Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5aqe_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 1.A N SER 76.A O no hydrogen 2.801 N/A GLN 2.A NE2 ASN 74.A OD1 no hydrogen 2.975 N/A SER 3.A N.A GLY 78.A O no hydrogen 2.940 N/A SER 3.A N.B GLY 78.A O no hydrogen 2.819 N/A TRP 6.A NE1 VAL 197.A O no hydrogen 2.973 N/A ILE 8.A N PRO 5.A O no hydrogen 2.978 N/A SER 9.A N.A PRO 5.A O no hydrogen 3.372 N/A SER 9.A N.B PRO 5.A O no hydrogen 3.420 N/A SER 9.A OG.B TRP 6.A O no hydrogen 2.991 N/A ARG 10.A N TRP 6.A O no hydrogen 2.836 N/A ARG 10.A NH1 GLN 176.A O no hydrogen 2.909 N/A ARG 10.A NH1 ASN 178.A OD1 no hydrogen 2.784 N/A ARG 10.A NH2 GLN 176.A O no hydrogen 3.078 N/A VAL 11.A N GLY 7.A O no hydrogen 3.028 N/A GLN 12.A N SER 9.A O.A no hydrogen 2.876 N/A GLN 12.A N SER 9.A O.B no hydrogen 2.965 N/A ALA 13.A N ILE 8.A O no hydrogen 3.219 N/A HIS 17.A N ALA 13.A O no hydrogen 2.984 N/A HIS 17.A NE2 VAL 82.A O no hydrogen 2.777 N/A ASN 18.A N PRO 14.A O no hydrogen 2.920 N/A ARG 19.A N ALA 16.A O no hydrogen 2.972 N/A ARG 19.A NH1 GLU 265.A O no hydrogen 2.875 N/A ARG 19.A NH1 THR 268.A OG1 no hydrogen 2.920 N/A ARG 19.A NH2 GLU 265.A OE2 no hydrogen 2.732 N/A GLY 20.A N HIS 17.A O no hydrogen 2.925 N/A LEU 21.A N ALA 16.A O no hydrogen 3.036 N/A THR 22.A N GLN 230.A OE1 no hydrogen 2.781 N/A THR 22.A OG1 GLN 230.A OE1 no hydrogen 3.522 N/A GLY 23.A N GLN 230.A OE1 no hydrogen 2.819 N/A SER 24.A N.A THR 22.A OG1 no hydrogen 3.273 N/A SER 24.A N.B THR 22.A OG1 no hydrogen 3.278 N/A VAL 26.A N GLY 23.A O no hydrogen 3.061 N/A LYS 27.A N HIS 118.A ND1 no hydrogen 2.899 N/A LYS 27.A NZ.A GLU 87.A OE1 no hydrogen 2.811 N/A LYS 27.A NZ.A TYR 89.A OH no hydrogen 2.880 N/A VAL 28.A N GLU 87.A O no hydrogen 2.848 N/A ALA 29.A N VAL 119.A O no hydrogen 2.900 N/A VAL 30.A N TYR 89.A O no hydrogen 2.876 N/A LEU 31.A N ASN 121.A O no hydrogen 2.952 N/A ASP 32.A N VAL 91.A O no hydrogen 3.066 N/A THR 33.A N ASP 32.A OD1 no hydrogen 2.798 N/A THR 33.A OG1 ASP 32.A OD1 no hydrogen 3.534 N/A THR 33.A OG1 ASP 58.A OD1 no hydrogen 2.710 N/A ILE 35.A N THR 56.A O no hydrogen 2.900 N/A SER 36.A N THR 64.A OG1 no hydrogen 2.912 N/A THR 37.A N GLN 57.A OE1 no hydrogen 2.923 N/A THR 37.A OG1 GLN 57.A OE1 no hydrogen 3.377 N/A HIS 38.A NE2 THR 207.A O no hydrogen 2.854 N/A ASP 40.A N HIS 38.A ND1 no hydrogen 2.921 N/A LEU 41.A N HIS 38.A O no hydrogen 3.014 N/A ARG 44.A N.A LEU 88.A O.A no hydrogen 2.765 N/A ARG 44.A N.A LEU 88.A O.B no hydrogen 2.796 N/A ARG 44.A N.B LEU 88.A O.A no hydrogen 2.761 N/A ARG 44.A N.B LEU 88.A O.B no hydrogen 2.790 N/A ALA 47.A N ALA 90.A O no hydrogen 2.953 N/A SER 48.A OG GLU 53.A O no hydrogen 2.654 N/A PHE 49.A N LYS 92.A O no hydrogen 2.817 N/A VAL 50.A N SER 48.A OG no hydrogen 3.206 N/A GLU 53.A N VAL 50.A O no hydrogen 3.030 N/A GLN 57.A N SER 55.A OG no hydrogen 2.990 N/A GLN 57.A NE2 THR 37.A OG1 no hydrogen 3.171 N/A ASP 58.A N SER 36.A OG no hydrogen 3.006 N/A ASN 60.A N ASP 58.A OD1 no hydrogen 2.844 N/A ASN 60.A ND2 ALA 96.A O no hydrogen 2.958 N/A GLY 61.A N.A ASP 58.A OD1 no hydrogen 2.874 N/A GLY 61.A N.B ASP 58.A OD1 no hydrogen 2.855 N/A HIS 62.A N.A ASN 60.A OD1 no hydrogen 2.944 N/A HIS 62.A N.B ASN 60.A OD1 no hydrogen 3.054 N/A HIS 62.A ND1.A ASN 60.A OD1 no hydrogen 3.050 N/A HIS 62.A ND1.B ASP 32.A OD1 no hydrogen 2.630 N/A HIS 62.A ND1.B ASP 32.A OD2 no hydrogen 2.866 N/A HIS 62.A NE2.B SER 215.A OG no hydrogen 3.077 N/A GLY 63.A N.A THR 33.A OG1 no hydrogen 2.988 N/A GLY 63.A N.B THR 33.A OG1 no hydrogen 2.826 N/A THR 64.A N ASP 58.A OD2 no hydrogen 2.947 N/A THR 64.A OG1 ASP 58.A OD2 no hydrogen 2.683 N/A HIS 65.A N GLY 61.A O.A no hydrogen 3.097 N/A HIS 65.A N GLY 61.A O.B no hydrogen 3.047 N/A HIS 65.A NE2 ALA 209.A O no hydrogen 2.899 N/A VAL 66.A N HIS 62.A O.A no hydrogen 2.884 N/A VAL 66.A N HIS 62.A O.B no hydrogen 3.018 N/A ALA 67.A N GLY 63.A O.A no hydrogen 2.911 N/A ALA 67.A N GLY 63.A O.B no hydrogen 2.973 N/A GLY 68.A N THR 64.A O no hydrogen 3.068 N/A THR 69.A N HIS 65.A O no hydrogen 3.182 N/A THR 69.A OG1 HIS 65.A O no hydrogen 3.510 N/A ILE 70.A N VAL 66.A O no hydrogen 3.213 N/A ALA 71.A N ALA 67.A O no hydrogen 2.850 N/A ALA 72.A N GLY 68.A O no hydrogen 2.934 N/A LEU 73.A N ASP 40.A O no hydrogen 2.876 N/A ASN 75.A N GLN 2.A OE1 no hydrogen 2.907 N/A ASN 75.A ND2 ASP 40.A OD1 no hydrogen 2.897 N/A ILE 77.A N ASN 75.A OD1 no hydrogen 3.127 N/A VAL 79.A N ASP 40.A OD2 no hydrogen 2.864 N/A GLY 81.A N ALA 72.A O no hydrogen 2.865 N/A VAL 82.A N THR 69.A O no hydrogen 2.961 N/A ALA 83.A N ILE 70.A O no hydrogen 2.736 N/A SER 85.A N THR 22.A O no hydrogen 2.856 N/A ALA 86.A N ALA 83.A O no hydrogen 2.961 N/A GLU 87.A N VAL 26.A O no hydrogen 2.812 N/A TYR 89.A N VAL 28.A O no hydrogen 2.945 N/A ALA 90.A N GLY 45.A O no hydrogen 2.898 N/A VAL 91.A N VAL 30.A O no hydrogen 2.976 N/A LYS 92.A N ALA 47.A O no hydrogen 2.865 N/A LYS 92.A NZ GLU 53.A OE1 no hydrogen 2.853 N/A LYS 92.A NZ SER 55.A O no hydrogen 2.788 N/A LYS 92.A NZ GLN 57.A O no hydrogen 2.722 N/A VAL 93.A N ASP 32.A O no hydrogen 2.882 N/A LEU 94.A N ASP 32.A O no hydrogen 3.071 N/A GLY 95.A N SER 99.A O.A no hydrogen 2.792 N/A GLY 95.A N SER 99.A O.B no hydrogen 3.095 N/A ALA 96.A N GLU 53.A OE2 no hydrogen 2.843 N/A SER 97.A OG SER 99.A OG.A no hydrogen 3.034 N/A GLY 98.A N GLY 95.A O no hydrogen 2.813 N/A SER 99.A N.A SER 97.A OG no hydrogen 3.150 N/A SER 99.A N.B SER 97.A OG no hydrogen 3.133 N/A SER 99.A OG.A SER 97.A OG no hydrogen 3.034 N/A SER 101.A N.A SER 104.A OG.A no hydrogen 3.090 N/A SER 101.A N.B SER 104.A OG.A no hydrogen 3.336 N/A SER 101.A OG.A SER 103.A OG.B no hydrogen 2.609 N/A SER 101.A OG.B SER 103.A OG.B no hydrogen 3.142 N/A SER 101.A OG.B SER 104.A OG.A no hydrogen 2.964 N/A SER 101.A OG.B SER 104.A OG.B no hydrogen 3.060 N/A SER 103.A OG.B SER 101.A OG.A no hydrogen 2.609 N/A SER 103.A OG.B SER 101.A OG.B no hydrogen 3.142 N/A SER 104.A N SER 101.A OG.A no hydrogen 2.962 N/A SER 104.A N SER 101.A OG.B no hydrogen 3.052 N/A SER 104.A OG.A VAL 93.A O no hydrogen 2.735 N/A SER 104.A OG.A SER 101.A O no hydrogen 3.141 N/A SER 104.A OG.A SER 101.A OG.B no hydrogen 2.964 N/A SER 104.A OG.B PHE 49.A O no hydrogen 2.855 N/A SER 104.A OG.B SER 101.A OG.B no hydrogen 3.060 N/A ILE 105.A N SER 101.A O no hydrogen 3.026 N/A ALA 106.A N VAL 102.A O no hydrogen 2.877 N/A GLN 107.A N SER 103.A O no hydrogen 2.867 N/A GLY 108.A N SER 104.A O no hydrogen 2.990 N/A LEU 109.A N ILE 105.A O no hydrogen 2.968 N/A GLU 110.A N ALA 106.A O no hydrogen 2.875 N/A TRP 111.A N GLN 107.A O no hydrogen 2.889 N/A ALA 112.A N GLY 108.A O no hydrogen 2.945 N/A GLY 113.A N LEU 109.A O no hydrogen 3.079 N/A ASN 114.A N GLU 110.A O no hydrogen 2.926 N/A ASN 114.A N TRP 111.A O no hydrogen 3.098 N/A ASN 115.A N ALA 112.A O no hydrogen 3.351 N/A MET 117.A N ALA 112.A O no hydrogen 3.131 N/A HIS 118.A N LYS 27.A O no hydrogen 2.859 N/A VAL 119.A N LYS 27.A O no hydrogen 3.141 N/A ALA 120.A N LEU 146.A O no hydrogen 2.873 N/A ASN 121.A N ALA 29.A O no hydrogen 2.801 N/A ASN 121.A ND2 SER 123.A OG no hydrogen 2.986 N/A LEU 122.A N VAL 148.A O no hydrogen 2.785 N/A SER 123.A OG SER 215.A O no hydrogen 2.754 N/A SER 126.A N TYR 161.A O no hydrogen 2.881 N/A SER 128.A N SER 126.A OG no hydrogen 3.125 N/A SER 130.A N TYR 165.A OH no hydrogen 2.929 N/A LEU 133.A N.A SER 130.A OG no hydrogen 3.001 N/A LEU 133.A N.B SER 130.A OG no hydrogen 3.045 N/A GLU 134.A N.A SER 130.A O no hydrogen 2.842 N/A GLU 134.A N.B SER 130.A O no hydrogen 2.994 N/A GLN 135.A N ALA 131.A O no hydrogen 2.978 N/A ALA 136.A N THR 132.A O no hydrogen 3.279 N/A VAL 137.A N LEU 133.A O.A no hydrogen 2.973 N/A VAL 137.A N LEU 133.A O.B no hydrogen 2.804 N/A ASN 138.A N GLU 134.A O.A no hydrogen 2.978 N/A ASN 138.A N GLU 134.A O.B no hydrogen 2.855 N/A ASN 138.A ND2 GLU 134.A OE2.B no hydrogen 3.043 N/A SER 139.A N GLN 135.A O no hydrogen 2.871 N/A SER 139.A OG GLU 110.A OE1 no hydrogen 2.724 N/A SER 139.A OG GLU 110.A OE2 no hydrogen 3.491 N/A ALA 140.A N ALA 136.A O no hydrogen 2.909 N/A THR 141.A N VAL 137.A O no hydrogen 2.970 N/A THR 141.A OG1 VAL 137.A O no hydrogen 2.855 N/A THR 141.A OG1 ASN 167.A O no hydrogen 3.361 N/A SER 142.A N ASN 138.A O no hydrogen 2.919 N/A SER 142.A OG.A SER 139.A O no hydrogen 2.703 N/A SER 142.A OG.B ASN 138.A O no hydrogen 3.134 N/A ARG 143.A N SER 139.A O no hydrogen 3.112 N/A ARG 143.A N ALA 140.A O no hydrogen 3.035 N/A ARG 143.A NH1 ASN 114.A OD1 no hydrogen 2.930 N/A GLY 144.A N THR 141.A O no hydrogen 2.989 N/A VAL 145.A N ALA 140.A O no hydrogen 3.012 N/A LEU 146.A N HIS 118.A O no hydrogen 2.929 N/A VAL 148.A N ALA 120.A O no hydrogen 2.868 N/A ALA 149.A N MET 169.A O no hydrogen 2.870 N/A ALA 150.A N LEU 122.A O no hydrogen 3.111 N/A SER 151.A N VAL 171.A O no hydrogen 2.880 N/A SER 151.A OG VAL 171.A O no hydrogen 3.464 N/A SER 151.A OG GLN 185.A O no hydrogen 2.891 N/A GLY 152.A N THR 214.A OG1 no hydrogen 3.084 N/A SER 154.A N GLN 185.A OE1 no hydrogen 2.943 N/A GLY 155.A N PHE 183.A O no hydrogen 2.867 N/A ALA 156.A N SER 154.A OG no hydrogen 3.106 N/A SER 160.A N.A SER 151.A O no hydrogen 3.005 N/A SER 160.A N.B SER 151.A O no hydrogen 2.942 N/A SER 160.A N.C SER 151.A O no hydrogen 2.920 N/A SER 160.A OG.B SER 151.A O no hydrogen 2.820 N/A SER 160.A OG.C SER 151.A O no hydrogen 2.915 N/A SER 160.A OG.C GLN 185.A OE1 no hydrogen 3.306 N/A TYR 161.A N SER 126.A O no hydrogen 2.835 N/A ARG 164.A N SER 160.A O.A no hydrogen 2.802 N/A ARG 164.A N SER 160.A O.B no hydrogen 2.781 N/A ARG 164.A N SER 160.A O.C no hydrogen 2.735 N/A ARG 164.A NH1 ARG 164.A O no hydrogen 2.897 N/A TYR 165.A N PRO 162.A O no hydrogen 2.998 N/A TYR 165.A OH SER 130.A O no hydrogen 3.138 N/A ASN 167.A ND2 ASN 138.A OD1 no hydrogen 2.880 N/A ALA 168.A N TYR 165.A O no hydrogen 2.975 N/A MET 169.A N VAL 147.A O no hydrogen 2.783 N/A ALA 170.A N ASP 191.A OD2 no hydrogen 2.849 N/A VAL 171.A N ALA 149.A O no hydrogen 2.881 N/A GLY 172.A N ILE 192.A O no hydrogen 2.960 N/A ALA 173.A N SER 184.A OG no hydrogen 2.822 N/A THR 174.A N ALA 194.A O no hydrogen 2.897 N/A ASP 175.A N ASN 179.A O no hydrogen 2.903 N/A GLN 176.A N GLN 176.A OE1.A no hydrogen 2.717 N/A GLN 176.A NE2.A ASN 198.A OD1 no hydrogen 3.098 N/A ASN 177.A N ASP 175.A OD1 no hydrogen 2.907 N/A ASN 178.A N ASP 175.A O no hydrogen 2.982 N/A ASN 179.A N ASP 175.A OD1 no hydrogen 3.089 N/A ARG 180.A N TYR 257.A OH no hydrogen 2.845 N/A ARG 180.A NH1 SER 182.A O no hydrogen 3.088 N/A ARG 180.A NH1 SER 184.A O no hydrogen 2.804 N/A ALA 181.A N ALA 173.A O no hydrogen 2.873 N/A SER 184.A N ALA 181.A O no hydrogen 2.886 N/A GLN 185.A N GLY 152.A O no hydrogen 2.926 N/A GLN 185.A NE2 SER 158.A O no hydrogen 2.881 N/A GLN 185.A NE2 SER 160.A OG.A no hydrogen 3.059 N/A TYR 186.A N ALA 156.A O no hydrogen 3.038 N/A GLY 187.A N ASN 255.A O.A no hydrogen 2.813 N/A GLY 187.A N ASN 255.A O.B no hydrogen 3.143 N/A LEU 190.A N GLY 187.A O no hydrogen 3.080 N/A ASP 191.A N ALA 170.A O no hydrogen 2.965 N/A ILE 192.A N ALA 170.A O no hydrogen 3.236 N/A VAL 193.A N GLY 260.A O no hydrogen 2.900 N/A ALA 194.A N GLY 172.A O no hydrogen 2.978 N/A GLY 196.A N THR 174.A O no hydrogen 2.940 N/A ASN 198.A N ASN 212.A OD1 no hydrogen 2.747 N/A VAL 199.A N LEU 211.A O no hydrogen 3.065 N/A SER 201.A N ALA 209.A O no hydrogen 2.912 N/A SER 201.A OG HIS 65.A O no hydrogen 2.697 N/A THR 202.A OG1 THR 64.A O no hydrogen 2.809 N/A TYR 203.A N THR 207.A O no hydrogen 2.953 N/A THR 207.A N TYR 203.A O no hydrogen 3.144 N/A TYR 208.A N THR 207.A OG1 no hydrogen 2.776 N/A ALA 209.A N SER 201.A O no hydrogen 2.950 N/A LEU 211.A N VAL 199.A O no hydrogen 3.022 N/A GLY 213.A N GLY 196.A O no hydrogen 2.852 N/A THR 214.A N ASN 153.A OD1 no hydrogen 2.871 N/A THR 214.A OG1 ASN 153.A OD1 no hydrogen 2.888 N/A SER 215.A OG HIS 62.A NE2.B no hydrogen 3.077 N/A SER 215.A OG SER 123.A O no hydrogen 3.439 N/A MET 216.A N GLY 213.A O no hydrogen 2.981 N/A THR 218.A N THR 214.A O no hydrogen 3.120 N/A THR 218.A OG1 THR 214.A O no hydrogen 2.833 N/A HIS 220.A N ALA 217.A O no hydrogen 2.954 N/A HIS 220.A ND1 MET 216.A O no hydrogen 2.835 N/A ALA 222.A N THR 218.A O no hydrogen 2.952 N/A GLY 223.A N PRO 219.A O no hydrogen 2.873 N/A ALA 224.A N HIS 220.A O no hydrogen 2.965 N/A ALA 225.A N VAL 221.A O no hydrogen 2.838 N/A ALA 226.A N ALA 222.A O no hydrogen 3.135 N/A LEU 227.A N GLY 223.A O no hydrogen 3.061 N/A VAL 228.A N ALA 224.A O no hydrogen 3.009 N/A LYS 229.A N ALA 225.A O no hydrogen 2.896 N/A LYS 229.A NZ PRO 233.A O no hydrogen 2.785 N/A LYS 229.A NZ TRP 235.A O no hydrogen 3.095 N/A GLN 230.A N ALA 226.A O no hydrogen 2.962 N/A GLN 230.A NE2 GLY 20.A O no hydrogen 3.470 N/A LYS 231.A N.A LEU 227.A O no hydrogen 3.088 N/A LYS 231.A N.B LEU 227.A O no hydrogen 3.081 N/A LYS 231.A NZ.B THR 268.A O no hydrogen 3.333 N/A ASN 232.A N VAL 228.A O no hydrogen 2.876 N/A ASN 232.A ND2 VAL 228.A O no hydrogen 3.111 N/A TRP 235.A N ASN 232.A O no hydrogen 3.024 N/A SER 236.A N GLN 239.A OE1 no hydrogen 2.906 N/A SER 236.A OG GLN 239.A OE1 no hydrogen 3.378 N/A ASN 237.A ND2 THR 141.A O no hydrogen 2.979 N/A ASN 237.A ND2 VAL 145.A O no hydrogen 2.977 N/A VAL 238.A N ASN 237.A OD1 no hydrogen 2.862 N/A GLN 239.A N SER 236.A OG no hydrogen 3.019 N/A ILE 240.A N SER 236.A O no hydrogen 2.995 N/A ARG 241.A N ASN 237.A O no hydrogen 2.926 N/A ARG 241.A NH1 ALA 166.A O no hydrogen 2.859 N/A ARG 241.A NH2 ALA 166.A O no hydrogen 3.044 N/A ARG 241.A NH2 ASP 191.A OD1 no hydrogen 3.356 N/A ASN 242.A N VAL 238.A O no hydrogen 2.879 N/A HIS 243.A N GLN 239.A O no hydrogen 2.981 N/A LEU 244.A N ILE 240.A O no hydrogen 2.930 N/A LYS 245.A N ARG 241.A O no hydrogen 3.070 N/A LYS 245.A NZ ASP 191.A OD1 no hydrogen 2.751 N/A ASN 246.A N ASN 242.A O no hydrogen 2.805 N/A THR 247.A N HIS 243.A O no hydrogen 3.021 N/A THR 247.A OG1 HIS 243.A O no hydrogen 2.832 N/A ALA 248.A N LYS 245.A O no hydrogen 3.208 N/A THR 249.A N LEU 261.A O no hydrogen 2.874 N/A GLY 252.A N.B SER 250.A OG no hydrogen 3.148 N/A LEU 256.A N.A SER 253.A O.A no hydrogen 3.156 N/A LEU 256.A N.A SER 253.A OG.A no hydrogen 3.189 N/A LEU 256.A N.A SER 253.A OG.B no hydrogen 3.325 N/A LEU 256.A N.B SER 253.A OG.A no hydrogen 3.146 N/A LEU 256.A N.B SER 253.A OG.B no hydrogen 3.067 N/A TYR 257.A N SER 253.A O.A no hydrogen 3.064 N/A TYR 257.A N SER 253.A O.B no hydrogen 2.903 N/A GLY 258.A N THR 254.A O.A no hydrogen 2.841 N/A GLY 258.A N THR 254.A O.B no hydrogen 2.843 N/A SER 259.A N ASP 191.A O no hydrogen 2.959 N/A SER 259.A OG.B ASP 191.A O no hydrogen 2.810 N/A GLY 260.A N TYR 257.A O no hydrogen 2.990 N/A LEU 261.A N THR 249.A O no hydrogen 2.836 N/A VAL 262.A N VAL 193.A O no hydrogen 3.092 N/A ALA 264.A N VAL 11.A O no hydrogen 2.795 N/A ALA 266.A N ASN 263.A OD1 no hydrogen 3.039 N/A ALA 267.A N ASN 263.A O no hydrogen 2.945 N/A THR 268.A N GLU 265.A O no hydrogen 3.262 N/A THR 268.A OG1 ALA 264.A O no hydrogen 2.772 N/A THR 268.A OG1 GLU 265.A O no hydrogen 3.501 N/A ARG 269.A NE GLU 265.A OE2 no hydrogen 2.950 N/A ARG 269.A NH2 GLU 265.A OE1 no hydrogen 2.870 N/A