Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2pdp_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 3.A NH1 LYS 11.A O no hydrogen 3.491 N/A ARG 3.A NH2 GLU 71.A O no hydrogen 2.906 N/A ILE 4.A N MET 12.A O no hydrogen 2.789 N/A LEU 6.A N ALA 10.A O no hydrogen 2.939 N/A ASN 7.A ND2 LYS 178.A O no hydrogen 3.362 N/A ASN 8.A ND2 LYS 154.A O no hydrogen 2.925 N/A GLY 9.A N LEU 6.A O no hydrogen 3.004 N/A ALA 10.A N ASN 8.A OD1 no hydrogen 2.830 N/A MET 12.A N ILE 4.A O no hydrogen 2.709 N/A ILE 14.A N SER 2.A O no hydrogen 2.843 N/A GLY 16.A N VAL 259.A O no hydrogen 2.869 N/A LEU 17.A N HIS 41.A O no hydrogen 2.866 N/A GLY 18.A N PRO 261.A O no hydrogen 2.955 N/A THR 19.A OG1 ASP 43.A O no hydrogen 2.760 N/A LYS 21.A NZ TRP 20.A O no hydrogen 2.669 N/A LYS 21.A NZ ASP 216.A OD1 no hydrogen 3.152 N/A LYS 21.A NZ ASP 216.A OD2 no hydrogen 3.111 N/A SER 22.A N THR 19.A O no hydrogen 3.222 N/A GLN 26.A N PRO 23.A O no hydrogen 2.820 N/A VAL 27.A N PRO 23.A O no hydrogen 2.764 N/A THR 28.A OG1 GLU 53.A O no hydrogen 2.983 N/A VAL 31.A N VAL 27.A O no hydrogen 3.023 N/A LYS 32.A N THR 28.A O no hydrogen 2.975 N/A LYS 32.A NZ GLU 29.A OE1.A no hydrogen 3.062 N/A VAL 33.A N GLU 29.A O no hydrogen 2.937 N/A ALA 34.A N ALA 30.A O no hydrogen 2.791 N/A ILE 35.A N VAL 31.A O no hydrogen 2.882 N/A ASP 36.A N LYS 32.A O no hydrogen 2.823 N/A VAL 37.A N VAL 33.A O no hydrogen 2.995 N/A GLY 38.A N ALA 34.A O no hydrogen 3.164 N/A GLY 38.A N ILE 35.A O no hydrogen 3.204 N/A TYR 39.A N ALA 34.A O no hydrogen 2.902 N/A TYR 39.A OH ILE 269.A O no hydrogen 2.886 N/A ARG 40.A NH1 ILE 35.A O no hydrogen 2.886 N/A ARG 40.A NH1 TYR 39.A O no hydrogen 2.706 N/A HIS 41.A ND1 PRO 13.A O no hydrogen 3.084 N/A ILE 42.A N PHE 73.A O no hydrogen 3.105 N/A ASP 43.A N LEU 17.A O no hydrogen 2.955 N/A CYS 44.A N VAL 75.A O no hydrogen 2.823 N/A TYR 48.A N ALA 45.A O no hydrogen 3.100 N/A GLN 49.A N HIS 46.A O no hydrogen 3.123 N/A GLN 49.A NE2 HIS 46.A O no hydrogen 3.007 N/A GLU 53.A N ASN 50.A O no hydrogen 3.140 N/A VAL 54.A N ASN 50.A O no hydrogen 3.097 N/A GLY 55.A N GLU 51.A O no hydrogen 2.863 N/A VAL 56.A N ASN 52.A O no hydrogen 2.949 N/A ALA 57.A N GLU 53.A O no hydrogen 3.256 N/A ILE 58.A N VAL 54.A O no hydrogen 3.056 N/A GLN 59.A N GLY 55.A O no hydrogen 2.920 N/A GLU 60.A N VAL 56.A O no hydrogen 3.111 N/A LYS 61.A N ALA 57.A O no hydrogen 3.050 N/A LYS 61.A NZ ASP 36.A OD1 no hydrogen 2.817 N/A LYS 61.A NZ ASP 36.A OD2 no hydrogen 3.166 N/A LYS 61.A NZ GLU 64.A OE1 no hydrogen 2.859 N/A LEU 62.A N ILE 58.A O no hydrogen 3.014 N/A ARG 63.A N GLN 59.A O no hydrogen 2.928 N/A GLU 64.A N GLU 60.A O no hydrogen 2.794 N/A GLN 65.A N LEU 62.A O no hydrogen 3.184 N/A VAL 66.A N LYS 61.A O no hydrogen 3.044 N/A LYS 68.A N GLU 71.A OE1 no hydrogen 2.825 N/A LYS 68.A NZ GLU 71.A OE2 no hydrogen 2.925 N/A ARG 69.A NH1 ARG 69.A O no hydrogen 2.922 N/A ARG 69.A NH1 LEU 72.A O no hydrogen 3.092 N/A ARG 69.A NH1 ASP 105.A OD2 no hydrogen 2.977 N/A ARG 69.A NH2 TYR 103.A O no hydrogen 2.901 N/A ARG 69.A NH2 ASP 105.A OD2 no hydrogen 3.018 N/A GLU 71.A N LYS 68.A O no hydrogen 2.935 N/A LEU 72.A N ARG 69.A O no hydrogen 2.985 N/A PHE 73.A N ARG 40.A O no hydrogen 2.641 N/A ILE 74.A N ASP 105.A OD2 no hydrogen 2.833 N/A VAL 75.A N ILE 42.A O no hydrogen 3.013 N/A SER 76.A N LEU 106.A O no hydrogen 3.137 N/A SER 76.A OG GLU 51.A OE2 no hydrogen 2.666 N/A LYS 77.A N SER 76.A OG no hydrogen 2.698 N/A LYS 77.A NZ ASP 43.A OD1 no hydrogen 3.355 N/A LYS 77.A NZ ASP 43.A OD2 no hydrogen 2.642 N/A LYS 77.A NZ CYS 44.A O no hydrogen 2.740 N/A LYS 77.A NZ TYR 48.A OH no hydrogen 3.180 N/A LEU 78.A N LEU 108.A O no hydrogen 2.820 N/A TRP 79.A NE1 PHE 121.A O no hydrogen 2.886 N/A CYS 80.A SG THR 113.A O no hydrogen 3.264 N/A TYR 82.A N TRP 79.A O no hydrogen 3.241 N/A TYR 82.A OH HIS 46.A NE2 no hydrogen 3.223 N/A GLU 84.A N GLU 84.A OE1 no hydrogen 2.744 N/A LEU 87.A N GLU 84.A O no hydrogen 2.832 N/A LYS 89.A NZ GLU 150.A OE2 no hydrogen 3.425 N/A ALA 91.A N LEU 87.A O no hydrogen 3.109 N/A CYS 92.A N VAL 88.A O no hydrogen 2.993 N/A GLN 93.A N LYS 89.A O no hydrogen 2.755 N/A LYS 94.A N GLY 90.A O no hydrogen 2.958 N/A LYS 94.A NZ ASP 98.A OD1 no hydrogen 2.934 N/A THR 95.A N ALA 91.A O no hydrogen 3.242 N/A THR 95.A OG1 GLU 51.A OE1 no hydrogen 2.724 N/A LEU 96.A N CYS 92.A O no hydrogen 3.109 N/A SER 97.A N GLN 93.A O no hydrogen 2.991 N/A SER 97.A OG.B GLN 93.A O no hydrogen 3.075 N/A ASP 98.A N LYS 94.A O no hydrogen 2.948 N/A LEU 99.A N THR 95.A O no hydrogen 2.713 N/A LYS 100.A N SER 97.A O no hydrogen 3.064 N/A LYS 100.A NZ ASN 52.A O no hydrogen 3.501 N/A LYS 100.A NZ ASN 52.A OD1.B no hydrogen 2.793 N/A LYS 100.A NZ ASP 98.A O no hydrogen 2.522 N/A LEU 101.A N LEU 96.A O no hydrogen 3.033 N/A LEU 104.A N LEU 152.A O no hydrogen 3.048 N/A ASP 105.A N ILE 74.A O no hydrogen 2.956 N/A TYR 107.A N ALA 155.A O no hydrogen 3.054 N/A LEU 108.A N SER 76.A O no hydrogen 2.949 N/A ILE 109.A N GLY 157.A O no hydrogen 2.951 N/A HIS 110.A N LEU 78.A O no hydrogen 3.216 N/A PHE 115.A N CYS 80.A O no hydrogen 2.851 N/A LYS 116.A N VAL 131.A O no hydrogen 2.838 N/A LYS 116.A NZ PRO 117.A O no hydrogen 2.665 N/A ASP 125.A N ASN 129.A O no hydrogen 2.943 N/A SER 127.A N ASP 125.A OD1 no hydrogen 3.014 N/A SER 127.A OG.A ASP 125.A OD1 no hydrogen 3.279 N/A GLY 128.A N ASP 125.A O no hydrogen 3.236 N/A ASN 129.A N ASP 125.A OD1 no hydrogen 3.124 N/A VAL 130.A N ARG 302.A O no hydrogen 3.289 N/A VAL 131.A N PRO 123.A O no hydrogen 2.921 N/A SER 133.A N GLY 114.A O no hydrogen 2.975 N/A SER 133.A OG THR 135.A OG1 no hydrogen 2.933 N/A THR 135.A OG1 SER 133.A OG no hydrogen 2.933 N/A THR 140.A N ASN 136.A O no hydrogen 3.065 N/A THR 140.A OG1 HIS 83.A O no hydrogen 3.003 N/A THR 140.A OG1 ASN 136.A O no hydrogen 3.028 N/A TRP 141.A N ILE 137.A O no hydrogen 2.743 N/A TRP 141.A NE1 TYR 177.A O no hydrogen 3.016 N/A ALA 142.A N LEU 138.A O no hydrogen 2.891 N/A ALA 143.A N ASP 139.A O no hydrogen 3.187 N/A MET 144.A N THR 140.A O no hydrogen 3.018 N/A GLU 145.A N TRP 141.A O no hydrogen 2.956 N/A GLU 146.A N ALA 142.A O no hydrogen 3.328 N/A LEU 147.A N MET 144.A O no hydrogen 2.990 N/A ASP 149.A N GLU 145.A O no hydrogen 3.200 N/A GLU 150.A N GLU 146.A O no hydrogen 2.980 N/A GLY 151.A N VAL 148.A O no hydrogen 2.953 N/A LEU 152.A N LEU 147.A O no hydrogen 3.057 N/A LYS 154.A N LEU 104.A O no hydrogen 2.979 N/A GLY 157.A N TYR 107.A O no hydrogen 2.870 N/A ILE 158.A N VAL 181.A O no hydrogen 2.957 N/A SER 159.A OG GLN 183.A O no hydrogen 2.777 N/A ASN 160.A N GLN 183.A O no hydrogen 2.988 N/A ASN 160.A ND2 HIS 110.A O no hydrogen 2.968 N/A ASN 162.A N GLN 165.A OE1 no hydrogen 2.840 N/A ASN 162.A ND2 PRO 310.A O no hydrogen 3.151 N/A HIS 163.A N PHE 315.A OXT no hydrogen 2.735 N/A HIS 163.A ND1 PHE 315.A O no hydrogen 2.532 N/A GLN 165.A N ASN 162.A OD1 no hydrogen 2.823 N/A GLN 165.A NE2 ASP 308.A O no hydrogen 3.064 N/A VAL 166.A N ASN 162.A O no hydrogen 3.037 N/A GLU 167.A N HIS 163.A O no hydrogen 2.896 N/A MET 168.A N LEU 164.A O no hydrogen 2.998 N/A ILE 169.A N GLN 165.A O no hydrogen 3.488 N/A LEU 170.A N VAL 166.A O no hydrogen 3.002 N/A ASN 171.A N GLU 167.A O no hydrogen 2.922 N/A LYS 172.A N ILE 169.A O no hydrogen 2.958 N/A LEU 175.A N LYS 172.A O no hydrogen 3.228 N/A LYS 176.A N GLU 145.A OE2 no hydrogen 2.727 N/A TYR 177.A N GLU 145.A OE2 no hydrogen 2.905 N/A TYR 177.A OH ASP 149.A OD1 no hydrogen 2.436 N/A LYS 178.A NZ LYS 202.A O no hydrogen 2.887 N/A ALA 180.A N ILE 156.A O no hydrogen 2.970 N/A ASN 182.A N VAL 205.A O no hydrogen 2.957 N/A ASN 182.A ND2 ILE 158.A O no hydrogen 3.464 N/A GLN 183.A N ILE 158.A O no hydrogen 2.990 N/A GLN 183.A NE2 ASP 43.A OD1 no hydrogen 2.954 N/A ILE 184.A N THR 207.A O no hydrogen 2.876 N/A CYS 186.A N TYR 209.A O no hydrogen 3.195 N/A CYS 186.A SG LEU 190.A O no hydrogen 3.828 N/A CYS 186.A SG THR 191.A O no hydrogen 3.713 N/A HIS 187.A N LEU 190.A O no hydrogen 3.184 N/A TYR 189.A OH ASP 230.A OD2 no hydrogen 2.732 N/A LEU 190.A N HIS 187.A O no hydrogen 2.926 N/A THR 191.A N ASN 292.A OD1 no hydrogen 3.095 N/A GLN 192.A NE2 GLU 185.A O no hydrogen 2.806 N/A ILE 196.A N GLN 192.A O no hydrogen 2.926 N/A GLN 197.A N GLU 193.A O no hydrogen 2.937 N/A TYR 198.A N LYS 194.A O no hydrogen 2.946 N/A TYR 198.A OH GLU 167.A OE2 no hydrogen 2.303 N/A CYS 199.A N LEU 195.A O no hydrogen 2.849 N/A CYS 199.A SG ASN 182.A OD1 no hydrogen 3.686 N/A CYS 199.A SG LEU 195.A O no hydrogen 3.455 N/A GLN 200.A N ILE 196.A O no hydrogen 2.883 N/A SER 201.A N GLN 197.A O no hydrogen 3.004 N/A SER 201.A N TYR 198.A O no hydrogen 3.123 N/A SER 201.A OG GLN 197.A O no hydrogen 3.243 N/A SER 201.A OG TYR 198.A O no hydrogen 2.902 N/A LYS 202.A N TYR 198.A O no hydrogen 3.188 N/A LYS 202.A N CYS 199.A O no hydrogen 3.037 N/A GLY 203.A N GLN 200.A O no hydrogen 3.279 N/A ILE 204.A N CYS 199.A O no hydrogen 2.945 N/A VAL 205.A N ALA 180.A O no hydrogen 2.993 N/A THR 207.A N ASN 182.A O no hydrogen 3.117 N/A ALA 208.A N VAL 258.A O no hydrogen 2.711 N/A TYR 209.A N ILE 184.A O no hydrogen 2.798 N/A TYR 209.A OH ASN 160.A OD1 no hydrogen 2.586 N/A GLY 213.A N SER 210.A O no hydrogen 2.933 N/A ARG 217.A N SER 214.A O no hydrogen 2.943 N/A ARG 217.A NH1 SER 214.A O no hydrogen 2.952 N/A ARG 217.A NH2 ASP 224.A OD2 no hydrogen 2.712 N/A TRP 219.A NE1 VAL 297.A O no hydrogen 2.642 N/A ALA 220.A N ARG 217.A O no hydrogen 3.305 N/A LYS 221.A N ASP 224.A OD2 no hydrogen 2.857 N/A LYS 221.A NZ TRP 219.A O no hydrogen 3.484 N/A GLU 223.A N GLU 223.A OE1 no hydrogen 2.872 N/A ASP 224.A N LYS 221.A O no hydrogen 3.088 N/A GLU 229.A N SER 226.A O no hydrogen 3.200 N/A ASP 230.A N LEU 227.A O no hydrogen 3.106 N/A ARG 232.A N ASP 230.A OD1 no hydrogen 2.662 N/A ARG 232.A NE ASP 230.A OD1 no hydrogen 3.095 N/A ARG 232.A NE ASP 230.A OD2 no hydrogen 3.403 N/A ARG 232.A NH2 ASP 230.A OD2 no hydrogen 2.737 N/A ILE 233.A N ASP 230.A O no hydrogen 3.173 N/A LYS 234.A N ASP 230.A O no hydrogen 3.040 N/A ALA 235.A N PRO 231.A O no hydrogen 3.111 N/A ILE 236.A N ARG 232.A O no hydrogen 3.319 N/A ALA 237.A N ILE 233.A O no hydrogen 2.928 N/A ALA 238.A N LYS 234.A O no hydrogen 2.827 N/A LYS 239.A N ALA 235.A O no hydrogen 3.301 N/A LYS 239.A NZ ASP 284.A OD1 no hydrogen 2.493 N/A HIS 240.A N ALA 237.A O no hydrogen 3.137 N/A HIS 240.A NE2 ASP 284.A OD2 no hydrogen 2.622 N/A ASN 241.A N ALA 238.A O no hydrogen 3.130 N/A LYS 242.A N ALA 237.A O no hydrogen 3.008 N/A LYS 242.A NZ LYS 274.A O no hydrogen 2.808 N/A LYS 242.A NZ ASP 277.A OD1 no hydrogen 2.820 N/A LYS 242.A NZ ASP 277.A OD2 no hydrogen 3.196 N/A THR 243.A N GLN 246.A OE1 no hydrogen 2.840 N/A THR 243.A OG1 GLU 271.A OE2 no hydrogen 2.605 N/A GLN 246.A NE2 GLU 271.A O no hydrogen 3.020 N/A VAL 247.A N THR 243.A O no hydrogen 3.150 N/A LEU 248.A N THR 244.A O no hydrogen 2.990 N/A ILE 249.A N ALA 245.A O no hydrogen 2.858 N/A ARG 250.A N GLN 246.A O no hydrogen 2.982 N/A ARG 250.A NE GLN 254.A OE1 no hydrogen 2.780 N/A ARG 250.A NH1 VAL 275.A O no hydrogen 2.798 N/A ARG 250.A NH2 GLN 254.A OE1 no hydrogen 3.375 N/A PHE 251.A N VAL 247.A O no hydrogen 2.942 N/A GLN 254.A N ARG 250.A O no hydrogen 3.144 N/A GLN 254.A N PHE 251.A O no hydrogen 3.232 N/A GLN 254.A NE2 LEU 280.A O no hydrogen 2.917 N/A ARG 255.A N PRO 252.A O no hydrogen 2.931 N/A ARG 255.A NH1 THR 191.A O no hydrogen 2.965 N/A ARG 255.A NH2 THR 191.A O no hydrogen 2.928 N/A ASN 256.A N MET 253.A O no hydrogen 3.419 N/A LEU 257.A N PRO 252.A O no hydrogen 3.055 N/A VAL 258.A N VAL 206.A O no hydrogen 2.988 N/A VAL 259.A N ILE 14.A O no hydrogen 2.808 N/A ILE 260.A N ALA 208.A O no hydrogen 3.379 N/A LYS 262.A NZ ASP 216.A OD2 no hydrogen 2.874 N/A SER 263.A OG THR 265.A O no hydrogen 3.521 N/A THR 265.A N SER 263.A OG no hydrogen 3.006 N/A ILE 269.A N THR 265.A O no hydrogen 2.796 N/A ALA 270.A N PRO 266.A O no hydrogen 3.074 N/A GLU 271.A N GLU 267.A O no hydrogen 2.923 N/A ASN 272.A N ARG 268.A O no hydrogen 2.812 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 2.997 N/A LEU 280.A N GLN 254.A OE1 no hydrogen 2.672 N/A SER 281.A N ASP 284.A OD2 no hydrogen 3.003 N/A GLN 283.A NE2 THR 287.A OG1 no hydrogen 3.279 N/A ASP 284.A N SER 281.A OG no hydrogen 2.938 N/A MET 285.A N SER 281.A O no hydrogen 2.891 N/A THR 286.A N SER 282.A O no hydrogen 3.056 N/A THR 287.A N GLN 283.A O no hydrogen 2.918 N/A THR 287.A OG1 GLN 283.A O no hydrogen 2.863 N/A LEU 288.A N ASP 284.A O no hydrogen 2.917 N/A LEU 289.A N MET 285.A O no hydrogen 2.969 N/A SER 290.A N THR 286.A O no hydrogen 3.012 N/A SER 290.A N THR 287.A O no hydrogen 3.067 N/A SER 290.A OG THR 287.A O no hydrogen 2.739 N/A TYR 291.A N LEU 288.A O no hydrogen 3.125 N/A ASN 292.A N LEU 289.A O no hydrogen 3.279 N/A ASN 292.A ND2 ASN 294.A OD1 no hydrogen 3.083 N/A ARG 293.A N TYR 189.A O no hydrogen 3.014 N/A ARG 293.A NH1 SER 290.A O no hydrogen 3.421 N/A ARG 293.A NH1 ASN 292.A O no hydrogen 2.500 N/A ASN 294.A N ASN 292.A OD1 no hydrogen 3.167 N/A TRP 295.A N TYR 189.A O no hydrogen 3.124 N/A VAL 297.A N GLU 185.A OE2 no hydrogen 2.591 N/A CYS 298.A N GLU 185.A OE1 no hydrogen 2.995 N/A CYS 303.A N LEU 300.A O no hydrogen 3.027 N/A THR 304.A N LEU 301.A O no hydrogen 3.154 N/A THR 304.A OG1 LEU 301.A O no hydrogen 2.700 N/A HIS 306.A N CYS 303.A O no hydrogen 2.883 N/A HIS 306.A NE2 GLY 114.A O no hydrogen 2.483 N/A LYS 307.A NZ THR 135.A O no hydrogen 3.208 N/A TYR 309.A N HIS 306.A O no hydrogen 2.933 N/A HIS 312.A NE2 THR 304.A O no hydrogen 2.732 N/A