Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2aqx_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TRP 4.A N MET 1.A O no hydrogen 3.266 N/A SER 5.A OG PHE 7.A O no hydrogen 2.997 N/A LYS 13.A NZ ALA 81.A O no hydrogen 2.651 N/A LYS 13.A NZ PHE 83.A O no hydrogen 2.780 N/A TYR 15.A OH ASP 78.A OD2 no hydrogen 2.583 N/A TRP 17.A NE1 ASP 78.A OD1 no hydrogen 3.078 N/A GLN 19.A NE2 ALA 21.A O no hydrogen 3.125 N/A GLN 19.A NE2 HIS 23.A O no hydrogen 3.028 N/A SER 26.A N HIS 23.A O no hydrogen 3.289 N/A SER 26.A OG HIS 23.A O no hydrogen 2.772 N/A LYS 28.A N LEU 36.A O no hydrogen 2.944 N/A ALA 30.A N ARG 34.A O no hydrogen 2.999 N/A ARG 34.A N ALA 31.A O no hydrogen 3.155 N/A ILE 35.A N MET 76.A O no hydrogen 2.714 N/A LEU 36.A N LYS 28.A O no hydrogen 2.973 N/A LYS 37.A N ASN 74.A O no hydrogen 2.859 N/A LYS 37.A NZ GLU 43.A OE1 no hydrogen 2.959 N/A LYS 37.A NZ ASP 244.A OD1 no hydrogen 3.301 N/A LYS 38.A N SER 26.A O no hydrogen 2.743 N/A LYS 38.A NZ GLY 25.A O no hydrogen 3.266 N/A HIS 39.A N ARG 72.A O no hydrogen 2.746 N/A HIS 39.A NE2 GLN 44.A OE1 no hydrogen 3.069 N/A SER 42.A OG GLY 246.A O no hydrogen 2.879 N/A GLN 44.A N CYS 40.A O no hydrogen 3.095 N/A ARG 45.A N GLU 41.A O no hydrogen 3.134 N/A CYS 46.A N SER 42.A O no hydrogen 2.976 N/A CYS 46.A SG SER 42.A O no hydrogen 3.448 N/A CYS 46.A SG THR 248.A O no hydrogen 3.136 N/A LEU 47.A N GLU 43.A O no hydrogen 2.835 N/A ASP 48.A N GLN 44.A O no hydrogen 3.031 N/A ARG 49.A N ARG 45.A O no hydrogen 3.437 N/A LEU 50.A N CYS 46.A O no hydrogen 2.805 N/A MET 51.A N LEU 47.A O no hydrogen 2.669 N/A ALA 52.A N ARG 49.A O no hydrogen 3.041 N/A LEU 55.A N ASP 53.A OD2 no hydrogen 3.196 N/A ARG 56.A N ASP 53.A O no hydrogen 3.057 N/A ARG 56.A NH1 MET 51.A O no hydrogen 3.394 N/A PHE 58.A N LEU 55.A O no hydrogen 2.917 N/A VAL 59.A N ARG 56.A O no hydrogen 3.218 N/A TYR 62.A OH ASN 74.A OD1 no hydrogen 3.227 N/A HIS 63.A N GLN 75.A O no hydrogen 3.032 N/A VAL 66.A N TYR 73.A O no hydrogen 2.811 N/A LYS 68.A N GLU 71.A O no hydrogen 2.777 N/A GLU 71.A N LYS 68.A O no hydrogen 2.848 N/A ARG 72.A NE ASP 65.A OD2 no hydrogen 3.163 N/A ARG 72.A NH2 ASP 65.A OD2 no hydrogen 3.321 N/A TYR 73.A N VAL 66.A O no hydrogen 2.592 N/A ASN 74.A N LYS 37.A O no hydrogen 2.729 N/A ASN 74.A ND2 CYS 40.A O no hydrogen 3.484 N/A GLN 75.A N GLY 64.A O no hydrogen 2.688 N/A MET 76.A N ILE 35.A O no hydrogen 2.826 N/A ASP 77.A N ALA 61.A O no hydrogen 3.144 N/A ASP 78.A N GLY 33.A O no hydrogen 2.687 N/A LEU 80.A N ASP 78.A OD1 no hydrogen 2.794 N/A ALA 81.A N ASP 78.A O no hydrogen 2.778 N/A PHE 83.A N LEU 80.A O no hydrogen 3.209 N/A ASP 84.A N ASP 233.A OD2 no hydrogen 2.745 N/A CYS 87.A N HIS 232.A O no hydrogen 2.767 N/A VAL 88.A N LYS 164.A O no hydrogen 3.148 N/A MET 89.A N PHE 230.A O no hydrogen 2.713 N/A ASP 90.A N GLY 162.A O no hydrogen 2.989 N/A CYS 91.A N LEU 228.A O no hydrogen 2.890 N/A LYS 92.A N ARG 159.A O no hydrogen 2.691 N/A MET 93.A N SER 226.A O no hydrogen 2.998 N/A GLY 94.A N GLY 157.A O no hydrogen 2.769 N/A VAL 95.A N ASP 270.A O no hydrogen 2.856 N/A ARG 96.A NE TYR 98.A O no hydrogen 3.250 N/A ARG 96.A NH1 GLU 269.A O no hydrogen 2.803 N/A ARG 96.A NH2 TYR 98.A O no hydrogen 2.960 N/A ARG 96.A NH2 GLU 222.A OE2 no hydrogen 2.658 N/A THR 97.A N GLU 148.A OE1 no hydrogen 2.330 N/A THR 97.A OG1 GLU 148.A OE1 no hydrogen 2.693 N/A THR 97.A OG1 GLU 148.A OE2 no hydrogen 2.952 N/A LEU 99.A N GLU 102.A OE1 no hydrogen 2.562 N/A GLU 100.A N GLU 222.A OE2 no hydrogen 3.067 N/A GLU 102.A N LEU 99.A O no hydrogen 3.155 N/A LEU 103.A N LEU 99.A O no hydrogen 3.425 N/A THR 104.A N GLU 100.A O no hydrogen 3.042 N/A THR 104.A OG1 GLU 100.A O no hydrogen 3.011 N/A LYS 105.A N GLU 101.A O no hydrogen 2.927 N/A ALA 106.A N GLU 102.A O no hydrogen 3.110 N/A ARG 107.A N LEU 103.A O no hydrogen 2.766 N/A ARG 107.A NH2 GLU 265.A OE1 no hydrogen 2.525 N/A ARG 107.A NH2 GLU 265.A OE2 no hydrogen 3.000 N/A LYS 108.A N LYS 105.A O no hydrogen 3.156 N/A ARG 113.A N VAL 138.A O no hydrogen 2.599 N/A ARG 113.A NE ASP 115.A OD1 no hydrogen 3.391 N/A ARG 113.A NH2 ASP 115.A OD2 no hydrogen 2.841 N/A LYS 114.A NZ ASP 115.A OD1 no hydrogen 3.231 N/A MET 116.A N ASP 115.A OD1 no hydrogen 2.818 N/A TYR 117.A N ARG 113.A O no hydrogen 3.004 N/A GLN 118.A N LYS 114.A O no hydrogen 2.837 N/A LYS 119.A N ASP 115.A O no hydrogen 2.871 N/A MET 120.A N MET 116.A O no hydrogen 3.011 N/A VAL 121.A N TYR 117.A O no hydrogen 2.844 N/A GLU 122.A N GLN 118.A O no hydrogen 3.090 N/A VAL 123.A N LYS 119.A O no hydrogen 2.897 N/A ASP 124.A N MET 120.A O no hydrogen 2.796 N/A GLU 126.A N ASP 124.A OD1 no hydrogen 2.790 N/A ALA 127.A N ASP 124.A O no hydrogen 3.338 N/A THR 129.A N GLU 132.A OE1 no hydrogen 2.815 N/A GLU 131.A N GLU 131.A OE1 no hydrogen 3.108 N/A GLU 132.A N THR 129.A OG1 no hydrogen 2.976 N/A LYS 133.A N THR 129.A O no hydrogen 2.877 N/A LYS 133.A NZ PRO 128.A O no hydrogen 2.694 N/A ALA 134.A N GLU 130.A O no hydrogen 2.948 N/A GLN 135.A N GLU 131.A O no hydrogen 2.951 N/A GLN 135.A NE2 GLU 131.A O no hydrogen 3.099 N/A ARG 136.A N LYS 133.A O no hydrogen 3.156 N/A ALA 137.A N GLU 132.A O no hydrogen 3.386 N/A VAL 138.A N ARG 113.A O no hydrogen 3.146 N/A ARG 142.A NE GLU 132.A OE1 no hydrogen 3.102 N/A ARG 142.A NE GLU 132.A OE2 no hydrogen 2.726 N/A ARG 142.A NH2 GLU 132.A OE1 no hydrogen 3.282 N/A TYR 143.A N THR 139.A O no hydrogen 3.156 N/A MET 144.A N LYS 140.A O no hydrogen 2.610 N/A GLN 145.A N PRO 141.A O no hydrogen 3.133 N/A TRP 146.A N ARG 142.A O no hydrogen 2.872 N/A ARG 147.A N TYR 143.A O no hydrogen 2.955 N/A ARG 147.A NH1 THR 97.A OG1 no hydrogen 3.024 N/A GLU 148.A N GLN 145.A O no hydrogen 3.245 N/A THR 149.A N TRP 146.A O no hydrogen 2.798 N/A SER 152.A N THR 177.A O no hydrogen 3.083 N/A SER 152.A OG PHE 158.A O no hydrogen 2.697 N/A THR 153.A N SER 151.A OG no hydrogen 3.371 N/A ALA 154.A N GLU 148.A O no hydrogen 3.157 N/A LEU 156.A N SER 152.A O no hydrogen 2.828 N/A GLY 157.A N SER 152.A O no hydrogen 3.187 N/A GLY 157.A N THR 153.A O no hydrogen 2.980 N/A ARG 159.A N LYS 92.A O no hydrogen 2.854 N/A ARG 159.A NE GLU 161.A OE1 no hydrogen 2.743 N/A ARG 159.A NH1 GLU 148.A OE2 no hydrogen 3.357 N/A ARG 159.A NH1 THR 153.A OG1 no hydrogen 3.269 N/A GLU 161.A N ASP 90.A O no hydrogen 2.763 N/A GLY 162.A N ASP 90.A O no hydrogen 3.503 N/A ILE 163.A N ASN 171.A O no hydrogen 2.966 N/A LYS 164.A N VAL 88.A O no hydrogen 2.846 N/A LYS 165.A N SER 169.A O no hydrogen 2.911 N/A LYS 165.A NZ SER 169.A OG no hydrogen 2.938 N/A LYS 165.A NZ GLU 189.A OE2 no hydrogen 3.283 N/A GLY 168.A N LYS 165.A O no hydrogen 2.862 N/A ASN 171.A N ILE 163.A O no hydrogen 2.810 N/A ARG 172.A NE LEU 20.A O no hydrogen 2.737 N/A ARG 172.A NH2 GLN 19.A O no hydrogen 2.809 N/A ARG 172.A NH2 LEU 20.A O no hydrogen 3.318 N/A PHE 174.A N ARG 172.A O no hydrogen 3.067 N/A LYS 175.A NZ ARG 172.A O no hydrogen 2.929 N/A LYS 176.A NZ VAL 123.A O no hydrogen 2.938 N/A THR 177.A N PHE 174.A O no hydrogen 3.000 N/A LYS 178.A N GLN 182.A OE1 no hydrogen 3.016 N/A THR 179.A N GLN 182.A OE1 no hydrogen 3.055 N/A THR 179.A OG1 GLN 182.A OE1 no hydrogen 3.061 N/A ARG 180.A NH1 GLU 285.A OE2 no hydrogen 3.068 N/A ARG 180.A NH2 GLU 285.A OE2 no hydrogen 3.014 N/A GLN 182.A N THR 179.A OG1 no hydrogen 3.041 N/A GLN 182.A NE2 LYS 176.A O no hydrogen 2.700 N/A VAL 183.A N THR 179.A O no hydrogen 3.073 N/A THR 184.A N ARG 180.A O no hydrogen 2.976 N/A THR 184.A OG1 ARG 180.A O no hydrogen 3.007 N/A GLU 185.A N GLU 181.A O no hydrogen 2.892 N/A ALA 186.A N GLN 182.A O no hydrogen 3.087 N/A PHE 187.A N VAL 183.A O no hydrogen 2.950 N/A ARG 188.A N THR 184.A O no hydrogen 2.725 N/A GLU 189.A N GLU 185.A O no hydrogen 3.007 N/A PHE 190.A N ALA 186.A O no hydrogen 2.815 N/A LYS 192.A N GLU 189.A O no hydrogen 3.124 N/A GLY 193.A N ARG 188.A O no hydrogen 3.004 N/A ASN 194.A N THR 191.A O no hydrogen 3.231 N/A ASN 194.A ND2 GLU 236.A OE2 no hydrogen 2.903 N/A GLN 195.A NE2 GLN 288.A O no hydrogen 3.156 N/A ASN 196.A ND2 GLU 236.A OE1 no hydrogen 3.354 N/A ILE 197.A N ASN 194.A OD1 no hydrogen 2.808 N/A LEU 198.A N ASN 194.A O no hydrogen 3.082 N/A ILE 199.A N GLN 195.A O no hydrogen 3.016 N/A ALA 200.A N ASN 196.A O no hydrogen 3.220 N/A TYR 201.A N ILE 197.A O no hydrogen 3.089 N/A ARG 202.A N LEU 198.A O no hydrogen 2.769 N/A ARG 202.A NE ASP 203.A OD1 no hydrogen 2.849 N/A ARG 202.A NH2 ASP 203.A OD1 no hydrogen 3.369 N/A ASP 203.A N ILE 199.A O no hydrogen 2.759 N/A ARG 204.A N ALA 200.A O no hydrogen 2.850 N/A ARG 204.A NH1 VAL 240.A O no hydrogen 2.649 N/A LEU 205.A N TYR 201.A O no hydrogen 2.899 N/A LYS 206.A N ARG 202.A O no hydrogen 3.048 N/A ALA 207.A N ASP 203.A O no hydrogen 2.947 N/A ILE 208.A N ARG 204.A O no hydrogen 3.061 N/A ARG 209.A N LEU 205.A O no hydrogen 2.883 N/A ARG 209.A NE ASP 277.A OD1 no hydrogen 2.549 N/A ARG 209.A NH1 GLU 213.A OE2 no hydrogen 3.163 N/A ARG 209.A NH2 ASP 277.A OD1 no hydrogen 3.020 N/A ARG 209.A NH2 ASP 277.A OD2 no hydrogen 2.983 N/A ALA 210.A N LYS 206.A O no hydrogen 2.978 N/A THR 211.A N ALA 207.A O no hydrogen 3.132 N/A THR 211.A N ILE 208.A O no hydrogen 3.010 N/A THR 211.A OG1 ALA 207.A O no hydrogen 3.215 N/A LEU 212.A N ILE 208.A O no hydrogen 3.025 N/A GLU 213.A N ARG 209.A O no hydrogen 3.138 N/A ILE 214.A N THR 211.A O no hydrogen 3.123 N/A SER 215.A N LEU 212.A O no hydrogen 2.934 N/A SER 215.A OG ASP 53.A OD2 no hydrogen 2.692 N/A PHE 217.A N ASP 53.A OD1 no hydrogen 3.031 N/A PHE 218.A N SER 215.A OG no hydrogen 2.788 N/A LYS 219.A N SER 215.A O no hydrogen 2.902 N/A CYS 220.A N PHE 217.A O no hydrogen 3.243 N/A CYS 220.A SG PRO 216.A O no hydrogen 3.308 N/A CYS 220.A SG PHE 217.A O no hydrogen 3.795 N/A CYS 220.A SG HIS 221.A ND1 no hydrogen 3.759 N/A HIS 221.A N PHE 218.A O no hydrogen 3.326 N/A HIS 221.A ND1 PHE 217.A O no hydrogen 3.152 N/A GLU 222.A N THR 249.A O no hydrogen 2.831 N/A VAL 223.A N ASP 270.A OD2 no hydrogen 2.821 N/A SER 227.A N ILE 243.A O no hydrogen 2.855 N/A SER 227.A OG ASP 90.A OD1 no hydrogen 2.695 N/A LEU 228.A N CYS 91.A O no hydrogen 2.771 N/A LEU 229.A N TRP 241.A O no hydrogen 2.849 N/A PHE 230.A N MET 89.A O no hydrogen 2.614 N/A ILE 231.A N LYS 239.A O no hydrogen 2.873 N/A HIS 232.A N CYS 87.A O no hydrogen 3.102 N/A HIS 232.A NE2 PHE 190.A O no hydrogen 2.917 N/A ASP 233.A N GLN 237.A O no hydrogen 3.077 N/A LYS 234.A NZ GLU 166.A OE1 no hydrogen 3.329 N/A GLU 236.A N ASP 233.A O no hydrogen 2.942 N/A GLN 237.A N ASP 233.A OD1 no hydrogen 3.066 N/A GLN 237.A NE2 ASP 82.A O no hydrogen 2.765 N/A LYS 239.A N ILE 231.A O no hydrogen 2.785 N/A TRP 241.A N LEU 229.A O no hydrogen 3.089 N/A MET 242.A N PHE 58.A O no hydrogen 2.787 N/A ILE 243.A N SER 227.A O no hydrogen 2.997 N/A PHE 245.A N GLU 43.A OE2 no hydrogen 2.510 N/A GLY 246.A N ASP 244.A OD1 no hydrogen 2.992 N/A THR 248.A N PHE 245.A O no hydrogen 3.042 N/A THR 248.A OG1 ILE 224.A O no hydrogen 3.319 N/A THR 249.A N GLU 222.A O no hydrogen 3.174 N/A LEU 251.A N CYS 220.A O no hydrogen 2.915 N/A THR 256.A OG1 LYS 219.A O no hydrogen 3.053 N/A LEU 257.A N LYS 219.A O no hydrogen 2.903 N/A GLN 258.A N GLU 269.A OE2 no hydrogen 2.746 N/A HIS 259.A N GLU 269.A OE1 no hydrogen 2.736 N/A HIS 259.A NE2 HIS 221.A O no hydrogen 3.062 N/A TRP 263.A NE1 GLU 100.A OE2 no hydrogen 2.729 N/A GLN 264.A N ASN 267.A OD1 no hydrogen 2.934 N/A GLY 266.A N GLU 100.A OE2 no hydrogen 2.537 N/A ASN 267.A N GLN 264.A O no hydrogen 2.658 N/A ASN 267.A ND2 PRO 262.A O no hydrogen 3.023 N/A ARG 268.A N GLU 100.A OE2 no hydrogen 3.353 N/A ARG 268.A NE GLU 222.A OE1 no hydrogen 2.481 N/A GLU 269.A N ASN 267.A OD1 no hydrogen 3.030 N/A TYR 272.A N ASP 270.A OD1 no hydrogen 3.165 N/A LEU 273.A N HIS 259.A O no hydrogen 2.743 N/A SER 274.A N GLY 271.A O no hydrogen 3.071 N/A GLY 275.A N GLY 271.A O no hydrogen 3.136 N/A LEU 276.A N TYR 272.A O no hydrogen 2.996 N/A ASP 277.A N LEU 273.A O no hydrogen 2.631 N/A ASN 278.A N SER 274.A O no hydrogen 2.972 N/A ASN 278.A ND2 LEU 156.A O no hydrogen 2.825 N/A LEU 279.A N GLY 275.A O no hydrogen 2.955 N/A ILE 280.A N LEU 276.A O no hydrogen 3.082 N/A ASP 281.A N ASP 277.A O no hydrogen 2.880 N/A ILE 282.A N ASN 278.A O no hydrogen 2.934 N/A LEU 283.A N LEU 279.A O no hydrogen 2.944 N/A THR 284.A N ILE 280.A O no hydrogen 2.899 N/A THR 284.A OG1 ILE 280.A O no hydrogen 2.638 N/A GLU 285.A N ASP 281.A O no hydrogen 2.858 N/A MET 286.A N ILE 282.A O no hydrogen 2.937 N/A SER 287.A N LEU 283.A O no hydrogen 3.222 N/A SER 287.A N THR 284.A O no hydrogen 3.005 N/A SER 287.A OG LEU 283.A O no hydrogen 2.958 N/A SER 287.A OG THR 284.A O no hydrogen 2.749 N/A GLN 288.A N THR 284.A O no hydrogen 3.112 N/A