 3.002 N/A TYR 188.A N GLU 184.A O no hydrogen 2.837 N/A TYR 188.A N ARG 185.A O no hydrogen 3.241 N/A ASP 189.A N ARG 185.A O no hydrogen 2.943 N/A ALA 190.A N GLN 186.A O no hydrogen 3.020 N/A CYS 192.A N TYR 188.A O no hydrogen 2.969 N/A CYS 192.A SG TYR 188.A O no hydrogen 3.275 N/A ASP 193.A N ASP 189.A O no hydrogen 3.000 N/A ILE 194.A N ALA 190.A O no hydrogen 3.207 N/A TRP 195.A N ALA 191.A O no hydrogen 3.021 N/A SER 196.A N CYS 192.A O no hydrogen 2.954 N/A SER 196.A OG CYS 192.A O no hydrogen 3.460 N/A SER 196.A OG TYR 300.A OH no hydrogen 2.963 N/A LEU 197.A N ASP 193.A O no hydrogen 3.322 N/A GLY 198.A N ILE 194.A O no hydrogen 2.802 N/A VAL 199.A N TRP 195.A O no hydrogen 2.889 N/A LEU 200.A N SER 196.A O no hydrogen 2.989 N/A LEU 201.A N LEU 197.A O no hydrogen 2.934 N/A TYR 202.A N GLY 198.A O no hydrogen 2.861 N/A TYR 202.A OH SER 232.A O no hydrogen 2.730 N/A THR 203.A N VAL 199.A O no hydrogen 3.197 N/A THR 203.A OG1 VAL 199.A O no hydrogen 2.979 N/A THR 203.A OG1 TYR 208.A O no hydrogen 3.552 N/A MET 204.A N LEU 200.A O no hydrogen 3.074 N/A LEU 205.A N LEU 201.A O no hydrogen 3.111 N/A THR 206.A N TYR 202.A O no hydrogen 3.303 N/A THR 206.A OG1 TYR 202.A O no hydrogen 3.019 N/A GLY 207.A N THR 203.A O no hydrogen 2.945 N/A THR 209.A OG1 ALA 212.A O no hydrogen 2.590 N/A ASN 213.A N ASP 217.A OD2 no hydrogen 2.647 N/A ASP 217.A N GLY 214.A O no hydrogen 3.420 N/A THR 218.A N GLU 221.A OE2 no hydrogen 2.868 N/A THR 218.A OG1 GLU 221.A OE2 no hydrogen 3.300 N/A GLU 220.A N GLU 220.A OE1 no hydrogen 2.994 N/A GLU 221.A N THR 218.A OG1 no hydrogen 3.358 N/A ILE 222.A N THR 218.A O no hydrogen 3.284 N/A LEU 223.A N PRO 219.A O no hydrogen 3.006 N/A ALA 224.A N GLU 220.A O no hydrogen 2.966 N/A ARG 225.A N GLU 221.A O no hydrogen 3.145 N/A ARG 225.A NH1 PHE 211.A O no hydrogen 2.899 N/A ARG 225.A NH1 ASP 217.A OD2 no hydrogen 2.908 N/A ILE 226.A N ILE 222.A O no hydrogen 2.956 N/A GLY 227.A N LEU 223.A O no hydrogen 2.825 N/A SER 228.A N ARG 225.A O no hydrogen 2.986 N/A SER 228.A OG ARG 225.A O no hydrogen 2.863 N/A LYS 230.A N SER 228.A OG no hydrogen 2.901 N/A SER 234.A N SER 232.A OG no hydrogen 3.354 N/A TRP 238.A N GLY 235.A O no hydrogen 2.922 N/A TRP 238.A NE1 TYR 202.A OH no hydrogen 3.179 N/A SER 240.A OG TYR 237.A O no hydrogen 3.362 N/A VAL 241.A N TRP 238.A O no hydrogen 3.141 N/A SER 242.A N GLU 106.A OE2 no hydrogen 2.747 N/A SER 242.A OG GLU 106.A OE1 no hydrogen 2.672 N/A SER 242.A OG GLU 106.A OE2 no hydrogen 3.298 N/A LYS 246.A N SER 242.A O no hydrogen 3.312 N/A LYS 246.A NZ LEU 233.A O no hydrogen 3.305 N/A LYS 246.A NZ TRP 238.A O no hydrogen 2.923 N/A ASP 247.A N ASP 243.A O no hydrogen 2.987 N/A LEU 248.A N THR 244.A O no hydrogen 3.218 N/A VAL 249.A N ALA 245.A O no hydrogen 3.108 N/A SER 250.A N LYS 246.A O no hydrogen 3.029 N/A SER 250.A OG ASP 247.A O no hydrogen 2.539 N/A LYS 251.A N ASP 247.A O no hydrogen 3.170 N/A LYS 251.A NZ ASP 247.A OD1 no hydrogen 3.462 N/A LYS 251.A NZ ASP 247.A OD2 no hydrogen 2.850 N/A MET 252.A N LEU 248.A O no hydrogen 2.973 N/A LEU 253.A N VAL 249.A O no hydrogen 3.036 N/A ASP 256.A N HIS 254.A ND1 no hydrogen 3.017 N/A HIS 258.A N ASP 256.A OD1 no hydrogen 2.894 N/A GLN 259.A N ASP 256.A O no hydrogen 2.797 N/A ARG 260.A N ASP 256.A O no hydrogen 2.902 N/A ARG 260.A NE HIS 254.A O no hydrogen 2.842 N/A ARG 260.A NH1 ALA 191.A O no hydrogen 3.145 N/A ARG 260.A NH2 HIS 254.A O no hydrogen 3.070 N/A LEU 261.A N LYS 251.A O no hydrogen 3.148 N/A LEU 265.A N THR 262.A OG1 no hydrogen 2.962 N/A VAL 266.A N THR 262.A O no hydrogen 2.777 N/A LEU 267.A N ALA 263.A O no hydrogen 3.142 N/A ARG 268.A N LEU 265.A O no hydrogen 3.017 N/A HIS 269.A N VAL 266.A O no hydrogen 3.188 N/A HIS 269.A NE2 ASP 247.A OD2 no hydrogen 3.188 N/A TRP 271.A N HIS 269.A ND1 no hydrogen 2.977 N/A TRP 271.A NE1 GLU 106.A OE1 no hydrogen 3.071 N/A ILE 272.A N HIS 269.A O no hydrogen 2.893 N/A VAL 273.A N HIS 269.A O no hydrogen 2.849 N/A HIS 274.A N PRO 270.A O no hydrogen 2.826 N/A GLN 277.A N HIS 274.A O no hydrogen 2.891 N/A LEU 278.A N TRP 275.A O no hydrogen 2.874 N/A GLN 282.A NE2 LYS 102.A O no hydrogen 3.033 N/A LEU 283.A N PHE 104.A O no hydrogen 3.192 N/A ASN 284.A N SER 240.A OG no hydrogen 3.384 N/A ARG 285.A NH1 ILE 98.A O no hydrogen 3.498 N/A ARG 285.A NH1 MET 204.A O no hydrogen 2.911 N/A ARG 285.A NH2 ILE 98.A O no hydrogen 2.876 N/A GLN 286.A N THR 206.A O no hydrogen 2.970 N/A GLN 286.A NE2 GLY 207.A O no hydrogen 2.908 N/A VAL 292.A N ALA 288.A O no hydrogen 2.962 N/A LYS 293.A N PRO 289.A O no hydrogen 2.999 N/A GLY 294.A N HIS 290.A O no hydrogen 3.204 N/A ALA 295.A N LEU 291.A O no hydrogen 2.968 N/A MET 296.A N VAL 292.A O no hydrogen 2.797 N/A ALA 297.A N LYS 293.A O no hydrogen 2.928 N/A ALA 298.A N GLY 294.A O no hydrogen 2.829 N/A THR 299.A N ALA 295.A O no hydrogen 2.778 N/A THR 299.A OG1 ALA 295.A O no hydrogen 2.747 N/A TYR 300.A N MET 296.A O no hydrogen 3.073 N/A TYR 300.A OH SER 196.A OG no hydrogen 2.963 N/A SER 301.A N ALA 297.A O no hydrogen 2.851 N/A ALA 302.A N ALA 298.A O no hydrogen 3.062 N/A LEU 303.A N THR 299.A O no hydrogen 3.205 N/A ASN 304.A N TYR 300.A O no hydrogen 2.812 N/A ARG 305.A NH1 ALA 302.A O no hydrogen 2.757 N/A