Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3u0g_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 4.A N SER 2.A OG no hydrogen 3.099 N/A ASP 5.A N SER 2.A O no hydrogen 3.138 N/A LYS 9.A N ASN 92.A OD1 no hydrogen 2.874 N/A ILE 10.A N ILE 17.A O no hydrogen 3.025 N/A TRP 11.A N ILE 123.A O no hydrogen 3.073 N/A MET 12.A N LYS 15.A O no hydrogen 2.938 N/A ASP 13.A N VAL 121.A O no hydrogen 2.863 N/A LYS 15.A N MET 12.A O no hydrogen 3.413 N/A ILE 17.A N ILE 10.A O no hydrogen 2.816 N/A TRP 19.A N GLY 8.A O no hydrogen 2.896 N/A TRP 19.A NE1 MET 3.A O no hydrogen 2.736 N/A ARG 20.A NE ASP 5.A OD1 no hydrogen 2.791 N/A ARG 20.A NH1 ASP 7.A OD1 no hydrogen 2.934 N/A ARG 20.A NH2 ASP 5.A OD1 no hydrogen 3.170 N/A ARG 20.A NH2 ASP 7.A OD1 no hydrogen 2.848 N/A ASP 21.A N GLU 18.A O no hydrogen 2.916 N/A ALA 22.A N TRP 19.A O no hydrogen 3.312 N/A LEU 27.A N HIS 25.A ND1 no hydrogen 3.055 N/A THR 28.A OG1 HIS 25.A O no hydrogen 2.702 N/A THR 28.A OG1 SER 107.A OG no hydrogen 3.175 N/A HIS 29.A N GLY 106.A O no hydrogen 2.935 N/A HIS 29.A NE2 GLY 111.A O no hydrogen 2.839 N/A HIS 29.A NE2 VAL 112.A O no hydrogen 3.102 N/A THR 30.A N ILE 105.A O no hydrogen 3.372 N/A THR 30.A OG1 MET 35.A O no hydrogen 2.706 N/A THR 30.A OG1 ILE 105.A O no hydrogen 3.567 N/A LEU 31.A N THR 28.A O no hydrogen 2.867 N/A HIS 32.A N HIS 29.A O no hydrogen 3.061 N/A HIS 32.A NE2 VAL 26.A O no hydrogen 2.826 N/A TYR 33.A N HIS 29.A O no hydrogen 2.942 N/A TYR 33.A OH LEU 110.A O no hydrogen 2.604 N/A GLY 34.A N THR 30.A O no hydrogen 3.048 N/A VAL 37.A N ILE 103.A O no hydrogen 2.822 N/A PHE 38.A N LYS 157.A O no hydrogen 3.089 N/A GLU 39.A N PRO 101.A O no hydrogen 3.075 N/A VAL 41.A N LEU 99.A O no hydrogen 2.856 N/A ARG 42.A NH2 ALA 43.A O no hydrogen 3.275 N/A ALA 43.A N CYS 97.A O no hydrogen 2.987 N/A TYR 44.A N ALA 52.A O no hydrogen 2.912 N/A TYR 44.A OH GLU 257.A OE2 no hydrogen 2.739 N/A LYS 45.A N SER 96.A OG no hydrogen 3.138 N/A LYS 45.A NZ GLU 95.A OE1 no hydrogen 3.383 N/A LYS 45.A NZ GLU 95.A OE2 no hydrogen 2.710 N/A THR 46.A N GLY 50.A O no hydrogen 3.003 N/A THR 46.A OG1 ASP 48.A OD1 no hydrogen 2.716 N/A ALA 47.A N ASN 290.A O no hydrogen 2.692 N/A GLY 49.A N THR 46.A O no hydrogen 2.975 N/A GLY 50.A N ASP 48.A OD1 no hydrogen 3.254 N/A ALA 52.A N TYR 44.A O no hydrogen 3.129 N/A ILE 53.A N THR 301.A O no hydrogen 2.890 N/A PHE 54.A N ARG 42.A O no hydrogen 2.913 N/A ARG 55.A N TRP 299.A O no hydrogen 2.776 N/A ARG 55.A NE GLU 58.A OE2 no hydrogen 2.849 N/A ARG 55.A NH1 ASP 220.A OD2 no hydrogen 2.855 N/A ARG 55.A NH1 THR 221.A OG1 no hydrogen 2.853 N/A ARG 55.A NH2 GLU 58.A OE2 no hydrogen 3.302 N/A ARG 55.A NH2 ASP 220.A OD2 no hydrogen 2.950 N/A GLU 58.A N GLU 58.A OE1 no hydrogen 2.960 N/A HIS 59.A N ARG 55.A O no hydrogen 2.967 N/A HIS 59.A ND1 GLU 39.A OE2 no hydrogen 2.650 N/A THR 60.A N LEU 56.A O no hydrogen 2.832 N/A THR 60.A OG1 LEU 56.A O no hydrogen 2.844 N/A LYS 61.A N LYS 57.A O no hydrogen 2.830 N/A ARG 62.A N GLU 58.A O no hydrogen 2.845 N/A ARG 62.A NE GLU 39.A OE1 no hydrogen 2.710 N/A ARG 62.A NH1 ASP 215.A O no hydrogen 3.154 N/A ARG 62.A NH2 GLU 39.A OE1 no hydrogen 3.382 N/A ARG 62.A NH2 GLU 39.A OE2 no hydrogen 2.737 N/A LEU 63.A N HIS 59.A O no hydrogen 2.876 N/A LEU 64.A N THR 60.A O no hydrogen 2.992 N/A ASN 65.A N LYS 61.A O no hydrogen 2.769 N/A SER 66.A N ARG 62.A O no hydrogen 2.746 N/A SER 66.A OG ARG 62.A O no hydrogen 3.035 N/A ALA 67.A N LEU 63.A O no hydrogen 3.108 N/A LYS 68.A N LEU 64.A O no hydrogen 2.888 N/A ILE 69.A N ASN 65.A O no hydrogen 2.920 N/A PHE 70.A N SER 66.A O no hydrogen 3.326 N/A GLN 71.A N LYS 68.A O no hydrogen 3.015 N/A MET 72.A N ALA 67.A O no hydrogen 2.842 N/A GLN 78.A NE2 GLU 82.A OE2 no hydrogen 2.850 N/A THR 80.A N ASP 77.A OD1 no hydrogen 2.997 N/A THR 80.A OG1 ASP 77.A OD1 no hydrogen 2.818 N/A LEU 81.A N ASP 77.A O no hydrogen 3.244 N/A GLU 82.A N GLN 78.A O no hydrogen 3.003 N/A ALA 83.A N GLU 79.A O no hydrogen 3.077 N/A ALA 84.A N THR 80.A O no hydrogen 2.799 N/A GLN 85.A N LEU 81.A O no hydrogen 3.028 N/A GLN 85.A NE2 THR 60.A OG1 no hydrogen 2.782 N/A GLN 85.A NE2 LEU 81.A O no hydrogen 2.995 N/A ARG 86.A N GLU 82.A O no hydrogen 3.100 N/A ARG 86.A NE LYS 302.A O no hydrogen 3.503 N/A ASP 87.A N ALA 83.A O no hydrogen 2.857 N/A VAL 88.A N ALA 84.A O no hydrogen 2.940 N/A VAL 89.A N GLN 85.A O no hydrogen 3.243 N/A ARG 90.A N ARG 86.A O no hydrogen 2.964 N/A ARG 90.A NH1 ASP 87.A OD1 no hydrogen 2.736 N/A GLU 91.A N ASP 87.A O no hydrogen 2.911 N/A ASN 92.A N VAL 88.A O no hydrogen 3.224 N/A ASN 92.A ND2 LYS 9.A O no hydrogen 2.706 N/A ASN 92.A ND2 VAL 88.A O no hydrogen 2.774 N/A LYS 93.A N ARG 90.A O no hydrogen 2.931 N/A LEU 94.A N VAL 89.A O no hydrogen 3.147 N/A CYS 97.A N ALA 43.A O no hydrogen 3.135 N/A CYS 97.A SG GLU 95.A O no hydrogen 3.496 N/A TYR 98.A N TRP 126.A O no hydrogen 2.806 N/A LEU 99.A N VAL 41.A O no hydrogen 2.628 N/A ARG 100.A N ALA 124.A O no hydrogen 2.896 N/A ARG 100.A NE GLU 39.A O no hydrogen 3.254 N/A ARG 100.A NH2 TYR 98.A OH no hydrogen 2.957 N/A ILE 102.A N ALA 122.A O no hydrogen 2.830 N/A ILE 103.A N VAL 37.A O no hydrogen 2.722 N/A TRP 104.A N HIS 120.A O no hydrogen 3.025 N/A ILE 105.A N THR 30.A OG1 no hydrogen 2.834 N/A GLY 106.A N THR 118.A O no hydrogen 2.896 N/A SER 107.A OG LEU 27.A O no hydrogen 3.246 N/A SER 107.A OG THR 28.A OG1 no hydrogen 3.175 N/A GLU 108.A N GLU 108.A OE1 no hydrogen 2.853 N/A LYS 109.A N ASN 117.A OD1 no hydrogen 2.810 N/A ALA 114.A N GLY 111.A O no hydrogen 3.252 N/A ASN 117.A ND2 LYS 109.A O no hydrogen 2.816 N/A THR 118.A N GLU 108.A OE1 no hydrogen 2.927 N/A THR 118.A OG1 GLU 108.A OE2 no hydrogen 2.585 N/A HIS 120.A N TRP 104.A O no hydrogen 2.933 N/A HIS 120.A ND1 ASP 13.A OD2 no hydrogen 2.687 N/A VAL 121.A N ASP 13.A OD1 no hydrogen 2.860 N/A ALA 122.A N ILE 102.A O no hydrogen 2.962 N/A ILE 123.A N TRP 11.A O no hydrogen 2.823 N/A ALA 124.A N ARG 100.A O no hydrogen 3.165 N/A TRP 126.A N TYR 98.A O no hydrogen 3.008 N/A TRP 128.A N SER 96.A O no hydrogen 3.223 N/A LEU 133.A N GLY 129.A O no hydrogen 3.370 N/A ALA 134.A N GLU 130.A O no hydrogen 3.332 N/A ALA 134.A N GLU 131.A O no hydrogen 3.088 N/A LYS 135.A N GLU 131.A O no hydrogen 2.698 N/A GLY 136.A N GLY 132.A O no hydrogen 2.808 N/A ILE 137.A N PRO 260.A O no hydrogen 2.969 N/A ARG 138.A N ASP 178.A OD2 no hydrogen 2.937 N/A ARG 138.A NE GLU 263.A OE1 no hydrogen 2.784 N/A ARG 138.A NH2 ASN 266.A OD1 no hydrogen 3.122 N/A VAL 139.A N GLU 263.A O no hydrogen 2.912 N/A LYS 140.A N GLU 179.A O no hydrogen 3.050 N/A LYS 140.A NZ THR 141.A O no hydrogen 2.831 N/A LYS 140.A NZ ASP 265.A OD1 no hydrogen 3.368 N/A THR 141.A N ASP 265.A OD1 no hydrogen 2.684 N/A THR 141.A OG1 ASP 265.A OD1 no hydrogen 3.385 N/A THR 141.A OG1 ASP 265.A OD2 no hydrogen 2.676 N/A SER 142.A N LEU 181.A O no hydrogen 2.821 N/A SER 142.A OG GLU 171.A OE1 no hydrogen 2.806 N/A SER 143.A N GLU 171.A OE1 no hydrogen 2.864 N/A SER 143.A OG GLU 171.A OE1 no hydrogen 3.430 N/A SER 143.A OG GLU 171.A OE2 no hydrogen 2.479 N/A PHE 144.A N SER 142.A OG no hydrogen 3.054 N/A ARG 146.A N LEU 183.A O no hydrogen 2.814 N/A ARG 146.A NE GLU 191.A OE2 no hydrogen 2.921 N/A ARG 146.A NH1 ASN 164.A OD1 no hydrogen 2.716 N/A ARG 146.A NH1 SER 165.A OG no hydrogen 2.961 N/A ARG 146.A NH2 SER 165.A OG no hydrogen 3.363 N/A ARG 146.A NH2 GLU 191.A OE2 no hydrogen 3.192 N/A ARG 146.A NH2 SER 193.A O no hydrogen 3.339 N/A HIS 147.A ND1 SER 152.A OG no hydrogen 3.124 N/A HIS 147.A NE2 TRP 161.A O.A no hydrogen 2.807 N/A HIS 147.A NE2 TRP 161.A O.B no hydrogen 2.884 N/A ASN 150.A N HIS 148.A ND1 no hydrogen 3.092 N/A VAL 151.A N HIS 148.A O no hydrogen 2.927 N/A SER 152.A N HIS 148.A O no hydrogen 3.010 N/A SER 152.A OG HIS 147.A ND1 no hydrogen 3.124 N/A ARG 155.A NH1 LEU 210.A O no hydrogen 2.440 N/A ALA 156.A N MET 153.A O no hydrogen 3.061 N/A LYS 157.A N SER 66.A OG no hydrogen 2.985 N/A SER 159.A N GLY 36.A O no hydrogen 2.990 N/A GLY 160.A N GLY 34.A O no hydrogen 3.147 N/A TRP 161.A N.A ALA 158.A O no hydrogen 2.994 N/A TRP 161.A N.B ALA 158.A O no hydrogen 3.012 N/A TRP 161.A NE1.B MET 153.A O no hydrogen 3.002 N/A TYR 162.A N SER 159.A O no hydrogen 3.137 N/A VAL 163.A N GLY 160.A O no hydrogen 3.493 N/A ASN 164.A ND2 THR 145.A O no hydrogen 2.808 N/A SER 165.A OG SER 193.A O no hydrogen 2.908 N/A ILE 166.A N TYR 162.A O no hydrogen 2.913 N/A LEU 167.A N VAL 163.A O no hydrogen 3.014 N/A ALA 168.A N ASN 164.A O no hydrogen 2.965 N/A ASN 169.A N SER 165.A O no hydrogen 2.854 N/A GLN 170.A N ILE 166.A O no hydrogen 2.779 N/A GLU 171.A N LEU 167.A O no hydrogen 3.182 N/A ALA 172.A N ALA 168.A O no hydrogen 3.220 N/A THR 173.A N ASN 169.A O no hydrogen 3.049 N/A THR 173.A OG1 ASN 169.A O no hydrogen 2.868 N/A THR 173.A OG1 GLN 170.A O no hydrogen 3.451 N/A ALA 174.A N GLN 170.A O no hydrogen 2.907 N/A GLY 176.A N THR 173.A O no hydrogen 2.931 N/A TYR 177.A N ALA 172.A O no hydrogen 2.845 N/A ASP 178.A N ARG 138.A O no hydrogen 2.811 N/A LEU 181.A N LYS 140.A O no hydrogen 3.049 N/A LEU 182.A N GLU 191.A O no hydrogen 2.795 N/A ASP 184.A N TYR 188.A O no hydrogen 2.787 N/A ASP 186.A N ASP 184.A OD1 no hydrogen 2.661 N/A GLY 187.A N ASP 184.A O no hydrogen 2.959 N/A TYR 188.A N ASP 184.A OD1 no hydrogen 3.188 N/A VAL 189.A N ILE 238.A O no hydrogen 2.816 N/A SER 190.A N LEU 182.A O no hydrogen 2.867 N/A SER 190.A OG SER 212.A OG no hydrogen 2.725 N/A GLU 191.A N LEU 182.A O no hydrogen 3.372 N/A GLY 192.A N GLU 195.A O no hydrogen 2.948 N/A GLY 194.A N GLU 195.A OE1 no hydrogen 2.894 N/A ASN 196.A N THR 252.A O no hydrogen 2.782 N/A ASN 196.A ND2 LEU 214.A O no hydrogen 3.152 N/A PHE 198.A N PHE 250.A O no hydrogen 2.843 N/A LEU 199.A N TYR 206.A O no hydrogen 2.948 N/A VAL 200.A N GLU 248.A O no hydrogen 2.907 N/A ASN 201.A N LYS 204.A O no hydrogen 2.942 N/A ARG 202.A N ASP 247.A OD2 no hydrogen 2.993 N/A LYS 204.A N ASN 201.A O no hydrogen 3.023 N/A LEU 205.A N GLU 232.A O no hydrogen 2.935 N/A TYR 206.A N LEU 199.A O no hydrogen 2.729 N/A THR 207.A N ILE 234.A O no hydrogen 3.069 N/A THR 207.A OG1 PHE 197.A O no hydrogen 2.707 N/A ALA 211.A N ASP 209.A O no hydrogen 2.822 N/A SER 212.A OG SER 190.A OG no hydrogen 2.725 N/A CYS 213.A SG ASP 209.A O no hydrogen 3.759 N/A CYS 213.A SG LEU 214.A O no hydrogen 3.591 N/A LEU 214.A N GLU 191.A OE1 no hydrogen 3.051 N/A ARG 219.A NH2 PRO 208.A O no hydrogen 3.238 N/A ARG 219.A NH2 GLU 235.A OE2 no hydrogen 2.751 N/A ASP 220.A N GLY 216.A O no hydrogen 2.945 N/A THR 221.A N ILE 217.A O no hydrogen 2.872 N/A THR 221.A OG1 ILE 217.A O no hydrogen 2.803 N/A VAL 222.A N THR 218.A O no hydrogen 2.787 N/A ILE 223.A N ARG 219.A O no hydrogen 2.917 N/A THR 224.A N ASP 220.A O no hydrogen 2.992 N/A THR 224.A OG1 ASP 220.A O no hydrogen 3.077 N/A LEU 225.A N THR 221.A O no hydrogen 2.991 N/A ALA 226.A N VAL 222.A O no hydrogen 2.894 N/A LYS 227.A N ILE 223.A O no hydrogen 3.025 N/A GLU 228.A N THR 224.A O no hydrogen 2.925 N/A ALA 229.A N LEU 225.A O no hydrogen 2.865 N/A GLY 230.A N LYS 227.A O no hydrogen 2.969 N/A ILE 231.A N ALA 226.A O no hydrogen 3.022 N/A ILE 234.A N LEU 205.A O no hydrogen 2.834 N/A LYS 236.A N THR 207.A O no hydrogen 3.015 N/A LYS 236.A NZ ARG 237.A O no hydrogen 2.708 N/A LYS 236.A NZ GLU 242.A OE1 no hydrogen 2.862 N/A LYS 236.A NZ GLU 242.A OE2 no hydrogen 2.733 N/A THR 239.A N GLU 242.A OE1 no hydrogen 2.921 N/A THR 239.A OG1 ASP 241.A OD1 no hydrogen 2.740 N/A ARG 240.A NE TYR 244.A OH no hydrogen 2.945 N/A ARG 240.A NH2 TYR 244.A OH no hydrogen 3.274 N/A ARG 240.A NH2 ASP 265.A OD2 no hydrogen 2.809 N/A GLU 242.A N THR 239.A O no hydrogen 2.885 N/A GLU 242.A N THR 239.A OG1 no hydrogen 3.166 N/A VAL 243.A N THR 239.A O no hydrogen 3.433 N/A VAL 243.A N ARG 240.A O no hydrogen 3.096 N/A TYR 244.A N ARG 240.A O no hydrogen 3.356 N/A TYR 244.A OH ASP 265.A OD2 no hydrogen 2.537 N/A THR 245.A OG1 ASP 241.A O no hydrogen 3.014 N/A THR 245.A OG1 GLU 242.A O no hydrogen 3.408 N/A ALA 246.A N VAL 243.A O no hydrogen 2.935 N/A ASP 247.A N VAL 200.A O no hydrogen 3.056 N/A GLU 248.A N VAL 200.A O no hydrogen 3.345 N/A PHE 250.A N PHE 198.A O no hydrogen 2.861 N/A PHE 251.A N THR 259.A O no hydrogen 2.903 N/A THR 252.A N ASN 196.A O no hydrogen 2.745 N/A GLY 253.A N GLU 257.A O no hydrogen 3.179 N/A GLU 257.A N GLY 253.A O no hydrogen 2.660 N/A THR 259.A N PHE 251.A O no hydrogen 3.085 N/A THR 259.A OG1 ALA 256.A O no hydrogen 2.866 N/A ILE 261.A N ALA 249.A O no hydrogen 2.873 N/A ARG 262.A N ILE 137.A O no hydrogen 2.871 N/A ARG 262.A NE GLY 136.A O no hydrogen 3.140 N/A LEU 264.A N ARG 267.A O no hydrogen 3.096 N/A ASP 265.A N VAL 139.A O no hydrogen 3.002 N/A ASN 266.A ND2 TYR 177.A OH no hydrogen 3.015 N/A ARG 267.A N LEU 264.A O no hydrogen 2.753 N/A ARG 267.A NH1 ASP 265.A O no hydrogen 2.925 N/A ILE 269.A N ARG 262.A O no hydrogen 2.965 N/A GLY 272.A N ILE 269.A O no hydrogen 2.958 N/A ARG 274.A NH1 LEU 133.A O no hydrogen 3.555 N/A ARG 274.A NH1 GLN 282.A OE1 no hydrogen 2.796 N/A ILE 277.A N GLU 248.A OE1 no hydrogen 3.039 N/A THR 278.A N GLU 248.A OE2 no hydrogen 2.867 N/A THR 278.A OG1 GLU 248.A OE2 no hydrogen 2.726 N/A GLU 279.A N GLY 275.A O no hydrogen 2.808 N/A LYS 280.A N PRO 276.A O no hydrogen 3.094 N/A LEU 281.A N ILE 277.A O no hydrogen 2.797 N/A GLN 282.A N THR 278.A O no hydrogen 2.757 N/A GLN 282.A NE2 LEU 133.A O no hydrogen 3.058 N/A GLN 282.A NE2 VAL 258.A O no hydrogen 2.629 N/A SER 283.A N GLU 279.A O no hydrogen 2.869 N/A SER 283.A OG GLU 279.A O no hydrogen 2.884 N/A ALA 284.A N LYS 280.A O no hydrogen 3.068 N/A PHE 285.A N LEU 281.A O no hydrogen 2.888 N/A PHE 286.A N GLN 282.A O no hydrogen 3.031 N/A ASP 287.A N SER 283.A O no hydrogen 3.108 N/A VAL 288.A N ALA 284.A O no hydrogen 3.192 N/A VAL 289.A N PHE 285.A O no hydrogen 3.072 N/A ASN 290.A N PHE 286.A O no hydrogen 3.034 N/A LYS 292.A N ASP 287.A O no hydrogen 2.830 N/A LYS 295.A NZ GLU 228.A OE2 no hydrogen 3.265 N/A HIS 296.A N SER 293.A OG no hydrogen 2.902 N/A HIS 296.A NE2 GLU 228.A OE1 no hydrogen 2.919 N/A ALA 297.A N ALA 294.A O no hydrogen 3.476 N/A TRP 299.A N HIS 296.A O no hydrogen 2.991 N/A LEU 300.A N ALA 297.A O no hydrogen 3.078 N/A THR 301.A N ILE 53.A O no hydrogen 2.973 N/A ILE 303.A N THR 51.A O no hydrogen 2.780 N/A