Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2nqt_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 2.A N LEU 331.A O no hydrogen 2.947 N/A THR 5.A N ARG 34.A O no hydrogen 2.722 N/A LYS 6.A N ASP 77.A OD2 no hydrogen 2.816 N/A LYS 6.A NZ GLY 75.A O no hydrogen 3.421 N/A VAL 7.A N ARG 36.A O no hydrogen 2.765 N/A ALA 8.A N ALA 78.A O no hydrogen 2.903 N/A VAL 9.A N ALA 39.A O no hydrogen 2.975 N/A ALA 10.A N PHE 80.A O no hydrogen 2.835 N/A GLY 11.A N THR 41.A O no hydrogen 2.818 N/A ALA 12.A N THR 41.A O no hydrogen 2.778 N/A GLY 14.A N GLY 11.A O no hydrogen 3.377 N/A GLY 18.A N GLY 14.A O no hydrogen 3.021 N/A GLU 19.A N TYR 15.A O no hydrogen 2.997 N/A ILE 20.A N ALA 16.A O no hydrogen 2.899 N/A LEU 21.A N GLY 17.A O no hydrogen 3.065 N/A ARG 22.A N GLY 18.A O no hydrogen 2.919 N/A ARG 22.A NE GLU 19.A OE1 no hydrogen 2.964 N/A ARG 22.A NE GLU 19.A OE2 no hydrogen 3.211 N/A ARG 22.A NH2 GLU 19.A OE2 no hydrogen 2.817 N/A LEU 23.A N GLU 19.A O no hydrogen 2.978 N/A LEU 24.A N ILE 20.A O no hydrogen 2.831 N/A LEU 25.A N LEU 21.A O no hydrogen 2.960 N/A GLY 26.A N ARG 22.A O no hydrogen 3.321 N/A GLY 26.A N LEU 23.A O no hydrogen 3.196 N/A HIS 27.A N LEU 24.A O no hydrogen 3.102 N/A HIS 27.A NE2 ASN 328.A OD1 no hydrogen 2.826 N/A ALA 29.A N HIS 27.A ND1 no hydrogen 2.989 N/A TYR 30.A N HIS 27.A O no hydrogen 3.005 N/A ALA 31.A N HIS 27.A O no hydrogen 3.288 N/A ASP 32.A N PRO 28.A O no hydrogen 2.999 N/A GLY 33.A N TYR 30.A O no hydrogen 3.294 N/A ARG 34.A N ASP 32.A OD1 no hydrogen 3.269 N/A ARG 34.A NE ASP 32.A OD1 no hydrogen 2.911 N/A ARG 34.A NE ASP 32.A OD2 no hydrogen 3.028 N/A ARG 34.A NH1 ASP 32.A OD2 no hydrogen 2.802 N/A LEU 35.A N ALA 29.A O no hydrogen 2.842 N/A ARG 36.A N THR 5.A O no hydrogen 2.871 N/A ARG 36.A NE GLY 33.A O no hydrogen 2.862 N/A ARG 36.A NH2 GLY 33.A O no hydrogen 3.036 N/A GLY 38.A N VAL 7.A O no hydrogen 2.693 N/A ALA 39.A N HIS 76.A NE2 no hydrogen 2.964 N/A THR 41.A N VAL 9.A O no hydrogen 2.989 N/A THR 41.A OG1 THR 68.A OG1 no hydrogen 2.778 N/A ALA 42.A N GLU 66.A O no hydrogen 2.947 N/A SER 45.A OG THR 44.A O no hydrogen 2.366 N/A GLY 47.A N VAL 65.A O no hydrogen 2.837 N/A SER 48.A N SER 45.A O no hydrogen 2.974 N/A SER 48.A OG SER 45.A O no hydrogen 2.526 N/A SER 48.A OG HIS 53.A NE2 no hydrogen 2.788 N/A THR 49.A N GLU 52.A OE2 no hydrogen 2.836 N/A THR 49.A OG1 GLU 52.A OE2 no hydrogen 3.050 N/A LEU 50.A N ARG 63.A O no hydrogen 2.772 N/A GLY 51.A N ALA 61.A O no hydrogen 2.935 N/A GLU 52.A N THR 49.A O no hydrogen 3.101 N/A HIS 53.A N LEU 50.A O no hydrogen 2.909 N/A HIS 53.A NE2 SER 48.A OG no hydrogen 2.788 N/A HIS 54.A N LEU 50.A O no hydrogen 2.757 N/A HIS 54.A NE2 ALA 12.A O no hydrogen 2.816 N/A LEU 57.A N HIS 54.A O no hydrogen 2.967 N/A LEU 60.A N LEU 57.A O no hydrogen 2.954 N/A ALA 61.A N THR 58.A O no hydrogen 3.111 N/A ARG 63.A N LEU 60.A O no hydrogen 2.912 N/A ARG 63.A NH1 ILE 37.A O no hydrogen 3.394 N/A ARG 63.A NH1 GLY 38.A O no hydrogen 2.905 N/A ARG 63.A NH2 ILE 37.A O no hydrogen 2.755 N/A VAL 65.A N SER 48.A O no hydrogen 2.806 N/A GLU 66.A N LEU 40.A O no hydrogen 2.892 N/A THR 68.A N ALA 42.A O no hydrogen 3.224 N/A THR 68.A OG1 THR 41.A OG1 no hydrogen 2.778 N/A LEU 73.A N GLU 69.A O no hydrogen 3.186 N/A GLY 74.A N ALA 70.A O no hydrogen 2.898 N/A HIS 76.A ND1 LEU 73.A O no hydrogen 3.061 N/A HIS 76.A ND1 GLY 74.A O no hydrogen 3.055 N/A ASP 77.A N LYS 6.A O no hydrogen 2.756 N/A ALA 78.A N LYS 6.A O no hydrogen 3.241 N/A VAL 79.A N LEU 100.A O no hydrogen 2.831 N/A PHE 80.A N ALA 8.A O no hydrogen 2.917 N/A LEU 81.A N ILE 102.A O no hydrogen 2.795 N/A ALA 82.A N ALA 10.A O no hydrogen 2.720 N/A HIS 85.A NE2 GLY 184.A O no hydrogen 2.870 N/A GLY 86.A N LEU 83.A O no hydrogen 3.041 N/A HIS 87.A ND1 ASP 107.A OD1 no hydrogen 2.553 N/A SER 88.A OG.A ASP 103.A OD1 no hydrogen 2.873 N/A ALA 89.A N ASP 107.A OD2 no hydrogen 3.007 N/A ALA 92.A N SER 88.A O no hydrogen 2.808 N/A GLN 93.A N ALA 89.A O no hydrogen 3.105 N/A GLN 94.A N LEU 91.A O no hydrogen 2.873 N/A GLN 94.A NE2 VAL 90.A O no hydrogen 3.466 N/A LEU 95.A N ALA 92.A O no hydrogen 3.280 N/A SER 96.A OG GLU 98.A OE1 no hydrogen 2.528 N/A SER 96.A OG GLU 98.A OE2 no hydrogen 3.110 N/A GLU 98.A N GLU 98.A OE1 no hydrogen 2.762 N/A THR 99.A N SER 96.A O no hydrogen 3.042 N/A THR 99.A OG1 SER 96.A O no hydrogen 2.766 N/A LEU 100.A N ASP 77.A O no hydrogen 2.927 N/A ILE 101.A N ARG 146.A O no hydrogen 2.908 N/A ILE 102.A N VAL 79.A O no hydrogen 2.916 N/A ASP 103.A N ILE 148.A O no hydrogen 2.869 N/A CYS 104.A N LEU 81.A O no hydrogen 2.896 N/A GLY 105.A N ASP 103.A OD1 no hydrogen 2.877 N/A ARG 109.A N ALA 106.A O no hydrogen 2.942 N/A ARG 109.A NE VAL 150.A O no hydrogen 2.709 N/A ARG 109.A NH1 GLU 216.A OE1 no hydrogen 3.012 N/A ARG 109.A NH2 CYS 104.A O no hydrogen 2.881 N/A THR 111.A N GLN 219.A OE1 no hydrogen 2.890 N/A VAL 115.A N ASP 112.A OD1 no hydrogen 3.026 N/A TRP 116.A N ASP 112.A O no hydrogen 2.940 N/A TRP 116.A NE1 SER 122.A OG no hydrogen 2.936 N/A GLU 117.A N ALA 113.A O no hydrogen 2.990 N/A ARG 118.A N ALA 114.A O no hydrogen 3.002 N/A PHE 119.A N VAL 115.A O no hydrogen 3.124 N/A TYR 120.A N TRP 116.A O no hydrogen 2.828 N/A GLY 121.A N GLU 117.A O no hydrogen 2.960 N/A HIS 124.A NE2 LEU 110.A O no hydrogen 2.753 N/A TRP 128.A N PHE 108.A O no hydrogen 2.904 N/A TYR 130.A OH GLU 216.A OE2 no hydrogen 2.589 N/A GLY 131.A N ALA 149.A O no hydrogen 2.773 N/A LEU 132.A N TYR 130.A O no hydrogen 2.853 N/A GLU 134.A N GLU 134.A OE1 no hydrogen 2.827 N/A LEU 135.A N LEU 132.A O no hydrogen 3.093 N/A ALA 138.A N LEU 135.A O no hydrogen 3.001 N/A ARG 139.A NE GLU 335.A OE1 no hydrogen 2.693 N/A ARG 139.A NE GLU 335.A OE2 no hydrogen 3.436 N/A ARG 139.A NH1 GLU 270.A OE2 no hydrogen 2.919 N/A ARG 139.A NH2 GLU 270.A OE1 no hydrogen 2.877 N/A ARG 139.A NH2 GLU 270.A OE2 no hydrogen 3.557 N/A ARG 139.A NH2 GLU 335.A OE2 no hydrogen 2.838 N/A GLN 141.A N ALA 138.A O no hydrogen 3.071 N/A GLN 141.A NE2 GLY 137.A O no hydrogen 3.437 N/A LEU 142.A N ARG 139.A O no hydrogen 3.056 N/A ARG 143.A N ARG 139.A O no hydrogen 3.259 N/A ARG 143.A NH1 ASP 140.A OD1 no hydrogen 2.508 N/A GLY 144.A N LEU 329.A O no hydrogen 3.199 N/A THR 145.A N LEU 142.A O no hydrogen 3.000 N/A THR 145.A OG1 ARG 147.A O no hydrogen 2.723 N/A ARG 146.A NE GLU 98.A O no hydrogen 2.921 N/A ARG 146.A NH2 GLU 98.A O no hydrogen 2.835 N/A ARG 147.A N THR 145.A OG1 no hydrogen 3.024 N/A ARG 147.A NH1 PRO 97.A O no hydrogen 3.150 N/A ARG 147.A NH1 ARG 146.A O no hydrogen 2.867 N/A ARG 147.A NH2 PRO 97.A O no hydrogen 2.854 N/A ILE 148.A N ILE 101.A O no hydrogen 3.017 N/A ALA 149.A N PRO 129.A O no hydrogen 2.915 N/A VAL 150.A N ASP 103.A O no hydrogen 2.858 N/A GLY 152.A N GLU 216.A OE2 no hydrogen 2.837 N/A TYR 153.A OH TYR 205.A OH no hydrogen 2.769 N/A THR 155.A N GLY 152.A O no hydrogen 3.218 N/A THR 155.A OG1 GLY 152.A O no hydrogen 2.862 N/A ALA 157.A N TYR 153.A O no hydrogen 2.966 N/A LEU 158.A N PRO 154.A O no hydrogen 2.779 N/A LEU 159.A N THR 155.A O no hydrogen 3.124 N/A ALA 160.A N ALA 156.A O no hydrogen 2.998 N/A LEU 161.A N ALA 157.A O no hydrogen 2.951 N/A LEU 161.A N LEU 158.A O no hydrogen 3.329 N/A PHE 162.A N LEU 158.A O no hydrogen 2.895 N/A LEU 165.A N LEU 161.A O no hydrogen 3.235 N/A ALA 166.A N PHE 162.A O no hydrogen 2.799 N/A ALA 167.A N PRO 163.A O no hydrogen 3.165 N/A ASP 168.A N LEU 165.A O no hydrogen 2.875 N/A LEU 169.A N ALA 164.A O no hydrogen 3.020 N/A GLU 171.A N ARG 251.A O no hydrogen 2.896 N/A VAL 174.A N SER 230.A O no hydrogen 2.896 N/A THR 175.A N THR 249.A O no hydrogen 2.859 N/A VAL 176.A N SER 232.A O no hydrogen 2.737 N/A VAL 177.A N THR 247.A O no hydrogen 2.872 N/A ALA 178.A N THR 234.A O no hydrogen 2.922 N/A VAL 179.A N LEU 245.A O no hydrogen 2.955 N/A SER 180.A N VAL 236.A O no hydrogen 2.826 N/A SER 180.A OG GLY 181.A O no hydrogen 2.735 N/A GLY 181.A N GLY 243.A O no hydrogen 2.875 N/A THR 182.A N ALA 240.A O no hydrogen 2.831 N/A SER 183.A N SER 241.A O no hydrogen 3.054 N/A SER 183.A OG SER 241.A O no hydrogen 2.674 N/A ALA 185.A N THR 182.A O no hydrogen 3.073 N/A GLY 186.A N SER 183.A O no hydrogen 3.151 N/A ARG 187.A NH1 SER 13.A O no hydrogen 2.753 N/A ARG 187.A NH1 HIS 53.A O no hydrogen 2.866 N/A ARG 187.A NH2 HIS 53.A O no hydrogen 2.805 N/A LEU 193.A N THR 190.A O no hydrogen 3.121 N/A LEU 194.A N THR 191.A O no hydrogen 3.138 N/A VAL 198.A N LEU 194.A O no hydrogen 3.004 N/A ILE 199.A N GLY 195.A O no hydrogen 2.844 N/A SER 201.A N VAL 198.A O no hydrogen 3.116 N/A ARG 203.A N LEU 237.A O no hydrogen 3.135 N/A ARG 203.A NH2 ASP 192.A O no hydrogen 3.362 N/A TYR 205.A N PRO 235.A O no hydrogen 3.089 N/A TYR 205.A OH TYR 153.A OH no hydrogen 2.769 N/A VAL 210.A N ILE 207.A O no hydrogen 3.452 N/A ARG 212.A NE PHE 119.A O no hydrogen 2.864 N/A HIS 213.A N HIS 211.A ND1 no hydrogen 2.936 N/A THR 214.A N HIS 211.A O no hydrogen 2.980 N/A THR 214.A OG1 HIS 211.A O no hydrogen 2.924 N/A ILE 217.A N HIS 213.A O no hydrogen 2.961 N/A ALA 218.A N THR 214.A O no hydrogen 3.039 N/A GLN 219.A N PRO 215.A O no hydrogen 2.842 N/A GLN 219.A NE2 ARG 109.A O no hydrogen 2.995 N/A GLY 220.A N GLU 216.A O no hydrogen 3.166 N/A LEU 221.A N ILE 217.A O no hydrogen 3.089 N/A ARG 222.A N ALA 218.A O no hydrogen 2.830 N/A ARG 222.A NH2 VAL 229.A O no hydrogen 3.178 N/A ALA 223.A N GLN 219.A O no hydrogen 3.290 N/A VAL 224.A N LEU 221.A O no hydrogen 3.010 N/A ARG 227.A N THR 225.A OG1 no hydrogen 3.072 N/A ARG 227.A NE ASP 168.A OD1 no hydrogen 2.772 N/A ARG 227.A NH2 ASP 168.A OD1 no hydrogen 3.568 N/A ARG 227.A NH2 ASP 168.A OD2 no hydrogen 2.785 N/A SER 230.A N PRO 172.A O no hydrogen 3.051 N/A SER 232.A N VAL 174.A O no hydrogen 2.928 N/A THR 234.A N VAL 176.A O no hydrogen 2.868 N/A VAL 236.A N ALA 178.A O no hydrogen 2.821 N/A LEU 237.A N ARG 203.A O no hydrogen 2.819 N/A ILE 238.A N SER 180.A O no hydrogen 2.949 N/A ALA 240.A N ILE 238.A O no hydrogen 2.822 N/A ARG 242.A NH1 GLU 19.A OE2 no hydrogen 2.971 N/A ARG 242.A NH1 ASP 313.A OD1 no hydrogen 3.524 N/A ARG 242.A NH1 ASP 313.A OD2 no hydrogen 2.833 N/A ARG 242.A NH2 GLU 19.A OE1 no hydrogen 2.897 N/A ARG 242.A NH2 GLU 19.A OE2 no hydrogen 3.350 N/A GLY 243.A N ASN 314.A OD1 no hydrogen 2.740 N/A ILE 244.A N ILE 312.A O no hydrogen 2.871 N/A LEU 245.A N VAL 179.A O no hydrogen 3.024 N/A ALA 246.A N ALA 310.A O no hydrogen 2.821 N/A THR 247.A N VAL 177.A O no hydrogen 2.886 N/A CYS 248.A N ALA 308.A O no hydrogen 2.868 N/A THR 249.A N THR 175.A O no hydrogen 2.778 N/A ALA 250.A N PHE 306.A O no hydrogen 3.220 N/A ARG 251.A NE.B GLN 304.A O no hydrogen 3.082 N/A ARG 251.A NH1.A GLN 304.A OE1 no hydrogen 2.766 N/A ARG 251.A NH2.A GLN 304.A OE1 no hydrogen 3.012 N/A ARG 251.A NH2.B GLN 304.A OE1 no hydrogen 3.120 N/A THR 252.A N GLN 304.A O no hydrogen 2.934 N/A THR 252.A OG1 LEU 169.A O no hydrogen 2.669 N/A SER 254.A N THR 252.A OG1 no hydrogen 3.046 N/A SER 254.A OG LEU 169.A O no hydrogen 2.936 N/A GLN 258.A N PRO 255.A O no hydrogen 3.026 N/A LEU 259.A N PRO 255.A O no hydrogen 3.272 N/A ARG 260.A N LEU 256.A O no hydrogen 2.791 N/A ARG 260.A NH1 VAL 297.A O no hydrogen 2.878 N/A ALA 261.A N SER 257.A O no hydrogen 3.006 N/A ALA 262.A N GLN 258.A O no hydrogen 3.103 N/A TYR 263.A N LEU 259.A O no hydrogen 3.219 N/A TYR 263.A OH ALA 160.A O no hydrogen 2.533 N/A GLU 264.A N ARG 260.A O no hydrogen 2.920 N/A LYS 265.A N ALA 261.A O no hydrogen 2.936 N/A ALA 266.A N ALA 262.A O no hydrogen 3.101 N/A TYR 267.A N TYR 263.A O no hydrogen 2.956 N/A TYR 267.A N GLU 264.A O no hydrogen 3.307 N/A TYR 267.A OH LEU 159.A O no hydrogen 2.602 N/A HIS 268.A N GLU 264.A O no hydrogen 2.908 N/A HIS 268.A ND1 GLU 264.A O no hydrogen 3.169 N/A GLU 270.A N TYR 267.A O no hydrogen 3.035 N/A ILE 273.A N GLU 270.A O no hydrogen 3.247 N/A TYR 274.A N ALA 293.A O no hydrogen 2.849 N/A MET 276.A N ILE 295.A O no hydrogen 2.900 N/A GLN 280.A N PRO 277.A O no hydrogen 3.040 N/A ALA 286.A N ARG 283.A O no hydrogen 3.070 N/A VAL 287.A N THR 284.A O no hydrogen 3.080 N/A GLY 289.A N ASP 313.A OD2 no hydrogen 2.752 N/A SER 290.A N VAL 287.A O no hydrogen 2.930 N/A SER 290.A OG VAL 287.A O no hydrogen 2.754 N/A ASN 291.A N SER 340.A O no hydrogen 2.808 N/A ASN 291.A ND2 GLN 325.A OE1 no hydrogen 2.940 N/A ALA 292.A N SER 290.A OG no hydrogen 3.082 N/A ALA 293.A N PHE 272.A O no hydrogen 2.901 N/A HIS 294.A N ALA 311.A O no hydrogen 2.974 N/A ILE 295.A N TYR 274.A O no hydrogen 2.861 N/A ALA 296.A N ILE 309.A O no hydrogen 3.035 N/A ALA 298.A N VAL 307.A O no hydrogen 2.837 N/A ASP 300.A N THR 305.A O no hydrogen 2.748 N/A ALA 303.A N ASP 300.A OD1 no hydrogen 3.099 N/A GLN 304.A N GLU 301.A O no hydrogen 3.069 N/A THR 305.A N ASP 300.A O no hydrogen 3.050 N/A THR 305.A OG1 ALA 303.A O no hydrogen 2.818 N/A PHE 306.A N ALA 250.A O no hydrogen 2.776 N/A VAL 307.A N ALA 298.A O no hydrogen 2.903 N/A ALA 308.A N CYS 248.A O no hydrogen 2.809 N/A ILE 309.A N ALA 296.A O no hydrogen 2.873 N/A ALA 310.A N ALA 246.A O no hydrogen 3.016 N/A ALA 311.A N HIS 294.A O no hydrogen 2.890 N/A ILE 312.A N ILE 244.A O no hydrogen 3.019 N/A ASN 314.A ND2 SER 183.A OG no hydrogen 2.918 N/A LEU 315.A N ASP 313.A OD1 no hydrogen 2.836 N/A VAL 316.A N ASP 313.A O no hydrogen 3.107 N/A LYS 317.A NZ GLU 134.A OE1 no hydrogen 2.719 N/A LYS 317.A NZ GLU 134.A OE2 no hydrogen 3.250 N/A LYS 317.A NZ GLN 325.A OE1 no hydrogen 2.799 N/A GLY 318.A N ASP 313.A O no hydrogen 3.127 N/A THR 319.A N VAL 316.A O no hydrogen 2.970 N/A THR 319.A OG1 ASN 314.A O no hydrogen 2.714 N/A ALA 320.A N LEU 315.A O no hydrogen 2.834 N/A GLY 321.A N VAL 316.A O no hydrogen 2.734 N/A ALA 322.A N VAL 316.A O no hydrogen 3.208 N/A ALA 323.A N THR 319.A O no hydrogen 3.013 N/A VAL 324.A N ALA 320.A O no hydrogen 2.878 N/A GLN 325.A N GLY 321.A O no hydrogen 2.725 N/A GLN 325.A NE2 GLU 134.A OE2 no hydrogen 2.943 N/A GLN 325.A NE2 GLU 335.A OE2 no hydrogen 2.791 N/A SER 326.A N ALA 322.A O no hydrogen 2.944 N/A SER 326.A OG ALA 322.A O no hydrogen 2.922 N/A MET 327.A N ALA 323.A O no hydrogen 2.845 N/A ASN 328.A N VAL 324.A O no hydrogen 2.863 N/A ASN 328.A ND2 GLU 335.A O no hydrogen 3.002 N/A ASN 328.A ND2 ASP 337.A O no hydrogen 2.938 N/A LEU 329.A N GLN 325.A O no hydrogen 3.284 N/A ALA 330.A N SER 326.A O no hydrogen 2.857 N/A LEU 331.A N MET 327.A O no hydrogen 2.917 N/A LEU 331.A N ASN 328.A O no hydrogen 3.238 N/A GLY 332.A N LEU 329.A O no hydrogen 3.362 N/A TRP 333.A N ASN 328.A O no hydrogen 2.876 N/A TRP 333.A NE1 ALA 2.A O no hydrogen 3.009 N/A ASP 337.A N PRO 334.A O no hydrogen 3.039 N/A LEU 339.A N THR 336.A O no hydrogen 3.012 N/A VAL 342.A N SER 340.A OG no hydrogen 2.920 N/A VAL 344.A N ILE 288.A O no hydrogen 2.795 N/A