Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8aoh_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 4.A N GLN 7.A O no hydrogen 2.868 N/A GLN 7.A NE2 GLY 6.A O no hydrogen 3.671 N/A PHE 9.A N GLU 2.A O no hydrogen 3.190 N/A ASP 10.A N TYR 88.A OH no hydrogen 3.125 N/A ARG 14.A NE ASP 34.A OD1 no hydrogen 2.818 N/A ARG 14.A NH2 ASP 34.A OD1 no hydrogen 3.448 N/A ARG 14.A NH2 ASP 34.A OD2 no hydrogen 2.984 N/A TYR 15.A OH ASP 74.A OD2 no hydrogen 2.716 N/A THR 16.A N TYR 33.A O no hydrogen 3.110 N/A SER 19.A N SER 31.A O no hydrogen 2.931 N/A TYR 20.A OH GLU 23.A OE1 no hydrogen 2.911 N/A ILE 21.A N VAL 29.A O no hydrogen 2.932 N/A GLY 22.A N VAL 29.A O no hydrogen 3.307 N/A GLY 24.A N GLY 27.A O no hydrogen 3.086 N/A TYR 26.A OH ARG 53.A O no hydrogen 3.412 N/A VAL 29.A N GLY 22.A O no hydrogen 3.081 N/A CYS 30.A N ILE 43.A O no hydrogen 2.971 N/A SER 31.A N SER 19.A O no hydrogen 2.840 N/A SER 31.A OG SER 19.A O no hydrogen 3.265 N/A ALA 32.A N VAL 41.A O no hydrogen 3.016 N/A TYR 33.A N THR 16.A O no hydrogen 2.737 N/A ASP 34.A N VAL 39.A O no hydrogen 2.899 N/A ASN 35.A N ARG 14.A O no hydrogen 2.876 N/A ASN 35.A ND2 ARG 14.A O no hydrogen 3.073 N/A ASN 35.A ND2 THR 16.A OG1 no hydrogen 2.751 N/A VAL 36.A N ASP 34.A OD1 no hydrogen 2.998 N/A ASN 37.A N ASP 34.A OD1 no hydrogen 3.447 N/A LYS 38.A N ASP 34.A O no hydrogen 2.837 N/A ARG 40.A NH1 ASN 17.A O no hydrogen 3.064 N/A ARG 40.A NH2 ASN 17.A O no hydrogen 2.864 N/A ARG 40.A NH2 SER 31.A OG no hydrogen 2.967 N/A VAL 41.A N ALA 32.A O no hydrogen 2.851 N/A ALA 42.A N GLN 91.A O no hydrogen 2.872 N/A ILE 43.A N CYS 30.A O no hydrogen 2.832 N/A LYS 44.A N ILE 89.A O no hydrogen 2.920 N/A LYS 44.A NZ GLU 57.A OE2 no hydrogen 3.463 N/A LYS 44.A NZ GLN 91.A OE1 no hydrogen 3.257 N/A LYS 45.A N MET 28.A O no hydrogen 2.843 N/A LYS 45.A NZ VAL 8.A O no hydrogen 2.880 N/A ILE 46.A N VAL 87.A O no hydrogen 2.842 N/A SER 47.A OG ASP 86.A OD2 no hydrogen 2.541 N/A TYR 50.A OH MET 84.A O no hydrogen 3.068 N/A TYR 50.A OH LYS 85.A O no hydrogen 2.486 N/A THR 54.A N CYS 51.A O no hydrogen 3.262 N/A ARG 56.A N GLN 52.A O no hydrogen 2.965 N/A ARG 56.A NH2 GLY 154.A O no hydrogen 2.716 N/A GLU 57.A N ARG 53.A O no hydrogen 2.955 N/A ILE 58.A N THR 54.A O no hydrogen 2.955 N/A LYS 59.A N LEU 55.A O no hydrogen 2.909 N/A ILE 60.A N ARG 56.A O no hydrogen 2.992 N/A LEU 61.A N GLU 57.A O no hydrogen 2.912 N/A LEU 62.A N ILE 58.A O no hydrogen 2.966 N/A ARG 63.A N LYS 59.A O no hydrogen 3.191 N/A ARG 63.A N ILE 60.A O no hydrogen 2.989 N/A PHE 64.A N ILE 60.A O no hydrogen 2.868 N/A ARG 65.A N TYR 125.A OH no hydrogen 3.085 N/A ASN 68.A N HIS 66.A ND1 no hydrogen 2.869 N/A ASN 68.A ND2 GLN 118.A OE1 no hydrogen 3.285 N/A ASN 68.A ND2 LEU 148.A O no hydrogen 2.995 N/A ILE 69.A N HIS 66.A O no hydrogen 3.127 N/A ILE 70.A N ILE 150.A O no hydrogen 2.975 N/A ASN 73.A N VAL 90.A O no hydrogen 2.808 N/A ASN 73.A ND2 ASP 92.A OD2 no hydrogen 3.148 N/A ASP 74.A N VAL 90.A O no hydrogen 3.406 N/A ILE 76.A N TYR 88.A O no hydrogen 2.813 N/A ARG 77.A NE THR 328.A OG1 no hydrogen 2.825 N/A ARG 77.A NH1 ALA 78.A O no hydrogen 2.894 N/A ARG 77.A NH2 PHE 325.A O no hydrogen 2.861 N/A THR 80.A OG1 GLN 83.A OE1 no hydrogen 2.764 N/A GLU 82.A N GLU 82.A OE2 no hydrogen 2.831 N/A GLN 83.A N THR 80.A OG1 no hydrogen 3.240 N/A MET 84.A N ILE 81.A O no hydrogen 3.173 N/A VAL 87.A N ILE 46.A O no hydrogen 2.869 N/A TYR 88.A N ILE 76.A O no hydrogen 2.830 N/A ILE 89.A N LYS 44.A O no hydrogen 2.908 N/A VAL 90.A N ASP 74.A O no hydrogen 2.871 N/A GLN 91.A N ALA 42.A O no hydrogen 2.885 N/A GLN 91.A NE2 GLY 71.A O no hydrogen 3.222 N/A GLU 95.A N LEU 143.A O no hydrogen 2.928 N/A THR 96.A N LEU 143.A O no hydrogen 3.172 N/A THR 96.A OG1 ASP 97.A O no hydrogen 3.538 N/A LEU 98.A N PRO 138.A O no hydrogen 3.234 N/A LEU 98.A N LEU 141.A O no hydrogen 2.887 N/A LYS 100.A N ASP 97.A OD1 no hydrogen 2.883 N/A LEU 101.A N ASP 97.A O no hydrogen 2.989 N/A LEU 102.A N LEU 98.A O no hydrogen 2.921 N/A LYS 103.A N TYR 99.A O no hydrogen 3.185 N/A LYS 103.A N LYS 100.A O no hydrogen 3.242 N/A THR 104.A N LEU 101.A O no hydrogen 3.229 N/A THR 104.A OG1 LYS 100.A O no hydrogen 3.328 N/A THR 104.A OG1 LEU 101.A O no hydrogen 3.513 N/A GLN 105.A N LEU 101.A O no hydrogen 2.839 N/A SER 108.A OG HIS 111.A ND1 no hydrogen 2.666 N/A HIS 111.A N SER 108.A OG no hydrogen 2.963 N/A HIS 111.A ND1 SER 108.A OG no hydrogen 2.666 N/A ILE 112.A N SER 108.A O no hydrogen 3.014 N/A CYS 113.A N ASN 109.A O no hydrogen 2.918 N/A CYS 113.A SG TYR 297.A O no hydrogen 3.356 N/A TYR 114.A N ASP 110.A O no hydrogen 3.041 N/A TYR 114.A OH ASP 147.A OD1 no hydrogen 3.088 N/A PHE 115.A N HIS 111.A O no hydrogen 2.820 N/A LEU 116.A N ILE 112.A O no hydrogen 2.886 N/A TYR 117.A N CYS 113.A O no hydrogen 2.915 N/A TYR 117.A OH GLU 307.A OE1 no hydrogen 2.599 N/A GLN 118.A N TYR 114.A O no hydrogen 3.021 N/A GLN 118.A NE2 TYR 114.A O no hydrogen 3.418 N/A ILE 119.A N PHE 115.A O no hydrogen 2.930 N/A LEU 120.A N LEU 116.A O no hydrogen 2.970 N/A ARG 121.A N TYR 117.A O no hydrogen 2.838 N/A ARG 121.A NE ASP 306.A O no hydrogen 2.840 N/A ARG 121.A NH1 GLU 67.A OE2 no hydrogen 3.141 N/A ARG 121.A NH1 ASP 306.A O no hydrogen 2.935 N/A ARG 121.A NH1 ASP 306.A OD2 no hydrogen 3.511 N/A ARG 121.A NH2 GLU 67.A OE2 no hydrogen 2.957 N/A ARG 121.A NH2 ASN 68.A OD1 no hydrogen 2.851 N/A GLY 122.A N GLN 118.A O no hydrogen 3.007 N/A LEU 123.A N ILE 119.A O no hydrogen 2.857 N/A LYS 124.A N LEU 120.A O no hydrogen 2.785 N/A LYS 124.A NZ GLU 307.A O no hydrogen 2.831 N/A TYR 125.A N ARG 121.A O no hydrogen 3.368 N/A ILE 126.A N GLY 122.A O no hydrogen 3.031 N/A HIS 127.A N LEU 123.A O no hydrogen 2.886 N/A HIS 127.A NE2 ASP 195.A OD2 no hydrogen 2.754 N/A SER 128.A N LYS 124.A O no hydrogen 2.838 N/A SER 128.A OG TYR 125.A O no hydrogen 2.709 N/A ALA 129.A N TYR 125.A O no hydrogen 3.131 N/A ALA 129.A N ILE 126.A O no hydrogen 3.013 N/A ASN 130.A N HIS 127.A O no hydrogen 2.880 N/A VAL 131.A N ILE 126.A O no hydrogen 3.253 N/A LEU 132.A N ARG 157.A O no hydrogen 2.817 N/A HIS 133.A N ASP 195.A OD2 no hydrogen 3.000 N/A HIS 133.A NE2 CYS 151.A O no hydrogen 2.889 N/A ARG 134.A N ASP 195.A OD1 no hydrogen 2.928 N/A ARG 134.A NE LEU 155.A O no hydrogen 2.789 N/A ARG 134.A NH1 LEU 155.A O no hydrogen 3.222 N/A ASP 135.A N HIS 133.A ND1 no hydrogen 2.949 N/A LYS 137.A NZ THR 175.A OG1 no hydrogen 2.772 N/A ASN 140.A N LYS 137.A O no hydrogen 2.957 N/A ASN 140.A ND2 ASP 135.A O no hydrogen 2.865 N/A LEU 141.A N PRO 138.A O no hydrogen 3.136 N/A LEU 142.A N LYS 149.A O no hydrogen 2.858 N/A LEU 143.A N THR 96.A O no hydrogen 2.957 N/A ASN 144.A N ASP 147.A O no hydrogen 3.046 N/A ASN 144.A ND2 ASP 147.A OD2 no hydrogen 3.071 N/A THR 146.A N ASN 144.A OD1 no hydrogen 3.013 N/A THR 146.A OG1 ASN 144.A OD1 no hydrogen 3.101 N/A THR 146.A OG1 ASP 147.A OD2 no hydrogen 2.923 N/A LEU 148.A N GLN 118.A OE1 no hydrogen 2.850 N/A LYS 149.A N LEU 142.A O no hydrogen 2.841 N/A LYS 149.A NZ GLU 67.A O no hydrogen 2.882 N/A ILE 150.A N ASN 68.A O no hydrogen 2.865 N/A CYS 151.A N ASN 140.A O no hydrogen 2.962 N/A CYS 151.A SG ASN 140.A OD1 no hydrogen 4.043 N/A PHE 153.A N GLU 57.A OE1 no hydrogen 2.733 N/A GLY 154.A N ASP 152.A OD1 no hydrogen 3.023 N/A ALA 156.A N PHE 153.A O no hydrogen 3.209 N/A ARG 157.A N LEU 132.A O no hydrogen 3.094 N/A ARG 157.A NH1 ALA 156.A O no hydrogen 2.995 N/A ALA 159.A N ASN 130.A O no hydrogen 2.829 N/A ASP 160.A N TYR 190.A O no hydrogen 2.871 N/A HIS 163.A N ASP 160.A O no hydrogen 3.093 N/A ASP 164.A N PRO 161.A O no hydrogen 3.279 N/A THR 166.A N ASN 186.A O no hydrogen 3.103 N/A THR 166.A OG1 THR 170.A OG1 no hydrogen 2.978 N/A LEU 169.A N MET 184.A O no hydrogen 3.309 N/A THR 170.A OG1 THR 166.A OG1 no hydrogen 2.978 N/A THR 170.A OG1 GLY 167.A O no hydrogen 2.808 N/A THR 175.A N ASP 135.A OD1 no hydrogen 3.072 N/A THR 175.A OG1 ASP 135.A OD1 no hydrogen 2.713 N/A THR 175.A OG1 ASP 135.A OD2 no hydrogen 3.515 N/A ARG 176.A NH1 GLY 215.A O no hydrogen 3.431 N/A TRP 177.A NE1 GLY 215.A O no hydrogen 2.965 N/A TYR 178.A N THR 175.A O no hydrogen 3.261 N/A TYR 178.A OH GLU 205.A OE1 no hydrogen 2.596 N/A ARG 179.A N ARG 176.A O no hydrogen 3.161 N/A ARG 179.A NE ALA 174.A O no hydrogen 2.842 N/A ARG 179.A NH2 ALA 174.A O no hydrogen 2.841 N/A GLU 182.A N GLU 182.A OE1 no hydrogen 2.781 N/A ILE 183.A N ALA 180.A O no hydrogen 3.124 N/A MET 184.A N PRO 181.A O no hydrogen 3.110 N/A LEU 185.A N GLU 182.A O no hydrogen 3.006 N/A ASN 186.A N GLU 182.A O no hydrogen 2.802 N/A SER 187.A OG ASP 164.A OD1 no hydrogen 3.119 N/A SER 187.A OG ASP 164.A OD2 no hydrogen 2.769 N/A LYS 188.A N ASP 164.A O no hydrogen 2.816 N/A GLY 189.A N SER 187.A OG no hydrogen 3.148 N/A TYR 190.A N ASP 164.A OD1 no hydrogen 2.824 N/A THR 191.A OG1 SER 193.A OG no hydrogen 2.753 N/A LYS 192.A NZ HIS 127.A O no hydrogen 2.987 N/A SER 193.A OG THR 191.A OG1 no hydrogen 2.753 N/A ILE 194.A N THR 191.A O no hydrogen 3.043 N/A ASP 195.A N LYS 192.A O no hydrogen 3.025 N/A TRP 197.A N SER 193.A O no hydrogen 3.240 N/A SER 198.A N ILE 194.A O no hydrogen 3.460 N/A SER 198.A OG TYR 178.A O no hydrogen 2.904 N/A SER 198.A OG ILE 194.A O no hydrogen 3.357 N/A VAL 199.A N ASP 195.A O no hydrogen 2.992 N/A GLY 200.A N ILE 196.A O no hydrogen 2.931 N/A CYS 201.A N TRP 197.A O no hydrogen 2.955 N/A CYS 201.A SG TRP 177.A O no hydrogen 3.873 N/A CYS 201.A SG TRP 197.A O no hydrogen 3.595 N/A ILE 202.A N SER 198.A O no hydrogen 2.968 N/A LEU 203.A N VAL 199.A O no hydrogen 2.825 N/A ALA 204.A N GLY 200.A O no hydrogen 2.988 N/A GLU 205.A N CYS 201.A O no hydrogen 2.984 N/A MET 206.A N ILE 202.A O no hydrogen 2.881 N/A LEU 207.A N LEU 203.A O no hydrogen 3.021 N/A LEU 207.A N ALA 204.A O no hydrogen 3.071 N/A SER 208.A N ALA 204.A O no hydrogen 3.258 N/A SER 208.A OG ALA 204.A O no hydrogen 3.379 N/A ASN 209.A N GLU 205.A O no hydrogen 2.690 N/A ASN 209.A ND2 LEU 102.A O no hydrogen 2.983 N/A ASN 209.A ND2 GLN 105.A O no hydrogen 2.860 N/A ARG 210.A N SER 208.A OG no hydrogen 3.345 N/A GLY 215.A N PHE 213.A O no hydrogen 2.880 N/A GLY 215.A N GLN 221.A OE1 no hydrogen 2.998 N/A LYS 216.A N ASP 220.A OD2 no hydrogen 2.814 N/A TYR 218.A OH THR 170.A O no hydrogen 2.734 N/A GLN 221.A N HIS 217.A O no hydrogen 3.051 N/A GLN 221.A NE2 PHE 213.A O no hydrogen 2.827 N/A ASN 223.A N LEU 219.A O no hydrogen 3.248 N/A HIS 224.A N ASP 220.A O no hydrogen 3.015 N/A ILE 225.A N GLN 221.A O no hydrogen 3.166 N/A LEU 226.A N LEU 222.A O no hydrogen 2.925 N/A GLY 227.A N ASN 223.A O no hydrogen 2.817 N/A ILE 228.A N ILE 225.A O no hydrogen 3.166 N/A LEU 229.A N ILE 225.A O no hydrogen 2.881 N/A GLY 230.A N LEU 226.A O no hydrogen 2.844 N/A SER 231.A N LYS 255.A O no hydrogen 2.880 N/A SER 231.A OG LYS 255.A O no hydrogen 3.483 N/A ASP 236.A N SER 233.A OG no hydrogen 2.990 N/A LEU 237.A N SER 233.A O no hydrogen 2.931 N/A ASN 238.A N GLN 234.A O no hydrogen 2.820 N/A ASN 238.A ND2 GLN 234.A OE1 no hydrogen 3.084 N/A CYS 239.A N GLU 235.A O no hydrogen 3.160 N/A CYS 239.A SG GLU 235.A O no hydrogen 3.270 N/A ILE 240.A N LEU 237.A O no hydrogen 2.847 N/A ALA 245.A N ASN 242.A OD1 no hydrogen 3.216 N/A ARG 246.A N ASN 242.A O no hydrogen 2.933 N/A ARG 246.A NE.B ILE 240.A O no hydrogen 2.835 N/A ARG 246.A NH2.B ILE 240.A O no hydrogen 3.049 N/A ASN 247.A N LEU 243.A O no hydrogen 2.848 N/A TYR 248.A N LYS 244.A O no hydrogen 2.997 N/A LEU 249.A N ALA 245.A O no hydrogen 3.147 N/A LEU 250.A N ARG 246.A O no hydrogen 2.908 N/A SER 251.A N ASN 247.A O no hydrogen 2.992 N/A SER 251.A N TYR 248.A O no hydrogen 3.068 N/A SER 251.A OG TYR 248.A O no hydrogen 2.686 N/A LEU 252.A N LEU 249.A O no hydrogen 3.262 N/A LYS 255.A N SER 231.A OG no hydrogen 2.797 N/A LYS 255.A NZ ASN 223.A OD1 no hydrogen 3.069 N/A VAL 258.A N ILE 228.A O no hydrogen 2.803 N/A TRP 260.A NE1 ASP 276.A OD1 no hydrogen 2.830 N/A ARG 262.A N PRO 259.A O no hydrogen 3.094 N/A LEU 263.A N PRO 259.A O no hydrogen 3.290 N/A PHE 264.A N TRP 260.A O no hydrogen 2.842 N/A ALA 267.A N PHE 264.A O no hydrogen 3.116 N/A LYS 270.A N ASP 268.A OD2 no hydrogen 2.767 N/A ALA 271.A N ASP 268.A OD2 no hydrogen 3.428 N/A LEU 272.A N ASP 268.A O no hydrogen 3.156 N/A ASP 273.A N SER 269.A O no hydrogen 3.067 N/A LEU 274.A N LYS 270.A O no hydrogen 3.044 N/A LEU 275.A N ALA 271.A O no hydrogen 2.838 N/A ASP 276.A N LEU 272.A O no hydrogen 2.954 N/A LYS 277.A N ASP 273.A O no hydrogen 3.236 N/A LYS 277.A NZ ASP 273.A OD1 no hydrogen 3.183 N/A LYS 277.A NZ ASP 273.A OD2 no hydrogen 2.875 N/A MET 278.A N LEU 274.A O no hydrogen 2.966 N/A LEU 279.A N LEU 275.A O no hydrogen 2.849 N/A THR 280.A OG1 ASP 276.A O no hydrogen 3.048 N/A THR 280.A OG1 LYS 277.A O no hydrogen 3.142 N/A ASN 282.A ND2 ASP 236.A OD2 no hydrogen 3.014 N/A HIS 284.A N ASN 282.A OD1 no hydrogen 2.921 N/A LYS 285.A N ASN 282.A O no hydrogen 3.035 N/A LYS 285.A NZ GLU 235.A OE2 no hydrogen 2.870 N/A LYS 285.A NZ ASP 236.A OD2 no hydrogen 2.750 N/A ARG 286.A N PRO 283.A O no hydrogen 3.358 N/A ARG 286.A NE THR 280.A O no hydrogen 2.997 N/A ARG 286.A NH1 GLU 182.A OE2 no hydrogen 2.844 N/A ARG 286.A NH1 SER 193.A O no hydrogen 2.904 N/A ARG 286.A NH2 GLU 182.A OE1 no hydrogen 2.885 N/A ARG 286.A NH2 GLU 182.A OE2 no hydrogen 3.487 N/A ARG 286.A NH2 THR 280.A O no hydrogen 2.958 N/A ARG 286.A NH2 PHE 281.A O no hydrogen 3.166 N/A ILE 287.A N LYS 277.A O no hydrogen 3.228 N/A GLU 288.A N GLN 291.A OE1 no hydrogen 2.869 N/A ALA 292.A N GLU 288.A O no hydrogen 3.025 N/A LEU 293.A N VAL 289.A O no hydrogen 2.987 N/A ALA 294.A N GLU 290.A O no hydrogen 3.185 N/A HIS 295.A N ALA 292.A O no hydrogen 3.043 N/A HIS 295.A NE2 ASP 273.A OD2 no hydrogen 2.757 N/A TYR 297.A N HIS 295.A ND1 no hydrogen 2.880 N/A TYR 297.A OH ASN 109.A OD1 no hydrogen 2.813 N/A LEU 298.A N HIS 295.A O no hydrogen 2.871 N/A GLU 299.A N PRO 296.A O no hydrogen 3.144 N/A TYR 301.A N LEU 298.A O no hydrogen 2.950 N/A TYR 302.A N LEU 298.A O no hydrogen 2.926 N/A ASP 303.A N GLU 307.A OE1 no hydrogen 2.841 N/A SER 305.A N ASP 303.A OD1 no hydrogen 3.261 N/A SER 305.A OG ASP 303.A OD1 no hydrogen 2.857 N/A ASP 306.A N ASP 303.A O no hydrogen 2.829 N/A GLU 307.A N PRO 304.A O no hydrogen 3.276 N/A ALA 310.A N SER 128.A OG no hydrogen 2.817 N/A PHE 314.A N ALA 129.A O no hydrogen 2.828 N/A GLU 318.A N GLU 318.A OE1 no hydrogen 2.834 N/A LEU 320.A N PRO 316.A O no hydrogen 3.092 N/A LYS 321.A N LYS 317.A O no hydrogen 2.862 N/A LYS 321.A NZ ILE 81.A O no hydrogen 2.901 N/A LYS 321.A NZ MET 84.A O no hydrogen 3.030 N/A GLU 322.A N GLU 318.A O no hydrogen 2.983 N/A LEU 323.A N LYS 319.A O no hydrogen 2.848 N/A ILE 324.A N LEU 320.A O no hydrogen 3.012 N/A PHE 325.A N LYS 321.A O no hydrogen 2.930 N/A GLU 326.A N GLU 322.A O no hydrogen 2.913 N/A GLU 327.A N LEU 323.A O no hydrogen 2.806 N/A THR 328.A N ILE 324.A O no hydrogen 3.036 N/A THR 328.A OG1 ILE 324.A O no hydrogen 2.755 N/A THR 328.A OG1 PHE 325.A O no hydrogen 3.054 N/A ALA 329.A N GLU 326.A O no hydrogen 3.234 N/A PHE 331.A N THR 328.A O no hydrogen 3.353 N/A GLN 332.A N ALA 329.A O no hydrogen 3.151 N/A