Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1llu_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 5.A OG1 VAL 23.A O no hydrogen 3.529 N/A MET 6.A N VAL 23.A O no hydrogen 2.830 N/A LYS 7.A N GLU 127.A OE2 no hydrogen 2.629 N/A LYS 7.A NZ ASP 319.A OD1 no hydrogen 3.489 N/A ALA 8.A N GLU 21.A O no hydrogen 3.042 N/A ALA 9.A N TYR 125.A O no hydrogen 2.813 N/A VAL 10.A N ARG 19.A O no hydrogen 2.992 N/A VAL 11.A N PHE 62.A O no hydrogen 2.897 N/A TYR 14.A OH PRO 58.A O no hydrogen 2.658 N/A GLY 15.A N ALA 50.A O no hydrogen 3.067 N/A ALA 16.A N ALA 13.A O no hydrogen 3.073 N/A LEU 18.A N ASN 322.A OD1 no hydrogen 2.741 N/A ARG 19.A N VAL 10.A O no hydrogen 2.970 N/A GLU 21.A N ALA 8.A O no hydrogen 2.944 N/A VAL 23.A N MET 6.A O no hydrogen 2.862 N/A VAL 25.A N GLN 4.A O no hydrogen 3.295 N/A GLY 29.A N GLN 32.A OE1 no hydrogen 2.654 N/A GLN 32.A N GLY 29.A O no hydrogen 3.126 N/A VAL 33.A N ALA 131.A O no hydrogen 3.040 N/A LEU 34.A N ALA 74.A O no hydrogen 2.831 N/A VAL 35.A N VAL 129.A O no hydrogen 2.822 N/A LYS 36.A N TYR 71.A O no hydrogen 2.722 N/A ILE 37.A N GLU 127.A O no hydrogen 2.820 N/A GLU 38.A N VAL 69.A O no hydrogen 2.679 N/A ALA 39.A N VAL 69.A O no hydrogen 3.085 N/A SER 40.A N LEU 339.A O no hydrogen 2.744 N/A SER 40.A OG GLY 124.A O no hydrogen 2.784 N/A GLY 41.A N GLU 67.A O no hydrogen 3.095 N/A VAL 42.A N ILE 337.A O no hydrogen 3.038 N/A CYS 43.A N ASP 46.A OD2 no hydrogen 2.873 N/A CYS 43.A SG HIS 66.A NE2 no hydrogen 3.637 N/A ASP 46.A N CYS 43.A O no hydrogen 2.779 N/A LEU 47.A N HIS 44.A O no hydrogen 2.893 N/A HIS 48.A N HIS 44.A O no hydrogen 3.175 N/A HIS 48.A ND1 ASP 53.A OD2 no hydrogen 3.040 N/A ALA 49.A N THR 45.A O no hydrogen 2.920 N/A ALA 50.A N ASP 46.A O no hydrogen 2.945 N/A GLU 51.A N LEU 47.A O no hydrogen 2.832 N/A GLY 52.A N ALA 49.A O no hydrogen 3.257 N/A ASP 53.A N HIS 48.A O no hydrogen 2.935 N/A TRP 54.A NE1 LEU 267.A O no hydrogen 3.083 N/A LYS 57.A NZ GLY 52.A O no hydrogen 2.787 N/A LYS 57.A NZ TRP 54.A O no hydrogen 2.861 N/A PHE 62.A N VAL 11.A O no hydrogen 3.174 N/A ILE 63.A N ASN 122.A OD1 no hydrogen 2.979 N/A VAL 69.A N ALA 39.A O no hydrogen 2.755 N/A GLY 70.A N VAL 88.A O no hydrogen 2.937 N/A TYR 71.A N LYS 36.A O no hydrogen 3.148 N/A VAL 72.A N ASP 86.A O no hydrogen 2.915 N/A ALA 73.A N LEU 34.A O no hydrogen 2.612 N/A ALA 74.A N LEU 34.A O no hydrogen 3.383 N/A GLY 76.A N GLN 32.A O no hydrogen 2.683 N/A ARG 81.A NH1 PRO 133.A O no hydrogen 2.828 N/A ARG 81.A NH1 VAL 136.A O no hydrogen 2.953 N/A LYS 83.A N ASP 86.A OD2 no hydrogen 2.746 N/A LYS 83.A NZ ASP 86.A OD1 no hydrogen 3.315 N/A GLY 85.A N VAL 72.A O no hydrogen 2.794 N/A ASP 86.A N LYS 83.A O no hydrogen 3.057 N/A VAL 88.A N GLY 70.A O no hydrogen 2.801 N/A GLY 89.A N GLY 137.A O no hydrogen 2.850 N/A ILE 90.A N GLY 68.A O no hydrogen 2.888 N/A TYR 94.A N GLN 115.A O no hydrogen 3.087 N/A THR 95.A OG1 ASP 132.A OD1 no hydrogen 2.776 N/A CYS 99.A SG CYS 97.A O no hydrogen 4.002 N/A LEU 104.A N CYS 100.A O no hydrogen 2.925 N/A THR 105.A N HIS 102.A O no hydrogen 3.237 N/A THR 105.A OG1 GLU 101.A O no hydrogen 2.876 N/A THR 105.A OG1 HIS 102.A O no hydrogen 3.358 N/A TRP 107.A N HIS 102.A O no hydrogen 2.767 N/A GLU 108.A N GLU 108.A OE1 no hydrogen 3.115 N/A THR 109.A OG1 ILE 290.A O no hydrogen 3.532 N/A LEU 110.A N TRP 107.A O no hydrogen 2.877 N/A CYS 111.A N GLU 108.A O no hydrogen 3.017 N/A GLN 114.A NE2 THR 109.A O no hydrogen 2.864 N/A GLN 114.A NE2 CYS 111.A O no hydrogen 2.742 N/A ASN 116.A N SER 120.A OG no hydrogen 2.842 N/A ASN 116.A ND2 TRP 92.A O no hydrogen 3.382 N/A ASN 116.A ND2 GLN 114.A OE1 no hydrogen 2.998 N/A THR 117.A N TRP 92.A O no hydrogen 3.143 N/A THR 117.A OG1 PRO 91.A O no hydrogen 2.798 N/A GLY 118.A N VAL 121.A O no hydrogen 2.763 N/A TYR 119.A N ASN 116.A O no hydrogen 3.150 N/A TYR 119.A N VAL 121.A O no hydrogen 3.219 N/A TYR 119.A OH VAL 56.A O no hydrogen 2.531 N/A SER 120.A N ASN 116.A O no hydrogen 2.968 N/A SER 120.A OG GLN 115.A OE1 no hydrogen 2.652 N/A SER 120.A OG ASN 116.A O no hydrogen 3.496 N/A VAL 121.A N ASN 116.A O no hydrogen 3.295 N/A GLY 123.A N ILE 63.A O no hydrogen 2.707 N/A GLY 124.A N GLY 65.A O no hydrogen 2.700 N/A TYR 125.A N PRO 64.A O no hydrogen 2.857 N/A TYR 125.A OH ASP 46.A OD2 no hydrogen 2.708 N/A GLU 127.A N LYS 7.A O no hydrogen 3.295 N/A VAL 129.A N VAL 35.A O no hydrogen 2.922 N/A ALA 131.A N VAL 33.A O no hydrogen 2.926 N/A ASN 134.A N ASP 132.A OD2 no hydrogen 2.950 N/A TYR 135.A N ASP 132.A O no hydrogen 3.134 N/A GLY 137.A N GLY 89.A O no hydrogen 2.724 N/A ILE 138.A N GLN 298.A OE1 no hydrogen 2.931 N/A LEU 139.A N ARG 87.A O no hydrogen 3.314 N/A ASN 142.A ND2 GLY 305.A O no hydrogen 2.944 N/A VAL 143.A N PRO 140.A O no hydrogen 3.473 N/A ILE 148.A N GLU 144.A O no hydrogen 2.952 N/A ALA 149.A N PHE 145.A O no hydrogen 2.917 N/A ILE 151.A N ILE 148.A O no hydrogen 3.001 N/A LEU 152.A N ALA 149.A O no hydrogen 2.884 N/A CYS 153.A N PRO 150.A O no hydrogen 3.218 N/A ALA 154.A N GLU 67.A OE2 no hydrogen 2.956 N/A GLY 155.A N PRO 150.A O no hydrogen 2.968 N/A VAL 156.A N ILE 151.A O no hydrogen 3.170 N/A THR 157.A N CYS 153.A O no hydrogen 2.974 N/A THR 157.A OG1 CYS 153.A O no hydrogen 2.577 N/A VAL 158.A N ALA 154.A O no hydrogen 3.169 N/A TYR 159.A N GLY 155.A O no hydrogen 2.901 N/A TYR 159.A OH GLU 299.A OE1 no hydrogen 2.659 N/A LYS 160.A N VAL 156.A O no hydrogen 2.835 N/A LYS 160.A NZ ASP 296.A OD2 no hydrogen 2.949 N/A GLY 161.A N THR 157.A O no hydrogen 2.834 N/A LEU 162.A N VAL 158.A O no hydrogen 2.883 N/A LYS 163.A N TYR 159.A O no hydrogen 3.124 N/A LYS 163.A NZ ASP 296.A OD1 no hydrogen 2.694 N/A LYS 163.A NZ GLU 299.A OE1 no hydrogen 3.032 N/A GLN 164.A N LYS 160.A O no hydrogen 2.905 N/A THR 165.A N GLY 161.A O no hydrogen 3.096 N/A THR 165.A N LEU 162.A O no hydrogen 3.307 N/A ASN 166.A N LYS 163.A O no hydrogen 3.195 N/A GLY 170.A N GLY 193.A O no hydrogen 2.714 N/A GLN 171.A N ARG 168.A O no hydrogen 2.954 N/A VAL 173.A N HIS 195.A O no hydrogen 2.960 N/A ALA 174.A N GLY 238.A O no hydrogen 2.904 N/A ILE 175.A N ALA 197.A O no hydrogen 2.757 N/A SER 176.A N LEU 240.A O no hydrogen 2.912 N/A GLY 177.A N ILE 199.A O no hydrogen 2.722 N/A ILE 178.A N ASP 200.A OD2 no hydrogen 2.746 N/A HIS 183.A N GLY 179.A O no hydrogen 2.951 N/A HIS 183.A ND1 GLY 179.A O no hydrogen 2.748 N/A ALA 185.A N LEU 181.A O no hydrogen 2.970 N/A VAL 186.A N GLY 182.A O no hydrogen 3.197 N/A GLN 187.A NE2 HIS 183.A O no hydrogen 3.678 N/A GLN 187.A NE2 LYS 310.A O no hydrogen 2.635 N/A TYR 188.A N VAL 184.A O no hydrogen 3.085 N/A TYR 188.A OH ALA 300.A O no hydrogen 2.712 N/A ALA 189.A N ALA 185.A O no hydrogen 2.817 N/A ARG 190.A N VAL 186.A O no hydrogen 3.115 N/A ARG 190.A NE LEU 194.A O no hydrogen 3.240 N/A ALA 191.A N GLN 187.A O no hydrogen 3.061 N/A MET 192.A N ALA 189.A O no hydrogen 3.140 N/A GLY 193.A N ARG 190.A O no hydrogen 2.915 N/A LEU 194.A N ALA 189.A O no hydrogen 3.009 N/A HIS 195.A N GLN 171.A O no hydrogen 2.818 N/A ALA 197.A N VAL 173.A O no hydrogen 3.011 N/A ALA 198.A N LEU 216.A O no hydrogen 2.849 N/A ILE 199.A N ILE 175.A O no hydrogen 2.842 N/A ASP 200.A N VAL 218.A O no hydrogen 3.151 N/A ILE 201.A N ASP 200.A OD1 no hydrogen 2.572 N/A ALA 204.A N ASP 202.A OD2 no hydrogen 2.969 N/A LYS 205.A N ASP 202.A O no hydrogen 3.061 N/A LYS 205.A NZ ILE 333.A O no hydrogen 2.996 N/A LEU 206.A N ASP 202.A O no hydrogen 3.123 N/A GLU 207.A N ASP 203.A O no hydrogen 2.880 N/A LEU 208.A N ALA 204.A O no hydrogen 3.130 N/A ALA 209.A N LYS 205.A O no hydrogen 3.179 N/A ARG 210.A N LEU 206.A O no hydrogen 2.877 N/A ARG 210.A NH2 SER 215.A O no hydrogen 3.508 N/A LYS 211.A N GLU 207.A O no hydrogen 2.994 N/A LYS 211.A NZ GLU 207.A OE2 no hydrogen 2.615 N/A LEU 212.A N LEU 208.A O no hydrogen 2.995 N/A GLY 213.A N ARG 210.A O no hydrogen 3.024 N/A ALA 214.A N ALA 209.A O no hydrogen 2.961 N/A SER 215.A N VAL 196.A O no hydrogen 2.762 N/A LEU 216.A N VAL 196.A O no hydrogen 3.237 N/A THR 217.A OG1 LEU 206.A O no hydrogen 3.341 N/A VAL 218.A N ALA 198.A O no hydrogen 2.943 N/A ASN 219.A ND2 ASP 203.A OD1 no hydrogen 2.943 N/A ALA 220.A N ASP 200.A O no hydrogen 2.796 N/A ARG 221.A N ASN 219.A OD1 no hydrogen 2.831 N/A GLN 222.A N ASN 219.A O no hydrogen 3.061 N/A GLU 223.A N ASN 219.A O no hydrogen 3.154 N/A VAL 226.A N ASP 224.A OD1 no hydrogen 2.966 N/A GLU 227.A N ASP 224.A OD1 no hydrogen 3.449 N/A ALA 228.A N ASP 224.A O no hydrogen 3.117 N/A ILE 229.A N PRO 225.A O no hydrogen 3.012 N/A GLN 230.A N VAL 226.A O no hydrogen 2.960 N/A ARG 231.A N GLU 227.A O no hydrogen 2.846 N/A ASP 232.A N ALA 228.A O no hydrogen 2.808 N/A ILE 233.A N ILE 229.A O no hydrogen 2.939 N/A GLY 235.A N ILE 229.A O no hydrogen 3.415 N/A ALA 236.A N MET 255.A O no hydrogen 2.871 N/A GLY 238.A N TRP 172.A O no hydrogen 3.055 N/A VAL 239.A N THR 261.A O no hydrogen 2.770 N/A LEU 240.A N ALA 174.A O no hydrogen 2.858 N/A VAL 241.A N ALA 263.A O no hydrogen 2.904 N/A THR 242.A N SER 176.A O no hydrogen 2.768 N/A ALA 243.A N SER 176.A O no hydrogen 3.062 N/A ASN 246.A ND2 PRO 269.A O no hydrogen 3.020 N/A ASN 246.A ND2 ASP 271.A O no hydrogen 2.743 N/A SER 247.A OG SER 245.A OG no hydrogen 3.079 N/A ALA 248.A N SER 245.A OG no hydrogen 2.923 N/A PHE 249.A N ASN 246.A O no hydrogen 3.041 N/A GLN 251.A N SER 247.A O no hydrogen 2.913 N/A ALA 252.A N ALA 248.A O no hydrogen 2.900 N/A ILE 253.A N PHE 249.A O no hydrogen 3.289 N/A GLY 254.A N GLY 250.A O no hydrogen 3.365 N/A MET 255.A N ALA 252.A O no hydrogen 2.969 N/A ALA 256.A N ILE 253.A O no hydrogen 3.496 N/A ARG 257.A N ALA 236.A O no hydrogen 2.941 N/A ARG 257.A NE GLY 235.A O no hydrogen 2.934 N/A ARG 257.A NH2 GLY 235.A O no hydrogen 2.891 N/A GLY 259.A N LYS 282.A O no hydrogen 2.723 N/A GLY 260.A N ARG 257.A O no hydrogen 2.860 N/A THR 261.A N HIS 237.A O no hydrogen 3.056 N/A ILE 262.A N HIS 285.A O no hydrogen 2.801 N/A ALA 263.A N VAL 239.A O no hydrogen 2.665 N/A LEU 264.A N ALA 287.A O no hydrogen 2.635 N/A VAL 265.A N VAL 241.A O no hydrogen 3.027 N/A GLY 266.A N VAL 241.A O no hydrogen 2.867 N/A VAL 279.A N PRO 275.A O no hydrogen 2.933 N/A VAL 280.A N ILE 276.A O no hydrogen 2.838 N/A LEU 281.A N PHE 277.A O no hydrogen 2.964 N/A LYS 282.A N ASP 278.A O no hydrogen 2.914 N/A LYS 282.A NZ ALA 256.A O no hydrogen 3.191 N/A GLY 283.A N VAL 280.A O no hydrogen 2.988 N/A LEU 284.A N VAL 279.A O no hydrogen 2.949 N/A HIS 285.A N GLY 260.A O no hydrogen 3.059 N/A ALA 287.A N ILE 262.A O no hydrogen 2.816 N/A SER 289.A N LEU 264.A O no hydrogen 2.987 N/A THR 293.A N ASP 296.A OD2 no hydrogen 2.745 N/A THR 293.A OG1 GLY 106.A O no hydrogen 3.187 N/A THR 293.A OG1 GLU 108.A OE1 no hydrogen 3.129 N/A ARG 294.A N GLU 108.A OE2 no hydrogen 3.221 N/A ARG 294.A NE GLU 108.A OE2 no hydrogen 2.676 N/A ARG 294.A NH1 ASN 134.A O no hydrogen 3.045 N/A ARG 294.A NH2 GLU 108.A OE2 no hydrogen 3.481 N/A LEU 297.A N THR 293.A O no hydrogen 2.711 N/A GLN 298.A N ARG 294.A O no hydrogen 2.993 N/A GLN 298.A NE2 ILE 138.A O no hydrogen 3.184 N/A GLU 299.A N ALA 295.A O no hydrogen 3.038 N/A ALA 300.A N ASP 296.A O no hydrogen 2.805 N/A LEU 301.A N LEU 297.A O no hydrogen 2.842 N/A ASP 302.A N GLN 298.A O no hydrogen 2.890 N/A PHE 303.A N GLU 299.A O no hydrogen 3.244 N/A PHE 303.A N ALA 300.A O no hydrogen 3.239 N/A ALA 304.A N ALA 300.A O no hydrogen 3.468 N/A GLY 305.A N LEU 301.A O no hydrogen 2.857 N/A GLU 306.A N ASP 302.A O no hydrogen 2.807 N/A GLY 307.A N ALA 304.A O no hydrogen 3.014 N/A LEU 308.A N PHE 303.A O no hydrogen 2.939 N/A LYS 310.A N GLN 187.A OE1 no hydrogen 2.778 N/A THR 312.A N HIS 183.A NE2 no hydrogen 2.899 N/A HIS 314.A N ARG 336.A O no hydrogen 2.904 N/A HIS 314.A NE2 GLU 334.A OE1 no hydrogen 3.104 N/A ASP 320.A N LYS 317.A O no hydrogen 2.824 N/A ILE 321.A N LEU 318.A O no hydrogen 3.192 N/A ASN 322.A ND2 LEU 18.A O no hydrogen 2.880 N/A ILE 324.A N ASP 320.A O no hydrogen 2.966 N/A LEU 325.A N ILE 321.A O no hydrogen 2.850 N/A ASP 326.A N ASN 322.A O no hydrogen 2.917 N/A GLN 327.A N GLN 323.A O no hydrogen 2.942 N/A GLN 327.A NE2 GLN 332.A O no hydrogen 3.460 N/A MET 328.A N ILE 324.A O no hydrogen 3.016 N/A ARG 329.A N LEU 325.A O no hydrogen 2.864 N/A ARG 329.A NH1 GLU 51.A OE1 no hydrogen 3.325 N/A ARG 329.A NH2 GLU 51.A OE1 no hydrogen 2.521 N/A ALA 330.A N ASP 326.A O no hydrogen 2.957 N/A GLY 331.A N MET 328.A O no hydrogen 2.865 N/A GLN 332.A N GLN 327.A O no hydrogen 2.834 N/A ARG 336.A N THR 312.A O no hydrogen 2.898 N/A ARG 336.A NE GLU 67.A OE1 no hydrogen 3.093 N/A ARG 336.A NH2 GLU 67.A OE2 no hydrogen 2.752 N/A VAL 338.A N HIS 314.A O no hydrogen 2.814 N/A LEU 339.A N SER 40.A O no hydrogen 2.552 N/A GLU 340.A N GLY 316.A O no hydrogen 2.903 N/A MET 341.A N GLU 38.A O no hydrogen 3.250 N/A