Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3ai5_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLU 4.A N SER 1.A OG no hydrogen 3.145 N/A GLU 5.A N LYS 2.A O no hydrogen 3.290 N/A GLU 5.A N GLU 5.A OE2 no hydrogen 2.932 N/A LEU 6.A N GLY 3.A O no hydrogen 3.079 N/A PHE 7.A N GLU 4.A O no hydrogen 2.936 N/A THR 8.A N GLU 5.A O no hydrogen 3.476 N/A THR 8.A OG1 GLU 5.A O no hydrogen 3.267 N/A VAL 11.A N GLY 34.A O no hydrogen 2.881 N/A ILE 13.A N GLY 32.A O no hydrogen 2.870 N/A LEU 14.A N LEU 115.A O no hydrogen 2.978 N/A VAL 15.A N GLY 30.A O no hydrogen 2.919 N/A GLU 16.A N ASN 117.A O no hydrogen 2.962 N/A LEU 17.A N VAL 28.A O no hydrogen 2.871 N/A ASP 18.A N ILE 119.A O no hydrogen 3.017 N/A GLY 19.A N PHE 26.A O no hydrogen 2.815 N/A ASP 20.A N LEU 121.A O no hydrogen 2.910 N/A VAL 21.A N HIS 24.A O no hydrogen 2.965 N/A ASN 22.A N GLY 123.A O no hydrogen 2.885 N/A ASN 22.A ND2 PHE 126.A O no hydrogen 2.868 N/A GLY 23.A N ASP 20.A OD1 no hydrogen 2.964 N/A HIS 24.A N VAL 21.A O no hydrogen 2.863 N/A LYS 25.A NZ ASP 20.A OD2 no hydrogen 2.812 N/A PHE 26.A N GLY 19.A O no hydrogen 2.968 N/A SER 27.A N THR 49.A OG1 no hydrogen 3.135 N/A SER 27.A OG ASP 18.A OD1 no hydrogen 2.813 N/A VAL 28.A N LEU 17.A O no hydrogen 2.930 N/A SER 29.A N ILE 46.A O no hydrogen 3.058 N/A SER 29.A OG GLU 16.A OE1 no hydrogen 2.691 N/A GLY 30.A N VAL 15.A O no hydrogen 2.786 N/A GLU 31.A N LYS 44.A O no hydrogen 2.978 N/A GLY 32.A N ILE 13.A O no hydrogen 3.076 N/A GLU 33.A N THR 42.A O no hydrogen 2.943 N/A GLY 34.A N VAL 11.A O no hydrogen 2.910 N/A ASP 35.A N LYS 40.A O no hydrogen 2.754 N/A TYR 38.A N ASP 35.A O no hydrogen 3.025 N/A GLY 39.A N ALA 36.A O no hydrogen 2.930 N/A LYS 40.A N ASP 35.A O no hydrogen 3.057 N/A LEU 41.A N GLU 218.A O no hydrogen 2.952 N/A THR 42.A N GLU 33.A O no hydrogen 2.949 N/A THR 42.A OG1 GLU 33.A O no hydrogen 3.480 N/A LEU 43.A N LEU 216.A O no hydrogen 2.910 N/A LYS 44.A N GLU 31.A O no hydrogen 2.874 N/A LYS 44.A NZ ASP 206.A OD2 no hydrogen 2.793 N/A LYS 44.A NZ GLU 209.A OE1 no hydrogen 2.805 N/A PHE 45.A N MET 214.A O no hydrogen 2.826 N/A ILE 46.A N SER 29.A O no hydrogen 2.864 N/A CYS 47.A N ASP 212.A O no hydrogen 3.000 N/A CYS 47.A SG SER 27.A O no hydrogen 3.638 N/A CYS 47.A SG THR 49.A OG1 no hydrogen 3.430 N/A CYS 47.A SG GLY 50.A O no hydrogen 3.223 N/A THR 48.A N SER 27.A O no hydrogen 2.969 N/A THR 48.A OG1 SER 27.A O no hydrogen 3.407 N/A LEU 52.A N ASP 212.A OD2 no hydrogen 2.838 N/A TRP 56.A NE1 ASP 212.A OD1 no hydrogen 2.917 N/A THR 58.A N PRO 55.A O no hydrogen 2.948 N/A THR 58.A OG1 PRO 55.A O no hydrogen 2.783 N/A THR 58.A OG1 TYR 102.A OH no hydrogen 2.829 N/A LEU 59.A N TRP 56.A O no hydrogen 2.986 N/A VAL 60.A N PRO 57.A O no hydrogen 3.351 N/A THR 61.A OG1 HIS 177.A NE2 no hydrogen 2.721 N/A PHE 63.A N LEU 59.A O no hydrogen 2.985 N/A PHE 67.A N VAL 64.A O no hydrogen 2.964 N/A ALA 68.A N GLN 65.A O no hydrogen 3.121 N/A ARG 69.A N VAL 220.A O no hydrogen 2.883 N/A TYR 70.A OH HIS 195.A NE2 no hydrogen 2.733 N/A HIS 73.A NE2 ILE 225.A O no hydrogen 2.877 N/A MET 74.A N PRO 71.A O no hydrogen 2.794 N/A LYS 75.A N ASP 72.A O no hydrogen 3.311 N/A LYS 75.A NZ GLU 4.A OE1 no hydrogen 2.722 N/A LYS 75.A NZ TYR 70.A O no hydrogen 2.953 N/A GLN 76.A N GLN 76.A OE1 no hydrogen 2.775 N/A GLN 76.A NE2 HIS 73.A O no hydrogen 3.543 N/A HIS 77.A N MET 74.A O no hydrogen 2.857 N/A ASP 78.A N LYS 75.A O no hydrogen 3.390 N/A PHE 79.A N HIS 77.A O no hydrogen 3.230 N/A LYS 81.A N ASP 78.A OD1 no hydrogen 3.132 N/A LYS 81.A NZ CYS 66.A O no hydrogen 2.851 N/A LYS 81.A NZ ALA 68.A O no hydrogen 2.797 N/A LYS 81.A NZ ASP 78.A OD2 no hydrogen 2.800 N/A SER 82.A OG PHE 79.A O no hydrogen 2.722 N/A ALA 83.A N PHE 79.A O no hydrogen 3.209 N/A MET 84.A N LYS 81.A O no hydrogen 3.046 N/A GLY 87.A N ALA 83.A O no hydrogen 2.810 N/A TYR 88.A N VAL 108.A O no hydrogen 2.916 N/A VAL 89.A N THR 182.A O no hydrogen 2.846 N/A GLN 90.A N ALA 106.A O no hydrogen 2.836 N/A GLU 91.A N GLN 180.A O no hydrogen 2.865 N/A ARG 92.A N THR 104.A O no hydrogen 2.966 N/A ARG 92.A NE GLN 179.A OE1 no hydrogen 2.821 N/A ARG 92.A NH1 THR 61.A O no hydrogen 2.814 N/A ARG 92.A NH2 GLN 179.A OE1 no hydrogen 2.833 N/A THR 93.A N TYR 178.A O no hydrogen 2.943 N/A ILE 94.A N TYR 102.A O no hydrogen 2.811 N/A PHE 95.A N ASP 176.A O no hydrogen 2.937 N/A PHE 96.A N GLY 100.A O no hydrogen 2.980 N/A LYS 97.A N LEU 174.A O no hydrogen 2.964 N/A ASP 99.A N PHE 96.A O no hydrogen 2.887 N/A GLY 100.A N ASP 99.A OD1 no hydrogen 2.810 N/A ASN 101.A N ILE 124.A O no hydrogen 3.059 N/A TYR 102.A N ILE 94.A O no hydrogen 2.874 N/A TYR 102.A OH THR 58.A OG1 no hydrogen 2.829 N/A LYS 103.A N LYS 122.A O no hydrogen 2.819 N/A LYS 103.A NZ THR 93.A OG1 no hydrogen 2.823 N/A THR 104.A N ARG 92.A O no hydrogen 2.919 N/A ARG 105.A N GLU 120.A O no hydrogen 2.961 N/A ARG 105.A NH1 GLU 107.A OE2 no hydrogen 3.046 N/A ARG 105.A NH2 GLU 107.A OE2 no hydrogen 3.186 N/A ALA 106.A N GLN 90.A O no hydrogen 2.825 N/A GLU 107.A N ARG 118.A O no hydrogen 2.916 N/A VAL 108.A N TYR 88.A O no hydrogen 2.950 N/A LYS 109.A N VAL 116.A O no hydrogen 3.036 N/A PHE 110.A N PRO 85.A O no hydrogen 3.075 N/A GLU 111.A N THR 114.A O no hydrogen 2.822 N/A THR 114.A N GLU 111.A O no hydrogen 3.145 N/A THR 114.A OG1 ASP 113.A OD1 no hydrogen 2.809 N/A LEU 115.A N PRO 12.A O no hydrogen 2.902 N/A VAL 116.A N LYS 109.A O no hydrogen 2.821 N/A ASN 117.A N LEU 14.A O no hydrogen 2.904 N/A ASN 117.A ND2 THR 62.A O no hydrogen 3.339 N/A ASN 117.A ND2 PHE 63.A O no hydrogen 2.930 N/A ARG 118.A N GLU 107.A O no hydrogen 2.999 N/A ARG 118.A NE GLU 111.A OE2 no hydrogen 3.189 N/A ARG 118.A NH2 GLU 111.A OE1 no hydrogen 2.880 N/A ARG 118.A NH2 GLU 111.A OE2 no hydrogen 3.566 N/A ILE 119.A N GLU 16.A O no hydrogen 2.802 N/A GLU 120.A N ARG 105.A O no hydrogen 2.866 N/A LEU 121.A N ASP 18.A O no hydrogen 2.939 N/A LYS 122.A N LYS 103.A O no hydrogen 2.899 N/A GLY 123.A N ASP 20.A O no hydrogen 2.732 N/A ILE 124.A N ASN 101.A O no hydrogen 3.045 N/A PHE 126.A N ASN 22.A OD1 no hydrogen 3.067 N/A LYS 127.A N ASP 99.A OD1 no hydrogen 2.850 N/A LYS 127.A NZ ASP 98.A O no hydrogen 2.821 N/A LYS 127.A NZ ASP 98.A OD1 no hydrogen 2.973 N/A GLY 130.A N LYS 127.A O no hydrogen 3.101 N/A ASN 131.A ND2 GLN 173.A OE1 no hydrogen 2.885 N/A GLY 134.A N GLY 130.A O no hydrogen 2.895 N/A HIS 135.A N ILE 132.A O no hydrogen 3.027 N/A LYS 136.A N ASN 131.A O no hydrogen 2.983 N/A LYS 136.A NZ ASP 129.A O no hydrogen 2.834 N/A GLU 138.A N ASN 166.A O no hydrogen 2.926 N/A TYR 139.A OH SER 204.A O no hydrogen 2.754 N/A ASN 140.A N GLU 138.A O no hydrogen 3.011 N/A ASN 142.A ND2 ARG 164.A O no hydrogen 2.885 N/A ASN 142.A ND2 ASN 166.A OD1 no hydrogen 2.957 N/A HIS 144.A N THR 199.A O no hydrogen 3.050 N/A ASN 145.A ND2 TYR 147.A OH no hydrogen 3.247 N/A VAL 146.A N LEU 197.A O no hydrogen 2.863 N/A TYR 147.A N ASN 160.A O no hydrogen 2.974 N/A ILE 148.A N HIS 195.A O no hydrogen 2.858 N/A MET 149.A N LYS 158.A O no hydrogen 2.897 N/A ASP 151.A N GLY 156.A O no hydrogen 2.756 N/A GLN 153.A N ASP 151.A OD1 no hydrogen 3.094 N/A LYS 154.A N ASP 151.A O no hydrogen 3.242 N/A LYS 154.A N ASP 151.A OD1 no hydrogen 3.136 N/A GLY 156.A N ASP 151.A O no hydrogen 3.177 N/A ILE 157.A N ASN 181.A O no hydrogen 3.046 N/A LYS 158.A N MET 149.A O no hydrogen 2.843 N/A VAL 159.A N GLN 179.A O no hydrogen 2.831 N/A ASN 160.A N TYR 147.A O no hydrogen 2.967 N/A PHE 161.A N HIS 177.A O no hydrogen 3.142 N/A LYS 162.A NZ ASP 176.A OD1 no hydrogen 2.878 N/A ILE 163.A N ALA 175.A O no hydrogen 2.938 N/A ARG 164.A N HIS 144.A NE2 no hydrogen 2.986 N/A HIS 165.A N GLN 173.A O no hydrogen 2.887 N/A ILE 167.A N SER 171.A O no hydrogen 2.983 N/A GLY 170.A N ILE 167.A O no hydrogen 2.931 N/A SER 171.A N ASP 169.A OD1 no hydrogen 2.736 N/A SER 171.A OG ASP 169.A OD1 no hydrogen 2.638 N/A SER 171.A OG ASP 169.A OD2 no hydrogen 3.556 N/A GLN 173.A N HIS 165.A O no hydrogen 2.857 N/A GLN 173.A NE2 LYS 97.A O no hydrogen 2.932 N/A GLN 173.A NE2 LEU 174.A O no hydrogen 3.064 N/A ALA 175.A N ILE 163.A O no hydrogen 2.833 N/A ASP 176.A N PHE 95.A O no hydrogen 2.874 N/A HIS 177.A N PHE 161.A O no hydrogen 2.829 N/A HIS 177.A ND1 ALA 175.A O no hydrogen 2.948 N/A HIS 177.A NE2 THR 61.A OG1 no hydrogen 2.721 N/A TYR 178.A N THR 93.A O no hydrogen 2.919 N/A GLN 179.A N VAL 159.A O no hydrogen 2.876 N/A GLN 179.A NE2 GLN 65.A OE1 no hydrogen 2.913 N/A GLN 179.A NE2 ASN 181.A OD1 no hydrogen 2.934 N/A GLN 180.A N GLU 91.A O no hydrogen 2.936 N/A GLN 180.A NE2 GLU 91.A OE1 no hydrogen 3.016 N/A ASN 181.A N ILE 157.A O no hydrogen 2.973 N/A ASN 181.A ND2 GLN 90.A OE1 no hydrogen 2.856 N/A THR 182.A N VAL 89.A O no hydrogen 3.003 N/A ILE 184.A N GLY 87.A O no hydrogen 2.871 N/A LEU 190.A N SER 82.A OG no hydrogen 2.889 N/A ASP 193.A N HIS 77.A ND1 no hydrogen 3.016 N/A HIS 195.A N ILE 148.A O no hydrogen 3.151 N/A HIS 195.A ND1 ASP 193.A O no hydrogen 2.849 N/A HIS 195.A NE2 TYR 70.A OH no hydrogen 2.733 N/A TYR 196.A N ALA 223.A O no hydrogen 2.991 N/A LEU 197.A N VAL 146.A O no hydrogen 2.836 N/A SER 198.A N THR 221.A O no hydrogen 2.794 N/A THR 199.A N HIS 144.A O no hydrogen 2.907 N/A THR 199.A OG1 LEU 197.A O no hydrogen 3.239 N/A GLN 200.A N PHE 219.A O no hydrogen 2.790 N/A ALA 202.A N LEU 217.A O no hydrogen 2.885 N/A SER 204.A N VAL 215.A O no hydrogen 2.858 N/A LYS 205.A NZ HIS 213.A O no hydrogen 2.751 N/A ASP 206.A N HIS 213.A NE2 no hydrogen 2.778 N/A ASN 208.A N ASP 206.A OD1 no hydrogen 2.936 N/A GLU 209.A N ASP 206.A O no hydrogen 3.059 N/A ARG 211.A N GLU 209.A OE2 no hydrogen 2.942 N/A ARG 211.A NE GLU 209.A OE2 no hydrogen 2.518 N/A ARG 211.A NH2 GLU 209.A OE1 no hydrogen 2.764 N/A ARG 211.A NH2 GLU 209.A OE2 no hydrogen 3.255 N/A HIS 213.A ND1 ARG 211.A O no hydrogen 2.949 N/A MET 214.A N PHE 45.A O no hydrogen 3.080 N/A VAL 215.A N SER 204.A O no hydrogen 2.936 N/A LEU 216.A N LEU 43.A O no hydrogen 2.798 N/A LEU 217.A N ALA 202.A O no hydrogen 2.998 N/A GLU 218.A N LEU 41.A O no hydrogen 2.959 N/A PHE 219.A N GLN 200.A O no hydrogen 2.935 N/A VAL 220.A N GLY 39.A O no hydrogen 2.838 N/A THR 221.A N SER 198.A O no hydrogen 3.015 N/A ALA 222.A N ARG 69.A O no hydrogen 2.889 N/A ALA 223.A N TYR 196.A O no hydrogen 2.911 N/A THR 226.A OG1 SER 228.A OG no hydrogen 2.901 N/A SER 228.A N THR 226.A OG1 no hydrogen 3.102 N/A SER 228.A OG THR 226.A OG1 no hydrogen 2.901 N/A SER 228.A OG GLU 244.A OE2 no hydrogen 3.067 N/A MET 229.A N VAL 245.A O no hydrogen 2.865 N/A GLN 230.A NE2 GLU 244.A OE1 no hydrogen 2.809 N/A ILE 231.A N LEU 243.A O no hydrogen 2.960 N/A PHE 232.A N SER 293.A O no hydrogen 2.907 N/A VAL 233.A N ILE 241.A O no hydrogen 2.894 N/A LYS 234.A N LEU 295.A O no hydrogen 2.795 N/A THR 235.A N LYS 239.A O no hydrogen 2.811 N/A THR 235.A OG1 THR 237.A OG1 no hydrogen 3.338 N/A THR 235.A OG1 LYS 239.A O no hydrogen 3.540 N/A THR 237.A OG1 THR 235.A OG1 no hydrogen 3.338 N/A GLY 238.A N THR 235.A O no hydrogen 2.914 N/A LYS 239.A N THR 235.A OG1 no hydrogen 3.189 N/A ILE 241.A N VAL 233.A O no hydrogen 2.875 N/A LEU 243.A N ILE 231.A O no hydrogen 2.894 N/A VAL 245.A N MET 229.A O no hydrogen 2.901 N/A GLU 246.A N ASP 249.A OD2 no hydrogen 2.932 N/A ASP 249.A N GLU 246.A O no hydrogen 2.907 N/A ILE 251.A N ARG 282.A O no hydrogen 2.854 N/A GLU 252.A N ASP 280.A O no hydrogen 3.148 N/A ASN 253.A N THR 250.A OG1 no hydrogen 3.017 N/A VAL 254.A N THR 250.A O no hydrogen 2.929 N/A LYS 255.A N ILE 251.A O no hydrogen 2.941 N/A LYS 255.A NZ GLN 269.A O no hydrogen 3.108 N/A LYS 255.A NZ ASP 280.A OD1 no hydrogen 2.750 N/A ALA 256.A N GLU 252.A O no hydrogen 3.002 N/A LYS 257.A N ASN 253.A O no hydrogen 3.010 N/A LYS 257.A NZ GLU 244.A O no hydrogen 2.833 N/A ILE 258.A N VAL 254.A O no hydrogen 2.943 N/A GLN 259.A N LYS 255.A O no hydrogen 2.996 N/A ASP 260.A N ALA 256.A O no hydrogen 3.295 N/A LYS 261.A N ILE 258.A O no hydrogen 3.085 N/A LYS 261.A NZ THR 242.A O no hydrogen 2.650 N/A GLU 262.A N ILE 258.A O no hydrogen 2.722 N/A GLY 263.A N GLN 259.A O no hydrogen 2.779 N/A GLN 268.A N PRO 265.A O no hydrogen 2.902 N/A GLN 269.A N PRO 266.A O no hydrogen 2.992 N/A GLN 269.A NE2 LYS 255.A O no hydrogen 2.935 N/A GLN 269.A NE2 ILE 264.A O no hydrogen 2.913 N/A ARG 270.A N VAL 298.A O no hydrogen 2.849 N/A ILE 272.A N HIS 296.A O no hydrogen 2.876 N/A PHE 273.A N LYS 276.A O no hydrogen 2.865 N/A LYS 276.A N PHE 273.A O no hydrogen 2.861 N/A GLN 277.A NE2 GLU 279.A OE2 no hydrogen 2.994 N/A LEU 278.A N LEU 271.A O no hydrogen 2.857 N/A GLU 279.A N TYR 287.A OH no hydrogen 2.913 N/A ARG 282.A N GLU 279.A O no hydrogen 3.051 N/A THR 283.A N ASP 286.A OD1 no hydrogen 2.929 N/A THR 283.A OG1 SER 285.A OG no hydrogen 2.896 N/A LEU 284.A N ASP 249.A O no hydrogen 2.988 N/A SER 285.A N PRO 247.A O no hydrogen 3.035 N/A SER 285.A OG PRO 247.A O no hydrogen 3.123 N/A SER 285.A OG THR 283.A OG1 no hydrogen 2.896 N/A ASP 286.A N THR 283.A OG1 no hydrogen 3.073 N/A TYR 287.A N LEU 284.A O no hydrogen 3.085 N/A ASN 288.A N SER 285.A O no hydrogen 2.791 N/A ILE 289.A N LEU 284.A O no hydrogen 3.109 N/A GLU 292.A N GLN 230.A O no hydrogen 2.780 N/A SER 293.A N GLN 290.A O no hydrogen 3.173 N/A SER 293.A OG GLN 290.A O no hydrogen 2.670 N/A LEU 295.A N PHE 232.A O no hydrogen 2.816 N/A HIS 296.A N ILE 272.A O no hydrogen 2.783 N/A LEU 297.A N LYS 234.A O no hydrogen 2.856 N/A VAL 298.A N ARG 270.A O no hydrogen 2.822 N/A