Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3bjx_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 9.A N SER 7.A OG no hydrogen 3.322 N/A VAL 10.A N SER 7.A O no hydrogen 3.485 N/A SER 14.A N PRO 11.A O no hydrogen 3.285 N/A SER 14.A OG PRO 11.A O no hydrogen 2.870 N/A THR 16.A OG1 SER 14.A O no hydrogen 2.421 N/A ASN 17.A N HIS 15.A O no hydrogen 3.117 N/A ASN 17.A ND2 ALA 173.A O no hydrogen 2.654 N/A ALA 19.A N ASN 17.A OD1 no hydrogen 3.241 N/A TYR 20.A N ASN 17.A O no hydrogen 3.095 N/A GLN 23.A NE2 PHE 21.A O no hydrogen 2.873 N/A LEU 24.A N ARG 53.A O no hydrogen 2.867 N/A ASP 28.A N SER 25.A OG no hydrogen 3.198 N/A VAL 29.A N SER 25.A O no hydrogen 3.119 N/A SER 34.A N GLY 31.A O no hydrogen 3.216 N/A THR 35.A N GLU 32.A O no hydrogen 2.807 N/A THR 35.A OG1 GLU 32.A O no hydrogen 3.089 N/A TYR 36.A OH LEU 24.A O no hydrogen 2.668 N/A GLU 37.A N GLU 33.A O no hydrogen 3.215 N/A ASP 38.A N SER 34.A O no hydrogen 2.856 N/A ILE 39.A N THR 35.A O no hydrogen 2.690 N/A ARG 40.A N TYR 36.A O no hydrogen 3.160 N/A ARG 40.A NH1 GLN 26.A OE1 no hydrogen 2.934 N/A ARG 40.A NH2 GLU 37.A OE1 no hydrogen 3.106 N/A LEU 41.A N GLU 37.A O no hydrogen 3.024 N/A THR 42.A N ASP 38.A O no hydrogen 2.900 N/A THR 42.A OG1 ASP 38.A O no hydrogen 2.697 N/A THR 42.A OG1 ASP 38.A OD1 no hydrogen 3.340 N/A LEU 43.A N ILE 39.A O no hydrogen 2.897 N/A ARG 44.A NH1 TYR 125.A OH no hydrogen 2.739 N/A ARG 44.A NH1 PHE 301.A O no hydrogen 3.068 N/A VAL 45.A N ARG 40.A O no hydrogen 2.977 N/A VAL 48.A N GLN 26.A OE1 no hydrogen 2.930 N/A ALA 49.A N TYR 130.A OH no hydrogen 3.351 N/A ARG 53.A N ALA 49.A O no hydrogen 3.016 N/A ARG 53.A NE GLN 23.A OE1 no hydrogen 2.751 N/A ARG 53.A NH1 VAL 48.A O no hydrogen 2.659 N/A ARG 53.A NH1 SER 198.A OG no hydrogen 2.888 N/A ARG 53.A NH2 GLN 23.A OE1 no hydrogen 2.849 N/A ARG 53.A NH2 GLN 201.A OE1 no hydrogen 2.977 N/A VAL 54.A N PHE 50.A O no hydrogen 3.018 N/A LEU 55.A N GLY 51.A O no hydrogen 3.134 N/A ALA 56.A N CYS 52.A O no hydrogen 2.753 N/A THR 57.A N VAL 54.A O no hydrogen 3.086 N/A THR 57.A OG1 VAL 54.A O no hydrogen 2.668 N/A PHE 58.A N LEU 55.A O no hydrogen 3.044 N/A TYR 61.A N PHE 58.A O no hydrogen 3.300 N/A ALA 65.A N TYR 61.A O no hydrogen 2.772 N/A TRP 66.A N LEU 62.A O no hydrogen 2.772 N/A TRP 66.A NE1 ASP 38.A OD2 no hydrogen 3.046 N/A ARG 67.A N PRO 63.A O no hydrogen 3.129 N/A ARG 68.A N LEU 64.A O no hydrogen 3.162 N/A ARG 68.A NH1 GLU 255.A OE2 no hydrogen 2.963 N/A ARG 68.A NH2 GLU 255.A OE1 no hydrogen 2.740 N/A ARG 68.A NH2 GLU 255.A OE2 no hydrogen 2.766 N/A SER 69.A N TRP 66.A O no hydrogen 3.128 N/A SER 69.A OG ALA 65.A O no hydrogen 2.840 N/A ALA 70.A N TRP 66.A O no hydrogen 2.877 N/A ALA 72.A N SER 69.A O no hydrogen 3.191 N/A LEU 73.A N SER 69.A O no hydrogen 3.137 N/A LEU 73.A N ALA 70.A O no hydrogen 3.273 N/A THR 75.A N ALA 72.A O no hydrogen 3.469 N/A THR 75.A OG1 ALA 72.A O no hydrogen 2.923 N/A ARG 76.A N ALA 155.A O no hydrogen 2.876 N/A TYR 77.A N LEU 153.A O no hydrogen 2.931 N/A TYR 77.A OH LEU 241.A O no hydrogen 2.821 N/A ALA 78.A N THR 75.A OG1 no hydrogen 2.991 N/A GLU 79.A N THR 75.A O no hydrogen 3.143 N/A GLN 80.A N ARG 76.A O no hydrogen 2.833 N/A ALA 81.A N TYR 77.A O no hydrogen 2.826 N/A ALA 82.A N ALA 78.A O no hydrogen 2.931 N/A ASP 83.A N GLU 79.A O no hydrogen 2.795 N/A GLU 84.A N GLN 80.A O no hydrogen 2.890 N/A LEU 85.A N ALA 81.A O no hydrogen 3.174 N/A ARG 86.A N ALA 82.A O no hydrogen 2.926 N/A ARG 86.A NE ASN 124.A O no hydrogen 2.782 N/A ARG 86.A NH1 ASP 83.A OD1 no hydrogen 2.961 N/A ARG 86.A NH2 TYR 125.A O no hydrogen 3.019 N/A GLU 87.A N ASP 83.A O no hydrogen 3.064 N/A ARG 88.A N GLU 84.A O no hydrogen 2.857 N/A ARG 88.A NE GLU 84.A OE2 no hydrogen 2.935 N/A ARG 88.A NH1 GLU 233.A OE2 no hydrogen 3.097 N/A ARG 88.A NH2 GLU 84.A OE2 no hydrogen 3.025 N/A SER 89.A N LEU 85.A O no hydrogen 3.168 N/A SER 89.A OG LEU 85.A O no hydrogen 2.809 N/A SER 89.A OG ARG 86.A O no hydrogen 3.420 N/A LEU 99.A N CYS 289.A O no hydrogen 3.048 N/A GLU 101.A N ASN 98.A OD1 no hydrogen 2.784 N/A ARG 102.A N ASN 98.A O no hydrogen 3.193 N/A ARG 102.A NE GLU 216.A OE1 no hydrogen 2.752 N/A ARG 102.A NH1 ARG 102.A O no hydrogen 2.984 N/A ARG 102.A NH2 GLU 216.A OE2 no hydrogen 2.892 N/A LEU 103.A N LEU 99.A O no hydrogen 2.932 N/A TYR 104.A N LYS 100.A O no hydrogen 2.917 N/A TYR 104.A OH ASP 110.A OD1 no hydrogen 2.493 N/A ALA 105.A N GLU 101.A O no hydrogen 2.987 N/A ALA 106.A N ARG 102.A O no hydrogen 3.034 N/A GLY 107.A N TYR 104.A O no hydrogen 2.446 N/A ASP 109.A N GLU 112.A OE1 no hydrogen 2.804 N/A GLU 112.A N ASP 109.A O no hydrogen 3.131 N/A ILE 113.A N ASP 109.A O no hydrogen 3.079 N/A GLU 114.A N ASP 110.A O no hydrogen 2.961 N/A VAL 116.A N GLU 112.A O no hydrogen 3.170 N/A ARG 117.A N ILE 113.A O no hydrogen 2.891 N/A ARG 117.A NE ASP 291.A OD1 no hydrogen 3.193 N/A ARG 117.A NE ASP 291.A OD2 no hydrogen 3.095 N/A ARG 117.A NH1 GLU 114.A OE1 no hydrogen 3.242 N/A ARG 117.A NH2 ASP 291.A OD1 no hydrogen 2.762 N/A ARG 118.A N GLU 114.A O no hydrogen 2.898 N/A ARG 118.A NH1 ASP 165.A OD2 no hydrogen 2.720 N/A ARG 118.A NH2 ASP 165.A OD2 no hydrogen 3.238 N/A VAL 119.A N LYS 115.A O no hydrogen 3.440 N/A LEU 120.A N VAL 116.A O no hydrogen 2.851 N/A TYR 121.A N ARG 117.A O no hydrogen 2.890 N/A TYR 121.A OH ASP 291.A OD2 no hydrogen 2.395 N/A ALA 122.A N ARG 118.A O no hydrogen 3.147 N/A PHE 123.A N VAL 119.A O no hydrogen 3.248 N/A ASN 124.A N LEU 120.A O no hydrogen 2.882 N/A ASN 124.A ND2 THR 287.A OG1 no hydrogen 2.820 N/A TYR 125.A N TYR 121.A O no hydrogen 3.029 N/A TYR 125.A OH GLU 79.A OE2 no hydrogen 2.654 N/A GLY 126.A N ALA 122.A O no hydrogen 3.196 N/A ASN 127.A N PHE 123.A O no hydrogen 2.787 N/A ASN 127.A ND2 ASP 199.A OD2 no hydrogen 2.922 N/A LYS 129.A NZ LEU 43.A O no hydrogen 3.183 N/A LYS 129.A NZ GLU 79.A OE1 no hydrogen 2.783 N/A LYS 129.A NZ TYR 125.A OH no hydrogen 3.189 N/A TYR 130.A N GLY 126.A O no hydrogen 2.871 N/A TYR 130.A OH TRP 47.A O no hydrogen 2.749 N/A LEU 131.A N ASN 127.A O no hydrogen 3.022 N/A LEU 132.A N PRO 128.A O no hydrogen 3.250 N/A LEU 132.A N LYS 129.A O no hydrogen 3.054 N/A LEU 133.A N LYS 129.A O no hydrogen 3.163 N/A ILE 134.A N TYR 130.A O no hydrogen 2.991 N/A THR 135.A N LEU 131.A O no hydrogen 3.110 N/A THR 135.A OG1 LEU 131.A O no hydrogen 2.406 N/A ALA 136.A N LEU 132.A O no hydrogen 2.652 N/A LEU 137.A N LEU 133.A O no hydrogen 2.865 N/A SER 138.A N ILE 134.A O no hydrogen 2.773 N/A SER 138.A OG GLN 273.A OE1 no hydrogen 2.806 N/A GLU 139.A N THR 135.A O no hydrogen 2.933 N/A SER 140.A N ALA 136.A O no hydrogen 3.282 N/A SER 140.A OG ALA 136.A O no hydrogen 2.869 N/A SER 140.A OG LEU 137.A O no hydrogen 3.391 N/A SER 140.A OG VAL 251.A O no hydrogen 3.491 N/A ARG 142.A NE GLU 139.A OE2 no hydrogen 2.618 N/A ARG 142.A NH2 GLU 139.A OE2 no hydrogen 3.490 N/A ARG 142.A NH2 GLN 141.A OE1 no hydrogen 2.704 N/A GLY 145.A N VAL 242.A O no hydrogen 3.024 N/A GLY 146.A N GLY 247.A O no hydrogen 2.682 N/A ALA 147.A N LEU 245.A O no hydrogen 3.105 N/A LEU 153.A N SER 150.A O no hydrogen 3.251 N/A ARG 154.A N SER 150.A O no hydrogen 3.256 N/A ARG 154.A NE VAL 149.A O no hydrogen 3.303 N/A ARG 154.A NH2 VAL 149.A O no hydrogen 3.501 N/A ALA 155.A N SER 151.A O no hydrogen 2.912 N/A ILE 157.A N ILE 74.A O no hydrogen 2.805 N/A LYS 159.A NZ ASP 38.A OD1 no hydrogen 2.799 N/A GLY 160.A N LEU 41.A O no hydrogen 2.880 N/A HIS 161.A NE2 VAL 45.A O no hydrogen 2.694 N/A LEU 168.A N PRO 46.A O no hydrogen 3.000 N/A VAL 171.A N GLN 201.A O no hydrogen 2.924 N/A THR 174.A N ASP 172.A OD1 no hydrogen 2.827 N/A THR 174.A OG1 ASP 172.A OD1 no hydrogen 2.714 N/A THR 174.A OG1 ASP 172.A OD2 no hydrogen 3.105 N/A LYS 175.A N ASP 172.A O no hydrogen 3.212 N/A LYS 175.A NZ ASP 172.A OD2 no hydrogen 3.235 N/A GLN 181.A N SER 177.A O no hydrogen 2.860 N/A GLN 181.A NE2 ALA 176.A O no hydrogen 2.756 N/A GLY 182.A N THR 178.A O no hydrogen 2.882 N/A LEU 183.A N GLU 179.A O no hydrogen 2.917 N/A LEU 184.A N VAL 180.A O no hydrogen 2.940 N/A LYS 185.A N GLN 181.A O no hydrogen 2.984 N/A LYS 185.A NZ ASP 189.A OD1 no hydrogen 2.813 N/A ARG 186.A N GLY 182.A O no hydrogen 2.970 N/A ARG 186.A NE ASP 215.A OD1 no hydrogen 2.879 N/A ARG 186.A NH2 ASP 215.A OD1 no hydrogen 3.019 N/A VAL 187.A N LEU 183.A O no hydrogen 3.235 N/A ALA 188.A N LEU 184.A O no hydrogen 3.193 N/A ASP 189.A N LYS 185.A O no hydrogen 2.872 N/A LEU 190.A N ARG 186.A O no hydrogen 2.854 N/A HIS 191.A N ALA 188.A O no hydrogen 3.162 N/A HIS 191.A ND1 VAL 187.A O no hydrogen 2.662 N/A HIS 191.A NE2 SER 282.A OG no hydrogen 2.667 N/A TYR 192.A N ASP 189.A O no hydrogen 2.798 N/A HIS 193.A N ALA 188.A O no hydrogen 2.822 N/A HIS 193.A NE2 ASP 278.A OD2 no hydrogen 2.878 N/A HIS 194.A NE2 TYR 272.A OH no hydrogen 2.837 N/A PHE 200.A N ALA 197.A O no hydrogen 2.858 N/A GLN 201.A N ALA 197.A O no hydrogen 3.147 N/A GLN 201.A NE2 VAL 171.A O no hydrogen 2.906 N/A ALA 202.A N SER 198.A O no hydrogen 3.003 N/A LEU 203.A N ASP 199.A O no hydrogen 3.303 N/A ALA 204.A N PHE 200.A O no hydrogen 3.001 N/A ASN 205.A N ALA 202.A O no hydrogen 3.454 N/A ASN 205.A ND2 PRO 169.A O no hydrogen 2.821 N/A ASN 205.A ND2 ALA 202.A O no hydrogen 2.817 N/A TRP 206.A N LEU 203.A O no hydrogen 2.658 N/A LYS 208.A NZ ALA 106.A O no hydrogen 3.456 N/A LEU 210.A N TRP 206.A O no hydrogen 3.185 N/A GLN 211.A N PRO 207.A O no hydrogen 3.019 N/A ILE 212.A N LYS 208.A O no hydrogen 3.055 N/A VAL 213.A N VAL 209.A O no hydrogen 2.905 N/A THR 214.A N LEU 210.A O no hydrogen 2.920 N/A THR 214.A OG1 LEU 210.A O no hydrogen 2.796 N/A ASP 215.A N GLN 211.A O no hydrogen 2.842 N/A GLU 216.A N ILE 212.A O no hydrogen 2.922 N/A VAL 217.A N ILE 212.A O no hydrogen 3.292 N/A LEU 218.A N VAL 213.A O no hydrogen 2.719 N/A VAL 221.A N LEU 218.A O no hydrogen 3.034 N/A ALA 222.A N LEU 218.A O no hydrogen 2.818 N/A ARG 223.A NE ASP 228.A OD1 no hydrogen 2.708 N/A ARG 223.A NH1 HIS 191.A O no hydrogen 2.782 N/A ARG 223.A NH1 ASP 278.A OD2 no hydrogen 2.789 N/A ARG 223.A NH2 ASP 228.A OD1 no hydrogen 2.943 N/A ARG 223.A NH2 ASP 278.A OD1 no hydrogen 3.050 N/A ARG 223.A NH2 ASP 278.A OD2 no hydrogen 3.529 N/A THR 224.A N VAL 221.A O no hydrogen 3.263 N/A THR 224.A OG1 VAL 221.A O no hydrogen 2.629 N/A GLN 226.A NE2 ASN 92.A O no hydrogen 3.151 N/A TYR 227.A N THR 224.A OG1 no hydrogen 3.416 N/A TYR 227.A OH SER 282.A OG no hydrogen 2.763 N/A ASP 228.A N THR 224.A O no hydrogen 2.799 N/A ALA 229.A N GLU 225.A O no hydrogen 2.822 N/A LYS 230.A N GLN 226.A O no hydrogen 3.063 N/A LYS 230.A NZ ARG 88.A O no hydrogen 2.901 N/A LYS 230.A NZ GLU 233.A OE1 no hydrogen 3.290 N/A LYS 230.A NZ GLU 233.A OE2 no hydrogen 3.444 N/A SER 231.A N TYR 227.A O no hydrogen 3.014 N/A SER 231.A OG ASP 278.A OD1 no hydrogen 2.695 N/A ARG 232.A N ASP 228.A O no hydrogen 2.950 N/A GLU 233.A N ALA 229.A O no hydrogen 3.100 N/A LEU 234.A N LYS 230.A O no hydrogen 3.077 N/A VAL 235.A N SER 231.A O no hydrogen 2.895 N/A THR 236.A N ARG 232.A O no hydrogen 2.974 N/A THR 236.A OG1 ARG 232.A O no hydrogen 2.800 N/A ARG 237.A N GLU 233.A O no hydrogen 2.886 N/A ARG 237.A NE GLU 84.A OE2 no hydrogen 2.711 N/A ARG 237.A NH1 GLU 240.A OE1 no hydrogen 2.906 N/A ARG 237.A NH2 GLU 84.A OE1 no hydrogen 2.836 N/A ARG 237.A NH2 GLU 84.A OE2 no hydrogen 3.262 N/A ALA 238.A N LEU 234.A O no hydrogen 2.875 N/A ARG 239.A N VAL 235.A O no hydrogen 3.143 N/A ARG 239.A NE GLU 139.A OE1 no hydrogen 2.972 N/A ARG 239.A NH2 GLU 139.A OE1 no hydrogen 3.445 N/A GLU 240.A N THR 236.A O no hydrogen 3.092 N/A LEU 241.A N ARG 237.A O no hydrogen 2.841 N/A VAL 242.A N ALA 238.A O no hydrogen 2.974 N/A ARG 243.A N ARG 239.A O no hydrogen 3.385 N/A ARG 243.A NH1 PRO 143.A O no hydrogen 2.585 N/A ARG 243.A NH2 GLU 139.A OE2 no hydrogen 2.939 N/A GLY 244.A N GLU 240.A O no hydrogen 3.242 N/A LEU 245.A N VAL 242.A O no hydrogen 3.350 N/A GLY 250.A N SER 69.A OG no hydrogen 2.812 N/A GLN 252.A NE2 ARG 142.A O no hydrogen 3.555 N/A GLU 255.A N GLN 252.A O no hydrogen 3.065 N/A LEU 256.A N ARG 253.A O no hydrogen 3.239 N/A THR 259.A N GLU 262.A OE1 no hydrogen 2.838 N/A GLU 262.A N THR 259.A OG1 no hydrogen 3.196 N/A LEU 263.A N THR 259.A O no hydrogen 2.937 N/A ALA 264.A N PRO 260.A O no hydrogen 2.918 N/A GLY 265.A N ASN 261.A O no hydrogen 2.972 N/A LEU 266.A N GLU 262.A O no hydrogen 2.759 N/A THR 267.A N LEU 263.A O no hydrogen 3.066 N/A THR 267.A OG1 LEU 263.A O no hydrogen 2.610 N/A GLY 268.A N ALA 264.A O no hydrogen 3.107 N/A VAL 269.A N GLY 265.A O no hydrogen 2.771 N/A LEU 270.A N LEU 266.A O no hydrogen 2.994 N/A PHE 271.A N THR 267.A O no hydrogen 3.103 N/A GLN 273.A N LEU 270.A O no hydrogen 3.071 N/A ARG 274.A NH1 PHE 271.A O no hydrogen 3.354 N/A ILE 276.A N TYR 272.A O no hydrogen 2.997 N/A ALA 277.A N GLN 273.A O no hydrogen 3.166 N/A ASP 278.A N ARG 274.A O no hydrogen 2.868 N/A ILE 279.A N PHE 275.A O no hydrogen 2.842 N/A THR 280.A N ILE 276.A O no hydrogen 2.612 N/A THR 280.A OG1 ILE 276.A O no hydrogen 2.952 N/A ILE 281.A N ALA 277.A O no hydrogen 3.064 N/A SER 282.A N ASP 278.A O no hydrogen 2.980 N/A SER 282.A OG HIS 191.A NE2 no hydrogen 2.667 N/A SER 282.A OG TYR 227.A OH no hydrogen 2.763 N/A SER 282.A OG ASP 278.A O no hydrogen 3.224 N/A ILE 283.A N ILE 279.A O no hydrogen 3.171 N/A ILE 284.A N THR 280.A O no hydrogen 3.335 N/A HIS 285.A N ILE 281.A O no hydrogen 2.873 N/A ILE 286.A N SER 282.A O no hydrogen 2.999 N/A THR 287.A N ILE 283.A O no hydrogen 2.895 N/A THR 287.A OG1 ILE 283.A O no hydrogen 2.624 N/A GLU 288.A N ILE 284.A O no hydrogen 2.854 N/A CYS 289.A N HIS 285.A O no hydrogen 3.096 N/A CYS 289.A SG HIS 285.A NE2 no hydrogen 4.038 N/A CYS 289.A SG HIS 285.A O no hydrogen 3.604 N/A LEU 290.A N ILE 286.A O no hydrogen 3.119 N/A LEU 290.A N THR 287.A O no hydrogen 3.087 N/A ASP 291.A N THR 287.A O no hydrogen 2.795 N/A GLY 292.A N GLU 288.A O no hydrogen 2.870 N/A ALA 296.A N GLY 292.A O no hydrogen 3.048 N/A SER 297.A N ALA 293.A O no hydrogen 3.203 N/A SER 297.A OG ALA 293.A O no hydrogen 2.859 N/A LYS 298.A N GLU 294.A O no hydrogen 3.064 N/A ILE 303.A N PHE 301.A O no hydrogen 3.524 N/A