Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3hem_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 1.A NE2 GLU 121.A O no hydrogen 3.492 N/A LYS 3.A N ASP 145.A OD1 no hydrogen 2.833 N/A VAL 6.A N PRO 4.A O no hydrogen 2.702 N/A VAL 9.A N PRO 5.A O no hydrogen 3.167 N/A ARG 10.A N VAL 6.A O no hydrogen 2.850 N/A ARG 10.A NE LEU 92.A O no hydrogen 2.783 N/A ARG 10.A NH2 LEU 92.A O no hydrogen 3.398 N/A SER 11.A N GLU 7.A O no hydrogen 3.086 N/A SER 11.A OG ALA 8.A O no hydrogen 2.989 N/A HIS 12.A N VAL 9.A O no hydrogen 3.107 N/A HIS 12.A NE2 TYR 30.A OH no hydrogen 2.873 N/A TYR 13.A N VAL 9.A O no hydrogen 3.136 N/A TYR 13.A OH HIS 138.A NE2 no hydrogen 2.913 N/A ASP 14.A N ARG 10.A O no hydrogen 3.108 N/A LYS 15.A N HIS 12.A O no hydrogen 3.089 N/A ASN 17.A ND2 ASN 95.A O no hydrogen 2.934 N/A PHE 19.A N SER 16.A OG no hydrogen 3.056 N/A PHE 20.A N SER 16.A O no hydrogen 3.011 N/A LYS 21.A N ASN 17.A O no hydrogen 2.813 N/A LEU 22.A N GLU 18.A O no hydrogen 3.216 N/A LEU 22.A N PHE 19.A O no hydrogen 3.230 N/A TRP 23.A N PHE 20.A O no hydrogen 3.115 N/A LEU 24.A N PHE 20.A O no hydrogen 2.996 N/A SER 27.A N ASP 25.A OD2 no hydrogen 2.837 N/A SER 27.A OG ASP 25.A OD1 no hydrogen 3.071 N/A SER 27.A OG ASP 25.A OD2 no hydrogen 2.791 N/A SER 27.A OG THR 29.A OG1 no hydrogen 2.770 N/A MET 28.A N ASP 25.A O no hydrogen 3.195 N/A THR 29.A N ASP 25.A OD1 no hydrogen 2.862 N/A THR 29.A OG1 SER 27.A OG no hydrogen 2.770 N/A THR 29.A OG1 SER 74.A OG no hydrogen 3.027 N/A TYR 30.A OH HIS 12.A NE2 no hydrogen 2.873 N/A TYR 30.A OH TYR 269.A OH no hydrogen 2.709 N/A CYS 32.A SG ALA 33.A O no hydrogen 3.350 N/A CYS 32.A SG ILE 232.A O no hydrogen 3.773 N/A ALA 33.A N THR 239.A OG1 no hydrogen 3.068 N/A TYR 34.A N ALA 45.A O no hydrogen 3.278 N/A PHE 35.A N ASN 235.A OD1 no hydrogen 3.005 N/A ARG 37.A NH1 ASP 39.A OD2 no hydrogen 3.475 N/A MET 40.A N ARG 37.A O no hydrogen 3.035 N/A THR 41.A N GLU 44.A OE1 no hydrogen 2.980 N/A GLU 44.A N THR 41.A OG1 no hydrogen 3.121 N/A ALA 45.A N THR 41.A O no hydrogen 3.120 N/A ALA 45.A N LEU 42.A O no hydrogen 2.853 N/A GLN 46.A N LEU 42.A O no hydrogen 2.861 N/A GLN 46.A NE2 SER 31.A O no hydrogen 3.210 N/A TYR 47.A N GLU 43.A O no hydrogen 3.195 N/A ALA 48.A N GLU 44.A O no hydrogen 2.994 N/A LYS 49.A N ALA 45.A O no hydrogen 2.790 N/A LYS 49.A NZ SER 31.A OG no hydrogen 2.904 N/A LYS 49.A NZ CYS 32.A O no hydrogen 2.727 N/A LYS 49.A NZ GLN 46.A OE1 no hydrogen 3.107 N/A ARG 50.A N GLN 46.A O no hydrogen 2.865 N/A ARG 50.A NE HIS 78.A ND1 no hydrogen 3.281 N/A ARG 50.A NH1 SER 27.A OG no hydrogen 2.745 N/A LYS 51.A N TYR 47.A O no hydrogen 2.773 N/A LYS 51.A NZ ASP 55.A OD2 no hydrogen 2.800 N/A LEU 52.A N ALA 48.A O no hydrogen 2.856 N/A ALA 53.A N LYS 49.A O no hydrogen 3.028 N/A LEU 54.A N ARG 50.A O no hydrogen 2.924 N/A ASP 55.A N LYS 51.A O no hydrogen 2.837 N/A LYS 56.A N ALA 53.A O no hydrogen 2.936 N/A LYS 56.A NZ HIS 230.A ND1 no hydrogen 3.329 N/A LYS 56.A NZ GLN 286.A OE1 no hydrogen 2.764 N/A LEU 57.A N LEU 54.A O no hydrogen 3.040 N/A GLY 62.A N ASP 84.A O no hydrogen 2.959 N/A MET 63.A N GLU 60.A O no hydrogen 3.262 N/A THR 64.A N ASP 128.A OD1 no hydrogen 2.748 N/A LEU 65.A N ASN 86.A O no hydrogen 2.852 N/A LEU 66.A N ARG 129.A O no hydrogen 3.095 N/A ASP 67.A N ILE 88.A O no hydrogen 2.756 N/A ILE 68.A N VAL 131.A O no hydrogen 2.854 N/A GLY 69.A N LEU 90.A O no hydrogen 2.734 N/A CYS 70.A N LEU 90.A O no hydrogen 2.922 N/A CYS 70.A SG LEU 90.A O no hydrogen 3.638 N/A CYS 70.A SG ASP 100.A OD2 no hydrogen 3.734 N/A TRP 72.A NE1 ASN 17.A OD1 no hydrogen 2.795 N/A GLY 73.A N CYS 70.A O no hydrogen 2.904 N/A SER 74.A OG SER 27.A O no hydrogen 3.248 N/A SER 74.A OG THR 29.A OG1 no hydrogen 3.027 N/A ARG 77.A N GLY 73.A O no hydrogen 2.762 N/A ARG 77.A NH2 GLU 106.A OE1 no hydrogen 2.768 N/A HIS 78.A N SER 74.A O no hydrogen 3.024 N/A ALA 79.A N THR 75.A O no hydrogen 2.929 N/A ALA 79.A N MET 76.A O no hydrogen 2.841 N/A VAL 80.A N MET 76.A O no hydrogen 3.089 N/A ALA 81.A N ARG 77.A O no hydrogen 3.384 N/A GLU 82.A N HIS 78.A O no hydrogen 2.949 N/A TYR 83.A OH ASP 55.A OD1 no hydrogen 2.630 N/A ASP 84.A N VAL 80.A O no hydrogen 2.806 N/A ASN 86.A N MET 63.A O no hydrogen 2.931 N/A ASN 86.A ND2 MET 63.A O no hydrogen 3.309 N/A VAL 87.A N ARG 112.A O no hydrogen 2.876 N/A ILE 88.A N LEU 65.A O no hydrogen 2.835 N/A GLY 89.A N GLU 114.A O no hydrogen 2.612 N/A LEU 90.A N ASP 67.A O no hydrogen 2.822 N/A THR 91.A N ARG 116.A O no hydrogen 3.052 N/A THR 91.A OG1 GLN 96.A OE1 no hydrogen 2.809 N/A SER 93.A N THR 91.A OG1 no hydrogen 3.274 N/A SER 93.A OG ASP 14.A OD1 no hydrogen 2.370 N/A GLU 94.A N ASP 14.A OD2 no hydrogen 3.290 N/A ASN 95.A N ASP 14.A OD1 no hydrogen 3.038 N/A GLN 96.A N SER 93.A OG no hydrogen 2.959 N/A TYR 97.A N SER 93.A O no hydrogen 3.149 N/A ALA 98.A N GLU 94.A O no hydrogen 2.778 N/A HIS 99.A N ASN 95.A O no hydrogen 3.025 N/A ASP 100.A N GLN 96.A O no hydrogen 2.870 N/A LYS 101.A N TYR 97.A O no hydrogen 2.974 N/A ALA 102.A N ALA 98.A O no hydrogen 3.237 N/A MET 103.A N HIS 99.A O no hydrogen 2.810 N/A PHE 104.A N LYS 101.A O no hydrogen 3.285 N/A ASP 105.A N ALA 102.A O no hydrogen 2.920 N/A ARG 111.A N SER 109.A OG no hydrogen 3.307 N/A ARG 111.A NE ASP 84.A O no hydrogen 3.322 N/A ARG 111.A NE ASP 84.A OD1 no hydrogen 3.167 N/A ARG 111.A NE ASP 84.A OD2 no hydrogen 3.147 N/A ARG 111.A NH2 ASP 84.A OD2 no hydrogen 3.058 N/A ARG 112.A N ASN 86.A OD1 no hydrogen 2.994 N/A LYS 113.A NZ PHE 104.A O no hydrogen 3.521 N/A LYS 113.A NZ VAL 107.A O no hydrogen 2.519 N/A GLU 114.A N VAL 87.A O no hydrogen 2.898 N/A ARG 116.A N GLY 89.A O no hydrogen 2.823 N/A ARG 116.A NE GLU 114.A OE1 no hydrogen 3.405 N/A ARG 116.A NH1 GLN 118.A OE1 no hydrogen 3.360 N/A ARG 116.A NH1 GLU 125.A OE1 no hydrogen 3.424 N/A ARG 116.A NH1 GLU 125.A OE2 no hydrogen 2.523 N/A ARG 116.A NH2 GLU 114.A OE1 no hydrogen 2.768 N/A ARG 116.A NH2 GLU 125.A OE1 no hydrogen 2.930 N/A GLN 118.A NE2 GLU 122.A O no hydrogen 2.831 N/A GLY 119.A N GLU 122.A OE1 no hydrogen 3.068 N/A GLU 121.A N GLU 121.A OE2 no hydrogen 2.956 N/A GLU 122.A N GLY 119.A O no hydrogen 3.024 N/A PHE 123.A N TRP 120.A O no hydrogen 3.321 N/A VAL 127.A N LEU 161.A O no hydrogen 2.938 N/A ASP 128.A N THR 64.A O no hydrogen 3.001 N/A ARG 129.A N THR 64.A O no hydrogen 3.272 N/A ARG 129.A NE LEU 57.A O no hydrogen 2.736 N/A ARG 129.A NH1 ASP 128.A O no hydrogen 3.068 N/A ARG 129.A NH1 ASP 165.A OD2 no hydrogen 3.548 N/A ARG 129.A NH2 ASP 165.A OD1 no hydrogen 3.154 N/A ILE 130.A N ARG 167.A O no hydrogen 3.143 N/A VAL 131.A N LEU 66.A O no hydrogen 2.901 N/A SER 132.A N LEU 169.A O no hydrogen 3.307 N/A SER 132.A OG ILE 68.A O no hydrogen 3.509 N/A GLY 134.A N HIS 171.A O no hydrogen 3.063 N/A GLU 137.A N GLU 137.A OE1 no hydrogen 2.529 N/A HIS 138.A N ALA 135.A O no hydrogen 2.894 N/A HIS 138.A NE2 TYR 13.A OH no hydrogen 2.913 N/A PHE 139.A N PHE 136.A O no hydrogen 3.032 N/A ASP 141.A N HIS 138.A O no hydrogen 3.077 N/A GLY 142.A N ASP 141.A OD2 no hydrogen 2.826 N/A ALA 143.A N LYS 3.A O no hydrogen 2.835 N/A GLY 144.A N GLY 142.A O no hydrogen 2.611 N/A GLY 147.A N ALA 140.A O no hydrogen 2.769 N/A ARG 150.A N GLY 147.A O no hydrogen 2.836 N/A ARG 150.A NE ASP 145.A O no hydrogen 3.299 N/A ARG 150.A NE ASP 145.A OD2 no hydrogen 3.371 N/A ARG 150.A NH1 GLU 121.A OE1 no hydrogen 2.779 N/A ARG 150.A NH1 PHE 139.A O no hydrogen 3.012 N/A ARG 150.A NH2 GLU 121.A OE1 no hydrogen 2.985 N/A ARG 150.A NH2 ASP 145.A OD2 no hydrogen 3.070 N/A TYR 151.A N PHE 148.A O no hydrogen 2.964 N/A ASP 152.A N GLU 149.A O no hydrogen 3.266 N/A PHE 154.A N ARG 150.A O no hydrogen 3.088 N/A PHE 155.A N TYR 151.A O no hydrogen 3.051 N/A LYS 156.A N ASP 152.A O no hydrogen 3.218 N/A LYS 157.A N THR 153.A O no hydrogen 2.845 N/A LYS 157.A NZ GLU 121.A O no hydrogen 3.172 N/A PHE 158.A N PHE 154.A O no hydrogen 3.149 N/A TYR 159.A N PHE 155.A O no hydrogen 3.150 N/A ASN 160.A N LYS 157.A O no hydrogen 2.772 N/A THR 162.A OG1 PHE 158.A O no hydrogen 2.919 N/A THR 162.A OG1 TYR 159.A O no hydrogen 3.500 N/A GLY 166.A N PRO 163.A O no hydrogen 3.061 N/A ARG 167.A NH1 LYS 56.A O no hydrogen 2.757 N/A MET 168.A N LEU 289.A O no hydrogen 2.891 N/A LEU 169.A N ILE 130.A O no hydrogen 2.970 N/A LEU 170.A N PHE 287.A O no hydrogen 2.903 N/A HIS 171.A N SER 132.A O no hydrogen 2.960 N/A THR 172.A N CYS 285.A O no hydrogen 3.085 N/A THR 172.A OG1 ILE 173.A O no hydrogen 2.920 N/A ILE 173.A N GLU 137.A OE2 no hydrogen 2.989 N/A THR 174.A N ASP 283.A O no hydrogen 2.704 N/A ILE 175.A N PRO 210.A O no hydrogen 2.970 N/A ASP 177.A N GLU 180.A OE1 no hydrogen 3.237 N/A ALA 181.A N ASP 177.A O no hydrogen 2.877 N/A GLN 182.A N LYS 178.A O no hydrogen 3.105 N/A GLU 183.A N GLU 179.A O no hydrogen 3.079 N/A LEU 184.A N GLU 180.A O no hydrogen 2.866 N/A GLY 185.A N GLN 182.A O no hydrogen 2.903 N/A LEU 186.A N ALA 181.A O no hydrogen 3.189 N/A SER 188.A OG TYR 281.A OH no hydrogen 2.527 N/A LEU 193.A N PRO 189.A O no hydrogen 3.325 N/A ARG 194.A N MET 190.A O no hydrogen 2.844 N/A PHE 195.A N SER 191.A O no hydrogen 3.003 N/A ILE 196.A N LEU 192.A O no hydrogen 2.943 N/A LYS 197.A N LEU 193.A O no hydrogen 3.119 N/A PHE 198.A N ARG 194.A O no hydrogen 2.890 N/A ILE 199.A N PHE 195.A O no hydrogen 2.695 N/A LEU 200.A N ILE 196.A O no hydrogen 2.725 N/A THR 201.A N PHE 198.A O no hydrogen 3.230 N/A THR 201.A OG1 LYS 197.A O no hydrogen 2.467 N/A GLU 202.A N PHE 198.A O no hydrogen 2.678 N/A ILE 203.A N ILE 199.A O no hydrogen 2.916 N/A PHE 204.A N ILE 199.A O no hydrogen 2.859 N/A GLY 207.A N PHE 204.A O no hydrogen 3.093 N/A ARG 208.A N GLU 137.A O no hydrogen 2.968 N/A ARG 208.A NH1 GLY 206.A O no hydrogen 3.413 N/A ARG 211.A N GLN 214.A OE1 no hydrogen 3.127 N/A ARG 211.A NH1 ASP 177.A OD1 no hydrogen 3.433 N/A SER 213.A N ASP 177.A OD2 no hydrogen 3.285 N/A SER 213.A OG ASP 177.A OD1 no hydrogen 2.695 N/A SER 213.A OG ASP 177.A OD2 no hydrogen 3.143 N/A GLN 214.A N ARG 211.A O no hydrogen 2.704 N/A VAL 215.A N ARG 211.A O no hydrogen 3.360 N/A ASP 216.A N ILE 212.A O no hydrogen 2.945 N/A TYR 217.A N SER 213.A O no hydrogen 2.912 N/A TYR 218.A N GLN 214.A O no hydrogen 3.102 N/A SER 219.A N VAL 215.A O no hydrogen 3.019 N/A SER 219.A OG VAL 215.A O no hydrogen 2.950 N/A SER 219.A OG ASP 216.A O no hydrogen 3.052 N/A SER 220.A N ASP 216.A O no hydrogen 2.900 N/A SER 220.A OG ASP 216.A O no hydrogen 2.640 N/A SER 220.A OG TYR 217.A O no hydrogen 3.188 N/A ASN 221.A N TYR 217.A O no hydrogen 3.063 N/A ALA 222.A N SER 219.A O no hydrogen 2.876 N/A GLY 223.A N SER 219.A O no hydrogen 3.195 N/A GLY 223.A N SER 220.A O no hydrogen 3.022 N/A TRP 224.A N SER 219.A O no hydrogen 3.127 N/A TRP 224.A NE1 PHE 155.A O no hydrogen 2.983 N/A LYS 225.A N VAL 290.A O no hydrogen 2.778 N/A LYS 225.A NZ LYS 291.A O no hydrogen 3.443 N/A GLU 227.A N THR 288.A O no hydrogen 2.672 N/A TYR 229.A OH ASP 216.A OD1 no hydrogen 2.641 N/A HIS 230.A N GLN 286.A O no hydrogen 3.053 N/A ILE 232.A N VAL 284.A O no hydrogen 2.840 N/A ASN 235.A N ILE 232.A O no hydrogen 3.281 N/A ASN 235.A ND2 ILE 232.A O no hydrogen 3.102 N/A TYR 236.A N GLY 233.A O no hydrogen 3.116 N/A VAL 237.A N ALA 234.A O no hydrogen 3.477 N/A THR 239.A N ASN 235.A O no hydrogen 3.264 N/A THR 239.A OG1 ASN 235.A O no hydrogen 2.713 N/A LEU 240.A N TYR 236.A O no hydrogen 2.725 N/A ASN 241.A N VAL 237.A O no hydrogen 2.849 N/A ALA 242.A N PRO 238.A O no hydrogen 2.874 N/A TRP 243.A N THR 239.A O no hydrogen 2.953 N/A ALA 244.A N LEU 240.A O no hydrogen 2.935 N/A ASP 245.A N ASN 241.A O no hydrogen 2.721 N/A ALA 246.A N ALA 242.A O no hydrogen 2.906 N/A LEU 247.A N TRP 243.A O no hydrogen 2.915 N/A GLN 248.A N ALA 244.A O no hydrogen 2.903 N/A ALA 249.A N ASP 245.A O no hydrogen 2.772 N/A HIS 250.A N ALA 246.A O no hydrogen 2.962 N/A HIS 250.A ND1 GLU 253.A OE1 no hydrogen 3.341 N/A LYS 251.A N GLN 248.A O no hydrogen 2.727 N/A ALA 254.A N HIS 250.A O no hydrogen 2.842 N/A ILE 255.A N LYS 251.A O no hydrogen 2.862 N/A ALA 256.A N ASP 252.A O no hydrogen 3.064 N/A LEU 257.A N GLU 253.A O no hydrogen 2.832 N/A LYS 258.A N ALA 254.A O no hydrogen 3.054 N/A GLY 259.A N ILE 255.A O no hydrogen 3.146 N/A GLN 260.A NE2 GLN 260.A O no hydrogen 3.238 N/A GLN 260.A NE2 ASP 264.A OD2 no hydrogen 3.394 N/A THR 262.A OG1 LYS 258.A O no hydrogen 3.365 N/A ASP 264.A N GLN 260.A O no hydrogen 3.250 N/A ILE 265.A N GLU 261.A O no hydrogen 2.706 N/A TYR 266.A N THR 262.A O no hydrogen 2.898 N/A MET 267.A N CYS 263.A O no hydrogen 2.818 N/A HIS 268.A N ASP 264.A O no hydrogen 2.862 N/A TYR 269.A N ILE 265.A O no hydrogen 2.759 N/A TYR 269.A OH TYR 30.A OH no hydrogen 2.709 N/A LEU 270.A N TYR 266.A O no hydrogen 2.780 N/A ARG 271.A N MET 267.A O no hydrogen 2.841 N/A ARG 271.A NH1 ASP 245.A OD1 no hydrogen 3.186 N/A ARG 271.A NH2 ASP 245.A OD1 no hydrogen 2.869 N/A ARG 271.A NH2 GLN 248.A OE1 no hydrogen 3.536 N/A GLY 272.A N HIS 268.A O no hydrogen 2.971 N/A CYS 273.A N TYR 269.A O no hydrogen 2.938 N/A CYS 273.A SG TYR 269.A O no hydrogen 3.457 N/A SER 274.A N LEU 270.A O no hydrogen 3.257 N/A SER 274.A OG ASN 241.A OD1 no hydrogen 3.118 N/A ASP 275.A N GLY 272.A O no hydrogen 3.135 N/A PHE 277.A N CYS 273.A O no hydrogen 3.401 N/A PHE 277.A N SER 274.A O no hydrogen 3.163 N/A ARG 278.A N SER 274.A O no hydrogen 2.924 N/A ARG 278.A NE ASP 279.A OD1 no hydrogen 3.393 N/A ASP 279.A N ASP 275.A O no hydrogen 2.761 N/A LYS 280.A N PHE 277.A O no hydrogen 3.108 N/A TYR 281.A N LEU 276.A O no hydrogen 2.899 N/A TYR 281.A OH SER 188.A OG no hydrogen 2.527 N/A THR 282.A N LEU 276.A O no hydrogen 3.264 N/A ASP 283.A N THR 174.A O no hydrogen 2.921 N/A VAL 284.A N ASP 283.A OD1 no hydrogen 2.599 N/A CYS 285.A N THR 172.A O no hydrogen 2.887 N/A CYS 285.A SG HIS 230.A O no hydrogen 4.035 N/A GLN 286.A N HIS 230.A O no hydrogen 2.840 N/A GLN 286.A NE2 HIS 171.A ND1 no hydrogen 2.866 N/A PHE 287.A N LEU 170.A O no hydrogen 2.763 N/A THR 288.A N ARG 228.A O no hydrogen 3.058 N/A LEU 289.A N MET 168.A O no hydrogen 2.768 N/A VAL 290.A N LYS 225.A O no hydrogen 2.749 N/A LYS 291.A NZ TYR 159.A O no hydrogen 2.579 N/A LYS 291.A NZ THR 162.A O no hydrogen 2.887 N/A LYS 291.A NZ THR 162.A OG1 no hydrogen 2.764 N/A LYS 291.A NZ PRO 163.A O no hydrogen 3.034 N/A