Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3aae_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): CYS 6.A N GLN 2.A O no hydrogen 3.371 N/A CYS 6.A SG GLN 2.A O no hydrogen 3.724 N/A ALA 7.A N GLN 3.A O no hydrogen 3.133 N/A LEU 8.A N LEU 4.A O no hydrogen 2.887 N/A ASP 9.A N ASP 5.A O no hydrogen 2.971 N/A LEU 10.A N CYS 6.A O no hydrogen 2.790 N/A MET 11.A N ALA 7.A O no hydrogen 2.883 N/A ARG 13.A N LEU 10.A O no hydrogen 2.762 N/A ARG 13.A NH1 ASP 9.A OD1 no hydrogen 2.535 N/A LEU 14.A N LEU 10.A O no hydrogen 2.967 N/A GLN 17.A N GLN 17.A OE1 no hydrogen 2.814 N/A GLN 17.A NE2 ASN 186.A OD1 no hydrogen 3.264 N/A GLN 18.A N PRO 15.A O no hydrogen 2.873 N/A ILE 19.A N PRO 16.A O no hydrogen 3.150 N/A ASN 22.A N GLN 18.A O no hydrogen 3.005 N/A LEU 23.A N ILE 19.A O no hydrogen 3.003 N/A SER 24.A N GLU 20.A O no hydrogen 3.295 N/A ASP 25.A N LYS 21.A O no hydrogen 3.264 N/A LEU 26.A N ASN 22.A O no hydrogen 2.737 N/A ILE 27.A N LEU 23.A O no hydrogen 3.057 N/A ASP 28.A N SER 24.A O no hydrogen 3.325 N/A LEU 29.A N ASP 25.A O no hydrogen 2.849 N/A VAL 30.A N LEU 26.A O no hydrogen 3.081 N/A LEU 33.A N VAL 30.A O no hydrogen 2.936 N/A CYS 34.A N PRO 31.A O no hydrogen 3.174 N/A LEU 37.A N LEU 33.A O no hydrogen 2.834 N/A LEU 38.A N CYS 34.A O no hydrogen 2.924 N/A SER 39.A N ASP 36.A O no hydrogen 3.160 N/A SER 39.A OG ASP 36.A O no hydrogen 3.045 N/A SER 40.A N ASP 36.A O no hydrogen 3.078 N/A SER 40.A N LEU 37.A O no hydrogen 2.969 N/A SER 40.A OG ASP 36.A O no hydrogen 2.726 N/A VAL 41.A N LEU 37.A O no hydrogen 2.871 N/A LEU 45.A N ASP 147.A OD1 no hydrogen 3.433 N/A LYS 46.A NZ GLU 20.A OE1 no hydrogen 3.518 N/A LYS 46.A NZ GLU 20.A OE2 no hydrogen 3.168 N/A ALA 48.A N TYR 57.A O no hydrogen 2.859 N/A ASP 50.A N LYS 55.A O no hydrogen 2.942 N/A VAL 52.A N ASP 50.A OD1 no hydrogen 2.860 N/A VAL 53.A N ASP 50.A OD1 no hydrogen 3.380 N/A GLY 54.A N ASP 50.A O no hydrogen 2.993 N/A LYS 55.A N ASP 50.A O no hydrogen 3.350 N/A TYR 57.A N ALA 48.A O no hydrogen 2.863 N/A LEU 58.A N SER 116.A OG no hydrogen 3.019 N/A LEU 59.A N LYS 46.A O no hydrogen 3.039 N/A CYS 60.A N ASN 63.A OD1 no hydrogen 3.103 N/A CYS 60.A SG ASN 63.A OD1 no hydrogen 3.593 N/A ASN 63.A ND2 LEU 58.A O no hydrogen 3.476 N/A ASN 63.A ND2 ARG 70.A O no hydrogen 3.099 N/A ARG 64.A N ASP 61.A O no hydrogen 3.297 N/A ARG 64.A NE GLY 66.A O no hydrogen 3.011 N/A ARG 64.A NH2 ASP 67.A OD1 no hydrogen 3.379 N/A ASP 65.A N SER 68.A O no hydrogen 2.843 N/A SER 68.A N ASP 65.A O no hydrogen 3.060 N/A SER 68.A OG PRO 79.A O no hydrogen 2.632 N/A TYR 69.A N ASP 78.A O no hydrogen 2.866 N/A ARG 70.A N ASN 63.A O no hydrogen 2.824 N/A ARG 70.A NH1 ASN 75.A OD1 no hydrogen 3.005 N/A ARG 70.A NH1 GLU 95.A OE1 no hydrogen 2.894 N/A ARG 70.A NH1 GLU 95.A OE2 no hydrogen 3.408 N/A ARG 70.A NH2 GLU 95.A OE2 no hydrogen 2.630 N/A SER 71.A N LYS 76.A O no hydrogen 3.105 N/A SER 71.A OG ASP 50.A OD2 no hydrogen 2.615 N/A TRP 73.A N SER 71.A OG no hydrogen 3.115 N/A TRP 73.A NE1 ASP 56.A O no hydrogen 3.001 N/A SER 74.A N SER 71.A OG no hydrogen 3.295 N/A SER 74.A OG ASP 50.A OD2 no hydrogen 2.998 N/A ASN 75.A N SER 71.A O no hydrogen 2.875 N/A TYR 77.A OH ALA 85.A O no hydrogen 2.871 N/A ASP 78.A N TYR 69.A O no hydrogen 2.828 N/A ALA 85.A N ASP 65.A OD2 no hydrogen 2.727 N/A SER 88.A N ASP 121.A OD2 no hydrogen 3.256 N/A SER 88.A OG ASP 121.A OD1 no hydrogen 3.226 N/A SER 88.A OG ASP 121.A OD2 no hydrogen 3.229 N/A ARG 92.A N SER 88.A O no hydrogen 2.885 N/A ARG 92.A NH1 PRO 72.A O no hydrogen 3.071 N/A ARG 92.A NH1 GLU 95.A OE1 no hydrogen 2.733 N/A ARG 92.A NH2 PRO 72.A O no hydrogen 2.868 N/A LYS 93.A N ALA 89.A O no hydrogen 3.415 N/A GLU 95.A N LEU 91.A O no hydrogen 2.685 N/A VAL 96.A N ARG 92.A O no hydrogen 2.841 N/A GLU 97.A N LYS 93.A O no hydrogen 3.337 N/A ALA 98.A N LEU 94.A O no hydrogen 2.788 N/A ASN 99.A N GLU 95.A O no hydrogen 2.863 N/A ASN 99.A ND2 GLU 95.A O no hydrogen 3.380 N/A ASN 99.A ND2 VAL 117.A O no hydrogen 2.730 N/A ASN 100.A N VAL 96.A O no hydrogen 3.339 N/A ALA 101.A N GLU 97.A O no hydrogen 2.842 N/A PHE 102.A N ALA 98.A O no hydrogen 3.006 N/A ASP 103.A N ASN 99.A O no hydrogen 2.932 N/A GLN 104.A N ASN 100.A O no hydrogen 3.392 N/A TYR 105.A N ALA 101.A O no hydrogen 3.115 N/A TYR 105.A OH GLU 219.A OE1 no hydrogen 2.493 N/A ARG 106.A N PHE 102.A O no hydrogen 2.878 N/A ARG 106.A NH1 ASP 103.A OD2 no hydrogen 3.111 N/A ARG 106.A NH2 ASP 107.A OD1 no hydrogen 3.273 N/A ARG 106.A NH2 GLY 112.A O no hydrogen 3.161 N/A ASP 107.A N ASP 103.A O no hydrogen 3.106 N/A LEU 108.A N GLN 104.A O no hydrogen 2.823 N/A TYR 109.A N TYR 105.A O no hydrogen 3.079 N/A TYR 109.A N ARG 106.A O no hydrogen 3.162 N/A TYR 109.A OH GLU 216.A OE1 no hydrogen 2.655 N/A PHE 110.A N ARG 106.A O no hydrogen 2.707 N/A GLU 111.A N ASP 107.A O no hydrogen 3.118 N/A VAL 114.A N LYS 133.A O no hydrogen 2.852 N/A SER 116.A N LEU 131.A O no hydrogen 2.961 N/A VAL 117.A N ASN 99.A OD1 no hydrogen 2.797 N/A TYR 118.A N VAL 129.A O no hydrogen 2.880 N/A TYR 118.A OH LEU 58.A O no hydrogen 2.744 N/A LEU 119.A N GLU 95.A OE2 no hydrogen 2.854 N/A TRP 120.A N ALA 127.A O no hydrogen 2.938 N/A LEU 122.A N GLY 125.A O no hydrogen 3.182 N/A PHE 126.A N VAL 154.A O no hydrogen 3.094 N/A ALA 127.A N TRP 120.A O no hydrogen 3.018 N/A GLY 128.A N VAL 152.A O no hydrogen 2.913 N/A VAL 129.A N TYR 118.A O no hydrogen 2.756 N/A ILE 130.A N HIS 150.A O no hydrogen 2.753 N/A LEU 131.A N SER 116.A O no hydrogen 2.813 N/A ILE 132.A N SER 148.A O no hydrogen 3.203 N/A LYS 133.A N VAL 114.A O no hydrogen 2.888 N/A LYS 133.A NZ LEU 45.A O no hydrogen 2.816 N/A LYS 133.A NZ ASP 147.A OD1 no hydrogen 2.966 N/A LYS 134.A N TRP 146.A O no hydrogen 2.968 N/A LYS 134.A NZ PHE 110.A O no hydrogen 3.169 N/A GLY 136.A N GLY 144.A O no hydrogen 2.947 N/A ASP 137.A N ASP 137.A OD1 no hydrogen 2.471 N/A LYS 140.A NZ ASP 137.A OD1 no hydrogen 3.327 N/A LYS 140.A NZ ASP 137.A OD2 no hydrogen 3.239 N/A LYS 143.A N GLN 176.A O no hydrogen 2.952 N/A CYS 145.A N TRP 174.A O no hydrogen 2.855 N/A CYS 145.A SG LYS 134.A O no hydrogen 3.623 N/A TRP 146.A N LYS 134.A O no hydrogen 2.888 N/A TRP 146.A NE1 SER 148.A OG no hydrogen 2.606 N/A ASP 147.A N MET 172.A O no hydrogen 2.848 N/A SER 148.A N ILE 132.A O no hydrogen 2.729 N/A SER 148.A OG GLU 219.A OE2 no hydrogen 2.727 N/A ILE 149.A N THR 170.A O no hydrogen 2.760 N/A HIS 150.A N ILE 130.A O no hydrogen 2.975 N/A HIS 150.A ND1 SER 169.A OG no hydrogen 2.590 N/A HIS 150.A NE2 GLU 219.A OE2 no hydrogen 2.746 N/A VAL 151.A N THR 168.A O no hydrogen 2.912 N/A VAL 152.A N GLY 128.A O no hydrogen 2.905 N/A GLU 153.A N LYS 166.A O no hydrogen 2.719 N/A VAL 154.A N PHE 126.A O no hydrogen 2.754 N/A GLN 155.A N HIS 164.A O no hydrogen 2.981 N/A GLU 156.A N HIS 124.A O no hydrogen 3.090 N/A SER 159.A OG GLY 160.A O no hydrogen 2.753 N/A GLY 160.A N LYS 157.A O no hydrogen 3.338 N/A ALA 163.A N GLU 199.A O no hydrogen 3.186 N/A HIS 164.A N GLN 155.A O no hydrogen 3.058 N/A TYR 165.A N LYS 197.A O no hydrogen 2.718 N/A TYR 165.A OH HIS 207.A ND1 no hydrogen 2.574 N/A LYS 166.A N GLU 153.A O no hydrogen 2.959 N/A LEU 167.A N MET 195.A O no hydrogen 2.949 N/A THR 168.A N VAL 151.A O no hydrogen 2.913 N/A SER 169.A N ARG 193.A O no hydrogen 3.120 N/A SER 169.A OG HIS 150.A ND1 no hydrogen 2.590 N/A THR 170.A N ILE 149.A O no hydrogen 2.845 N/A THR 170.A OG1 ASP 42.A OD2 no hydrogen 3.089 N/A THR 170.A OG1 THR 192.A OG1 no hydrogen 2.759 N/A VAL 171.A N LEU 191.A O no hydrogen 3.081 N/A MET 172.A N ASP 147.A O no hydrogen 2.739 N/A LEU 173.A N GLY 189.A O no hydrogen 2.820 N/A TRP 174.A N CYS 145.A O no hydrogen 2.908 N/A TRP 174.A NE1 ASP 147.A OD2 no hydrogen 3.219 N/A LEU 175.A N LEU 187.A O no hydrogen 2.882 N/A THR 177.A N MET 185.A O no hydrogen 3.039 N/A SER 182.A N LYS 179.A O no hydrogen 3.013 N/A GLY 183.A N THR 180.A O no hydrogen 3.481 N/A MET 185.A N THR 177.A O no hydrogen 3.038 N/A LEU 187.A N LEU 175.A O no hydrogen 2.871 N/A LEU 191.A N VAL 171.A O no hydrogen 3.140 N/A THR 192.A OG1 THR 170.A OG1 no hydrogen 2.759 N/A ARG 193.A N SER 169.A O no hydrogen 2.963 N/A MET 195.A N LEU 167.A O no hydrogen 3.138 N/A LYS 197.A N TYR 165.A O no hydrogen 2.980 N/A GLU 199.A N ALA 163.A O no hydrogen 3.002 N/A VAL 201.A N ARG 161.A O no hydrogen 2.835 N/A SER 202.A N SER 205.A O no hydrogen 3.062 N/A SER 202.A OG SER 204.A OG no hydrogen 3.037 N/A SER 204.A OG SER 202.A OG no hydrogen 3.037 N/A SER 205.A N SER 202.A OG no hydrogen 2.726 N/A SER 205.A OG ASN 210.A OD1 no hydrogen 2.911 N/A HIS 207.A ND1 TYR 165.A OH no hydrogen 2.574 N/A HIS 207.A NE2 GLU 156.A OE2 no hydrogen 3.166 N/A ASN 210.A N PRO 206.A O no hydrogen 3.265 N/A ASN 210.A ND2 TYR 165.A OH no hydrogen 3.106 N/A ASN 210.A ND2 THR 200.A O no hydrogen 3.038 N/A ILE 211.A N HIS 207.A O no hydrogen 2.826 N/A GLY 212.A N ILE 208.A O no hydrogen 2.804 N/A ARG 213.A N ALA 209.A O no hydrogen 3.130 N/A ARG 213.A NH2 ASN 210.A OD1 no hydrogen 3.242 N/A LEU 214.A N ASN 210.A O no hydrogen 3.329 N/A VAL 215.A N ILE 211.A O no hydrogen 2.877 N/A GLU 216.A N GLY 212.A O no hydrogen 2.847 N/A ASP 217.A N ARG 213.A O no hydrogen 3.028 N/A MET 218.A N LEU 214.A O no hydrogen 3.075 N/A GLU 219.A N VAL 215.A O no hydrogen 2.756 N/A ASN 220.A N GLU 216.A O no hydrogen 2.983 N/A ASN 220.A ND2 TYR 109.A OH no hydrogen 3.071 N/A LYS 221.A N ASP 217.A O no hydrogen 2.945 N/A ILE 222.A N MET 218.A O no hydrogen 2.733 N/A ARG 223.A N GLU 219.A O no hydrogen 2.916 N/A THR 225.A N LYS 221.A O no hydrogen 3.297 N/A THR 225.A OG1 LYS 221.A O no hydrogen 3.062 N/A THR 225.A OG1 ILE 222.A O no hydrogen 3.302 N/A LEU 226.A N ILE 222.A O no hydrogen 2.692 N/A ASN 227.A N ARG 223.A O no hydrogen 3.258 N/A GLU 228.A N SER 224.A O no hydrogen 3.064 N/A ILE 229.A N THR 225.A O no hydrogen 2.814 N/A TYR 230.A N LEU 226.A O no hydrogen 2.731 N/A TYR 230.A OH LEU 173.A O no hydrogen 2.622 N/A PHE 231.A N ASN 227.A O no hydrogen 3.116 N/A LYS 233.A N GLU 228.A O no hydrogen 2.962 N/A THR 234.A N ILE 229.A O no hydrogen 2.991 N/A THR 234.A OG1 TYR 230.A O no hydrogen 2.470 N/A ASP 236.A N GLY 232.A O no hydrogen 3.100 N/A ILE 237.A N LYS 233.A O no hydrogen 2.965 N/A VAL 238.A N THR 234.A O no hydrogen 3.140 N/A ASN 239.A N LYS 235.A O no hydrogen 2.867 N/A GLY 240.A N ASP 236.A O no hydrogen 2.824 N/A GLY 240.A N ILE 237.A O no hydrogen 2.926 N/A LEU 241.A N VAL 238.A O no hydrogen 2.932 N/A SER 243.A OG ASP 245.A O no hydrogen 2.791 N/A GLN 251.A N PRO 248.A O no hydrogen 3.182 N/A LYS 252.A N PRO 248.A O no hydrogen 3.396 N/A LYS 252.A NZ ILE 247.A O no hydrogen 2.903 N/A TYR 253.A N ASP 249.A O no hydrogen 3.036 N/A LYS 254.A N ASN 250.A O no hydrogen 2.791 N/A GLN 255.A N GLN 251.A O no hydrogen 2.741 N/A LEU 256.A N LYS 252.A O no hydrogen 3.331 N/A GLN 257.A N TYR 253.A O no hydrogen 2.976 N/A ARG 258.A N LYS 254.A O no hydrogen 3.352 N/A GLU 259.A N GLN 255.A O no hydrogen 2.849 N/A LEU 260.A N LEU 256.A O no hydrogen 3.053 N/A SER 261.A OG GLN 257.A O no hydrogen 2.818 N/A GLN 262.A N ARG 258.A O no hydrogen 3.260 N/A VAL 263.A N SER 261.A O no hydrogen 2.677 N/A