Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4auk_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N PRO 49.A O no hydrogen 2.992 N/A LYS 3.A NZ GLU 75.A OE1 no hydrogen 3.444 N/A LYS 3.A NZ GLU 75.A OE2 no hydrogen 2.715 N/A VAL 4.A N TYR 44.A O no hydrogen 2.923 N/A VAL 5.A N PHE 71.A O no hydrogen 2.886 N/A LEU 6.A N VAL 42.A O no hydrogen 2.775 N/A LEU 7.A N GLN 69.A O no hydrogen 2.979 N/A CYS 8.A N GLY 40.A O no hydrogen 3.086 N/A CYS 8.A SG ARG 9.A O no hydrogen 3.712 N/A ARG 9.A NH1 TYR 340.A O no hydrogen 3.366 N/A GLY 11.A N GLU 13.A OE1 no hydrogen 3.044 N/A GLY 11.A N GLU 13.A OE2 no hydrogen 2.876 N/A PHE 12.A N ARG 9.A O no hydrogen 2.927 N/A GLU 15.A N GLU 15.A OE1 no hydrogen 2.851 N/A CYS 16.A N PHE 12.A O no hydrogen 3.035 N/A ALA 17.A N GLU 13.A O no hydrogen 2.790 N/A ALA 18.A N LYS 14.A O no hydrogen 2.989 N/A GLU 19.A N GLU 15.A O no hydrogen 2.912 N/A ILE 20.A N CYS 16.A O no hydrogen 2.942 N/A THR 21.A N ALA 17.A O no hydrogen 3.089 N/A THR 21.A OG1 ALA 17.A O no hydrogen 2.787 N/A ASP 22.A N ALA 18.A O no hydrogen 2.899 N/A LYS 23.A N GLU 19.A O no hydrogen 2.947 N/A LYS 23.A NZ GLU 19.A OE2 no hydrogen 2.568 N/A LYS 23.A NZ SER 63.A O no hydrogen 2.828 N/A ALA 24.A N ILE 20.A O no hydrogen 2.867 N/A GLY 25.A N THR 21.A O no hydrogen 2.918 N/A GLN 26.A N ASP 22.A O no hydrogen 2.980 N/A GLN 26.A NE2 ASP 22.A OD1 no hydrogen 3.231 N/A ARG 27.A N ALA 24.A O no hydrogen 2.873 N/A GLU 28.A N GLY 25.A O no hydrogen 2.763 N/A ILE 29.A N ALA 24.A O no hydrogen 2.948 N/A PHE 32.A N GLU 45.A O no hydrogen 2.889 N/A ASN 38.A N GLU 13.A OE1 no hydrogen 2.895 N/A ALA 39.A N LYS 36.A O no hydrogen 3.142 N/A GLY 40.A N GLU 13.A OE2 no hydrogen 2.882 N/A VAL 42.A N LEU 6.A O no hydrogen 2.903 N/A TYR 44.A N VAL 4.A O no hydrogen 2.843 N/A TYR 44.A OH ILE 29.A O no hydrogen 2.845 N/A GLU 45.A N PHE 32.A O no hydrogen 2.791 N/A CYS 46.A N ASN 2.A O no hydrogen 2.717 N/A CYS 46.A SG ASN 2.A O no hydrogen 3.728 N/A TYR 47.A N PHE 30.A O no hydrogen 2.962 N/A ASP 51.A N GLN 48.A O no hydrogen 3.073 N/A GLY 52.A N MET 1.A O no hydrogen 3.091 N/A LEU 55.A N ASP 51.A O no hydrogen 2.868 N/A ILE 56.A N GLY 52.A O no hydrogen 3.298 N/A ARG 57.A N ASP 53.A O no hydrogen 3.119 N/A ARG 57.A N LYS 54.A O no hydrogen 3.188 N/A ARG 57.A NE ASP 53.A OD2 no hydrogen 2.892 N/A ARG 57.A NH2 TYR 163.A OH no hydrogen 2.923 N/A GLU 58.A N LYS 54.A O no hydrogen 2.736 N/A LEU 59.A N LEU 55.A O no hydrogen 3.076 N/A PHE 61.A N ASN 166.A OD1 no hydrogen 2.788 N/A SER 63.A N PRO 60.A O no hydrogen 2.953 N/A SER 63.A OG PRO 60.A O no hydrogen 2.690 N/A LEU 64.A N PHE 61.A O no hydrogen 3.059 N/A ILE 65.A N GLU 19.A OE1 no hydrogen 3.177 N/A ILE 65.A N GLU 19.A OE2 no hydrogen 2.744 N/A PHE 66.A N GLU 19.A OE1 no hydrogen 2.877 N/A ARG 68.A N LEU 7.A O no hydrogen 2.718 N/A ARG 68.A NH1 ASP 109.A OD2 no hydrogen 2.852 N/A GLN 69.A NE2 SER 168.A O no hydrogen 2.952 N/A TRP 70.A N GLN 69.A OE1 no hydrogen 2.804 N/A TRP 70.A NE1 ASN 166.A O no hydrogen 3.016 N/A PHE 71.A N VAL 5.A O no hydrogen 3.083 N/A VAL 72.A N TYR 161.A O no hydrogen 3.000 N/A VAL 73.A N LYS 3.A O no hydrogen 2.830 N/A GLY 74.A N THR 159.A O no hydrogen 2.999 N/A LEU 77.A N CYS 157.A O no hydrogen 2.862 N/A LEU 80.A N GLY 156.A O no hydrogen 3.173 N/A GLU 83.A N GLU 83.A OE1.A no hydrogen 3.127 N/A GLU 83.A N GLU 83.A OE1.B no hydrogen 2.617 N/A ASP 84.A N PRO 81.A O no hydrogen 2.702 N/A THR 87.A N ASP 84.A OD1 no hydrogen 2.986 N/A THR 87.A OG1 ASP 84.A OD1 no hydrogen 3.410 N/A THR 87.A OG1 ASP 84.A OD2 no hydrogen 2.503 N/A VAL 90.A N ILE 86.A O no hydrogen 2.958 N/A GLY 91.A N THR 87.A O no hydrogen 2.765 N/A MET 92.A N PRO 88.A O no hydrogen 3.023 N/A MET 92.A N ILE 89.A O no hydrogen 3.123 N/A LEU 93.A N ILE 89.A O no hydrogen 3.124 N/A GLN 94.A N VAL 90.A O no hydrogen 2.877 N/A VAL 96.A N LEU 93.A O no hydrogen 2.798 N/A VAL 97.A N LEU 93.A O no hydrogen 3.318 N/A LYS 99.A N GLY 135.A O no hydrogen 2.859 N/A GLY 100.A N VAL 136.A O no hydrogen 2.793 N/A GLY 101.A N PRO 146.A O no hydrogen 2.784 N/A ARG 104.A N VAL 148.A O no hydrogen 2.879 N/A ARG 104.A NE GLU 102.A OE2 no hydrogen 2.848 N/A ARG 104.A NH1 SER 168.A O no hydrogen 2.877 N/A ARG 104.A NH2 GLU 102.A OE1 no hydrogen 2.921 N/A GLU 106.A N VAL 150.A O no hydrogen 2.989 N/A THR 110.A N ALA 108.A O no hydrogen 2.925 N/A GLU 112.A N GLU 112.A OE1 no hydrogen 2.640 N/A SER 113.A N THR 110.A OG1 no hydrogen 3.111 N/A LYS 114.A N ASN 111.A O no hydrogen 3.196 N/A LEU 117.A N SER 113.A O no hydrogen 2.726 N/A LYS 118.A N LYS 114.A O no hydrogen 3.346 N/A PHE 119.A N GLU 115.A O no hydrogen 3.205 N/A CYS 120.A N LEU 116.A O no hydrogen 2.950 N/A CYS 120.A SG GLU 106.A O no hydrogen 3.904 N/A CYS 120.A SG LEU 116.A O no hydrogen 3.480 N/A ARG 121.A N LEU 117.A O no hydrogen 3.178 N/A LYS 122.A N LYS 118.A O no hydrogen 3.113 N/A PHE 123.A N PHE 119.A O no hydrogen 2.910 N/A THR 124.A N ARG 121.A O no hydrogen 3.454 N/A THR 124.A OG1 CYS 120.A O no hydrogen 2.784 N/A LEU 127.A N PHE 123.A O no hydrogen 3.029 N/A ARG 128.A N THR 124.A O no hydrogen 2.790 N/A ALA 129.A N VAL 125.A O no hydrogen 2.914 N/A ALA 130.A N PRO 126.A O no hydrogen 3.160 N/A LEU 131.A N LEU 127.A O no hydrogen 2.807 N/A ARG 132.A N ARG 128.A O no hydrogen 2.864 N/A ARG 132.A NE ALA 138.A O no hydrogen 3.034 N/A ASP 133.A N ALA 129.A O no hydrogen 2.963 N/A ALA 134.A N ALA 130.A O no hydrogen 3.045 N/A GLY 135.A N ARG 132.A O no hydrogen 2.982 N/A LEU 137.A N LEU 131.A O no hydrogen 3.268 N/A ALA 138.A N GLY 100.A O no hydrogen 2.807 N/A THR 142.A N GLY 101.A O no hydrogen 3.117 N/A LYS 144.A N THR 142.A OG1 no hydrogen 3.096 N/A ARG 145.A NE LYS 99.A O no hydrogen 2.879 N/A ARG 145.A NH2 GLU 98.A O no hydrogen 2.841 N/A VAL 147.A N SER 162.A O no hydrogen 2.920 N/A VAL 148.A N GLU 102.A O no hydrogen 2.796 N/A HIS 149.A N GLY 160.A O no hydrogen 2.859 N/A HIS 149.A ND1 GLU 106.A OE1 no hydrogen 2.770 N/A HIS 149.A NE2 SER 162.A OG no hydrogen 2.813 N/A VAL 150.A N ARG 104.A O no hydrogen 3.081 N/A PHE 151.A N TYR 158.A O no hydrogen 2.848 N/A PHE 152.A N GLU 106.A O no hydrogen 2.993 N/A TYR 158.A N PHE 151.A O no hydrogen 2.895 N/A GLY 160.A N HIS 149.A O no hydrogen 2.972 N/A TYR 161.A N VAL 72.A O no hydrogen 3.058 N/A TYR 161.A OH ASP 53.A OD1 no hydrogen 2.439 N/A SER 162.A N VAL 147.A O no hydrogen 2.929 N/A SER 162.A OG HIS 149.A NE2 no hydrogen 2.813 N/A TYR 163.A OH ASP 53.A OD1 no hydrogen 2.675 N/A SER 164.A OG PRO 143.A O no hydrogen 2.461 N/A SER 164.A OG ARG 145.A O no hydrogen 3.553 N/A ASN 166.A N TYR 163.A O no hydrogen 2.890 N/A ASN 166.A ND2 ILE 56.A O no hydrogen 2.836 N/A ASN 166.A ND2 LEU 59.A O no hydrogen 2.969 N/A ASN 167.A ND2 SER 162.A OG no hydrogen 2.849 N/A SER 168.A N GLN 69.A OE1 no hydrogen 2.925 N/A PHE 170.A N SER 168.A OG no hydrogen 3.085 N/A TYR 171.A OH VAL 105.A O no hydrogen 2.608 N/A MET 172.A N GLU 106.A OE2 no hydrogen 2.750 N/A GLY 173.A N PHE 170.A O no hydrogen 2.756 N/A ILE 174.A N TYR 171.A O no hydrogen 2.930 N/A ARG 176.A NH1 TYR 340.A OH no hydrogen 3.397 N/A ALA 183.A N PRO 180.A O no hydrogen 3.044 N/A SER 185.A OG SER 187.A OG no hydrogen 3.128 N/A SER 187.A N SER 185.A OG no hydrogen 3.016 N/A SER 187.A OG SER 185.A OG no hydrogen 3.128 N/A THR 188.A N SER 185.A O no hydrogen 3.242 N/A THR 188.A OG1 GLY 222.A O no hydrogen 2.748 N/A LEU 189.A N ARG 186.A O no hydrogen 3.078 N/A LYS 190.A N SER 187.A O no hydrogen 2.981 N/A LYS 190.A NZ ASP 275.A OD1 no hydrogen 3.269 N/A LYS 190.A NZ ASP 275.A OD2 no hydrogen 2.849 N/A GLU 192.A N THR 188.A O no hydrogen 3.054 N/A GLU 193.A N LEU 189.A O no hydrogen 2.796 N/A ALA 194.A N LYS 190.A O no hydrogen 2.828 N/A PHE 195.A N LEU 191.A O no hydrogen 2.956 N/A HIS 196.A N GLU 192.A O no hydrogen 3.110 N/A VAL 197.A N GLU 193.A O no hydrogen 2.824 N/A PHE 198.A N ALA 194.A O no hydrogen 2.788 N/A ILE 199.A N PHE 195.A O no hydrogen 3.043 N/A GLU 203.A N PRO 200.A O no hydrogen 2.776 N/A TRP 204.A N ALA 201.A O no hydrogen 3.325 N/A TRP 204.A NE1 ILE 199.A O no hydrogen 2.901 N/A GLU 206.A N GLU 203.A O no hydrogen 3.190 N/A ARG 207.A N GLU 203.A O no hydrogen 2.881 N/A ARG 207.A NE GLU 298.A OE2 no hydrogen 2.938 N/A ARG 207.A NH1 GLU 203.A OE1 no hydrogen 3.068 N/A ARG 207.A NH2 GLU 298.A OE1 no hydrogen 2.873 N/A LEU 208.A N TRP 204.A O no hydrogen 2.699 N/A GLY 211.A N ASN 231.A O no hydrogen 2.844 N/A MET 212.A N ALA 209.A O no hydrogen 3.075 N/A ALA 214.A N TRP 233.A O no hydrogen 2.938 N/A VAL 215.A N TRP 271.A O no hydrogen 2.841 N/A ASP 216.A N TYR 235.A O no hydrogen 2.870 N/A LEU 217.A N VAL 273.A O no hydrogen 2.992 N/A GLY 218.A N VAL 237.A O no hydrogen 2.781 N/A ALA 219.A N VAL 237.A O no hydrogen 3.079 N/A TRP 223.A NE1 SER 187.A O no hydrogen 2.964 N/A THR 224.A OG1 ASP 216.A OD2 no hydrogen 2.716 N/A THR 224.A OG1 SER 236.A OG no hydrogen 2.895 N/A TYR 225.A N GLY 221.A O no hydrogen 2.967 N/A TYR 225.A OH ASP 182.A OD1 no hydrogen 2.678 N/A GLN 226.A NE2 THR 188.A OG1 no hydrogen 2.878 N/A LEU 227.A N TRP 223.A O no hydrogen 3.326 N/A VAL 228.A N THR 224.A O no hydrogen 2.878 N/A LYS 229.A N TYR 225.A O no hydrogen 2.976 N/A ARG 230.A N GLN 226.A O no hydrogen 3.294 N/A ARG 230.A N LEU 227.A O no hydrogen 3.012 N/A ARG 230.A NE LEU 208.A O no hydrogen 2.901 N/A ARG 230.A NH2 ASP 205.A OD1 no hydrogen 2.752 N/A ARG 230.A NH2 LEU 208.A O no hydrogen 3.128 N/A ASN 231.A N VAL 228.A O no hydrogen 2.731 N/A MET 232.A N LEU 227.A O no hydrogen 3.256 N/A TRP 233.A N MET 212.A O no hydrogen 2.879 N/A VAL 234.A N GLN 251.A O no hydrogen 2.855 N/A TYR 235.A N ALA 214.A O no hydrogen 2.902 N/A TYR 235.A OH SER 267.A OG no hydrogen 2.813 N/A SER 236.A N THR 253.A O no hydrogen 2.931 N/A SER 236.A OG THR 224.A OG1 no hydrogen 2.895 N/A VAL 237.A N ASP 216.A O no hydrogen 2.856 N/A ASP 238.A N LEU 255.A O no hydrogen 2.989 N/A GLY 240.A N ASP 238.A OD1 no hydrogen 2.708 N/A ALA 243.A N PRO 220.A O no hydrogen 2.962 N/A GLN 244.A NE2 ASP 248.A OD1 no hydrogen 2.451 N/A LEU 246.A N ALA 243.A O no hydrogen 2.993 N/A MET 247.A N ALA 243.A O no hydrogen 3.432 N/A ASP 248.A N GLN 244.A O no hydrogen 2.987 N/A THR 249.A N LEU 246.A O no hydrogen 3.074 N/A THR 249.A OG1 LEU 246.A O no hydrogen 2.600 N/A GLY 250.A N MET 247.A O no hydrogen 3.151 N/A GLN 251.A N THR 249.A OG1 no hydrogen 3.129 N/A GLN 251.A NE2 VAL 228.A O no hydrogen 3.053 N/A GLN 251.A NE2 MET 232.A O no hydrogen 2.924 N/A THR 253.A N VAL 234.A O no hydrogen 2.901 N/A TRP 254.A NE1 ASP 238.A O no hydrogen 2.734 N/A LEU 255.A N SER 236.A O no hydrogen 2.890 N/A GLU 257.A N LEU 255.A O no hydrogen 2.950 N/A PHE 260.A N ASP 258.A OD2 no hydrogen 2.850 N/A LYS 261.A N ASP 258.A O no hydrogen 3.056 N/A PHE 262.A N ASP 258.A O no hydrogen 2.985 N/A SER 267.A OG TYR 235.A OH no hydrogen 2.813 N/A SER 270.A N TRP 213.A O no hydrogen 2.855 N/A TRP 271.A N TRP 213.A O no hydrogen 3.215 N/A TRP 271.A NE1 ARG 207.A O no hydrogen 2.812 N/A MET 272.A N GLU 298.A O no hydrogen 3.097 N/A VAL 273.A N VAL 215.A O no hydrogen 2.982 N/A CYS 274.A N ILE 300.A O no hydrogen 3.196 N/A LYS 282.A NZ GLU 278.A OE1 no hydrogen 3.238 N/A VAL 283.A N LYS 279.A O no hydrogen 3.031 N/A ALA 284.A N PRO 280.A O no hydrogen 2.754 N/A ALA 285.A N ALA 281.A O no hydrogen 2.920 N/A LEU 286.A N LYS 282.A O no hydrogen 3.156 N/A MET 287.A N VAL 283.A O no hydrogen 2.861 N/A ALA 288.A N ALA 284.A O no hydrogen 2.904 N/A GLN 289.A N ALA 285.A O no hydrogen 3.040 N/A TRP 290.A N LEU 286.A O no hydrogen 3.036 N/A LEU 291.A N MET 287.A O no hydrogen 2.993 N/A VAL 292.A N ALA 288.A O no hydrogen 2.864 N/A ASN 293.A N GLN 289.A O no hydrogen 2.942 N/A GLY 294.A N LEU 291.A O no hydrogen 3.134 N/A TRP 295.A N TRP 290.A O no hydrogen 3.015 N/A CYS 296.A SG GLU 298.A O no hydrogen 3.784 N/A ARG 297.A N SER 270.A O no hydrogen 2.914 N/A GLU 298.A N SER 270.A O no hydrogen 2.997 N/A THR 299.A N VAL 350.A O no hydrogen 2.934 N/A THR 299.A OG1 MET 272.A O no hydrogen 2.898 N/A ILE 300.A N MET 272.A O no hydrogen 3.176 N/A PHE 301.A N VAL 348.A O no hydrogen 2.979 N/A ASN 302.A N CYS 274.A O no hydrogen 3.060 N/A ASN 302.A ND2 ASP 342.A OD1 no hydrogen 3.067 N/A LEU 303.A N VAL 346.A O no hydrogen 2.911 N/A LYS 304.A NZ ASP 275.A OD1 no hydrogen 3.453 N/A LYS 304.A NZ MET 276.A O no hydrogen 3.120 N/A LEU 305.A N GLU 344.A O no hydrogen 2.887 N/A ARG 310.A NE GLU 15.A OE2 no hydrogen 2.790 N/A ARG 310.A NH2 GLU 15.A OE1 no hydrogen 3.492 N/A ARG 310.A NH2 GLU 15.A OE2 no hydrogen 3.202 N/A TYR 311.A OH ASP 22.A OD2 no hydrogen 2.708 N/A GLU 312.A N GLU 312.A OE1 no hydrogen 2.685 N/A GLU 313.A N LYS 309.A O no hydrogen 3.018 N/A VAL 314.A N ARG 310.A O no hydrogen 3.171 N/A SER 315.A N TYR 311.A O no hydrogen 2.983 N/A SER 315.A OG TYR 311.A O no hydrogen 2.747 N/A HIS 316.A N GLU 312.A O no hydrogen 2.820 N/A ASN 317.A N GLU 313.A O no hydrogen 2.930 N/A LEU 318.A N VAL 314.A O no hydrogen 3.010 N/A ALA 319.A N SER 315.A O no hydrogen 2.905 N/A TYR 320.A N HIS 316.A O no hydrogen 2.886 N/A ILE 321.A N ASN 317.A O no hydrogen 3.147 N/A GLN 322.A N LEU 318.A O no hydrogen 2.926 N/A GLN 322.A NE2 GLN 322.A O no hydrogen 3.532 N/A GLN 322.A NE2 ASP 326.A OD1 no hydrogen 2.954 N/A ALA 323.A N ALA 319.A O no hydrogen 2.824 N/A GLN 324.A N TYR 320.A O no hydrogen 2.938 N/A LEU 325.A N ILE 321.A O no hydrogen 3.001 N/A ASP 326.A N GLN 322.A O no hydrogen 2.838 N/A GLU 327.A N ALA 323.A O no hydrogen 2.942 N/A HIS 328.A N GLN 324.A O no hydrogen 3.119 N/A HIS 328.A N LEU 325.A O no hydrogen 3.020 N/A HIS 328.A ND1 GLN 324.A O no hydrogen 2.951 N/A GLY 329.A N ASP 326.A O no hydrogen 3.115 N/A ILE 330.A N LEU 325.A O no hydrogen 2.981 N/A ASN 331.A ND2.B ILE 353.A O no hydrogen 2.756 N/A GLN 333.A N ARG 351.A O no hydrogen 2.864 N/A GLN 335.A N HIS 349.A O no hydrogen 2.905 N/A GLN 335.A NE2 PHE 198.A O no hydrogen 3.281 N/A GLN 335.A NE2 HIS 349.A ND1 no hydrogen 3.031 N/A ARG 337.A N THR 347.A O no hydrogen 2.870 N/A ARG 337.A NE LEU 64.A O no hydrogen 2.829 N/A ARG 337.A NH2 LEU 64.A O no hydrogen 2.785 N/A GLN 338.A N ILE 65.A O no hydrogen 2.915 N/A GLN 338.A NE2 ARG 343.A O no hydrogen 2.784 N/A LEU 339.A N ASP 342.A OD2 no hydrogen 3.074 N/A TYR 340.A N GLU 193.A OE2 no hydrogen 2.672 N/A HIS 341.A N GLU 193.A OE1 no hydrogen 2.893 N/A HIS 341.A ND1 GLU 193.A OE1 no hydrogen 2.843 N/A ASP 342.A N LEU 339.A O no hydrogen 2.960 N/A ARG 343.A N GLU 345.A OE2 no hydrogen 2.919 N/A ARG 343.A NH1 TYR 340.A O no hydrogen 3.072 N/A ARG 343.A NH1 ASP 342.A O no hydrogen 3.107 N/A VAL 346.A N LEU 303.A O no hydrogen 2.906 N/A THR 347.A N ARG 337.A O no hydrogen 2.887 N/A THR 347.A OG1 ASN 302.A OD1 no hydrogen 2.540 N/A THR 347.A OG1 ASP 342.A OD2 no hydrogen 2.620 N/A VAL 348.A N PHE 301.A O no hydrogen 2.774 N/A HIS 349.A N GLN 335.A O no hydrogen 2.751 N/A HIS 349.A NE2 GLU 298.A OE1 no hydrogen 2.679 N/A VAL 350.A N THR 299.A O no hydrogen 2.962 N/A ARG 351.A N GLN 333.A O no hydrogen 2.888 N/A ARG 351.A NH2 GLN 333.A OE1 no hydrogen 3.203 N/A ARG 352.A N ARG 297.A O no hydrogen 2.840 N/A ARG 352.A NH1.A CYS 296.A O no hydrogen 2.972 N/A ILE 353.A N ASN 331.A O no hydrogen 2.859 N/A