Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3bqi_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): CYS 2.A SG CYS 183.A O no hydrogen 3.566 N/A LEU 4.A N CYS 2.A O no hydrogen 2.746 N/A ALA 6.A N ASP 3.A O no hydrogen 2.945 N/A SER 15.A OG GLU 96.A OE1 no hydrogen 2.546 N/A SER 15.A OG GLU 96.A OE2 no hydrogen 3.461 N/A LYS 16.A NZ ASN 54.A O no hydrogen 2.801 N/A LYS 16.A NZ GLU 90.A OE1 no hydrogen 2.804 N/A ASP 19.A N TYR 97.A OH no hydrogen 2.795 N/A GLY 20.A N THR 17.A O no hydrogen 2.832 N/A LYS 21.A N GLY 27.A O no hydrogen 2.767 N/A GLY 25.A N ILE 22.A O no hydrogen 2.916 N/A GLU 29.A N GLU 29.A OE1 no hydrogen 2.872 N/A LYS 30.A N TYR 18.A O no hydrogen 2.815 N/A TRP 32.A NE1 GLN 221.A OE1 no hydrogen 2.879 N/A ILE 33.A N ILE 48.A O no hydrogen 3.151 N/A LYS 35.A N ALA 46.A O no hydrogen 2.962 N/A ILE 38.A N ASP 36.A O no hydrogen 2.844 N/A HIS 40.A N THR 43.A O no hydrogen 2.927 N/A HIS 40.A NE2 GLN 210.A OE1 no hydrogen 2.748 N/A THR 43.A OG1 ASN 44.A OD1 no hydrogen 3.213 N/A ASN 44.A N THR 43.A OG1 no hydrogen 2.606 N/A GLY 45.A N ILE 38.A O no hydrogen 2.738 N/A ILE 48.A N ILE 33.A O no hydrogen 2.723 N/A ARG 51.A NE GLU 217.A OE1 no hydrogen 3.368 N/A ARG 51.A NE GLU 217.A OE2 no hydrogen 3.033 N/A ARG 51.A NH1 SER 124.A OG no hydrogen 3.070 N/A ARG 51.A NH1 ASP 127.A OD2 no hydrogen 2.731 N/A ARG 51.A NH2 ASP 127.A OD2 no hydrogen 3.074 N/A ARG 51.A NH2 GLU 217.A OE1 no hydrogen 2.750 N/A THR 52.A OG1 ASP 127.A OD2 no hydrogen 2.710 N/A GLN 53.A N PRO 49.A O no hydrogen 3.239 N/A GLN 53.A NE2 GLN 31.A O no hydrogen 2.985 N/A GLN 53.A NE2 ILE 48.A O no hydrogen 2.904 N/A ASN 54.A N ARG 51.A O no hydrogen 2.797 N/A LEU 55.A N THR 52.A O no hydrogen 3.068 N/A CYS 56.A N GLU 90.A OE1 no hydrogen 2.957 N/A CYS 56.A SG ALA 86.A O no hydrogen 3.743 N/A LEU 60.A N VAL 57.A O no hydrogen 3.075 N/A ASP 62.A N ARG 68.A O no hydrogen 2.755 N/A LYS 63.A NZ GLY 12.A O no hydrogen 2.801 N/A SER 64.A N ASP 62.A OD1 no hydrogen 3.237 N/A SER 64.A OG ASP 62.A OD1 no hydrogen 2.685 N/A SER 64.A OG ASP 62.A OD2 no hydrogen 3.383 N/A GLY 67.A N SER 64.A O no hydrogen 3.398 N/A ARG 68.A N ASP 62.A O no hydrogen 2.777 N/A ARG 68.A NH1 SER 64.A O no hydrogen 2.809 N/A ARG 68.A NH2 ASP 62.A OD2 no hydrogen 2.941 N/A ARG 68.A NH2 SER 64.A O no hydrogen 2.712 N/A ARG 68.A NH2 SER 64.A OG no hydrogen 3.217 N/A SER 69.A OG ASP 149.A OD2 no hydrogen 2.706 N/A ASN 70.A N LEU 60.A O no hydrogen 2.911 N/A ASN 70.A ND2 GLU 59.A O no hydrogen 2.740 N/A ASP 74.A N ILE 71.A O no hydrogen 3.271 N/A LYS 76.A NZ GLU 77.A OE2 no hydrogen 3.276 N/A LYS 76.A NZ GLY 157.A O no hydrogen 2.917 N/A LEU 78.A N THR 75.A OG1 no hydrogen 3.397 N/A LEU 79.A N THR 75.A O no hydrogen 2.982 N/A LYS 80.A N LYS 76.A O no hydrogen 3.001 N/A LYS 80.A NZ GLU 176.A OE1 no hydrogen 3.229 N/A LYS 80.A NZ GLU 176.A OE2 no hydrogen 3.216 N/A GLU 81.A N GLU 77.A O no hydrogen 3.002 N/A LYS 82.A N LEU 78.A O no hydrogen 2.925 N/A LYS 82.A NZ ASN 70.A O no hydrogen 2.699 N/A LYS 82.A NZ ASP 74.A OD1 no hydrogen 3.451 N/A LYS 82.A NZ ASP 74.A OD2 no hydrogen 2.751 N/A ILE 83.A N LEU 79.A O no hydrogen 2.934 N/A LYS 84.A N LYS 80.A O no hydrogen 2.962 N/A LYS 84.A NZ GLU 176.A OE2 no hydrogen 3.341 N/A ASN 85.A N GLU 81.A O no hydrogen 3.005 N/A ALA 86.A N LYS 82.A O no hydrogen 3.173 N/A ILE 87.A N ILE 83.A O no hydrogen 2.795 N/A HIS 88.A N LYS 84.A O no hydrogen 2.904 N/A LYS 89.A N ASN 85.A O no hydrogen 2.914 N/A LYS 89.A NZ ILE 10.A O no hydrogen 3.378 N/A GLU 90.A N ALA 86.A O no hydrogen 2.812 N/A THR 91.A N ILE 87.A O no hydrogen 3.105 N/A THR 91.A OG1 ILE 87.A O no hydrogen 2.797 N/A GLU 92.A N HIS 88.A O no hydrogen 3.285 N/A LEU 93.A N LYS 89.A O no hydrogen 2.989 N/A LEU 94.A N GLU 90.A O no hydrogen 2.867 N/A TYR 95.A N THR 91.A O no hydrogen 2.971 N/A GLU 96.A N GLU 92.A O no hydrogen 3.135 N/A TYR 97.A N LEU 93.A O no hydrogen 3.005 N/A TYR 97.A OH GLY 20.A O no hydrogen 2.577 N/A HIS 98.A N LEU 94.A O no hydrogen 3.054 N/A HIS 98.A ND1 LEU 94.A O no hydrogen 2.726 N/A ASP 99.A N TYR 95.A O no hydrogen 2.783 N/A THR 100.A N GLU 96.A O no hydrogen 3.071 N/A THR 100.A OG1 GLU 96.A O no hydrogen 2.929 N/A THR 100.A OG1 TYR 97.A O no hydrogen 3.551 N/A THR 100.A OG1 THR 102.A OG1 no hydrogen 2.760 N/A GLY 101.A N HIS 98.A O no hydrogen 3.308 N/A THR 102.A N TYR 97.A O no hydrogen 3.197 N/A THR 102.A OG1 THR 100.A OG1 no hydrogen 2.760 N/A ALA 103.A N TYR 97.A O no hydrogen 3.038 N/A ILE 104.A N ASP 19.A OD2 no hydrogen 2.997 N/A SER 106.A N ALA 103.A O no hydrogen 2.899 N/A SER 106.A OG HIS 98.A O no hydrogen 3.566 N/A SER 106.A OG ALA 103.A O no hydrogen 2.662 N/A LYS 107.A N ILE 104.A O no hydrogen 3.188 N/A LYS 115.A NZ GLU 296.A OE2 no hydrogen 2.739 N/A PHE 117.A N PRO 114.A O no hydrogen 3.098 N/A HIS 119.A ND1 GLU 220.A OE1 no hydrogen 3.120 N/A HIS 119.A ND1 GLU 220.A OE2 no hydrogen 2.769 N/A ALA 120.A N GLY 116.A O no hydrogen 3.008 N/A VAL 121.A N PHE 117.A O no hydrogen 2.983 N/A GLN 122.A N CYS 118.A O no hydrogen 2.864 N/A GLN 122.A NE2 CYS 202.A O no hydrogen 3.067 N/A ARG 123.A N HIS 119.A O no hydrogen 2.932 N/A ARG 123.A NH1 GLU 220.A OE1 no hydrogen 2.781 N/A ARG 123.A NH2 GLU 220.A OE1 no hydrogen 2.829 N/A ARG 123.A NH2 TYR 294.A OH no hydrogen 2.766 N/A SER 124.A N ALA 120.A O no hydrogen 2.957 N/A SER 124.A OG GLU 90.A OE2 no hydrogen 2.647 N/A SER 124.A OG ALA 120.A O no hydrogen 3.464 N/A PHE 125.A N VAL 121.A O no hydrogen 3.046 N/A ILE 126.A N GLN 122.A O no hydrogen 3.040 N/A ASP 127.A N ARG 123.A O no hydrogen 3.016 N/A TYR 128.A N SER 124.A O no hydrogen 2.889 N/A TYR 128.A OH CYS 56.A O no hydrogen 2.427 N/A LYS 129.A N PHE 125.A O no hydrogen 2.979 N/A ASN 130.A N ILE 126.A O no hydrogen 2.995 N/A ASN 130.A ND2 THR 135.A OG1 no hydrogen 2.719 N/A MET 131.A N ASP 127.A O no hydrogen 2.869 N/A ILE 132.A N TYR 128.A O no hydrogen 2.970 N/A LEU 133.A N LYS 129.A O no hydrogen 2.905 N/A THR 135.A N ASN 130.A O no hydrogen 2.944 N/A SER 136.A OG ASN 130.A O no hydrogen 3.406 N/A GLY 144.A N TYR 140.A O no hydrogen 3.194 N/A LYS 145.A N GLU 141.A O no hydrogen 3.206 N/A LEU 146.A N HIS 142.A O no hydrogen 3.324 N/A GLN 147.A N ILE 143.A O no hydrogen 2.815 N/A GLN 147.A NE2 ASN 130.A O no hydrogen 3.615 N/A GLN 147.A NE2 SER 136.A OG no hydrogen 3.331 N/A GLU 148.A N GLY 144.A O no hydrogen 3.182 N/A ASP 149.A N LYS 145.A O no hydrogen 3.002 N/A ILE 150.A N LEU 146.A O no hydrogen 2.973 N/A LYS 151.A N GLN 147.A O no hydrogen 2.943 N/A LYS 151.A NZ GLU 155.A OE1 no hydrogen 3.504 N/A LYS 151.A NZ GLU 155.A OE2 no hydrogen 2.692 N/A LYS 152.A N GLU 148.A O no hydrogen 3.271 N/A ILE 153.A N ASP 149.A O no hydrogen 2.810 N/A ILE 154.A N ILE 150.A O no hydrogen 3.050 N/A GLU 155.A N LYS 151.A O no hydrogen 3.128 N/A LYS 156.A N LYS 152.A O no hydrogen 3.144 N/A GLY 157.A N ILE 153.A O no hydrogen 3.022 N/A THR 158.A OG1 ILE 154.A O no hydrogen 2.613 N/A GLN 161.A NE2 GLU 164.A OE1 no hydrogen 3.063 N/A SER 162.A OG GLN 161.A OE1 no hydrogen 2.759 N/A ASN 165.A N SER 162.A O no hydrogen 3.128 N/A ASN 165.A ND2 THR 158.A OG1 no hydrogen 2.966 N/A ASN 165.A ND2 PRO 159.A O no hydrogen 2.834 N/A ASN 167.A N THR 163.A O no hydrogen 3.210 N/A ALA 168.A N GLU 164.A O no hydrogen 3.155 N/A TRP 169.A N ASN 165.A O no hydrogen 2.757 N/A TRP 170.A N VAL 166.A O no hydrogen 3.059 N/A LYS 171.A N ASN 167.A O no hydrogen 3.249 N/A GLY 172.A N ALA 168.A O no hydrogen 2.994 N/A ILE 173.A N TRP 169.A O no hydrogen 3.125 N/A ILE 173.A N TRP 170.A O no hydrogen 3.052 N/A ARG 175.A NH1 SER 205.A OG no hydrogen 2.663 N/A MET 177.A N ILE 173.A O no hydrogen 2.944 N/A TRP 178.A N GLU 174.A O no hydrogen 3.004 N/A TRP 178.A NE1 GLY 203.A O no hydrogen 3.115 N/A ASP 179.A N ARG 175.A O no hydrogen 2.958 N/A ALA 180.A N GLU 176.A O no hydrogen 3.218 N/A ALA 180.A N MET 177.A O no hydrogen 3.179 N/A ARG 182.A N TRP 178.A O no hydrogen 3.090 N/A ARG 182.A NE ASP 179.A OD1 no hydrogen 3.115 N/A ARG 182.A NH1 ASP 200.A OD1 no hydrogen 2.591 N/A ARG 182.A NH2 ASP 179.A OD1 no hydrogen 3.049 N/A CYS 183.A N ASP 179.A O no hydrogen 2.824 N/A CYS 183.A SG ASP 3.A OD2 no hydrogen 3.627 N/A CYS 183.A SG HIS 88.A NE2 no hydrogen 3.865 N/A ALA 184.A N ALA 180.A O no hydrogen 3.143 N/A ILE 185.A N VAL 181.A O no hydrogen 3.040 N/A THR 186.A N ARG 182.A O no hydrogen 2.968 N/A THR 186.A OG1 ARG 182.A O no hydrogen 3.294 N/A LYS 187.A N CYS 183.A O no hydrogen 3.164 N/A LYS 187.A NZ ASP 3.A OD1 no hydrogen 3.021 N/A LYS 187.A NZ ALA 6.A O no hydrogen 3.435 N/A ILE 188.A N ILE 185.A O no hydrogen 3.034 N/A ASN 189.A N THR 186.A O no hydrogen 3.174 N/A LYS 190.A N LYS 187.A O no hydrogen 3.379 N/A ASN 192.A ND2 TYR 95.A OH no hydrogen 2.669 N/A ASN 194.A N ASN 192.A OD1 no hydrogen 2.755 N/A ASN 198.A N GLU 201.A OE2 no hydrogen 3.198 N/A GLY 199.A N GLU 201.A OE1 no hydrogen 3.020 N/A ASP 200.A N ASN 198.A OD1 no hydrogen 2.943 N/A GLY 203.A N ASP 200.A O no hydrogen 2.839 N/A GLN 210.A NE2 ASP 127.A OD1 no hydrogen 2.882 N/A SER 211.A N ASP 209.A OD1 no hydrogen 3.235 N/A SER 211.A OG ASP 209.A OD1 no hydrogen 2.863 N/A SER 213.A N ASP 209.A O no hydrogen 2.977 N/A TRP 214.A N GLN 210.A O no hydrogen 2.737 N/A TRP 214.A NE1 ASP 127.A OD1 no hydrogen 2.920 N/A PHE 215.A N SER 211.A O no hydrogen 3.186 N/A LYS 216.A N VAL 212.A O no hydrogen 2.848 N/A GLU 217.A N SER 213.A O no hydrogen 3.162 N/A TRP 218.A N TRP 214.A O no hydrogen 3.003 N/A TRP 218.A NE1 GLU 269.A OE1 no hydrogen 2.820 N/A GLY 219.A N PHE 215.A O no hydrogen 2.953 N/A GLU 220.A N LYS 216.A O no hydrogen 2.923 N/A GLN 221.A N GLU 217.A O no hydrogen 3.034 N/A GLN 221.A NE2 GLU 225.A OE1 no hydrogen 3.186 N/A PHE 222.A N TRP 218.A O no hydrogen 2.821 N/A CYS 223.A N GLY 219.A O no hydrogen 2.919 N/A CYS 223.A SG GLY 219.A O no hydrogen 3.248 N/A ILE 224.A N GLU 220.A O no hydrogen 3.149 N/A GLU 225.A N GLN 221.A O no hydrogen 3.011 N/A ARG 226.A N PHE 222.A O no hydrogen 2.830 N/A ARG 226.A NE TYR 259.A OH no hydrogen 3.391 N/A ARG 226.A NE ASP 320.A OD2 no hydrogen 2.890 N/A ARG 226.A NH1 SER 299.A OG no hydrogen 2.954 N/A ARG 226.A NH2 ASP 320.A OD2 no hydrogen 2.495 N/A LEU 227.A N CYS 223.A O no hydrogen 3.063 N/A ARG 228.A N ILE 224.A O no hydrogen 3.091 N/A TYR 229.A N GLU 225.A O no hydrogen 2.966 N/A GLU 230.A N ARG 226.A O no hydrogen 3.057 N/A GLN 231.A N LEU 227.A O no hydrogen 2.903 N/A ASN 232.A N ARG 228.A O no hydrogen 3.045 N/A ILE 233.A N TYR 229.A O no hydrogen 2.927 N/A ARG 234.A N GLU 230.A O no hydrogen 2.832 N/A ARG 234.A NE GLU 230.A OE2 no hydrogen 3.046 N/A ARG 234.A NH2 GLU 230.A OE2 no hydrogen 2.789 N/A GLU 235.A N GLN 231.A O no hydrogen 3.017 N/A ALA 236.A N ASN 232.A O no hydrogen 3.207 N/A ALA 236.A N ILE 233.A O no hydrogen 3.173 N/A CYS 237.A N ILE 233.A O no hydrogen 2.758 N/A CYS 237.A SG ILE 233.A O no hydrogen 3.220 N/A THR 238.A OG1 CYS 237.A O no hydrogen 3.032 N/A LYS 240.A NZ GLU 328.A OE1 no hydrogen 3.148 N/A CYS 242.A SG LYS 240.A O no hydrogen 4.035 N/A ILE 243.A N LYS 247.A O no hydrogen 3.260 N/A LYS 247.A N ILE 243.A O no hydrogen 2.983 N/A LYS 253.A N GLN 249.A O no hydrogen 3.471 N/A ARG 254.A N GLY 250.A O no hydrogen 3.003 N/A LYS 255.A N ALA 251.A O no hydrogen 3.044 N/A CYS 256.A N CYS 252.A O no hydrogen 3.003 N/A CYS 256.A SG CYS 252.A O no hydrogen 3.063 N/A GLU 257.A N LYS 253.A O no hydrogen 2.819 N/A LYS 258.A N ARG 254.A O no hydrogen 2.964 N/A TYR 259.A N LYS 255.A O no hydrogen 3.383 N/A TYR 259.A OH ASP 320.A OD1 no hydrogen 2.748 N/A LYS 260.A N CYS 256.A O no hydrogen 3.110 N/A LYS 260.A NZ PRO 317.A O no hydrogen 2.660 N/A LYS 261.A N GLU 257.A O no hydrogen 3.019 N/A LYS 261.A NZ GLU 265.A OE2 no hydrogen 2.705 N/A TYR 262.A N LYS 258.A O no hydrogen 2.909 N/A TYR 262.A OH GLU 225.A OE1 no hydrogen 2.800 N/A ILE 263.A N TYR 259.A O no hydrogen 2.821 N/A SER 264.A N LYS 260.A O no hydrogen 3.121 N/A SER 264.A OG LYS 261.A O no hydrogen 2.699 N/A GLU 265.A N LYS 261.A O no hydrogen 3.215 N/A GLU 265.A N TYR 262.A O no hydrogen 3.209 N/A LYS 266.A N TYR 262.A O no hydrogen 3.055 N/A LYS 266.A NZ GLU 269.A OE1 no hydrogen 2.709 N/A LYS 267.A NZ ASP 271.A OD1 no hydrogen 2.891 N/A LYS 267.A NZ ASP 271.A OD2 no hydrogen 3.309 N/A LYS 267.A NZ PHE 306.A O no hydrogen 2.722 N/A TRP 270.A N LYS 266.A O no hydrogen 3.023 N/A ASP 271.A N LYS 267.A O no hydrogen 3.046 N/A LYS 272.A N GLN 268.A O no hydrogen 3.141 N/A GLN 273.A N GLU 269.A O no hydrogen 3.212 N/A GLN 273.A NE2 GLU 269.A O no hydrogen 2.874 N/A LYS 274.A N TRP 270.A O no hydrogen 2.762 N/A LYS 274.A NZ GLU 278.A OE1 no hydrogen 2.701 N/A THR 275.A N ASP 271.A O no hydrogen 3.096 N/A THR 275.A OG1 ASP 271.A O no hydrogen 2.687 N/A LYS 276.A N LYS 272.A O no hydrogen 3.173 N/A LYS 276.A NZ HIS 40.A O no hydrogen 2.783 N/A LYS 276.A NZ ASN 44.A O no hydrogen 3.132 N/A LYS 276.A NZ GLY 45.A O no hydrogen 2.827 N/A TYR 277.A N GLN 273.A O no hydrogen 2.893 N/A GLU 278.A N LYS 274.A O no hydrogen 2.816 N/A ASN 279.A N THR 275.A O no hydrogen 3.122 N/A LYS 280.A N TYR 277.A O no hydrogen 3.261 N/A LYS 280.A NZ ASP 42.A OD2 no hydrogen 3.181 N/A TYR 281.A N TYR 277.A O no hydrogen 2.804 N/A TYR 281.A OH ASP 209.A OD2 no hydrogen 2.722 N/A LYS 284.A N TYR 281.A O no hydrogen 3.049 N/A ALA 286.A N GLU 278.A OE2 no hydrogen 2.718 N/A ASP 288.A N SER 285.A OG no hydrogen 3.239 N/A LEU 289.A N SER 285.A O no hydrogen 3.189 N/A LYS 291.A N SER 287.A O no hydrogen 3.147 N/A LYS 291.A NZ ILE 298.A O no hydrogen 3.304 N/A LYS 291.A NZ ALA 300.A O no hydrogen 2.568 N/A GLU 292.A N ASP 288.A O no hydrogen 2.916 N/A ASN 293.A N LEU 290.A O no hydrogen 3.190 N/A ASN 293.A ND2 LEU 289.A O no hydrogen 2.551 N/A TYR 294.A N LEU 290.A O no hydrogen 2.939 N/A GLU 296.A N GLU 296.A OE1 no hydrogen 2.869 N/A CYS 297.A N TYR 294.A O no hydrogen 3.053 N/A CYS 297.A SG GLY 219.A O no hydrogen 3.560 N/A ILE 298.A N PRO 295.A O no hydrogen 3.337 N/A ALA 300.A N CYS 297.A O no hydrogen 2.996 N/A PHE 304.A N ASN 301.A OD1 no hydrogen 3.064 N/A ILE 305.A N ASN 301.A O no hydrogen 2.812 N/A PHE 306.A N PHE 302.A O no hydrogen 3.123 N/A ASN 307.A N PHE 304.A O no hydrogen 3.245 N/A ASN 307.A ND2 ASP 303.A O no hydrogen 3.470 N/A ASN 309.A N ASN 307.A OD1 no hydrogen 2.849 N/A THR 314.A N GLU 311.A O no hydrogen 3.222 N/A THR 314.A OG1 GLU 311.A O no hydrogen 2.868 N/A TYR 315.A N GLU 311.A O no hydrogen 3.056 N/A TYR 316.A N TYR 312.A O no hydrogen 2.927 N/A TYR 318.A N SER 322.A OG no hydrogen 3.111 N/A GLY 319.A N TYR 316.A O no hydrogen 3.199 N/A TYR 321.A N TYR 318.A O no hydrogen 3.245 N/A TYR 321.A OH GLU 230.A OE1 no hydrogen 2.853 N/A SER 322.A N GLY 319.A O no hydrogen 3.236 N/A SER 322.A OG GLY 319.A O no hydrogen 2.714 N/A CYS 325.A N TYR 321.A O no hydrogen 3.039 N/A CYS 325.A SG TYR 321.A O no hydrogen 3.375 N/A SER 326.A OG SER 323.A O no hydrogen 2.736 N/A