Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2pdk_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 4.A N MET 12.A O no hydrogen 2.889 N/A LEU 6.A N ALA 10.A O no hydrogen 2.907 N/A ASN 8.A ND2 LYS 154.A O no hydrogen 3.039 N/A GLY 9.A N LEU 6.A O no hydrogen 3.074 N/A ALA 10.A N ASN 8.A OD1 no hydrogen 2.930 N/A MET 12.A N ILE 4.A O no hydrogen 2.801 N/A ILE 14.A N SER 2.A O no hydrogen 3.028 N/A GLY 16.A N VAL 259.A O no hydrogen 2.883 N/A LEU 17.A N HIS 41.A O no hydrogen 2.794 N/A GLY 18.A N PRO 261.A O no hydrogen 2.981 N/A THR 19.A OG1 ASP 43.A O no hydrogen 2.696 N/A LYS 21.A NZ TRP 20.A O no hydrogen 2.786 N/A LYS 21.A NZ ASP 216.A OD1 no hydrogen 3.023 N/A LYS 21.A NZ ASP 216.A OD2 no hydrogen 3.081 N/A SER 22.A N THR 19.A O no hydrogen 3.182 N/A GLN 26.A N PRO 23.A O no hydrogen 2.847 N/A VAL 27.A N PRO 23.A O no hydrogen 2.883 N/A THR 28.A OG1 GLU 53.A O no hydrogen 2.797 N/A ALA 30.A N GLN 26.A O no hydrogen 3.057 N/A VAL 31.A N VAL 27.A O no hydrogen 2.938 N/A LYS 32.A N THR 28.A O no hydrogen 2.957 N/A VAL 33.A N GLU 29.A O no hydrogen 2.839 N/A ALA 34.A N ALA 30.A O no hydrogen 2.845 N/A ILE 35.A N VAL 31.A O no hydrogen 2.907 N/A ASP 36.A N LYS 32.A O no hydrogen 2.952 N/A VAL 37.A N VAL 33.A O no hydrogen 2.987 N/A VAL 37.A N ALA 34.A O no hydrogen 3.128 N/A GLY 38.A N ALA 34.A O no hydrogen 3.124 N/A GLY 38.A N ILE 35.A O no hydrogen 3.245 N/A TYR 39.A N ALA 34.A O no hydrogen 2.940 N/A TYR 39.A OH ILE 269.A O no hydrogen 2.739 N/A ARG 40.A NH1 ILE 35.A O no hydrogen 2.962 N/A ARG 40.A NH1 TYR 39.A O no hydrogen 2.967 N/A HIS 41.A ND1 PRO 13.A O no hydrogen 3.074 N/A ILE 42.A N PHE 73.A O no hydrogen 3.175 N/A ASP 43.A N LEU 17.A O no hydrogen 2.871 N/A CYS 44.A N VAL 75.A O no hydrogen 2.797 N/A TYR 48.A N ALA 45.A O no hydrogen 3.109 N/A GLN 49.A N HIS 46.A O no hydrogen 3.117 N/A GLU 53.A N GLU 53.A OE1 no hydrogen 2.827 N/A VAL 54.A N ASN 50.A O no hydrogen 3.010 N/A GLY 55.A N GLU 51.A O no hydrogen 2.853 N/A VAL 56.A N ASN 52.A O no hydrogen 3.031 N/A ALA 57.A N GLU 53.A O no hydrogen 3.469 N/A ILE 58.A N VAL 54.A O no hydrogen 3.044 N/A GLN 59.A N GLY 55.A O no hydrogen 2.857 N/A GLU 60.A N VAL 56.A O no hydrogen 2.963 N/A LYS 61.A N ALA 57.A O no hydrogen 3.046 N/A LYS 61.A NZ ASP 36.A OD1 no hydrogen 2.723 N/A LYS 61.A NZ ASP 36.A OD2 no hydrogen 3.038 N/A LYS 61.A NZ GLU 64.A OE1 no hydrogen 2.986 N/A LEU 62.A N ILE 58.A O no hydrogen 2.985 N/A ARG 63.A N GLN 59.A O no hydrogen 2.826 N/A ARG 63.A NE GLU 60.A OE1 no hydrogen 2.509 N/A ARG 63.A NH2 GLU 60.A OE1 no hydrogen 3.083 N/A GLU 64.A N GLU 60.A O no hydrogen 2.855 N/A GLN 65.A N LEU 62.A O no hydrogen 2.947 N/A VAL 66.A N LYS 61.A O no hydrogen 3.012 N/A LYS 68.A N GLU 71.A OE1 no hydrogen 2.916 N/A LYS 68.A NZ GLU 70.A OE1 no hydrogen 2.699 N/A ARG 69.A NH1 ARG 69.A O no hydrogen 2.876 N/A ARG 69.A NH1 LEU 72.A O no hydrogen 3.085 N/A ARG 69.A NH1 ASP 105.A OD2 no hydrogen 2.887 N/A ARG 69.A NH2 TYR 103.A O no hydrogen 2.935 N/A ARG 69.A NH2 ASP 105.A OD2 no hydrogen 2.846 N/A GLU 70.A N GLU 70.A OE2 no hydrogen 2.833 N/A GLU 71.A N LYS 68.A O no hydrogen 2.886 N/A LEU 72.A N ARG 69.A O no hydrogen 3.093 N/A PHE 73.A N ARG 40.A O no hydrogen 2.781 N/A ILE 74.A N ASP 105.A OD2 no hydrogen 2.907 N/A VAL 75.A N ILE 42.A O no hydrogen 3.054 N/A SER 76.A N LEU 106.A O no hydrogen 3.149 N/A SER 76.A OG GLU 51.A OE2 no hydrogen 2.527 N/A LYS 77.A N SER 76.A OG no hydrogen 2.847 N/A LYS 77.A NZ ASP 43.A OD1 no hydrogen 3.426 N/A LYS 77.A NZ ASP 43.A OD2 no hydrogen 2.713 N/A LYS 77.A NZ CYS 44.A O no hydrogen 2.881 N/A LYS 77.A NZ TYR 48.A OH no hydrogen 2.930 N/A LEU 78.A N LEU 108.A O no hydrogen 2.777 N/A TRP 79.A NE1 PHE 121.A O no hydrogen 2.830 N/A CYS 80.A SG THR 113.A O no hydrogen 3.219 N/A TYR 82.A N TRP 79.A O no hydrogen 3.071 N/A TYR 82.A OH HIS 46.A NE2 no hydrogen 3.424 N/A LEU 87.A N GLU 84.A O no hydrogen 2.799 N/A LYS 89.A NZ GLU 150.A OE1 no hydrogen 3.493 N/A ALA 91.A N LEU 87.A O no hydrogen 3.189 N/A CYS 92.A N VAL 88.A O no hydrogen 3.090 N/A GLN 93.A N LYS 89.A O no hydrogen 2.860 N/A LYS 94.A N GLY 90.A O no hydrogen 2.844 N/A LYS 94.A NZ ASP 98.A OD1 no hydrogen 2.796 N/A LYS 94.A NZ ASP 98.A OD2 no hydrogen 3.257 N/A THR 95.A N ALA 91.A O no hydrogen 3.116 N/A THR 95.A OG1 GLU 51.A OE1 no hydrogen 2.672 N/A LEU 96.A N CYS 92.A O no hydrogen 2.783 N/A SER 97.A N GLN 93.A O no hydrogen 2.836 N/A ASP 98.A N LYS 94.A O no hydrogen 2.835 N/A LEU 99.A N THR 95.A O no hydrogen 2.941 N/A LYS 100.A N SER 97.A O no hydrogen 3.138 N/A LYS 100.A NZ ASN 52.A O no hydrogen 3.076 N/A LYS 100.A NZ ASP 98.A O no hydrogen 2.620 N/A LEU 101.A N LEU 96.A O no hydrogen 3.065 N/A LEU 104.A N LEU 152.A O no hydrogen 2.937 N/A ASP 105.A N ILE 74.A O no hydrogen 2.951 N/A LEU 106.A N ILE 74.A O no hydrogen 3.363 N/A TYR 107.A N ALA 155.A O no hydrogen 3.020 N/A LEU 108.A N SER 76.A O no hydrogen 2.993 N/A ILE 109.A N GLY 157.A O no hydrogen 2.847 N/A HIS 110.A N LEU 78.A O no hydrogen 3.130 N/A PHE 115.A N CYS 80.A O no hydrogen 2.824 N/A LYS 116.A N VAL 131.A O no hydrogen 2.875 N/A ASP 125.A N ASN 129.A O no hydrogen 2.839 N/A SER 127.A N ASP 125.A OD1 no hydrogen 2.963 N/A GLY 128.A N ASP 125.A O no hydrogen 3.038 N/A ASN 129.A N ASP 125.A OD1 no hydrogen 2.950 N/A ASN 129.A ND2 ASP 125.A OD1 no hydrogen 3.441 N/A ASN 129.A ND2 ASP 125.A OD2 no hydrogen 3.491 N/A VAL 131.A N PRO 123.A O no hydrogen 2.893 N/A SER 133.A N GLY 114.A O no hydrogen 2.966 N/A SER 133.A OG GLU 84.A OE1 no hydrogen 2.542 N/A SER 133.A OG GLU 84.A OE2 no hydrogen 3.165 N/A SER 133.A OG THR 135.A OG1 no hydrogen 3.118 N/A THR 135.A OG1 SER 133.A OG no hydrogen 3.118 N/A ASP 139.A N ASN 136.A O no hydrogen 2.982 N/A THR 140.A N ASN 136.A O no hydrogen 3.099 N/A THR 140.A OG1 HIS 83.A O no hydrogen 2.940 N/A THR 140.A OG1 ASN 136.A O no hydrogen 3.404 N/A TRP 141.A N ILE 137.A O no hydrogen 2.858 N/A TRP 141.A NE1 TYR 177.A O no hydrogen 2.861 N/A ALA 142.A N LEU 138.A O no hydrogen 3.150 N/A ALA 143.A N ASP 139.A O no hydrogen 3.134 N/A MET 144.A N THR 140.A O no hydrogen 2.982 N/A GLU 145.A N TRP 141.A O no hydrogen 2.813 N/A GLU 146.A N ALA 142.A O no hydrogen 3.083 N/A LEU 147.A N MET 144.A O no hydrogen 2.998 N/A ASP 149.A N GLU 145.A O no hydrogen 3.218 N/A GLU 150.A N GLU 146.A O no hydrogen 2.902 N/A GLU 150.A N LEU 147.A O no hydrogen 3.336 N/A GLY 151.A N VAL 148.A O no hydrogen 3.004 N/A LEU 152.A N LEU 147.A O no hydrogen 3.038 N/A LYS 154.A N LEU 104.A O no hydrogen 2.819 N/A GLY 157.A N TYR 107.A O no hydrogen 2.895 N/A ILE 158.A N VAL 181.A O no hydrogen 2.943 N/A SER 159.A OG GLN 183.A O no hydrogen 2.716 N/A ASN 160.A N GLN 183.A O no hydrogen 2.983 N/A ASN 160.A ND2 HIS 110.A O no hydrogen 2.906 N/A ASN 162.A N GLN 165.A OE1 no hydrogen 2.829 N/A ASN 162.A ND2 PRO 310.A O no hydrogen 2.874 N/A HIS 163.A N PHE 315.A OXT no hydrogen 2.909 N/A GLN 165.A N ASN 162.A OD1 no hydrogen 2.885 N/A GLN 165.A NE2 ASP 308.A O no hydrogen 2.845 N/A VAL 166.A N ASN 162.A O no hydrogen 2.807 N/A GLU 167.A N HIS 163.A O no hydrogen 2.960 N/A MET 168.A N LEU 164.A O no hydrogen 2.932 N/A ILE 169.A N GLN 165.A O no hydrogen 3.200 N/A LEU 170.A N VAL 166.A O no hydrogen 2.920 N/A ASN 171.A N GLU 167.A O no hydrogen 2.870 N/A LYS 172.A N ILE 169.A O no hydrogen 2.884 N/A LYS 172.A NZ PRO 173.A O no hydrogen 3.089 N/A LEU 175.A N LYS 172.A O no hydrogen 3.082 N/A LYS 176.A N GLU 145.A OE2 no hydrogen 2.785 N/A LYS 176.A NZ ASP 149.A OD2 no hydrogen 2.776 N/A TYR 177.A N GLU 145.A OE2 no hydrogen 2.945 N/A TYR 177.A OH ASP 149.A OD1 no hydrogen 2.629 N/A LYS 178.A NZ LYS 202.A O no hydrogen 3.128 N/A ALA 180.A N ILE 156.A O no hydrogen 2.847 N/A ASN 182.A N VAL 205.A O no hydrogen 2.913 N/A GLN 183.A N ILE 158.A O no hydrogen 2.967 N/A GLN 183.A NE2 ASP 43.A OD1 no hydrogen 3.041 N/A ILE 184.A N THR 207.A O no hydrogen 2.821 N/A CYS 186.A N TYR 209.A O no hydrogen 3.104 N/A CYS 186.A SG LEU 190.A O no hydrogen 3.841 N/A CYS 186.A SG THR 191.A O no hydrogen 3.626 N/A HIS 187.A N LEU 190.A O no hydrogen 3.127 N/A HIS 187.A ND1 SER 210.A O no hydrogen 3.256 N/A HIS 187.A NE2 TRP 295.A O no hydrogen 3.239 N/A TYR 189.A OH ASP 230.A OD2 no hydrogen 2.574 N/A LEU 190.A N HIS 187.A O no hydrogen 2.967 N/A THR 191.A N ASN 292.A OD1 no hydrogen 2.976 N/A THR 191.A OG1 GLU 193.A OE1 no hydrogen 2.600 N/A GLN 192.A NE2 GLU 185.A O no hydrogen 2.919 N/A GLU 193.A N GLU 193.A OE1 no hydrogen 2.918 N/A ILE 196.A N GLN 192.A O no hydrogen 3.029 N/A GLN 197.A N GLU 193.A O no hydrogen 2.992 N/A TYR 198.A N LYS 194.A O no hydrogen 2.934 N/A CYS 199.A N LEU 195.A O no hydrogen 2.905 N/A CYS 199.A SG ASN 182.A OD1 no hydrogen 3.706 N/A CYS 199.A SG LEU 195.A O no hydrogen 3.419 N/A GLN 200.A N ILE 196.A O no hydrogen 2.820 N/A SER 201.A N GLN 197.A O no hydrogen 2.877 N/A SER 201.A OG GLN 197.A O no hydrogen 3.384 N/A SER 201.A OG TYR 198.A O no hydrogen 2.721 N/A LYS 202.A N TYR 198.A O no hydrogen 3.246 N/A LYS 202.A N CYS 199.A O no hydrogen 3.045 N/A GLY 203.A N GLN 200.A O no hydrogen 2.975 N/A ILE 204.A N CYS 199.A O no hydrogen 3.124 N/A VAL 205.A N ALA 180.A O no hydrogen 2.983 N/A THR 207.A N ASN 182.A O no hydrogen 3.070 N/A ALA 208.A N VAL 258.A O no hydrogen 2.779 N/A TYR 209.A N ILE 184.A O no hydrogen 2.863 N/A TYR 209.A OH ASN 160.A OD1 no hydrogen 2.654 N/A GLY 213.A N SER 210.A O no hydrogen 2.917 N/A ARG 217.A N SER 214.A O no hydrogen 2.932 N/A ARG 217.A NH1 SER 214.A O no hydrogen 3.019 N/A ARG 217.A NH2 ASP 224.A OD2 no hydrogen 2.859 N/A TRP 219.A NE1 VAL 297.A O no hydrogen 2.736 N/A ALA 220.A N ARG 217.A O no hydrogen 3.332 N/A LYS 221.A N ASP 224.A OD2 no hydrogen 2.734 N/A ASP 224.A N LYS 221.A O no hydrogen 3.046 N/A GLU 229.A N SER 226.A O no hydrogen 3.119 N/A GLU 229.A N SER 226.A OG no hydrogen 3.237 N/A ASP 230.A N LEU 227.A O no hydrogen 3.073 N/A ARG 232.A N ASP 230.A OD1 no hydrogen 2.960 N/A ARG 232.A NE ASP 230.A OD1 no hydrogen 3.053 N/A ARG 232.A NH2 ASP 230.A OD2 no hydrogen 2.857 N/A ILE 233.A N ASP 230.A O no hydrogen 3.041 N/A LYS 234.A N ASP 230.A O no hydrogen 2.921 N/A ALA 235.A N PRO 231.A O no hydrogen 2.952 N/A ILE 236.A N ARG 232.A O no hydrogen 3.373 N/A ALA 237.A N ILE 233.A O no hydrogen 3.020 N/A ALA 238.A N LYS 234.A O no hydrogen 2.793 N/A LYS 239.A N ALA 235.A O no hydrogen 2.958 N/A LYS 239.A NZ ASP 284.A OD1 no hydrogen 2.828 N/A HIS 240.A N ILE 236.A O no hydrogen 3.264 N/A HIS 240.A N ALA 237.A O no hydrogen 3.105 N/A HIS 240.A NE2 ASP 284.A OD2 no hydrogen 2.649 N/A ASN 241.A N ALA 238.A O no hydrogen 3.013 N/A LYS 242.A N ALA 237.A O no hydrogen 2.970 N/A LYS 242.A NZ LYS 274.A O no hydrogen 2.741 N/A LYS 242.A NZ ASP 277.A OD1 no hydrogen 2.881 N/A LYS 242.A NZ ASP 277.A OD2 no hydrogen 3.230 N/A THR 243.A N GLN 246.A OE1 no hydrogen 2.845 N/A THR 243.A OG1 GLU 271.A OE2 no hydrogen 2.613 N/A GLN 246.A N THR 243.A O no hydrogen 3.183 N/A GLN 246.A NE2 GLU 271.A O no hydrogen 2.879 N/A VAL 247.A N THR 243.A O no hydrogen 3.032 N/A LEU 248.A N THR 244.A O no hydrogen 2.919 N/A ILE 249.A N ALA 245.A O no hydrogen 2.861 N/A ARG 250.A N GLN 246.A O no hydrogen 2.903 N/A ARG 250.A NE GLN 254.A OE1 no hydrogen 2.741 N/A ARG 250.A NH1 VAL 275.A O no hydrogen 2.952 N/A ARG 250.A NH2 GLN 254.A OE1 no hydrogen 3.505 N/A PHE 251.A N VAL 247.A O no hydrogen 3.007 N/A GLN 254.A N ARG 250.A O no hydrogen 3.057 N/A GLN 254.A N PHE 251.A O no hydrogen 3.199 N/A GLN 254.A NE2 LEU 280.A O no hydrogen 2.887 N/A ARG 255.A N PRO 252.A O no hydrogen 2.906 N/A ARG 255.A NH1 THR 191.A O no hydrogen 2.900 N/A ARG 255.A NH2 THR 191.A O no hydrogen 2.876 N/A ASN 256.A N MET 253.A O no hydrogen 3.200 N/A LEU 257.A N PRO 252.A O no hydrogen 3.053 N/A VAL 258.A N VAL 206.A O no hydrogen 3.035 N/A VAL 259.A N ILE 14.A O no hydrogen 2.741 N/A ILE 260.A N ALA 208.A O no hydrogen 3.355 N/A LYS 262.A NZ ASP 216.A OD2 no hydrogen 2.929 N/A SER 263.A OG THR 265.A O no hydrogen 3.401 N/A THR 265.A N SER 263.A OG no hydrogen 2.915 N/A GLU 267.A N GLU 267.A OE2 no hydrogen 2.905 N/A ILE 269.A N THR 265.A O no hydrogen 2.854 N/A ALA 270.A N PRO 266.A O no hydrogen 3.065 N/A GLU 271.A N GLU 267.A O no hydrogen 2.986 N/A ASN 272.A N ARG 268.A O no hydrogen 2.865 N/A PHE 273.A N ALA 270.A O no hydrogen 3.135 N/A LYS 274.A N GLU 271.A O no hydrogen 3.040 N/A LEU 280.A N GLN 254.A OE1 no hydrogen 2.835 N/A SER 281.A N ASP 284.A OD2 no hydrogen 2.969 N/A ASP 284.A N SER 281.A OG no hydrogen 2.912 N/A MET 285.A N SER 281.A O no hydrogen 2.905 N/A THR 286.A N SER 282.A O no hydrogen 2.832 N/A THR 286.A OG1 SER 282.A O no hydrogen 3.218 N/A THR 287.A N GLN 283.A O no hydrogen 2.784 N/A THR 287.A OG1 GLN 283.A O no hydrogen 2.785 N/A LEU 288.A N ASP 284.A O no hydrogen 2.849 N/A LEU 289.A N MET 285.A O no hydrogen 2.918 N/A SER 290.A N THR 286.A O no hydrogen 3.011 N/A SER 290.A N THR 287.A O no hydrogen 3.002 N/A SER 290.A OG THR 287.A O no hydrogen 2.679 N/A TYR 291.A N LEU 288.A O no hydrogen 3.172 N/A ASN 292.A N LEU 289.A O no hydrogen 3.238 N/A ASN 292.A ND2 ASN 294.A OD1 no hydrogen 3.001 N/A ARG 293.A N TYR 189.A O no hydrogen 3.061 N/A ASN 294.A N ASN 292.A OD1 no hydrogen 3.264 N/A TRP 295.A N TYR 189.A O no hydrogen 3.024 N/A VAL 297.A N GLU 185.A OE2 no hydrogen 2.691 N/A CYS 298.A N GLU 185.A OE1 no hydrogen 2.942 N/A CYS 303.A N LEU 300.A O no hydrogen 2.823 N/A CYS 303.A SG SER 302.A OG no hydrogen 3.740 N/A THR 304.A N MET 301.A O no hydrogen 3.470 N/A THR 304.A OG1 MET 301.A O no hydrogen 3.500 N/A HIS 306.A N CYS 303.A O no hydrogen 2.943 N/A HIS 306.A NE2 GLY 114.A O no hydrogen 2.677 N/A LYS 307.A NZ ASP 308.A OD2 no hydrogen 2.715 N/A TYR 309.A N HIS 306.A O no hydrogen 3.070 N/A TYR 309.A OH ALA 299.A O no hydrogen 2.552 N/A