Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3ngq_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 4.A NH1 GLY 299.A O no hydrogen 3.205 N/A ARG 4.A NH1 SER 325.A O no hydrogen 3.211 N/A ARG 4.A NH2 SER 325.A O no hydrogen 3.004 N/A ILE 7.A N VAL 297.A O no hydrogen 2.826 N/A LEU 9.A N GLU 295.A O no hydrogen 2.591 N/A LYS 10.A N GLU 295.A O no hydrogen 3.261 N/A LYS 10.A NZ GLU 11.A O no hydrogen 2.972 N/A LYS 10.A NZ GLU 331.A OE1 no hydrogen 3.119 N/A ARG 12.A NE GLU 331.A OE2 no hydrogen 3.394 N/A ARG 12.A NH2 SER 16.A OG no hydrogen 3.128 N/A ASP 13.A N GLU 331.A OE2 no hydrogen 2.712 N/A ALA 17.A N LEU 332.A O no hydrogen 2.824 N/A SER 18.A OG GLU 295.A OE2 no hydrogen 3.019 N/A PHE 19.A N LEU 330.A O no hydrogen 2.868 N/A THR 20.A N ASP 64.A OD2 no hydrogen 2.984 N/A THR 20.A OG1 ASP 64.A OD2 no hydrogen 3.040 N/A VAL 21.A N THR 328.A O no hydrogen 2.805 N/A MET 22.A N ILE 65.A O no hydrogen 2.701 N/A CYS 23.A N LEU 326.A O no hydrogen 3.013 N/A CYS 23.A SG TYR 284.A O no hydrogen 3.763 N/A TYR 24.A N SER 67.A O no hydrogen 2.868 N/A ASN 25.A ND2 GLU 70.A OE2 no hydrogen 3.068 N/A ASN 25.A ND2 ASP 216.A OD2 no hydrogen 2.800 N/A VAL 26.A N GLN 69.A O no hydrogen 3.208 N/A LEU 27.A N ASN 25.A OD1 no hydrogen 3.011 N/A CYS 28.A N GLU 70.A OE1 no hydrogen 2.931 N/A CYS 28.A SG GLU 70.A OE1 no hydrogen 3.494 N/A LYS 30.A N GLU 72.A OE2 no hydrogen 3.106 N/A TYR 31.A N CYS 28.A O no hydrogen 3.175 N/A ALA 32.A N CYS 28.A O no hydrogen 3.230 N/A ALA 32.A N ASP 29.A O no hydrogen 3.102 N/A ARG 34.A NH1 CYS 40.A O no hydrogen 2.574 N/A LEU 36.A N THR 33.A OG1 no hydrogen 2.981 N/A TYR 37.A N THR 33.A O no hydrogen 2.724 N/A TYR 37.A OH ASP 322.A OD1 no hydrogen 2.757 N/A TYR 39.A OH CYS 314.A O no hydrogen 2.422 N/A CYS 40.A N TYR 37.A O no hydrogen 3.182 N/A CYS 40.A SG PRO 41.A O no hydrogen 3.769 N/A CYS 40.A SG PRO 315.A O no hydrogen 3.373 N/A ALA 44.A N PRO 41.A O no hydrogen 2.928 N/A LEU 45.A N PRO 41.A O no hydrogen 3.102 N/A LEU 45.A N SER 42.A O no hydrogen 3.237 N/A ASN 46.A N SER 42.A O no hydrogen 3.008 N/A GLU 48.A N ASN 46.A OD1 no hydrogen 2.744 N/A TYR 49.A OH PRO 317.A O no hydrogen 2.432 N/A ARG 50.A N ASN 46.A O no hydrogen 2.864 N/A ARG 50.A NE LEU 45.A O no hydrogen 3.069 N/A ARG 50.A NH1 VAL 26.A O no hydrogen 3.028 N/A ARG 50.A NH1 LEU 27.A O no hydrogen 3.042 N/A ARG 50.A NH1 PRO 320.A O no hydrogen 2.737 N/A ARG 50.A NH2 LEU 27.A O no hydrogen 2.656 N/A LYS 51.A N TRP 47.A O no hydrogen 2.902 N/A LYS 51.A NZ GLU 48.A OE1 no hydrogen 3.233 N/A LYS 52.A N TYR 49.A O no hydrogen 3.211 N/A ILE 54.A N ARG 50.A O no hydrogen 3.102 N/A MET 55.A N LYS 51.A O no hydrogen 2.937 N/A GLU 56.A N LYS 52.A O no hydrogen 2.912 N/A GLU 57.A N GLY 53.A O no hydrogen 2.954 N/A ILE 58.A N ILE 54.A O no hydrogen 3.003 N/A VAL 59.A N MET 55.A O no hydrogen 2.874 N/A ASN 60.A N GLU 56.A O no hydrogen 2.879 N/A CYS 61.A N GLU 57.A O no hydrogen 3.109 N/A CYS 61.A SG GLU 57.A O no hydrogen 3.457 N/A CYS 61.A SG GLU 57.A OE2 no hydrogen 3.579 N/A ASP 62.A N ILE 58.A O no hydrogen 3.178 N/A ASP 64.A N THR 20.A OG1 no hydrogen 2.908 N/A ILE 65.A N THR 20.A O no hydrogen 3.083 N/A ILE 66.A N PHE 116.A O no hydrogen 2.711 N/A SER 67.A N MET 22.A O no hydrogen 2.701 N/A LEU 68.A N ALA 114.A O no hydrogen 2.974 N/A GLN 69.A N TYR 24.A O no hydrogen 3.172 N/A GLN 69.A NE2 ASN 177.A OD1 no hydrogen 2.888 N/A VAL 71.A N GLY 112.A O no hydrogen 3.115 N/A THR 73.A N VAL 110.A O no hydrogen 2.780 N/A THR 73.A OG1 VAL 110.A O no hydrogen 2.775 N/A GLU 74.A N LYS 108.A O no hydrogen 2.934 N/A TYR 76.A N GLU 72.A O no hydrogen 2.904 N/A PHE 77.A N THR 73.A O no hydrogen 3.386 N/A THR 78.A N GLU 74.A O no hydrogen 2.983 N/A THR 78.A OG1 GLU 74.A O no hydrogen 2.877 N/A LEU 79.A N GLN 75.A O no hydrogen 2.883 N/A PHE 80.A N GLN 75.A O no hydrogen 2.925 N/A LEU 81.A N TYR 76.A O no hydrogen 2.907 N/A ALA 83.A N LEU 79.A O no hydrogen 3.077 N/A LEU 84.A N PHE 80.A O no hydrogen 2.961 N/A LYS 85.A N LEU 81.A O no hydrogen 2.817 N/A GLU 86.A N PRO 82.A O no hydrogen 3.307 N/A ARG 87.A N LEU 84.A O no hydrogen 3.128 N/A ARG 87.A NH2 ASP 62.A OD1 no hydrogen 2.813 N/A GLY 88.A N LYS 85.A O no hydrogen 2.717 N/A TYR 89.A N LEU 84.A O no hydrogen 2.987 N/A TYR 89.A OH ALA 63.A O no hydrogen 2.291 N/A ASP 90.A N PHE 117.A O no hydrogen 2.819 N/A GLY 91.A N ASP 90.A OD1 no hydrogen 2.482 N/A PHE 92.A N ILE 115.A O no hydrogen 2.845 N/A SER 94.A N CYS 113.A O no hydrogen 3.128 N/A SER 94.A OG PRO 95.A O no hydrogen 3.554 N/A SER 94.A OG THR 129.A OG1 no hydrogen 3.303 N/A LYS 96.A N ASP 111.A O no hydrogen 3.028 N/A LYS 96.A NZ ASP 111.A OD2 no hydrogen 3.499 N/A SER 97.A OG ASP 154.A OD2 no hydrogen 2.438 N/A LYS 100.A N SER 97.A O no hydrogen 3.122 N/A SER 103.A N GLU 106.A OE2 no hydrogen 3.152 N/A SER 103.A OG GLU 106.A OE2 no hydrogen 3.310 N/A GLU 106.A N SER 103.A OG no hydrogen 3.029 N/A ARG 107.A N SER 103.A O no hydrogen 2.887 N/A ARG 107.A NH1 SER 97.A O no hydrogen 2.761 N/A ARG 107.A NH1 LYS 100.A O no hydrogen 3.460 N/A ARG 107.A NH2 LYS 100.A O no hydrogen 2.816 N/A LYS 108.A N GLN 105.A O no hydrogen 3.195 N/A HIS 109.A N GLU 106.A O no hydrogen 3.040 N/A HIS 109.A ND1 GLU 72.A OE1 no hydrogen 3.090 N/A VAL 110.A N ARG 107.A O no hydrogen 3.463 N/A GLY 112.A N VAL 71.A O no hydrogen 2.720 N/A CYS 113.A N SER 94.A O no hydrogen 3.131 N/A CYS 113.A SG ASN 177.A O no hydrogen 3.959 N/A ALA 114.A N LEU 68.A O no hydrogen 2.948 N/A ILE 115.A N PHE 92.A O no hydrogen 2.842 N/A PHE 116.A N ILE 66.A O no hydrogen 2.707 N/A PHE 117.A N ASP 90.A O no hydrogen 2.944 N/A LYS 118.A N ASP 64.A O no hydrogen 2.870 N/A LYS 118.A NZ ASP 62.A O no hydrogen 3.110 N/A LYS 118.A NZ ASP 62.A OD1 no hydrogen 3.218 N/A LYS 118.A NZ ASP 62.A OD2 no hydrogen 3.294 N/A THR 119.A N GLY 88.A O no hydrogen 2.951 N/A THR 119.A OG1 GLY 88.A O no hydrogen 3.177 N/A LYS 121.A N LYS 118.A O no hydrogen 3.036 N/A LYS 121.A NZ ASP 64.A OD1 no hydrogen 2.733 N/A THR 123.A N GLU 163.A O no hydrogen 2.890 N/A THR 123.A OG1 HIS 165.A NE2 no hydrogen 2.544 N/A VAL 125.A N VAL 161.A O no hydrogen 2.565 N/A GLN 126.A N VAL 161.A O no hydrogen 3.332 N/A HIS 128.A N ALA 159.A O no hydrogen 2.815 N/A THR 129.A OG1 SER 94.A OG no hydrogen 3.303 N/A VAL 130.A N GLY 157.A O no hydrogen 2.812 N/A PHE 132.A N ASN 155.A O no hydrogen 3.136 N/A GLN 134.A N ASN 133.A OD1 no hydrogen 2.705 N/A VAL 135.A N GLU 131.A O no hydrogen 3.130 N/A ALA 136.A N PHE 132.A O no hydrogen 2.844 N/A MET 137.A N ASN 133.A O no hydrogen 2.920 N/A ALA 138.A N GLN 134.A O no hydrogen 2.955 N/A ASN 139.A N ALA 136.A O no hydrogen 2.940 N/A SER 140.A N MET 137.A O no hydrogen 3.356 N/A SER 140.A OG MET 137.A O no hydrogen 2.911 N/A SER 143.A N SER 140.A O no hydrogen 2.570 N/A MET 146.A N SER 143.A OG no hydrogen 3.129 N/A ASN 148.A N GLU 144.A O no hydrogen 2.644 N/A ARG 149.A N ALA 145.A O no hydrogen 2.789 N/A ARG 149.A NE ASP 188.A OD2 no hydrogen 2.849 N/A ARG 149.A NH2 GLU 185.A O no hydrogen 3.499 N/A ARG 149.A NH2 ASP 188.A OD1 no hydrogen 2.861 N/A ARG 149.A NH2 ASP 188.A OD2 no hydrogen 3.369 N/A VAL 150.A N ALA 145.A O no hydrogen 3.365 N/A VAL 150.A N MET 146.A O no hydrogen 3.222 N/A MET 151.A N MET 146.A O no hydrogen 2.916 N/A THR 152.A OG1 ASN 148.A O no hydrogen 2.777 N/A THR 152.A OG1 ARG 149.A O no hydrogen 3.418 N/A LYS 153.A N VAL 150.A O no hydrogen 3.055 N/A LYS 153.A NZ ARG 149.A O no hydrogen 2.781 N/A LYS 153.A NZ THR 152.A OG1 no hydrogen 2.830 N/A ASN 155.A ND2 HIS 179.A O no hydrogen 3.534 N/A GLY 157.A N VAL 130.A O no hydrogen 3.019 N/A VAL 158.A N ASN 177.A O no hydrogen 2.790 N/A ALA 159.A N HIS 128.A O no hydrogen 2.886 N/A VAL 160.A N VAL 175.A O no hydrogen 2.902 N/A VAL 161.A N GLN 126.A O no hydrogen 2.587 N/A LEU 162.A N LEU 173.A O no hydrogen 2.693 N/A GLU 163.A N THR 123.A O no hydrogen 2.597 N/A VAL 164.A N GLN 171.A O no hydrogen 2.873 N/A HIS 165.A N LYS 121.A O no hydrogen 3.090 N/A HIS 165.A ND1 GLU 120.A O no hydrogen 3.043 N/A HIS 165.A NE2 THR 123.A OG1 no hydrogen 2.544 N/A LEU 168.A N HIS 165.A O no hydrogen 3.009 N/A PHE 169.A N LYS 166.A O no hydrogen 2.888 N/A GLN 171.A NE2 LEU 172.A O no hydrogen 3.102 N/A LEU 173.A N LEU 162.A O no hydrogen 2.642 N/A ILE 174.A N PRO 210.A O no hydrogen 2.982 N/A VAL 175.A N VAL 160.A O no hydrogen 3.101 N/A ALA 176.A N VAL 212.A O no hydrogen 2.868 N/A ASN 177.A N VAL 158.A O no hydrogen 2.932 N/A ASN 177.A ND2 LEU 68.A O no hydrogen 2.887 N/A ASN 177.A ND2 ALA 114.A O no hydrogen 2.873 N/A ALA 178.A N CYS 214.A O no hydrogen 3.051 N/A HIS 179.A N ILE 156.A O no hydrogen 3.289 N/A MET 180.A N ASP 216.A O no hydrogen 3.085 N/A HIS 181.A N GLN 193.A OE1 no hydrogen 2.853 N/A GLU 185.A N ASP 183.A OD2 no hydrogen 2.853 N/A TYR 186.A N ASP 183.A O no hydrogen 2.846 N/A SER 187.A OG ASP 240.A O no hydrogen 2.834 N/A LYS 190.A N TYR 186.A O no hydrogen 3.064 N/A LYS 190.A NZ TRP 182.A O no hydrogen 3.107 N/A LYS 190.A NZ ASP 183.A O no hydrogen 3.160 N/A LYS 190.A NZ ASN 218.A O no hydrogen 2.905 N/A LEU 191.A N SER 187.A O no hydrogen 2.953 N/A ILE 192.A N ASP 188.A O no hydrogen 2.952 N/A GLN 193.A N VAL 189.A O no hydrogen 2.740 N/A GLN 193.A NE2 ASN 155.A OD1 no hydrogen 2.912 N/A THR 194.A N LYS 190.A O no hydrogen 3.088 N/A THR 194.A OG1 LYS 190.A O no hydrogen 2.842 N/A MET 195.A N LEU 191.A O no hydrogen 2.857 N/A MET 196.A N ILE 192.A O no hydrogen 2.817 N/A PHE 197.A N GLN 193.A O no hydrogen 2.863 N/A VAL 198.A N THR 194.A O no hydrogen 2.936 N/A SER 199.A N MET 195.A O no hydrogen 3.000 N/A SER 199.A OG MET 195.A O no hydrogen 2.913 N/A SER 199.A OG MET 196.A O no hydrogen 3.521 N/A GLU 200.A N MET 196.A O no hydrogen 2.962 N/A VAL 201.A N PHE 197.A O no hydrogen 2.796 N/A LYS 202.A N VAL 198.A O no hydrogen 2.824 N/A ASN 203.A N SER 199.A O no hydrogen 3.063 N/A ILE 204.A N GLU 200.A O no hydrogen 3.183 N/A LEU 205.A N VAL 201.A O no hydrogen 2.867 N/A GLU 206.A N LYS 202.A O no hydrogen 3.371 N/A LEU 211.A N SER 288.A OG no hydrogen 2.553 N/A VAL 212.A N ILE 174.A O no hydrogen 2.897 N/A LEU 213.A N PHE 286.A O no hydrogen 2.731 N/A CYS 214.A N ALA 176.A O no hydrogen 2.662 N/A CYS 214.A SG SER 67.A OG no hydrogen 3.515 N/A ALA 215.A N TYR 284.A O no hydrogen 3.068 N/A ASP 216.A N ALA 178.A O no hydrogen 3.228 N/A LEU 217.A N ILE 282.A O no hydrogen 2.924 N/A ASN 218.A N ASP 216.A OD1 no hydrogen 3.106 N/A SER 219.A OG LEU 217.A O no hydrogen 2.734 N/A SER 223.A N LEU 220.A O no hydrogen 3.110 N/A SER 223.A OG LEU 220.A O no hydrogen 2.711 N/A GLY 224.A N ASP 240.A OD2 no hydrogen 2.718 N/A VAL 226.A N SER 223.A OG no hydrogen 3.194 N/A GLU 227.A N SER 223.A O no hydrogen 3.002 N/A TYR 228.A N GLY 224.A O no hydrogen 2.833 N/A LEU 229.A N VAL 225.A O no hydrogen 3.162 N/A SER 230.A N VAL 226.A O no hydrogen 2.927 N/A SER 230.A OG VAL 226.A O no hydrogen 2.914 N/A ASN 231.A N GLU 227.A O no hydrogen 2.817 N/A VAL 234.A N ILE 254.A O no hydrogen 2.987 N/A ASP 236.A N GLY 252.A O no hydrogen 2.744 N/A HIS 238.A N ALA 235.A O no hydrogen 3.062 N/A ASP 240.A N HIS 238.A ND1 no hydrogen 2.885 N/A PHE 241.A N HIS 238.A O no hydrogen 3.057 N/A LYS 242.A N LYS 239.A O no hydrogen 3.217 N/A MET 246.A N GLU 243.A O no hydrogen 3.296 N/A ASN 247.A N CYS 244.A O no hydrogen 3.095 N/A ASN 247.A ND2 ASP 141.A OD2 no hydrogen 2.799 N/A ASN 247.A ND2 CYS 244.A O no hydrogen 2.587 N/A PHE 248.A N LEU 245.A O no hydrogen 3.010 N/A SER 249.A N MET 246.A O no hydrogen 3.037 N/A CYS 250.A N THR 255.A O no hydrogen 2.793 N/A CYS 250.A SG PHE 248.A O no hydrogen 3.723 N/A ILE 254.A N VAL 234.A O no hydrogen 2.759 N/A THR 255.A N SER 249.A OG no hydrogen 3.050 N/A HIS 256.A N GLY 232.A O no hydrogen 2.875 N/A HIS 256.A NE2 TYR 228.A O no hydrogen 3.083 N/A PHE 258.A N HIS 256.A ND1 no hydrogen 3.052 N/A LYS 261.A N TYR 287.A O no hydrogen 3.053 N/A ALA 263.A N ILE 285.A O no hydrogen 2.762 N/A TYR 264.A N SER 262.A OG no hydrogen 3.249 N/A TYR 264.A OH LEU 298.A O no hydrogen 2.623 N/A TYR 264.A OH LEU 327.A O no hydrogen 3.102 N/A GLU 265.A N SER 262.A O no hydrogen 3.159 N/A THR 272.A N GLY 280.A O no hydrogen 2.808 N/A ASN 273.A N GLY 280.A O no hydrogen 2.987 N/A ASN 273.A ND2 ASP 322.A O no hydrogen 2.865 N/A ASN 273.A ND2 ASP 322.A OD1 no hydrogen 3.209 N/A TYR 274.A N ASP 322.A O no hydrogen 2.886 N/A TYR 274.A OH ILE 311.A O no hydrogen 2.632 N/A THR 275.A N PHE 278.A O no hydrogen 2.856 N/A THR 275.A OG1 PHE 278.A O no hydrogen 2.886 N/A PHE 278.A N THR 275.A OG1 no hydrogen 3.039 N/A LYS 279.A NZ THR 275.A O no hydrogen 2.721 N/A LYS 279.A NZ THR 312.A O no hydrogen 2.995 N/A GLY 280.A N ASN 273.A O no hydrogen 3.103 N/A TYR 284.A N ALA 215.A O no hydrogen 2.958 N/A TYR 284.A OH SER 219.A O no hydrogen 2.764 N/A PHE 286.A N LEU 213.A O no hydrogen 2.866 N/A TYR 287.A N LYS 261.A O no hydrogen 3.060 N/A SER 288.A N LEU 211.A O no hydrogen 3.074 N/A SER 288.A OG LEU 211.A O no hydrogen 3.261 N/A LYS 289.A N GLN 259.A O no hydrogen 2.813 N/A HIS 291.A N SER 288.A O no hydrogen 3.032 N/A HIS 291.A NE2 SER 208.A O no hydrogen 3.173 N/A MET 292.A N SER 288.A O no hydrogen 3.219 N/A ASN 293.A N GLU 331.A O no hydrogen 2.956 N/A ASN 293.A ND2 GLU 331.A OE1 no hydrogen 2.950 N/A GLU 295.A N GLN 329.A O no hydrogen 2.981 N/A VAL 297.A N ILE 7.A O no hydrogen 3.045 N/A LEU 298.A N LEU 327.A O no hydrogen 2.874 N/A GLY 299.A N PRO 5.A O no hydrogen 2.874 N/A GLN 304.A N ASP 302.A OD1 no hydrogen 2.950 N/A VAL 307.A N PRO 303.A O no hydrogen 3.085 N/A GLU 308.A N GLN 304.A O no hydrogen 2.713 N/A ASN 309.A N TRP 305.A O no hydrogen 3.015 N/A ASN 310.A N VAL 307.A O no hydrogen 3.009 N/A ILE 311.A N LEU 306.A O no hydrogen 2.859 N/A CYS 314.A N TYR 274.A O no hydrogen 2.947 N/A HIS 316.A N ILE 319.A O no hydrogen 2.778 N/A HIS 318.A N HIS 316.A ND1 no hydrogen 2.878 N/A ILE 319.A N HIS 316.A O no hydrogen 2.894 N/A SER 321.A OG ASN 25.A O no hydrogen 2.656 N/A SER 321.A OG HIS 323.A O no hydrogen 3.371 N/A HIS 323.A N SER 321.A OG no hydrogen 2.962 N/A HIS 323.A ND1 ASP 322.A OD2 no hydrogen 3.285 N/A PHE 324.A N THR 272.A O no hydrogen 2.985 N/A SER 325.A OG GLU 57.A OE2 no hydrogen 2.702 N/A LEU 326.A N CYS 23.A O no hydrogen 2.934 N/A LEU 327.A N TYR 264.A OH no hydrogen 3.020 N/A THR 328.A N VAL 21.A O no hydrogen 2.976 N/A THR 328.A OG1 GLY 296.A O no hydrogen 3.089 N/A GLN 329.A N GLY 296.A O no hydrogen 2.824 N/A GLN 329.A NE2 SER 18.A OG no hydrogen 2.683 N/A LEU 330.A N PHE 19.A O no hydrogen 2.582 N/A GLU 331.A N ASN 293.A O no hydrogen 2.837 N/A LEU 332.A N ALA 17.A O no hydrogen 2.685 N/A HIS 333.A N HIS 291.A O no hydrogen 2.838 N/A