Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2aqd_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 5.A N THR 272.A O no hydrogen 2.896 N/A SER 6.A N GLY 126.A O no hydrogen 2.856 N/A GLU 8.A N GLU 8.A OE1 no hydrogen 2.774 N/A ARG 11.A N GLU 8.A O no hydrogen 2.974 N/A ARG 11.A NH1 ASP 15.A OD1 no hydrogen 2.945 N/A SER 12.A N ASP 15.A OD2 no hydrogen 2.918 N/A TYR 13.A OH ILE 282.A O no hydrogen 2.802 N/A PHE 16.A N SER 12.A O no hydrogen 3.381 N/A GLN 17.A N TYR 13.A O no hydrogen 2.841 N/A LYS 18.A N GLU 14.A O no hydrogen 3.065 N/A VAL 19.A N ASP 15.A O no hydrogen 3.247 N/A TYR 20.A N PHE 16.A O no hydrogen 2.894 N/A TYR 20.A OH GLU 115.A OE2 no hydrogen 2.705 N/A ASN 21.A N GLN 17.A O no hydrogen 2.837 N/A ASN 21.A ND2 GLN 17.A OE1 no hydrogen 2.943 N/A ASN 21.A ND2 GLN 289.A OE1 no hydrogen 2.885 N/A ALA 22.A N LYS 18.A O no hydrogen 3.016 N/A ILE 23.A N VAL 19.A O no hydrogen 3.007 N/A ALA 24.A N TYR 20.A O no hydrogen 2.825 N/A LEU 25.A N ASN 21.A O no hydrogen 2.796 N/A LYS 26.A N ALA 22.A O no hydrogen 3.067 N/A LYS 26.A NZ ASP 30.A OD2 no hydrogen 2.564 N/A LEU 27.A N ILE 23.A O no hydrogen 2.874 N/A ARG 28.A N ALA 24.A O no hydrogen 3.110 N/A ARG 28.A NH1 LEU 291.A O no hydrogen 2.762 N/A ARG 28.A NH2 LEU 291.A O no hydrogen 3.507 N/A ARG 28.A NH2 LEU 291.A OXT no hydrogen 2.803 N/A GLU 29.A N LEU 25.A O no hydrogen 2.930 N/A ASP 30.A N LYS 26.A O no hydrogen 2.846 N/A TYR 36.A N GLU 32.A O no hydrogen 2.920 N/A ILE 37.A N ASP 34.A O no hydrogen 3.113 N/A GLY 38.A N TYR 33.A O no hydrogen 2.913 N/A LEU 43.A N TYR 39.A O no hydrogen 3.096 N/A VAL 44.A N GLY 40.A O no hydrogen 3.073 N/A ARG 45.A N PRO 41.A O no hydrogen 2.953 N/A ARG 45.A NH1 SER 78.A O no hydrogen 3.535 N/A LEU 46.A N VAL 42.A O no hydrogen 2.861 N/A ALA 47.A N LEU 43.A O no hydrogen 3.029 N/A TRP 48.A N VAL 44.A O no hydrogen 3.053 N/A HIS 49.A N ARG 45.A O no hydrogen 2.822 N/A HIS 49.A ND1 ASN 79.A OD1 no hydrogen 2.700 N/A ILE 50.A N LEU 46.A O no hydrogen 2.981 N/A SER 51.A N TRP 48.A O no hydrogen 3.105 N/A SER 51.A OG ALA 47.A O no hydrogen 2.884 N/A GLY 52.A N TRP 48.A O no hydrogen 2.730 N/A TRP 54.A N SER 51.A O no hydrogen 3.211 N/A TRP 54.A NE1 ASN 59.A OD1 no hydrogen 2.678 N/A ASP 55.A N THR 60.A O no hydrogen 3.006 N/A LYS 56.A N ARG 157.A O no hydrogen 3.114 N/A LYS 56.A NZ GLN 156.A O no hydrogen 2.903 N/A HIS 57.A N ASP 55.A OD1 no hydrogen 2.948 N/A HIS 57.A ND1 ASP 55.A OD1 no hydrogen 2.820 N/A ASP 58.A N ASP 55.A O no hydrogen 3.349 N/A ASN 59.A N ASP 55.A O no hydrogen 2.854 N/A ASN 59.A ND2 LEU 1.A O no hydrogen 2.776 N/A ASN 59.A ND2 GLY 270.A O no hydrogen 3.195 N/A THR 60.A N ASP 58.A OD1 no hydrogen 3.030 N/A THR 60.A OG1 ASP 58.A OD1 no hydrogen 2.652 N/A THR 60.A OG1 ASP 58.A OD2 no hydrogen 3.522 N/A GLY 62.A N THR 53.A OG1 no hydrogen 2.931 N/A SER 63.A OG LEU 267.A O no hydrogen 2.782 N/A TYR 64.A OH VAL 4.A O no hydrogen 2.727 N/A GLY 66.A N SER 63.A O no hydrogen 3.325 N/A THR 67.A OG1 GLU 73.A OE1 no hydrogen 2.674 N/A ARG 69.A N GLY 66.A O no hydrogen 3.360 N/A ARG 69.A NH1 GLY 65.A O no hydrogen 2.893 N/A ARG 69.A NH1 GLY 66.A O no hydrogen 2.879 N/A ARG 69.A NH2 THR 130.A O no hydrogen 2.868 N/A PHE 70.A N THR 67.A O no hydrogen 2.961 N/A LYS 72.A NZ THR 135.A O no hydrogen 2.920 N/A LYS 72.A NZ ASP 137.A OD1 no hydrogen 2.890 N/A GLU 73.A N PHE 70.A O no hydrogen 3.108 N/A PHE 74.A N PHE 70.A O no hydrogen 3.002 N/A ASN 75.A N LYS 71.A O no hydrogen 2.894 N/A ASP 76.A N GLU 73.A O no hydrogen 3.061 N/A SER 78.A N ASP 76.A OD1 no hydrogen 2.908 N/A SER 78.A OG ASP 76.A OD1 no hydrogen 3.437 N/A ASN 79.A N ASP 76.A O no hydrogen 2.767 N/A ASN 79.A ND2 GLU 73.A O no hydrogen 2.945 N/A ALA 80.A N PRO 77.A O no hydrogen 3.207 N/A GLY 81.A N GLN 83.A OE1 no hydrogen 2.840 N/A LEU 82.A N ASN 79.A O no hydrogen 2.960 N/A GLN 83.A N GLN 83.A OE1 no hydrogen 2.794 N/A ASN 84.A N GLY 81.A O no hydrogen 3.092 N/A ASN 84.A ND2 GLY 81.A O no hydrogen 3.001 N/A PHE 86.A N LEU 82.A O no hydrogen 3.066 N/A LYS 87.A N GLN 83.A O no hydrogen 2.913 N/A PHE 88.A N ASN 84.A O no hydrogen 3.065 N/A LEU 89.A N GLY 85.A O no hydrogen 3.054 N/A GLU 90.A N LYS 87.A O no hydrogen 3.242 N/A HIS 93.A N LEU 89.A O no hydrogen 2.923 N/A HIS 93.A NE2 ILE 99.A O no hydrogen 2.809 N/A LYS 94.A N GLU 90.A O no hydrogen 2.986 N/A GLU 95.A N PRO 91.A O no hydrogen 3.080 N/A PHE 96.A N ILE 92.A O no hydrogen 2.934 N/A ILE 99.A N PHE 96.A O no hydrogen 3.265 N/A SER 100.A N GLU 8.A OE2 no hydrogen 3.161 N/A SER 100.A OG GLU 8.A OE2 no hydrogen 3.435 N/A SER 100.A OG ARG 127.A O no hydrogen 2.737 N/A SER 101.A N ASP 129.A OD1 no hydrogen 2.877 N/A ASP 103.A N SER 100.A OG no hydrogen 3.173 N/A LEU 104.A N SER 100.A O no hydrogen 2.906 N/A PHE 105.A N SER 101.A O no hydrogen 2.896 N/A SER 106.A N GLY 102.A O no hydrogen 3.025 N/A SER 106.A OG GLY 102.A O no hydrogen 2.866 N/A SER 106.A OG ASP 103.A O no hydrogen 3.241 N/A LEU 107.A N ASP 103.A O no hydrogen 2.872 N/A GLY 108.A N LEU 104.A O no hydrogen 2.888 N/A GLY 109.A N PHE 105.A O no hydrogen 3.407 N/A VAL 110.A N SER 106.A O no hydrogen 3.141 N/A THR 111.A N LEU 107.A O no hydrogen 2.824 N/A THR 111.A OG1 LEU 107.A O no hydrogen 2.817 N/A ALA 112.A N GLY 108.A O no hydrogen 2.974 N/A VAL 113.A N GLY 109.A O no hydrogen 3.005 N/A GLN 114.A N VAL 110.A O no hydrogen 3.030 N/A GLN 114.A NE2 TYR 20.A OH no hydrogen 3.166 N/A GLN 114.A NE2 PHE 283.A O no hydrogen 3.000 N/A GLU 115.A N THR 111.A O no hydrogen 2.842 N/A MET 116.A N ALA 112.A O no hydrogen 2.975 N/A GLN 117.A N GLN 114.A O no hydrogen 2.977 N/A GLY 118.A N VAL 113.A O no hydrogen 2.868 N/A LYS 120.A NZ PHE 283.A O no hydrogen 2.711 N/A LYS 120.A NZ GLU 288.A OE1 no hydrogen 2.695 N/A LYS 120.A NZ GLU 288.A OE2 no hydrogen 3.556 N/A ILE 121.A N GLN 114.A OE1 no hydrogen 2.942 N/A TRP 123.A N PHE 281.A O no hydrogen 2.905 N/A TRP 123.A NE1 SER 106.A OG no hydrogen 2.984 N/A ARG 124.A NH2 PRO 278.A O no hydrogen 3.116 N/A GLY 126.A N ASP 103.A OD2 no hydrogen 2.876 N/A ARG 127.A N ASP 103.A OD1 no hydrogen 3.000 N/A ARG 127.A NE SER 63.A OG no hydrogen 2.954 N/A ARG 127.A NH1 ASP 103.A OD1 no hydrogen 2.903 N/A ARG 127.A NH1 ARG 124.A O no hydrogen 2.754 N/A ARG 127.A NH2 LEU 267.A O no hydrogen 2.917 N/A THR 130.A N GLY 65.A O no hydrogen 3.032 N/A THR 130.A OG1 THR 134.A OG1 no hydrogen 2.719 N/A THR 134.A N PRO 131.A O no hydrogen 2.893 N/A THR 134.A OG1 THR 130.A OG1 no hydrogen 2.719 N/A THR 134.A OG1 PRO 131.A O no hydrogen 2.617 N/A THR 135.A N GLU 132.A O no hydrogen 3.084 N/A THR 135.A OG1 GLU 132.A O no hydrogen 2.839 N/A ASN 138.A ND2 LYS 72.A O no hydrogen 2.959 N/A ARG 140.A NH1 THR 53.A O no hydrogen 2.846 N/A ARG 140.A NH1 THR 60.A OG1 no hydrogen 2.844 N/A ARG 140.A NH2 THR 60.A OG1 no hydrogen 2.868 N/A ASP 143.A N TYR 150.A OH no hydrogen 2.931 N/A LYS 146.A NZ ASP 143.A OD2 no hydrogen 2.906 N/A LYS 146.A NZ ASP 145.A OD1 no hydrogen 2.861 N/A TYR 150.A N ASP 147.A OD1 no hydrogen 3.102 N/A VAL 151.A N ASP 147.A O no hydrogen 3.113 N/A ARG 152.A N ALA 148.A O no hydrogen 2.882 N/A ARG 152.A NE ASP 162.A OD1 no hydrogen 2.842 N/A ARG 152.A NH1 ASP 238.A OD2 no hydrogen 2.939 N/A ARG 152.A NH2 ASP 162.A OD1 no hydrogen 3.496 N/A ARG 152.A NH2 ASP 162.A OD2 no hydrogen 3.092 N/A ARG 152.A NH2 ASP 238.A OD1 no hydrogen 2.959 N/A ARG 152.A NH2 ASP 238.A OD2 no hydrogen 3.564 N/A THR 153.A N GLY 149.A O no hydrogen 3.047 N/A THR 153.A OG1 GLY 149.A O no hydrogen 3.193 N/A PHE 154.A N TYR 150.A O no hydrogen 2.832 N/A PHE 155.A N VAL 151.A O no hydrogen 3.089 N/A GLN 156.A N ARG 152.A O no hydrogen 3.250 N/A GLN 156.A N THR 153.A O no hydrogen 3.190 N/A ARG 157.A N PHE 154.A O no hydrogen 3.131 N/A ARG 157.A NE TRP 54.A O no hydrogen 2.886 N/A ARG 157.A NH1 ARG 140.A O no hydrogen 2.912 N/A ARG 157.A NH2 TRP 54.A O no hydrogen 2.929 N/A ARG 157.A NH2 ARG 140.A O no hydrogen 3.127 N/A LEU 158.A N PHE 155.A O no hydrogen 3.005 N/A ASN 159.A N GLN 156.A O no hydrogen 2.985 N/A MET 160.A N PHE 155.A O no hydrogen 3.033 N/A ASN 161.A N GLU 164.A OE1 no hydrogen 2.799 N/A ARG 163.A NH1 GLU 247.A OE1 no hydrogen 2.828 N/A ARG 163.A NH2 GLU 247.A OE1 no hydrogen 3.441 N/A ARG 163.A NH2 GLU 247.A OE2 no hydrogen 2.891 N/A ARG 163.A NH2 ASP 258.A OD2 no hydrogen 2.946 N/A GLU 164.A N ASN 161.A OD1 no hydrogen 2.866 N/A VAL 165.A N ASN 161.A O no hydrogen 2.892 N/A VAL 166.A N ASP 162.A O no hydrogen 2.966 N/A ALA 167.A N ARG 163.A O no hydrogen 2.932 N/A LEU 168.A N GLU 164.A O no hydrogen 2.873 N/A MET 169.A N VAL 165.A O no hydrogen 2.989 N/A GLY 170.A N ALA 167.A O no hydrogen 3.053 N/A ALA 171.A N LEU 168.A O no hydrogen 3.078 N/A HIS 172.A N MET 169.A O no hydrogen 2.890 N/A HIS 172.A ND1 ASP 232.A OD1 no hydrogen 2.758 N/A ALA 173.A N GLY 170.A O no hydrogen 3.119 N/A LEU 174.A N ALA 171.A O no hydrogen 2.910 N/A GLY 175.A N ASN 192.A O no hydrogen 2.780 N/A LYS 176.A NZ THR 177.A O no hydrogen 3.050 N/A LYS 176.A NZ GLU 185.A OE2 no hydrogen 2.684 N/A THR 177.A N GLY 186.A O no hydrogen 2.886 N/A THR 177.A OG1 GLY 186.A O no hydrogen 3.090 N/A HIS 178.A NE2 ASP 34.A OD2 no hydrogen 2.627 N/A LEU 179.A N GLU 185.A OE1 no hydrogen 2.889 N/A ASN 181.A N HIS 178.A O no hydrogen 2.944 N/A SER 182.A N HIS 178.A O no hydrogen 3.122 N/A SER 182.A OG HIS 178.A O no hydrogen 3.491 N/A GLY 183.A N LEU 179.A O no hydrogen 2.884 N/A GLU 185.A N GLN 219.A OE1 no hydrogen 3.107 N/A GLY 186.A N THR 177.A O no hydrogen 3.012 N/A ALA 190.A N GLU 198.A OE1 no hydrogen 2.782 N/A ALA 191.A N GLU 198.A OE2 no hydrogen 3.113 N/A ASN 192.A ND2 GLY 175.A O no hydrogen 2.855 N/A ASN 193.A ND2 ILE 37.A O no hydrogen 2.951 N/A VAL 194.A N ALA 191.A O no hydrogen 3.478 N/A PHE 195.A N MET 116.A O no hydrogen 2.799 N/A ASN 197.A ND2 TYR 248.A O no hydrogen 2.919 N/A GLU 198.A N THR 196.A OG1 no hydrogen 3.038 N/A TYR 200.A N ASN 197.A O no hydrogen 3.150 N/A TYR 200.A OH VAL 166.A O no hydrogen 2.623 N/A LEU 201.A N ASN 197.A O no hydrogen 3.474 N/A ASN 202.A N GLU 198.A O no hydrogen 2.819 N/A ASN 202.A ND2 GLY 188.A O no hydrogen 2.935 N/A ASN 202.A ND2 GLU 198.A OE1 no hydrogen 3.081 N/A LEU 203.A N PHE 199.A O no hydrogen 2.985 N/A LEU 204.A N TYR 200.A O no hydrogen 3.075 N/A ASN 205.A N LEU 201.A O no hydrogen 2.837 N/A ASN 205.A N ASN 202.A O no hydrogen 3.309 N/A GLU 206.A N ASN 202.A O no hydrogen 3.025 N/A TRP 208.A NE1 ASN 202.A O no hydrogen 3.090 N/A TRP 208.A NE1 LEU 203.A O no hydrogen 3.193 N/A LYS 209.A N ASP 221.A O no hydrogen 2.843 N/A GLU 211.A N GLN 219.A O no hydrogen 2.903 N/A LYS 212.A NZ ASN 216.A OD1 no hydrogen 2.849 N/A ASN 213.A N ASN 217.A O no hydrogen 2.893 N/A ASN 213.A ND2 GLY 183.A O no hydrogen 2.948 N/A ASN 213.A ND2 GLN 219.A OE1 no hydrogen 2.846 N/A ALA 215.A N ASN 213.A OD1 no hydrogen 2.790 N/A ASN 216.A N ASN 213.A O no hydrogen 2.953 N/A ASN 217.A N ASN 213.A OD1 no hydrogen 3.191 N/A ASN 217.A ND2 GLY 183.A O no hydrogen 2.902 N/A GLN 219.A N GLU 211.A O no hydrogen 2.910 N/A GLN 219.A NE2 GLU 185.A O no hydrogen 2.924 N/A GLN 219.A NE2 ASP 221.A OD1 no hydrogen 2.945 N/A TRP 220.A N MET 228.A O no hydrogen 2.998 N/A ASP 221.A N LYS 209.A O no hydrogen 2.859 N/A SER 222.A N TYR 226.A O no hydrogen 2.928 N/A SER 222.A OG GLU 206.A OE1 no hydrogen 2.979 N/A SER 224.A OG GLU 206.A OE1 no hydrogen 2.997 N/A GLY 225.A N SER 222.A O no hydrogen 2.909 N/A TYR 226.A N SER 222.A OG no hydrogen 3.371 N/A MET 227.A N PRO 187.A O no hydrogen 2.796 N/A MET 228.A N TRP 220.A O no hydrogen 2.755 N/A LEU 229.A N ASP 232.A OD2 no hydrogen 3.049 N/A THR 231.A N ALA 144.A O no hydrogen 3.207 N/A THR 231.A OG1 ALA 144.A O no hydrogen 3.468 N/A TYR 233.A N LEU 229.A O no hydrogen 2.911 N/A SER 234.A N PRO 230.A O no hydrogen 2.967 N/A SER 234.A OG THR 231.A O no hydrogen 2.802 N/A LEU 235.A N ASP 232.A O no hydrogen 3.014 N/A ILE 236.A N TYR 233.A O no hydrogen 2.966 N/A GLN 237.A N SER 234.A O no hydrogen 3.071 N/A ASP 238.A N SER 234.A O no hydrogen 3.145 N/A TYR 241.A N ASP 238.A OD1 no hydrogen 2.936 N/A LEU 242.A N ASP 238.A O no hydrogen 2.909 N/A SER 243.A N PRO 239.A O no hydrogen 3.339 N/A SER 243.A OG PRO 239.A O no hydrogen 3.301 N/A VAL 245.A N TYR 241.A O no hydrogen 2.888 N/A LYS 246.A N LEU 242.A O no hydrogen 2.947 N/A GLU 247.A N SER 243.A O no hydrogen 3.053 N/A TYR 248.A N ILE 244.A O no hydrogen 2.969 N/A TYR 248.A OH ASP 258.A OD2 no hydrogen 2.657 N/A ALA 249.A N VAL 245.A O no hydrogen 2.911 N/A ASN 250.A N LYS 246.A O no hydrogen 3.114 N/A ASN 250.A N GLU 247.A O no hydrogen 3.133 N/A ASN 250.A ND2 LYS 246.A O no hydrogen 2.799 N/A ASP 251.A N TYR 248.A O no hydrogen 3.371 N/A LYS 254.A N ASP 251.A OD1 no hydrogen 3.022 N/A LYS 254.A NZ ASP 258.A OD1 no hydrogen 3.131 N/A LYS 254.A NZ ASP 258.A OD2 no hydrogen 3.355 N/A PHE 255.A N ASP 251.A O no hydrogen 3.076 N/A PHE 256.A N GLN 252.A O no hydrogen 2.957 N/A LYS 257.A N ASP 253.A O no hydrogen 2.906 N/A ASP 258.A N LYS 254.A O no hydrogen 2.914 N/A PHE 259.A N PHE 255.A O no hydrogen 2.750 N/A SER 260.A N PHE 256.A O no hydrogen 2.955 N/A SER 260.A OG LYS 120.A O no hydrogen 2.649 N/A LYS 261.A N LYS 257.A O no hydrogen 3.180 N/A ALA 262.A N ASP 258.A O no hydrogen 2.986 N/A PHE 263.A N PHE 259.A O no hydrogen 2.784 N/A GLU 264.A N SER 260.A O no hydrogen 3.003 N/A LYS 265.A N LYS 261.A O no hydrogen 3.010 N/A LYS 265.A NZ ASN 159.A O no hydrogen 2.790 N/A LYS 265.A NZ GLU 164.A OE1 no hydrogen 3.270 N/A LYS 265.A NZ GLU 164.A OE2 no hydrogen 2.844 N/A LEU 266.A N ALA 262.A O no hydrogen 2.885 N/A LEU 267.A N PHE 263.A O no hydrogen 3.022 N/A GLU 268.A N LYS 265.A O no hydrogen 3.074 N/A ASN 269.A ND2 LEU 158.A O no hydrogen 3.183 N/A ILE 271.A N GLU 268.A O no hydrogen 3.071 N/A THR 272.A N HIS 3.A O no hydrogen 2.810 N/A ALA 277.A N PRO 274.A O no hydrogen 2.873 N/A PHE 281.A N TRP 123.A O no hydrogen 2.810 N/A THR 285.A N GLU 288.A OE1 no hydrogen 2.943 N/A LEU 286.A N GLU 115.A OE2 no hydrogen 3.061 N/A GLU 288.A N THR 285.A OG1 no hydrogen 2.983 N/A GLN 289.A N THR 285.A O no hydrogen 3.148 N/A GLN 289.A N LEU 286.A O no hydrogen 2.940 N/A GLN 289.A NE2 ASN 21.A OD1 no hydrogen 2.972 N/A GLY 290.A N GLU 287.A O no hydrogen 3.200 N/A LEU 291.A N LEU 286.A O no hydrogen 2.960 N/A