Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8p5f_AAA.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 5.A N ASP 28.A O no hydrogen 2.732 N/A GLY 6.A N TYR 93.A O no hydrogen 2.881 N/A VAL 7.A N ALA 31.A O no hydrogen 2.889 N/A ASN 8.A N VAL 95.A O no hydrogen 2.794 N/A ASN 8.A ND2 GLU 96.A OE1 no hydrogen 2.850 N/A GLY 9.A N ASN 33.A O no hydrogen 2.917 N/A PHE 10.A N ASP 34.A OD2 no hydrogen 2.776 N/A ARG 12.A NE GLU 315.A OE2 no hydrogen 2.841 N/A ARG 12.A NH1 ASP 49.A OD2 no hydrogen 2.714 N/A ARG 12.A NH2 ASP 49.A OD1 no hydrogen 2.985 N/A ARG 12.A NH2 ASP 49.A OD2 no hydrogen 3.221 N/A ARG 12.A NH2 GLU 315.A OE1 no hydrogen 2.932 N/A ARG 12.A NH2 GLU 315.A OE2 no hydrogen 3.417 N/A ARG 15.A N GLY 11.A O no hydrogen 2.819 N/A ARG 15.A NH1 PHE 10.A O no hydrogen 2.856 N/A LEU 16.A N ARG 12.A O no hydrogen 3.038 N/A VAL 17.A N ILE 13.A O no hydrogen 2.728 N/A THR 18.A N GLY 14.A O no hydrogen 3.146 N/A THR 18.A OG1 GLY 14.A O no hydrogen 2.842 N/A ARG 19.A N ARG 15.A O no hydrogen 2.860 N/A ARG 19.A NH1 GLY 53.A O no hydrogen 3.053 N/A ARG 19.A NH2 PHE 46.A O no hydrogen 3.266 N/A ARG 19.A NH2 GLY 53.A O no hydrogen 2.866 N/A ALA 20.A N LEU 16.A O no hydrogen 2.839 N/A ALA 21.A N VAL 17.A O no hydrogen 2.818 N/A PHE 22.A N THR 18.A O no hydrogen 3.085 N/A ASN 23.A N ARG 19.A O no hydrogen 2.881 N/A SER 24.A N ALA 20.A O no hydrogen 2.919 N/A SER 24.A OG ALA 20.A O no hydrogen 2.935 N/A GLY 25.A N ALA 21.A O no hydrogen 2.955 N/A LYS 26.A N SER 24.A OG no hydrogen 3.212 N/A LYS 26.A NZ ASP 324.A OD1 no hydrogen 2.764 N/A ASP 28.A N VAL 3.A O no hydrogen 2.871 N/A VAL 30.A N VAL 5.A O no hydrogen 2.795 N/A ALA 31.A N VAL 5.A O no hydrogen 3.384 N/A ILE 32.A N THR 74.A O no hydrogen 2.894 N/A ASN 33.A N VAL 7.A O no hydrogen 2.879 N/A ASN 33.A ND2 ASN 8.A OD1 no hydrogen 2.737 N/A ASN 33.A ND2 GLU 78.A O no hydrogen 2.918 N/A ASP 34.A N PHE 76.A O no hydrogen 3.171 N/A PHE 36.A N ASP 34.A OD1 no hydrogen 2.983 N/A ILE 37.A N ASP 34.A O no hydrogen 3.342 N/A TYR 41.A N ASP 38.A OD1 no hydrogen 3.092 N/A MET 42.A N ASP 38.A O no hydrogen 2.854 N/A VAL 43.A N LEU 39.A O no hydrogen 3.210 N/A TYR 44.A N ASN 40.A O no hydrogen 3.475 N/A MET 45.A N TYR 41.A O no hydrogen 2.895 N/A PHE 46.A N MET 42.A O no hydrogen 2.891 N/A GLN 47.A N VAL 43.A O no hydrogen 2.955 N/A TYR 48.A N TYR 44.A O no hydrogen 3.128 N/A THR 51.A N ASP 49.A OD1 no hydrogen 3.067 N/A HIS 52.A N ASP 49.A OD1 no hydrogen 2.818 N/A HIS 52.A ND1 SER 286.A OG no hydrogen 2.735 N/A HIS 52.A NE2 GLU 315.A OE1 no hydrogen 2.691 N/A GLY 53.A N ASP 49.A O no hydrogen 2.957 N/A PHE 55.A N GLN 47.A O no hydrogen 2.871 N/A THR 58.A N ASN 69.A OD1 no hydrogen 3.087 N/A LYS 60.A N VAL 67.A O no hydrogen 3.061 N/A LYS 60.A NZ GLU 62.A OE2 no hydrogen 3.136 N/A GLU 62.A N LYS 65.A O no hydrogen 2.953 N/A LYS 65.A N GLU 62.A O no hydrogen 3.074 N/A LEU 66.A N ILE 73.A O no hydrogen 3.016 N/A VAL 67.A N LYS 60.A O no hydrogen 2.840 N/A ILE 68.A N ASN 71.A O no hydrogen 3.022 N/A ASN 69.A N THR 58.A O no hydrogen 2.934 N/A ASN 71.A N ILE 68.A O no hydrogen 2.855 N/A ASN 71.A ND2 ILE 68.A O no hydrogen 2.929 N/A ILE 73.A N LEU 66.A O no hydrogen 2.700 N/A THR 74.A N VAL 30.A O no hydrogen 2.988 N/A PHE 76.A N ILE 32.A O no hydrogen 2.884 N/A GLN 77.A NE2 ILE 37.A O no hydrogen 3.001 N/A GLN 77.A NE2 PHE 76.A O no hydrogen 2.951 N/A GLU 78.A N ASN 33.A OD1 no hydrogen 2.784 N/A SER 82.A N ASP 80.A OD1 no hydrogen 2.920 N/A SER 82.A OG ASP 80.A OD1 no hydrogen 2.615 N/A SER 82.A OG ASP 80.A OD2 no hydrogen 3.444 N/A LYS 83.A N ASP 80.A O no hydrogen 2.942 N/A ILE 84.A N PRO 81.A O no hydrogen 3.283 N/A TRP 86.A N ILE 84.A O no hydrogen 3.046 N/A TRP 86.A NE1 HIS 110.A ND1 no hydrogen 2.897 N/A GLY 87.A N GLY 113.A O no hydrogen 2.933 N/A ALA 89.A N LYS 85.A O no hydrogen 3.284 N/A ALA 89.A N TRP 86.A O no hydrogen 3.008 N/A GLY 90.A N GLY 87.A O no hydrogen 3.038 N/A ALA 91.A N TRP 86.A O no hydrogen 2.990 N/A GLU 92.A N LYS 4.A O no hydrogen 2.946 N/A TYR 93.A N LYS 4.A O no hydrogen 3.156 N/A TYR 93.A OH GLU 333.A OE1 no hydrogen 2.596 N/A VAL 94.A N ARG 117.A O no hydrogen 2.877 N/A VAL 95.A N GLY 6.A O no hydrogen 2.791 N/A GLU 96.A N ILE 119.A O no hydrogen 2.818 N/A SER 97.A N ASN 8.A O no hydrogen 2.820 N/A SER 97.A OG ASN 8.A O no hydrogen 2.947 N/A SER 97.A OG GLY 9.A O no hydrogen 2.841 N/A THR 98.A N GLU 96.A OE2 no hydrogen 3.162 N/A THR 98.A OG1 GLU 96.A OE2 no hydrogen 2.808 N/A VAL 100.A N THR 98.A OG1 no hydrogen 2.939 N/A MET 104.A N ASP 126.A OD1 no hydrogen 2.904 N/A LYS 106.A N THR 103.A OG1 no hydrogen 3.201 N/A ALA 107.A N THR 103.A O no hydrogen 2.857 N/A GLY 108.A N MET 104.A O no hydrogen 2.808 N/A ALA 109.A N LYS 106.A O no hydrogen 3.200 N/A HIS 110.A N ALA 107.A O no hydrogen 3.221 N/A HIS 110.A NE2 GLU 96.A OE1 no hydrogen 2.804 N/A LEU 111.A N GLY 108.A O no hydrogen 3.024 N/A GLN 112.A N ALA 109.A O no hydrogen 2.949 N/A GLY 113.A N HIS 110.A O no hydrogen 3.292 N/A GLY 114.A N LEU 111.A O no hydrogen 3.114 N/A ALA 115.A N HIS 110.A O no hydrogen 3.264 N/A LYS 116.A N GLU 92.A O no hydrogen 2.738 N/A ARG 117.A N GLU 92.A O no hydrogen 3.215 N/A ARG 117.A NE GLU 333.A OE1 no hydrogen 2.792 N/A ARG 117.A NH1 ASN 141.A O no hydrogen 2.930 N/A ARG 117.A NH1 LEU 143.A O no hydrogen 2.815 N/A ARG 117.A NH2 ASN 141.A O no hydrogen 3.127 N/A ARG 117.A NH2 GLU 333.A OE1 no hydrogen 3.448 N/A ARG 117.A NH2 GLU 333.A OE2 no hydrogen 3.015 N/A VAL 118.A N LYS 144.A O no hydrogen 2.828 N/A ILE 119.A N VAL 94.A O no hydrogen 2.814 N/A ILE 120.A N ILE 146.A O no hydrogen 2.783 N/A SER 121.A N GLU 96.A O no hydrogen 2.980 N/A SER 121.A OG GLU 96.A O no hydrogen 3.303 N/A SER 124.A OG THR 102.A O no hydrogen 2.620 N/A SER 124.A OG ASP 126.A OD1 no hydrogen 3.408 N/A ASP 126.A N SER 124.A OG no hydrogen 3.235 N/A ALA 127.A N SER 124.A OG no hydrogen 2.855 N/A PHE 130.A N SER 147.A O no hydrogen 2.853 N/A VAL 131.A N ASN 135.A OD1 no hydrogen 2.881 N/A GLY 133.A N HIS 136.A ND1 no hydrogen 2.965 N/A VAL 134.A N VAL 131.A O no hydrogen 2.970 N/A ASN 135.A N VAL 131.A O no hydrogen 3.123 N/A ASN 135.A ND2 MET 129.A O no hydrogen 3.126 N/A LYS 138.A N ASN 135.A O no hydrogen 2.974 N/A TYR 139.A N HIS 136.A O no hydrogen 3.109 N/A ASN 141.A ND2 LYS 332.A O no hydrogen 2.830 N/A SER 142.A N ASP 140.A OD1 no hydrogen 2.787 N/A SER 142.A OG ASP 140.A OD1 no hydrogen 2.483 N/A LEU 143.A N ASP 140.A O no hydrogen 3.038 N/A ILE 146.A N VAL 118.A O no hydrogen 2.961 N/A SER 147.A N PRO 128.A O no hydrogen 2.862 N/A SER 147.A OG ALA 122.A O no hydrogen 2.555 N/A ASN 148.A N ILE 120.A O no hydrogen 2.922 N/A ALA 149.A N SER 147.A OG no hydrogen 2.937 N/A SER 150.A OG THR 152.A OG1 no hydrogen 3.052 N/A THR 151.A OG1 TYR 312.A OH no hydrogen 2.650 N/A THR 152.A N SER 150.A OG no hydrogen 3.059 N/A THR 152.A OG1 SER 150.A OG no hydrogen 3.052 N/A THR 152.A OG1 ALA 211.A O no hydrogen 3.209 N/A ASN 153.A N SER 150.A O no hydrogen 3.073 N/A ASN 153.A ND2 ASN 148.A O no hydrogen 2.881 N/A ASN 153.A ND2 SER 150.A O no hydrogen 2.952 N/A CYS 154.A N THR 151.A O no hydrogen 2.970 N/A CYS 154.A SG SER 291.A OG no hydrogen 3.576 N/A CYS 154.A SG SER 310.A O no hydrogen 3.684 N/A CYS 154.A SG SER 310.A OG no hydrogen 3.777 N/A LEU 155.A N THR 151.A O no hydrogen 2.860 N/A ALA 156.A N THR 152.A O no hydrogen 2.872 N/A ALA 159.A N LEU 155.A O no hydrogen 2.791 N/A LYS 160.A N ALA 156.A O no hydrogen 2.828 N/A LYS 160.A NZ ASP 164.A OD2 no hydrogen 3.163 N/A VAL 161.A N PRO 157.A O no hydrogen 3.322 N/A ILE 162.A N LEU 158.A O no hydrogen 3.022 N/A HIS 163.A N ALA 159.A O no hydrogen 2.696 N/A HIS 163.A NE2 GLU 221.A OE2 no hydrogen 2.707 N/A ASP 164.A N LYS 160.A O no hydrogen 2.867 N/A ASN 165.A N VAL 161.A O no hydrogen 3.241 N/A ASN 165.A ND2 VAL 161.A O no hydrogen 2.933 N/A PHE 166.A N ILE 162.A O no hydrogen 2.845 N/A GLY 167.A N HIS 163.A O no hydrogen 2.934 N/A ILE 168.A N HIS 163.A ND1 no hydrogen 3.066 N/A VAL 169.A N ARG 246.A O no hydrogen 2.926 N/A GLY 171.A N LYS 225.A O no hydrogen 2.922 N/A LEU 172.A N THR 244.A O no hydrogen 2.867 N/A MET 173.A N THR 227.A O no hydrogen 2.957 N/A THR 174.A N ASP 242.A O no hydrogen 2.923 N/A THR 175.A N MET 229.A O no hydrogen 2.996 N/A THR 175.A OG1 VAL 240.A O no hydrogen 3.207 N/A THR 175.A OG1 TYR 312.A OH no hydrogen 2.739 N/A VAL 176.A N VAL 240.A O no hydrogen 2.882 N/A HIS 177.A N PHE 231.A O no hydrogen 2.793 N/A HIS 177.A ND1 ALA 178.A O no hydrogen 2.629 N/A ALA 178.A N SER 239.A OG no hydrogen 3.050 N/A ILE 179.A N THR 235.A O no hydrogen 2.930 N/A THR 180.A OG1 THR 182.A OG1 no hydrogen 3.159 N/A THR 182.A OG1 THR 180.A OG1 no hydrogen 3.159 N/A GLN 183.A N THR 180.A O no hydrogen 3.015 N/A GLY 188.A N GLY 197.A O no hydrogen 2.765 N/A SER 190.A OG LEU 193.A O no hydrogen 2.601 N/A LEU 193.A N SER 190.A O no hydrogen 3.173 N/A ASP 196.A N LEU 193.A O no hydrogen 3.041 N/A GLY 197.A N TRP 194.A O no hydrogen 3.108 N/A ARG 198.A N ARG 195.A O no hydrogen 3.103 N/A ARG 198.A NE ASP 187.A OD1 no hydrogen 3.337 N/A ARG 198.A NE ASP 187.A OD2 no hydrogen 3.470 N/A GLY 199.A N ASP 187.A OD1 no hydrogen 2.874 N/A ALA 200.A N LYS 184.A O no hydrogen 2.832 N/A ASN 203.A ND2 GLY 199.A O no hydrogen 2.775 N/A ILE 205.A N ARG 232.A O no hydrogen 2.915 N/A ALA 207.A N ALA 230.A O no hydrogen 2.828 N/A ALA 211.A N THR 209.A OG1 no hydrogen 3.012 N/A ALA 214.A N GLY 210.A O no hydrogen 2.942 N/A VAL 215.A N ALA 211.A O no hydrogen 3.294 N/A VAL 215.A N ALA 212.A O no hydrogen 3.184 N/A GLY 216.A N LYS 213.A O no hydrogen 2.853 N/A LYS 217.A N ALA 214.A O no hydrogen 2.904 N/A VAL 218.A N ALA 214.A O no hydrogen 3.209 N/A ILE 219.A N VAL 215.A O no hydrogen 2.687 N/A LEU 222.A N ILE 219.A O no hydrogen 2.822 N/A ASN 223.A N PRO 220.A O no hydrogen 2.998 N/A LYS 225.A N LEU 222.A O no hydrogen 2.960 N/A LYS 225.A NZ ILE 168.A O no hydrogen 3.410 N/A THR 227.A N GLY 171.A O no hydrogen 3.431 N/A GLY 228.A N THR 227.A OG1 no hydrogen 2.783 N/A MET 229.A N MET 173.A O no hydrogen 2.973 N/A ALA 230.A N ALA 207.A O no hydrogen 2.937 N/A PHE 231.A N THR 175.A O no hydrogen 2.802 N/A ARG 232.A N ILE 205.A O no hydrogen 2.866 N/A ARG 232.A NH1 THR 180.A OG1 no hydrogen 2.874 N/A ARG 232.A NH1 GLN 183.A OE1 no hydrogen 2.972 N/A VAL 233.A N HIS 177.A O no hydrogen 2.990 N/A THR 235.A N VAL 233.A O no hydrogen 2.864 N/A ASN 237.A ND2 ASN 285.A OD1 no hydrogen 3.054 N/A ASN 237.A ND2 ASP 313.A OD1 no hydrogen 2.943 N/A ASN 237.A ND2 ASP 313.A OD2 no hydrogen 3.106 N/A SER 239.A N TYR 312.A O no hydrogen 2.848 N/A SER 239.A OG ASN 314.A OD1 no hydrogen 2.853 N/A VAL 240.A N VAL 176.A O no hydrogen 2.938 N/A VAL 241.A N SER 310.A O no hydrogen 2.808 N/A ASP 242.A N THR 174.A O no hydrogen 2.823 N/A LEU 243.A N LEU 308.A O no hydrogen 2.841 N/A THR 244.A N LEU 172.A O no hydrogen 2.852 N/A CYS 245.A N VAL 306.A O no hydrogen 2.889 N/A ARG 246.A N GLU 170.A O no hydrogen 2.932 N/A ARG 246.A NH1 GLU 170.A OE2 no hydrogen 3.055 N/A LEU 247.A N HIS 304.A O no hydrogen 2.877 N/A GLU 248.A N GLY 167.A O no hydrogen 2.773 N/A LYS 249.A N PHE 166.A O no hydrogen 2.882 N/A ALA 251.A N ASP 303.A O no hydrogen 2.688 N/A TYR 253.A OH ALA 295.A O no hydrogen 2.546 N/A ASP 255.A N LYS 252.A O no hydrogen 2.832 N/A ILE 256.A N LYS 252.A O no hydrogen 3.031 N/A LYS 257.A N TYR 253.A O no hydrogen 2.941 N/A LYS 258.A N ASP 254.A O no hydrogen 3.087 N/A VAL 259.A N ASP 255.A O no hydrogen 3.167 N/A VAL 260.A N ILE 256.A O no hydrogen 3.042 N/A LYS 261.A N LYS 257.A O no hydrogen 2.925 N/A GLN 262.A N LYS 258.A O no hydrogen 2.950 N/A ALA 263.A N VAL 259.A O no hydrogen 2.918 N/A SER 264.A N VAL 260.A O no hydrogen 2.867 N/A SER 264.A OG LYS 261.A O no hydrogen 2.630 N/A GLU 265.A N LYS 261.A O no hydrogen 3.054 N/A GLU 265.A N GLN 262.A O no hydrogen 3.238 N/A GLY 266.A N ALA 263.A O no hydrogen 3.265 N/A LEU 268.A N ALA 263.A O no hydrogen 3.017 N/A LYS 269.A N GLY 266.A O no hydrogen 3.146 N/A ILE 271.A N LEU 268.A O no hydrogen 2.864 N/A LEU 272.A N LEU 268.A O no hydrogen 2.912 N/A GLY 273.A N SER 291.A O no hydrogen 2.652 N/A TYR 274.A OH GLU 276.A OE2 no hydrogen 2.542 N/A THR 275.A N PHE 293.A O no hydrogen 3.022 N/A HIS 277.A N THR 275.A OG1 no hydrogen 3.000 N/A VAL 280.A N ASP 283.A OD2 no hydrogen 2.977 N/A ASP 283.A N VAL 280.A O no hydrogen 2.920 N/A PHE 284.A N SER 281.A O no hydrogen 2.890 N/A ASN 285.A N SER 282.A O no hydrogen 3.142 N/A ASN 285.A ND2 THR 51.A O no hydrogen 2.884 N/A SER 286.A N ASP 313.A OD2 no hydrogen 2.694 N/A SER 286.A OG HIS 52.A ND1 no hydrogen 2.735 N/A ASP 287.A N PHE 284.A O no hydrogen 3.021 N/A HIS 289.A N ASP 287.A OD1 no hydrogen 2.883 N/A HIS 289.A ND1 ASP 287.A OD1 no hydrogen 2.762 N/A SER 290.A N ILE 271.A O no hydrogen 2.802 N/A SER 291.A N ILE 271.A O no hydrogen 3.156 N/A SER 291.A OG CYS 154.A O no hydrogen 2.761 N/A SER 291.A OG SER 310.A OG no hydrogen 2.566 N/A THR 292.A N TRP 311.A O no hydrogen 2.906 N/A PHE 293.A N GLY 273.A O no hydrogen 2.954 N/A ASP 294.A N ILE 309.A O no hydrogen 2.871 N/A ALA 295.A N THR 275.A O no hydrogen 2.966 N/A ALA 297.A N ASP 294.A O no hydrogen 3.364 N/A ALA 297.A N ASP 294.A OD1 no hydrogen 3.054 N/A ILE 299.A N LYS 307.A O no hydrogen 3.008 N/A LEU 301.A N PHE 305.A O no hydrogen 2.979 N/A ASN 302.A N PHE 305.A O no hydrogen 3.391 N/A HIS 304.A N ASN 302.A OD1 no hydrogen 2.842 N/A PHE 305.A N ASN 302.A O no hydrogen 3.425 N/A VAL 306.A N CYS 245.A O no hydrogen 3.057 N/A LYS 307.A N ILE 299.A O no hydrogen 2.791 N/A LYS 307.A NZ ASP 242.A OD1 no hydrogen 2.958 N/A LYS 307.A NZ THR 244.A OG1 no hydrogen 2.914 N/A LEU 308.A N LEU 243.A O no hydrogen 2.827 N/A SER 310.A N VAL 241.A O no hydrogen 3.000 N/A SER 310.A OG SER 291.A OG no hydrogen 2.566 N/A TRP 311.A N THR 292.A O no hydrogen 2.819 N/A TRP 311.A NE1 ASP 294.A OD2 no hydrogen 2.841 N/A TYR 312.A N SER 239.A O no hydrogen 2.874 N/A TYR 312.A OH THR 151.A OG1 no hydrogen 2.650 N/A TYR 312.A OH THR 175.A OG1 no hydrogen 2.739 N/A GLU 315.A N ASP 313.A OD1 no hydrogen 2.916 N/A PHE 316.A N ASP 313.A OD1 no hydrogen 2.767 N/A GLY 317.A N ASP 313.A O no hydrogen 3.021 N/A TYR 318.A OH ALA 149.A O no hydrogen 2.650 N/A SER 319.A N GLU 315.A O no hydrogen 3.136 N/A SER 319.A OG GLU 315.A O no hydrogen 2.748 N/A ASN 320.A N PHE 316.A O no hydrogen 3.115 N/A ASN 320.A ND2 PHE 316.A O no hydrogen 2.878 N/A ARG 321.A N GLY 317.A O no hydrogen 2.990 N/A ARG 321.A NE ASP 324.A OD2 no hydrogen 2.785 N/A ARG 321.A NH1 THR 288.A O no hydrogen 2.837 N/A ARG 321.A NH1 SER 290.A OG no hydrogen 3.051 N/A ARG 321.A NH2 THR 288.A O no hydrogen 3.095 N/A ARG 321.A NH2 ASP 324.A OD2 no hydrogen 3.156 N/A VAL 322.A N TYR 318.A O no hydrogen 2.956 N/A VAL 323.A N SER 319.A O no hydrogen 3.323 N/A ASP 324.A N ASN 320.A O no hydrogen 2.837 N/A LEU 325.A N ARG 321.A O no hydrogen 2.835 N/A MET 326.A N VAL 322.A O no hydrogen 3.040 N/A ALA 327.A N VAL 323.A O no hydrogen 3.023 N/A HIS 328.A N ASP 324.A O no hydrogen 2.986 N/A MET 329.A N LEU 325.A O no hydrogen 2.830 N/A ALA 330.A N MET 326.A O no hydrogen 2.915 N/A SER 331.A N ALA 327.A O no hydrogen 3.089 N/A SER 331.A OG HIS 328.A O no hydrogen 2.635 N/A LYS 332.A N MET 329.A O no hydrogen 3.020 N/A GLU 333.A N ALA 330.A O no hydrogen 3.243 N/A