Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8a3u_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 2.A ND1 SER 1.A O no hydrogen 3.120 N/A LEU 8.A N ASN 4.A O no hydrogen 3.158 N/A GLN 9.A N ALA 5.A O no hydrogen 2.908 N/A LEU 10.A N LYS 6.A O no hydrogen 2.936 N/A GLU 12.A N GLN 9.A O no hydrogen 2.856 N/A HIS 13.A N LEU 10.A O no hydrogen 2.950 N/A HIS 13.A ND1 LEU 10.A O no hydrogen 3.138 N/A SER 14.A N VAL 11.A O no hydrogen 3.253 N/A ASP 16.A N SER 14.A OG no hydrogen 3.253 N/A GLY 17.A N GLN 116.A O no hydrogen 2.964 N/A ILE 18.A N ASN 34.A OD1 no hydrogen 2.512 N/A VAL 19.A N GLY 114.A O no hydrogen 2.835 N/A VAL 20.A N TYR 32.A O no hydrogen 2.919 N/A ALA 21.A N TYR 112.A O no hydrogen 2.863 N/A GLU 22.A N ILE 29.A O no hydrogen 2.855 N/A GLN 23.A N THR 110.A O no hydrogen 2.902 N/A GLU 24.A N GLU 27.A O no hydrogen 2.826 N/A GLU 27.A N GLU 24.A O no hydrogen 3.130 N/A SER 28.A N ASP 52.A OD2 no hydrogen 3.045 N/A ILE 29.A N GLU 22.A O no hydrogen 2.963 N/A LEU 30.A N GLN 51.A O no hydrogen 3.267 N/A ILE 31.A N VAL 20.A O no hydrogen 2.779 N/A TYR 32.A N VAL 20.A O no hydrogen 2.942 N/A TYR 32.A OH GLU 12.A OE1 no hydrogen 2.484 N/A ASN 34.A N ILE 18.A O no hydrogen 3.042 N/A ASN 34.A ND2 VAL 11.A O no hydrogen 3.238 N/A ASN 34.A ND2 ASP 16.A O no hydrogen 2.973 N/A PHE 37.A N ASN 34.A O no hydrogen 2.651 N/A PHE 37.A N ASN 34.A OD1 no hydrogen 3.362 N/A GLU 38.A N ASN 34.A O no hydrogen 3.342 N/A ARG 39.A N PRO 35.A O no hydrogen 2.926 N/A LEU 40.A N ALA 36.A O no hydrogen 2.919 N/A THR 41.A N PHE 37.A O no hydrogen 2.935 N/A THR 41.A OG1 PHE 37.A O no hydrogen 2.687 N/A GLY 42.A N GLU 38.A O no hydrogen 2.553 N/A ALA 45.A N GLU 38.A OE2 no hydrogen 2.995 N/A ASP 47.A N CYS 44.A O no hydrogen 2.960 N/A ILE 48.A N ALA 45.A O no hydrogen 3.357 N/A LEU 49.A N ALA 45.A O no hydrogen 3.270 N/A TYR 50.A N LEU 30.A O no hydrogen 2.648 N/A ARG 54.A N ASP 52.A OD1 no hydrogen 2.728 N/A ARG 54.A NH1 GLU 27.A OE1 no hydrogen 2.340 N/A ARG 54.A NH2 ASN 26.A O no hydrogen 3.289 N/A LEU 56.A N CYS 53.A O no hydrogen 2.906 N/A GLN 57.A N ARG 54.A O no hydrogen 2.924 N/A GLY 58.A N PHE 55.A O no hydrogen 3.237 N/A ASP 60.A N GLN 57.A O no hydrogen 3.242 N/A HIS 61.A NE2 GLY 58.A O no hydrogen 2.782 N/A GLN 63.A NE2 ASP 60.A O no hydrogen 2.805 N/A GLN 63.A NE2 ARG 84.A O no hydrogen 3.361 N/A ILE 66.A N GLN 63.A O no hydrogen 3.176 N/A ILE 68.A N PRO 64.A O no hydrogen 2.960 N/A ILE 69.A N GLY 65.A O no hydrogen 2.898 N/A ARG 70.A N ILE 66.A O no hydrogen 2.930 N/A ARG 70.A NE ASN 26.A OD1 no hydrogen 3.036 N/A ARG 70.A NH1 ARG 70.A O no hydrogen 3.369 N/A ARG 70.A NH2 ASN 26.A OD1 no hydrogen 2.874 N/A GLU 71.A N ALA 67.A O no hydrogen 2.925 N/A ALA 72.A N ILE 68.A O no hydrogen 2.887 N/A ILE 73.A N ILE 69.A O no hydrogen 2.876 N/A ARG 74.A N ARG 70.A O no hydrogen 2.965 N/A ARG 74.A NH1 GLU 71.A OE2 no hydrogen 2.293 N/A GLU 75.A N GLU 71.A O no hydrogen 2.857 N/A GLY 76.A N ALA 72.A O no hydrogen 2.807 N/A ARG 77.A N ALA 72.A O no hydrogen 3.205 N/A CYS 79.A N ILE 99.A O no hydrogen 2.926 N/A CYS 80.A SG GLU 96.A OE2 no hydrogen 3.823 N/A CYS 80.A SG LEU 97.A O no hydrogen 3.965 N/A CYS 80.A SG SER 98.A OG no hydrogen 3.584 N/A GLN 81.A N LEU 97.A O no hydrogen 2.942 N/A LEU 83.A N ASN 95.A O no hydrogen 2.890 N/A ARG 84.A N GLN 63.A OE1 no hydrogen 2.545 N/A ARG 84.A NE ASP 60.A OD2 no hydrogen 2.307 N/A ARG 84.A NH2 ASP 60.A OD1 no hydrogen 2.646 N/A ARG 84.A NH2 ASP 60.A OD2 no hydrogen 2.977 N/A ASN 85.A N PHE 93.A O no hydrogen 2.937 N/A ASN 85.A ND2 ARG 84.A O no hydrogen 2.909 N/A TYR 86.A N LEU 56.A O no hydrogen 2.784 N/A TYR 86.A OH ASP 60.A OD2 no hydrogen 3.057 N/A ARG 87.A N SER 91.A O no hydrogen 2.830 N/A ARG 87.A NE LEU 40.A O no hydrogen 2.891 N/A LYS 88.A N THR 41.A O no hydrogen 3.212 N/A GLY 90.A N ARG 87.A O no hydrogen 2.859 N/A SER 91.A N ASP 89.A OD1 no hydrogen 3.048 N/A SER 91.A OG ASP 89.A OD1 no hydrogen 3.105 N/A SER 91.A OG ASP 89.A OD2 no hydrogen 2.784 N/A PHE 93.A N ASN 85.A O no hydrogen 2.929 N/A ASN 95.A N LEU 83.A O no hydrogen 2.867 N/A ASN 95.A ND2 ASN 85.A OD1 no hydrogen 3.260 N/A GLU 96.A N ARG 117.A O no hydrogen 2.889 N/A LEU 97.A N GLN 81.A O no hydrogen 2.860 N/A SER 98.A N ILE 115.A O no hydrogen 2.796 N/A ILE 99.A N CYS 79.A O no hydrogen 2.820 N/A THR 100.A N ILE 113.A O no hydrogen 2.929 N/A VAL 102.A N TYR 111.A O no hydrogen 2.877 N/A ASN 104.A N LEU 109.A O no hydrogen 2.884 N/A ALA 106.A N ASN 104.A OD1 no hydrogen 3.140 N/A LEU 109.A N ASN 104.A O no hydrogen 2.990 N/A LEU 109.A N ASP 107.A OD1 no hydrogen 3.274 N/A TYR 111.A N VAL 102.A O no hydrogen 2.916 N/A TYR 111.A OH ASP 107.A OD2 no hydrogen 3.376 N/A TYR 112.A N ALA 21.A O no hydrogen 2.884 N/A ILE 113.A N THR 100.A O no hydrogen 3.009 N/A GLY 114.A N VAL 19.A O no hydrogen 2.844 N/A ILE 115.A N SER 98.A O no hydrogen 2.950 N/A GLN 116.A N GLY 17.A O no hydrogen 2.773 N/A ARG 117.A N GLU 96.A O no hydrogen 2.915 N/A VAL 119.A N TRP 94.A O no hydrogen 2.941 N/A THR 120.A N ASP 118.A OD1 no hydrogen 3.056 N/A GLN 123.A N VAL 119.A O no hydrogen 2.984 N/A GLN 124.A N THR 120.A O no hydrogen 2.940 N/A THR 125.A N GLU 121.A O no hydrogen 2.944 N/A THR 125.A OG1 GLU 121.A O no hydrogen 3.204 N/A THR 125.A OG1 HIS 122.A O no hydrogen 2.857 N/A GLN 126.A N HIS 122.A O no hydrogen 2.955 N/A ALA 127.A N GLN 123.A O no hydrogen 2.940 N/A ARG 128.A N GLN 124.A O no hydrogen 2.925 N/A ARG 128.A NE GLU 225.A OE1 no hydrogen 2.913 N/A ARG 128.A NE GLU 225.A OE2 no hydrogen 3.188 N/A ARG 128.A NH1 GLU 131.A OE1 no hydrogen 3.100 N/A LEU 129.A N THR 125.A O no hydrogen 2.894 N/A GLN 130.A N GLN 126.A O no hydrogen 2.951 N/A GLU 131.A N ALA 127.A O no hydrogen 2.981 N/A LEU 132.A N ARG 128.A O no hydrogen 2.905 N/A GLN 133.A N LEU 129.A O no hydrogen 2.884 N/A SER 134.A N GLN 130.A O no hydrogen 3.015 N/A GLU 135.A N GLU 131.A O no hydrogen 2.976 N/A LEU 136.A N LEU 132.A O no hydrogen 2.880 N/A VAL 137.A N GLN 133.A O no hydrogen 2.965 N/A HIS 138.A N SER 134.A O no hydrogen 3.079 N/A VAL 139.A N GLU 135.A O no hydrogen 2.896 N/A SER 140.A N LEU 136.A O no hydrogen 2.830 N/A SER 140.A OG LEU 136.A O no hydrogen 2.945 N/A ARG 141.A N VAL 137.A O no hydrogen 3.024 N/A LEU 142.A N HIS 138.A O no hydrogen 3.051 N/A SER 143.A N VAL 139.A O no hydrogen 2.839 N/A ALA 144.A N SER 140.A O no hydrogen 2.924 N/A GLU 146.A N SER 143.A O no hydrogen 2.900 N/A SER 148.A N GLY 145.A O no hydrogen 2.929 N/A ALA 149.A N GLU 146.A O no hydrogen 2.898 N/A ALA 151.A N ALA 147.A O no hydrogen 2.941 N/A HIS 152.A N SER 148.A O no hydrogen 2.952 N/A GLU 153.A N ALA 149.A O no hydrogen 2.906 N/A LEU 154.A N LEU 150.A O no hydrogen 2.831 N/A ASN 155.A N ALA 151.A O no hydrogen 2.948 N/A LEU 158.A N LEU 154.A O no hydrogen 3.267 N/A ALA 159.A N ASN 155.A O no hydrogen 2.965 N/A ALA 160.A N GLN 156.A O no hydrogen 2.808 N/A ILE 161.A N PRO 157.A O no hydrogen 2.916 N/A SER 162.A N LEU 158.A O no hydrogen 2.945 N/A SER 162.A OG LEU 158.A O no hydrogen 3.284 N/A ASN 163.A N ALA 159.A O no hydrogen 2.831 N/A TYR 164.A N ALA 160.A O no hydrogen 2.866 N/A GLY 166.A N ASN 163.A O no hydrogen 2.865 N/A SER 167.A N TYR 164.A O no hydrogen 2.904 N/A SER 167.A OG TYR 164.A O no hydrogen 2.850 N/A ARG 169.A N LYS 165.A O no hydrogen 3.017 N/A LEU 170.A N GLY 166.A O no hydrogen 2.881 N/A LEU 171.A N SER 167.A O no hydrogen 2.910 N/A ALA 172.A N ARG 169.A O no hydrogen 3.339 N/A SER 174.A OG THR 179.A OG1 no hydrogen 3.150 N/A ASP 176.A N SER 174.A OG no hydrogen 3.197 N/A ASN 178.A N ASP 176.A OD1 no hydrogen 2.839 N/A THR 179.A N ASP 176.A O no hydrogen 3.077 N/A THR 179.A OG1 SER 174.A OG no hydrogen 3.150 N/A THR 179.A OG1 ASP 176.A O no hydrogen 3.313 N/A VAL 182.A N ASN 178.A O no hydrogen 3.097 N/A GLU 183.A N THR 179.A O no hydrogen 2.812 N/A SER 184.A N PRO 180.A O no hydrogen 2.824 N/A SER 184.A OG PRO 180.A O no hydrogen 3.078 N/A ALA 185.A N LYS 181.A O no hydrogen 2.650 N/A LEU 186.A N VAL 182.A O no hydrogen 2.814 N/A ASP 187.A N GLU 183.A O no hydrogen 2.766 N/A ARG 188.A N SER 184.A O no hydrogen 2.902 N/A ALA 189.A N ALA 185.A O no hydrogen 2.905 N/A ALA 190.A N LEU 186.A O no hydrogen 2.827 N/A GLU 191.A N ASP 187.A O no hydrogen 3.000 N/A GLN 192.A N ARG 188.A O no hydrogen 2.974 N/A ALA 193.A N ALA 189.A O no hydrogen 2.963 N/A LEU 194.A N ALA 190.A O no hydrogen 2.966 N/A ARG 195.A N GLU 191.A O no hydrogen 2.788 N/A ALA 196.A N GLN 192.A O no hydrogen 2.854 N/A GLY 197.A N ALA 193.A O no hydrogen 3.183 N/A GLN 198.A N LEU 194.A O no hydrogen 2.910 N/A ILE 199.A N ARG 195.A O no hydrogen 2.846 N/A ILE 200.A N ALA 196.A O no hydrogen 3.113 N/A ARG 201.A N GLY 197.A O no hydrogen 3.196 N/A ARG 202.A N GLN 198.A O no hydrogen 2.773 N/A LEU 203.A N ILE 199.A O no hydrogen 3.053 N/A LEU 203.A N ILE 200.A O no hydrogen 3.024 N/A ARG 204.A N ILE 200.A O no hydrogen 2.818 N/A ASP 205.A N ARG 201.A O no hydrogen 2.952 N/A VAL 207.A N LEU 203.A O no hydrogen 3.060 N/A VAL 207.A N ARG 204.A O no hydrogen 2.966 N/A ALA 208.A N ARG 204.A O no hydrogen 3.036 N/A ARG 209.A NE PHE 206.A O no hydrogen 2.966 N/A GLY 210.A N ALA 208.A O no hydrogen 2.778 N/A GLU 213.A N GLU 211.A O no hydrogen 3.055 N/A ARG 215.A N ALA 254.A O no hydrogen 2.898 N/A ARG 215.A NH1 GLU 217.A OE2 no hydrogen 2.293 N/A GLU 217.A N VAL 252.A O no hydrogen 2.892 N/A LEU 219.A N ASP 250.A O no hydrogen 2.686 N/A SER 220.A N ASP 250.A OD1 no hydrogen 3.095 N/A LEU 222.A N SER 218.A O no hydrogen 2.997 N/A ILE 223.A N LEU 219.A O no hydrogen 2.863 N/A GLU 224.A N SER 220.A O no hydrogen 2.955 N/A GLU 225.A N LYS 221.A O no hydrogen 2.866 N/A ALA 226.A N LEU 222.A O no hydrogen 2.921 N/A GLY 227.A N ILE 223.A O no hydrogen 2.849 N/A ALA 228.A N GLU 224.A O no hydrogen 2.976 N/A GLY 230.A N ALA 226.A O no hydrogen 2.851 N/A LEU 231.A N GLY 227.A O no hydrogen 2.703 N/A GLU 236.A N GLY 233.A O no hydrogen 3.231 N/A VAL 239.A N ALA 234.A O no hydrogen 3.218 N/A GLN 240.A N ARG 279.A O no hydrogen 2.824 N/A ARG 242.A N LEU 281.A O no hydrogen 2.930 N/A SER 244.A N VAL 283.A O no hydrogen 2.896 N/A ASP 246.A N ASN 285.A OD1 no hydrogen 2.563 N/A GLY 248.A N ASP 246.A OD1 no hydrogen 3.285 N/A ALA 249.A N ASP 246.A O no hydrogen 3.054 N/A VAL 252.A N GLU 217.A O no hydrogen 2.939 N/A ALA 254.A N ARG 215.A O no hydrogen 2.868 N/A ASP 255.A N HIS 336.A NE2 no hydrogen 2.884 N/A ARG 256.A N ASP 255.A OD1 no hydrogen 2.483 N/A ARG 256.A NH1 GLN 260.A OE1 no hydrogen 3.107 N/A GLN 258.A NE2 SER 212.A OG no hydrogen 3.415 N/A GLN 260.A N ARG 256.A O no hydrogen 2.904 N/A GLN 261.A N VAL 257.A O no hydrogen 2.933 N/A VAL 262.A N GLN 258.A O no hydrogen 2.938 N/A LEU 263.A N ILE 259.A O no hydrogen 2.906 N/A VAL 264.A N GLN 260.A O no hydrogen 2.890 N/A ASN 265.A N GLN 261.A O no hydrogen 3.022 N/A LEU 266.A N VAL 262.A O no hydrogen 2.923 N/A PHE 267.A N LEU 263.A O no hydrogen 2.798 N/A ARG 268.A N VAL 264.A O no hydrogen 2.925 N/A ARG 268.A NE GLY 230.A O no hydrogen 3.132 N/A ARG 268.A NH2 GLY 230.A O no hydrogen 2.326 N/A ASN 269.A N ASN 265.A O no hydrogen 2.971 N/A ALA 270.A N LEU 266.A O no hydrogen 2.890 N/A LEU 271.A N PHE 267.A O no hydrogen 2.903 N/A GLU 272.A N ARG 268.A O no hydrogen 2.962 N/A ALA 273.A N ASN 269.A O no hydrogen 3.018 N/A SER 276.A OG ALA 273.A O no hydrogen 3.433 N/A SER 276.A OG THR 299.A O no hydrogen 3.055 N/A GLN 277.A N GLN 277.A OE1 no hydrogen 2.593 N/A ARG 279.A NE SER 276.A O no hydrogen 3.081 N/A ARG 279.A NH1 GLN 237.A OE1 no hydrogen 2.364 N/A LEU 281.A N GLN 240.A O no hydrogen 2.867 N/A VAL 282.A N SER 297.A O no hydrogen 2.924 N/A VAL 283.A N ARG 242.A O no hydrogen 2.944 N/A THR 284.A N GLU 295.A O no hydrogen 2.910 N/A ASN 285.A ND2 ASP 246.A O no hydrogen 3.161 N/A ASN 285.A ND2 ALA 249.A O no hydrogen 2.878 N/A THR 286.A N GLU 293.A O no hydrogen 2.911 N/A THR 286.A OG1 GLU 293.A O no hydrogen 3.466 N/A GLU 293.A N THR 286.A O no hydrogen 2.877 N/A VAL 294.A N PHE 353.A O no hydrogen 2.866 N/A GLU 295.A N THR 284.A O no hydrogen 2.828 N/A VAL 296.A N PHE 351.A O no hydrogen 2.887 N/A SER 297.A N VAL 282.A O no hydrogen 2.904 N/A SER 297.A OG THR 350.A OG1 no hydrogen 3.095 N/A ASP 298.A N ALA 349.A O no hydrogen 3.015 N/A SER 301.A N ALA 273.A O no hydrogen 3.028 N/A SER 301.A OG ALA 273.A O no hydrogen 3.232 N/A ASP 306.A N ASP 306.A OD1 no hydrogen 2.407 N/A VAL 307.A N GLN 304.A O no hydrogen 3.189 N/A ASN 310.A N VAL 307.A O no hydrogen 2.869 N/A LEU 311.A N ILE 308.A O no hydrogen 3.313 N/A GLN 313.A N ASN 310.A O no hydrogen 3.132 N/A THR 314.A OG1 GLU 146.A OE2 no hydrogen 3.541 N/A PHE 315.A N GLY 323.A O no hydrogen 3.174 N/A PHE 316.A N GLN 313.A O no hydrogen 3.246 N/A LYS 319.A N THR 317.A OG1 no hydrogen 3.126 N/A GLY 322.A N LYS 319.A O no hydrogen 3.336 N/A SER 327.A OG GLU 146.A OE2 no hydrogen 2.661 N/A SER 327.A OG VAL 324.A O no hydrogen 2.794 N/A ILE 328.A N VAL 324.A O no hydrogen 3.144 N/A SER 329.A N GLY 325.A O no hydrogen 2.919 N/A SER 329.A OG LEU 326.A O no hydrogen 2.619 N/A ARG 330.A N LEU 326.A O no hydrogen 2.849 N/A SER 331.A N SER 327.A O no hydrogen 3.008 N/A SER 331.A OG SER 327.A O no hydrogen 3.397 N/A SER 331.A OG ILE 328.A O no hydrogen 2.633 N/A ILE 332.A N ILE 328.A O no hydrogen 2.903 N/A ILE 333.A N SER 329.A O no hydrogen 2.910 N/A GLU 334.A N ARG 330.A O no hydrogen 2.958 N/A ALA 335.A N SER 331.A O no hydrogen 2.920 N/A HIS 336.A N ILE 332.A O no hydrogen 3.047 N/A HIS 336.A ND1 ILE 332.A O no hydrogen 3.007 N/A GLY 337.A N GLU 334.A O no hydrogen 3.449 N/A GLY 338.A N ILE 333.A O no hydrogen 2.996 N/A ARG 339.A N THR 354.A OG1 no hydrogen 2.750 N/A GLU 342.A N THR 350.A O no hydrogen 2.941 N/A SER 343.A OG PHE 303.A O no hydrogen 3.542 N/A ASN 344.A N GLY 348.A O no hydrogen 3.065 N/A ASN 344.A ND2 ASP 298.A O no hydrogen 3.524 N/A GLY 347.A N ASN 344.A O no hydrogen 3.184 N/A ALA 349.A N ASP 298.A OD1 no hydrogen 2.653 N/A THR 350.A N GLU 342.A O no hydrogen 2.873 N/A THR 350.A OG1 SER 297.A OG no hydrogen 3.095 N/A PHE 351.A N VAL 296.A O no hydrogen 2.957 N/A ARG 352.A N TRP 340.A O no hydrogen 3.103 N/A ARG 352.A NE GLU 342.A OE2 no hydrogen 3.019 N/A ARG 352.A NH2 GLU 342.A OE2 no hydrogen 3.084 N/A PHE 353.A N VAL 294.A O no hydrogen 2.979 N/A THR 354.A N ARG 339.A O no hydrogen 2.930 N/A THR 354.A OG1 ARG 339.A O no hydrogen 3.411 N/A LEU 355.A N ILE 292.A O no hydrogen 3.158 N/A