Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3ppu_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASP 5.A N LEU 2.A O no hydrogen 3.034 N/A ILE 6.A N LEU 2.A O no hydrogen 2.875 N/A SER 7.A OG.B SER 287.A O no hydrogen 3.405 N/A THR 10.A OG1 GLU 11.A O no hydrogen 3.326 N/A THR 10.A OG1 SER 189.A OG no hydrogen 2.765 N/A GLU 11.A N SER 15.A O no hydrogen 3.093 N/A GLY 14.A N GLU 11.A O no hydrogen 2.784 N/A SER 15.A N ASP 13.A OD1 no hydrogen 3.267 N/A SER 15.A OG ASP 13.A OD1 no hydrogen 3.038 N/A SER 15.A OG ASP 13.A OD2 no hydrogen 3.528 N/A LYS 17.A NZ SER 15.A OG no hydrogen 2.817 N/A ARG 18.A NE ASN 180.A OD1 no hydrogen 2.867 N/A ARG 18.A NH2 ASN 180.A OD1 no hydrogen 3.125 N/A PHE 23.A N ASN 133.A OD1 no hydrogen 2.976 N/A ARG 24.A NE GLU 137.A OE1 no hydrogen 2.938 N/A ARG 24.A NE GLU 137.A OE2 no hydrogen 3.263 N/A ARG 24.A NH1 ALA 21.A O no hydrogen 2.962 N/A ARG 24.A NH2 GLU 137.A OE2 no hydrogen 3.027 N/A ASN 25.A N VAL 131.A O no hydrogen 3.005 N/A ASN 25.A ND2 VAL 131.A O no hydrogen 2.881 N/A GLN 28.A N PHE 33.A O no hydrogen 2.810 N/A GLN 28.A NE2 TRP 26.A O no hydrogen 3.653 N/A THR 34.A OG1 GLU 36.A OE2 no hydrogen 3.067 N/A GLY 38.A N PHE 66.A O no hydrogen 3.043 N/A ARG 39.A NE ASP 124.A OD1 no hydrogen 2.669 N/A ARG 39.A NH1 GLU 36.A OE2 no hydrogen 3.119 N/A ARG 39.A NH2 ASP 32.A O no hydrogen 2.835 N/A ARG 39.A NH2 ASP 124.A OD2 no hydrogen 3.130 N/A TYR 40.A OH THR 34.A O no hydrogen 2.523 N/A HIS 41.A N TRP 123.A O no hydrogen 2.902 N/A HIS 41.A NE2 THR 70.A OG1 no hydrogen 2.625 N/A LEU 42.A N GLY 68.A O no hydrogen 2.744 N/A TYR 43.A N VAL 121.A O no hydrogen 2.847 N/A TYR 43.A OH ASP 94.A OD1 no hydrogen 2.529 N/A VAL 44.A N THR 70.A O no hydrogen 2.991 N/A ALA 47.A N SER 45.A OG no hydrogen 2.886 N/A CYS 48.A N SER 45.A O no hydrogen 3.395 N/A CYS 48.A SG VAL 119.A O no hydrogen 3.768 N/A THR 52.A N CYS 48.A O no hydrogen 2.857 N/A THR 52.A OG1 CYS 48.A O no hydrogen 2.683 N/A ARG 53.A N PRO 49.A O no hydrogen 3.106 N/A ARG 53.A N TRP 50.A O no hydrogen 3.063 N/A ARG 53.A NH1 SER 135.A OG no hydrogen 2.718 N/A THR 54.A N ALA 51.A O no hydrogen 2.958 N/A THR 54.A OG1 ALA 51.A O no hydrogen 2.710 N/A LEU 55.A N ALA 51.A O no hydrogen 3.357 N/A ILE 56.A N THR 52.A O no hydrogen 2.959 N/A VAL 57.A N ARG 53.A O no hydrogen 3.159 N/A ARG 58.A N THR 54.A O no hydrogen 2.911 N/A ARG 58.A NE ILE 67.A O no hydrogen 2.869 N/A ARG 58.A NH2 ILE 67.A O no hydrogen 2.878 N/A LYS 59.A N LEU 55.A O no hydrogen 3.211 N/A LEU 60.A N ILE 56.A O no hydrogen 2.949 N/A LYS 61.A N VAL 57.A O no hydrogen 2.870 N/A LYS 61.A NZ ASN 142.A O no hydrogen 2.986 N/A LYS 61.A NZ ASN 146.A OD1 no hydrogen 2.807 N/A LYS 61.A NZ LYS 153.A O no hydrogen 2.897 N/A LYS 61.A NZ LEU 156.A O no hydrogen 2.900 N/A GLY 62.A N LYS 59.A O no hydrogen 3.149 N/A LEU 63.A N ARG 58.A O no hydrogen 2.899 N/A GLU 64.A N GLU 64.A OE1 no hydrogen 2.970 N/A PHE 66.A N LEU 63.A O no hydrogen 2.910 N/A ILE 67.A N LEU 63.A O no hydrogen 3.104 N/A GLY 68.A N TYR 40.A O no hydrogen 3.343 N/A THR 70.A N LEU 42.A O no hydrogen 2.888 N/A THR 70.A OG1 HIS 41.A NE2 no hydrogen 2.625 N/A VAL 71.A N ASP 92.A OD2 no hydrogen 2.808 N/A VAL 72.A N VAL 44.A O no hydrogen 2.818 N/A SER 73.A N PRO 81.A O no hydrogen 2.763 N/A SER 73.A OG ASP 86.A OD2 no hydrogen 2.568 N/A ARG 75.A N SER 73.A OG no hydrogen 3.191 N/A ARG 75.A NH1 ASP 86.A OD1 no hydrogen 3.255 N/A ARG 75.A NH1 ASP 86.A OD2 no hydrogen 3.186 N/A ARG 75.A NH1 PRO 87.A O no hydrogen 3.402 N/A ASN 78.A ND2 ASP 5.A OD2 no hydrogen 3.464 N/A GLY 79.A N GLY 76.A O no hydrogen 2.958 N/A PHE 82.A N GLN 100.A O no hydrogen 2.915 N/A ALA 83.A N ASP 92.A O no hydrogen 2.842 N/A ASN 84.A ND2 GLN 100.A OE1 no hydrogen 3.630 N/A VAL 85.A N PHE 82.A O no hydrogen 2.960 N/A ASP 86.A N PHE 82.A O no hydrogen 2.996 N/A ALA 91.A N PHE 88.A O no hydrogen 2.977 N/A ASP 92.A N VAL 71.A O no hydrogen 2.675 N/A LEU 96.A N ASP 94.A OD1 no hydrogen 3.023 N/A ASN 97.A N ASP 94.A OD1 no hydrogen 3.460 N/A ASN 97.A N ASP 94.A OD2 no hydrogen 3.065 N/A ALA 99.A N ASP 94.A OD2 no hydrogen 2.973 N/A GLN 100.A N ASP 104.A OD2 no hydrogen 2.861 N/A HIS 101.A N ASP 104.A OD2 no hydrogen 3.087 N/A VAL 102.A N TRP 80.A O no hydrogen 2.972 N/A LYS 103.A NZ ASP 104.A OD1 no hydrogen 3.402 N/A ASP 104.A N HIS 101.A O no hydrogen 3.055 N/A LEU 105.A N VAL 102.A O no hydrogen 2.903 N/A TYR 106.A OH THR 118.A O no hydrogen 2.611 N/A LEU 107.A N LYS 103.A O no hydrogen 2.869 N/A LYS 108.A N ASP 104.A O no hydrogen 3.057 N/A LYS 108.A NZ ASN 97.A OD1 no hydrogen 2.687 N/A VAL 109.A N TYR 106.A O no hydrogen 3.301 N/A LYS 110.A N TYR 106.A O no hydrogen 2.942 N/A TYR 113.A N LYS 110.A O no hydrogen 2.871 N/A TYR 113.A OH ARG 116.A O no hydrogen 2.644 N/A THR 118.A OG1 TYR 106.A OH no hydrogen 3.252 N/A VAL 121.A N TYR 43.A O no hydrogen 2.977 N/A LEU 122.A N ASN 132.A O no hydrogen 2.967 N/A TRP 123.A N HIS 41.A O no hydrogen 2.676 N/A ASP 124.A N THR 129.A O no hydrogen 2.955 N/A LYS 125.A N ARG 39.A O no hydrogen 2.888 N/A LYS 125.A NZ GLY 38.A O no hydrogen 3.173 N/A HIS 126.A N ASP 124.A OD1 no hydrogen 3.072 N/A HIS 126.A NE2 GLU 36.A OE1 no hydrogen 2.968 N/A THR 127.A N ASP 124.A OD2 no hydrogen 3.049 N/A THR 127.A OG1 ASP 124.A OD2 no hydrogen 2.366 N/A THR 127.A OG1 THR 129.A OG1 no hydrogen 3.271 N/A GLY 128.A N ASP 124.A O no hydrogen 2.764 N/A THR 129.A OG1 THR 127.A OG1 no hydrogen 3.271 N/A VAL 131.A N LEU 122.A O no hydrogen 2.918 N/A ASN 132.A ND2 ASN 25.A O no hydrogen 2.861 N/A ASN 132.A ND2 GLU 137.A OE1 no hydrogen 2.967 N/A ASN 133.A N PHE 23.A O no hydrogen 2.897 N/A ASN 133.A ND2 TYR 106.A OH no hydrogen 3.059 N/A GLU 134.A N ASN 132.A OD1 no hydrogen 2.824 N/A SER 136.A N GLU 134.A OE2 no hydrogen 3.112 N/A SER 136.A OG GLU 134.A OE2 no hydrogen 2.658 N/A GLU 137.A N GLU 134.A O no hydrogen 2.826 N/A ILE 138.A N GLU 134.A O no hydrogen 2.954 N/A ILE 139.A N SER 135.A O no hydrogen 2.994 N/A ARG 140.A NE GLU 224.A OE1 no hydrogen 2.620 N/A ARG 140.A NH2 ASP 168.A OD1 no hydrogen 3.479 N/A ARG 140.A NH2 GLU 224.A OE2 no hydrogen 2.800 N/A ASN 142.A N ILE 139.A O no hydrogen 3.093 N/A ASN 142.A N ARG 140.A O no hydrogen 3.053 N/A ASN 142.A ND2 LEU 156.A O no hydrogen 3.634 N/A ASN 146.A N THR 143.A O no hydrogen 2.959 N/A ASN 146.A ND2 ASN 142.A O no hydrogen 3.604 N/A LEU 148.A N PHE 145.A O no hydrogen 2.911 N/A LEU 149.A N ASN 146.A O no hydrogen 3.342 N/A ALA 154.A N PRO 150.A O no hydrogen 2.835 N/A LYS 155.A N GLU 151.A O no hydrogen 2.981 N/A TYR 159.A N ASP 157.A OD1 no hydrogen 3.065 N/A TYR 159.A OH ASP 168.A OD1 no hydrogen 2.835 N/A TYR 159.A OH ASP 168.A OD2 no hydrogen 2.951 N/A LEU 163.A N PRO 160.A O no hydrogen 3.048 N/A ARG 164.A N GLU 161.A O no hydrogen 3.262 N/A ARG 164.A NE TYR 159.A O no hydrogen 2.830 N/A ARG 164.A NH2 TYR 159.A O no hydrogen 3.504 N/A ILE 167.A N LEU 163.A O no hydrogen 2.921 N/A ASP 168.A N ARG 164.A O no hydrogen 2.937 N/A GLU 169.A N ALA 165.A O no hydrogen 3.063 N/A VAL 170.A N LYS 166.A O no hydrogen 2.862 N/A ASN 171.A N ILE 167.A O no hydrogen 2.747 N/A ASP 172.A N ASP 168.A O no hydrogen 3.111 N/A VAL 174.A N VAL 170.A O no hydrogen 2.993 N/A TYR 175.A N ASN 171.A O no hydrogen 2.833 N/A ASP 176.A N ASP 172.A O no hydrogen 3.222 N/A THR 177.A N TRP 173.A O no hydrogen 2.880 N/A THR 177.A OG1 TRP 173.A O no hydrogen 2.607 N/A THR 177.A OG1 SER 204.A OG no hydrogen 2.491 N/A VAL 178.A N VAL 174.A O no hydrogen 2.976 N/A ASN 179.A N VAL 174.A O no hydrogen 2.821 N/A ASN 180.A N TYR 175.A O no hydrogen 2.790 N/A VAL 182.A N VAL 178.A O no hydrogen 3.023 N/A LYS 184.A N ASN 180.A O no hydrogen 2.915 N/A LYS 184.A NZ ASP 176.A O no hydrogen 2.970 N/A LYS 184.A NZ ASP 176.A OD1 no hydrogen 3.191 N/A SER 185.A N GLY 181.A O no hydrogen 2.848 N/A SER 185.A OG GLY 181.A O no hydrogen 2.887 N/A GLY 186.A N VAL 182.A O no hydrogen 2.744 N/A PHE 187.A N TYR 183.A O no hydrogen 2.772 N/A SER 189.A N GLY 14.A O no hydrogen 3.004 N/A SER 189.A OG THR 10.A OG1 no hydrogen 2.765 N/A SER 189.A OG GLY 14.A O no hydrogen 3.526 N/A THR 190.A OG1 ASP 13.A O no hydrogen 3.169 N/A GLN 191.A NE2 GLU 195.A OE2 no hydrogen 2.884 N/A ALA 193.A N THR 190.A OG1 no hydrogen 3.256 N/A TYR 194.A N THR 190.A O no hydrogen 3.062 N/A TYR 194.A OH LYS 245.A O no hydrogen 2.560 N/A GLU 195.A N GLN 191.A O no hydrogen 3.090 N/A ALA 196.A N LYS 192.A O no hydrogen 2.995 N/A ALA 197.A N ALA 193.A O no hydrogen 3.318 N/A ALA 197.A N TYR 194.A O no hydrogen 3.280 N/A VAL 198.A N TYR 194.A O no hydrogen 2.902 N/A ILE 199.A N GLU 195.A O no hydrogen 3.207 N/A LEU 201.A N ALA 197.A O no hydrogen 3.245 N/A PHE 202.A N VAL 198.A O no hydrogen 3.189 N/A GLU 203.A N ILE 199.A O no hydrogen 2.920 N/A SER 204.A N PRO 200.A O no hydrogen 2.832 N/A SER 204.A OG THR 177.A OG1 no hydrogen 2.491 N/A SER 204.A OG PRO 200.A O no hydrogen 3.205 N/A LEU 205.A N LEU 201.A O no hydrogen 3.038 N/A ASP 206.A N PHE 202.A O no hydrogen 3.054 N/A ARG 207.A N GLU 203.A O no hydrogen 2.979 N/A LEU 208.A N SER 204.A O no hydrogen 2.816 N/A GLU 209.A N LEU 205.A O no hydrogen 2.720 N/A LYS 210.A N ASP 206.A O no hydrogen 3.019 N/A GLU 212.A N LYS 210.A O no hydrogen 2.954 N/A GLN 214.A N LEU 211.A O no hydrogen 3.158 N/A LEU 217.A N ASP 226.A OD1 no hydrogen 2.785 N/A GLN 221.A N ILE 218.A O no hydrogen 3.484 N/A THR 223.A N ASP 226.A OD2 no hydrogen 2.902 N/A GLU 224.A N LEU 158.A O no hydrogen 2.829 N/A ALA 225.A N THR 223.A OG1 no hydrogen 3.113 N/A ARG 228.A N GLU 224.A O no hydrogen 2.884 N/A LEU 229.A N ALA 225.A O no hydrogen 3.036 N/A PHE 230.A N ASP 226.A O no hydrogen 2.626 N/A VAL 231.A N ILE 227.A O no hydrogen 3.389 N/A THR 232.A N LEU 229.A O no hydrogen 3.050 N/A THR 232.A OG1 ASN 179.A OD1 no hydrogen 2.878 N/A ILE 233.A N LEU 229.A O no hydrogen 3.161 N/A VAL 234.A N PHE 230.A O no hydrogen 2.882 N/A ARG 235.A N THR 232.A O no hydrogen 3.050 N/A ARG 235.A NE ALA 47.A O no hydrogen 2.701 N/A ARG 235.A NH1 TYR 46.A O no hydrogen 2.659 N/A ARG 235.A NH1 ALA 47.A O no hydrogen 3.308 N/A ARG 235.A NH2 VAL 231.A O no hydrogen 2.928 N/A PHE 236.A N ILE 233.A O no hydrogen 2.875 N/A VAL 239.A N ARG 235.A O no hydrogen 2.991 N/A TYR 240.A N ARG 235.A O no hydrogen 3.239 N/A TYR 240.A OH TYR 284.A OH no hydrogen 2.942 N/A VAL 241.A N PHE 236.A O no hydrogen 2.984 N/A HIS 243.A N VAL 239.A O no hydrogen 2.788 N/A HIS 243.A NE2 HIS 288.A ND1 no hydrogen 2.858 N/A PHE 244.A N TYR 240.A O no hydrogen 2.926 N/A CYS 246.A N TYR 240.A O no hydrogen 3.122 N/A CYS 246.A SG PHE 244.A O no hydrogen 3.526 N/A ARG 249.A NH1 TYR 255.A OH no hydrogen 3.116 N/A ILE 251.A N ASP 237.A OD1 no hydrogen 2.791 N/A ARG 252.A N ASP 237.A OD2 no hydrogen 2.843 N/A ARG 252.A NE ASP 237.A OD2 no hydrogen 2.666 N/A ARG 252.A NH1 PRO 303.A O no hydrogen 2.891 N/A ARG 252.A NH2 PRO 303.A O no hydrogen 3.099 N/A ASP 253.A N THR 250.A OG1 no hydrogen 3.023 N/A GLY 254.A N THR 250.A O no hydrogen 2.753 N/A TYR 255.A N ILE 251.A O no hydrogen 3.183 N/A TYR 255.A OH ASP 206.A OD1 no hydrogen 2.907 N/A ASN 257.A N GLU 209.A OE2 no hydrogen 2.633 N/A ASN 257.A ND2 GLU 209.A O no hydrogen 2.684 N/A ASN 257.A ND2 GLU 212.A OE1 no hydrogen 3.203 N/A LEU 258.A N GLU 209.A OE1 no hydrogen 3.095 N/A HIS 259.A N TYR 255.A O no hydrogen 2.830 N/A ARG 260.A N PRO 256.A O no hydrogen 2.931 N/A ARG 260.A NH1 GLN 214.A O no hydrogen 2.907 N/A ARG 260.A NH2 LEU 211.A O no hydrogen 2.732 N/A ARG 260.A NH2 GLN 214.A O no hydrogen 3.247 N/A ARG 260.A NH2 ASN 257.A OD1 no hydrogen 3.391 N/A TRP 261.A N ASN 257.A O no hydrogen 2.736 N/A ARG 262.A NE HIS 259.A O no hydrogen 3.312 N/A ARG 262.A NH1 PRO 307.A O no hydrogen 2.994 N/A ARG 262.A NH1 ASP 309.A OD1 no hydrogen 3.265 N/A ARG 262.A NH1 ASP 309.A OD2 no hydrogen 3.097 N/A ARG 262.A NH2 ASP 309.A OD2 no hydrogen 3.100 N/A LYS 263.A N ARG 260.A O no hydrogen 3.090 N/A LEU 264.A N TRP 261.A O no hydrogen 3.304 N/A TRP 266.A N ARG 262.A O no hydrogen 2.733 N/A TRP 266.A NE1 LEU 306.A O no hydrogen 2.929 N/A GLY 267.A N LYS 263.A O no hydrogen 2.617 N/A ALA 270.A N ASN 268.A OD1 no hydrogen 3.068 N/A PHE 271.A N ASN 268.A O no hydrogen 2.941 N/A LYS 272.A N ASN 268.A O no hydrogen 3.316 N/A ASP 273.A N PRO 269.A O no hydrogen 2.906 N/A THR 274.A OG1 ALA 270.A O no hydrogen 2.693 N/A THR 274.A OG1 PHE 271.A O no hydrogen 3.551 N/A CYS 275.A N LYS 272.A O no hydrogen 3.238 N/A HIS 279.A N ASN 276.A OD1 no hydrogen 3.085 N/A HIS 279.A NE2 PRO 89.A O no hydrogen 2.783 N/A ILE 280.A N ASN 276.A O no hydrogen 2.974 N/A LYS 281.A N PHE 277.A O no hydrogen 2.965 N/A LYS 281.A NZ PRO 298.A O no hydrogen 3.003 N/A LYS 281.A NZ GLY 300.A O no hydrogen 2.966 N/A THR 282.A N GLU 278.A O no hydrogen 2.949 N/A THR 282.A OG1 GLU 278.A O no hydrogen 2.923 N/A HIS 283.A N HIS 279.A O no hydrogen 2.945 N/A HIS 283.A ND1 PRO 74.A O no hydrogen 2.803 N/A TYR 284.A N ILE 280.A O no hydrogen 3.473 N/A TYR 284.A OH TYR 183.A OH no hydrogen 2.255 N/A PHE 285.A N LYS 281.A O no hydrogen 3.154 N/A TRP 286.A N THR 282.A O no hydrogen 2.922 N/A SER 287.A N HIS 283.A O no hydrogen 2.953 N/A SER 287.A OG HIS 283.A ND1 no hydrogen 3.111 N/A SER 287.A OG HIS 283.A O no hydrogen 2.462 N/A HIS 288.A N TYR 284.A O no hydrogen 3.238 N/A HIS 288.A ND1 HIS 243.A NE2 no hydrogen 2.858 N/A THR 289.A N SER 287.A O no hydrogen 3.084 N/A ILE 291.A N HIS 288.A O no hydrogen 2.965 N/A ASN 292.A N HIS 288.A O no hydrogen 2.843 N/A ASN 292.A ND2 PHE 285.A O no hydrogen 2.913 N/A ASN 292.A ND2 ILE 296.A O no hydrogen 2.703 N/A ARG 295.A N ASN 292.A O no hydrogen 3.028 N/A ARG 295.A NH1 TRP 286.A O no hydrogen 2.845 N/A