Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3qxf_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TRP 5.A NE1 ASP 45.A OD2 no hydrogen 2.926 N/A GLU 6.A N TRP 2.A O no hydrogen 3.000 N/A GLN 7.A N PRO 3.A O no hydrogen 3.003 N/A GLN 7.A NE2 ASP 11.A OD1 no hydrogen 3.013 N/A PHE 8.A N ALA 4.A O no hydrogen 2.911 N/A LYS 9.A N TRP 5.A O no hydrogen 2.868 N/A LYS 9.A NZ GLU 6.A OE1 no hydrogen 3.307 N/A LYS 9.A NZ GLU 6.A OE2 no hydrogen 3.194 N/A LYS 9.A NZ ASP 45.A OD2 no hydrogen 2.659 N/A LYS 10.A N GLU 6.A O no hydrogen 3.207 N/A ASP 11.A N GLN 7.A O no hydrogen 2.886 N/A TYR 12.A N PHE 8.A O no hydrogen 2.823 N/A TYR 12.A OH GLY 295.A O no hydrogen 2.620 N/A ILE 13.A N LYS 9.A O no hydrogen 2.950 N/A SER 14.A N ARG 18.A O no hydrogen 2.890 N/A GLU 16.A N SER 14.A OG no hydrogen 3.253 N/A GLY 17.A N SER 14.A O no hydrogen 2.939 N/A ARG 18.A N SER 14.A OG no hydrogen 3.081 N/A ARG 18.A NH1 LYS 27.A O no hydrogen 2.912 N/A ARG 18.A NH1 THR 29.A OG1 no hydrogen 2.711 N/A ARG 18.A NH2 LYS 27.A O no hydrogen 3.118 N/A VAL 19.A N GLN 34.A OE1 no hydrogen 2.746 N/A ILE 20.A N TYR 12.A O no hydrogen 2.684 N/A ASP 21.A N ILE 28.A O no hydrogen 2.981 N/A SER 23.A N ASP 21.A OD1 no hydrogen 2.930 N/A SER 23.A OG ASP 21.A OD1 no hydrogen 2.784 N/A SER 23.A OG ASP 21.A OD2 no hydrogen 3.390 N/A ARG 26.A N ASP 24.A OD2 no hydrogen 2.815 N/A ARG 26.A NE ASP 24.A OD1 no hydrogen 3.125 N/A ARG 26.A NE ASP 24.A OD2 no hydrogen 2.984 N/A ARG 26.A NH2 ASP 24.A OD1 no hydrogen 2.508 N/A LYS 27.A N ASP 24.A O no hydrogen 2.826 N/A LYS 27.A NZ PRO 22.A O no hydrogen 2.744 N/A THR 29.A N TRP 74.A O no hydrogen 2.825 N/A THR 29.A OG1 VAL 19.A O no hydrogen 2.786 N/A SER 31.A N TRP 72.A O no hydrogen 2.956 N/A GLY 33.A N THR 30.A OG1 no hydrogen 2.878 N/A GLN 34.A N THR 30.A O no hydrogen 2.947 N/A GLN 34.A NE2 GLY 17.A O no hydrogen 3.129 N/A GLN 34.A NE2 ILE 52.A O no hydrogen 3.460 N/A GLN 34.A NE2 THR 56.A OG1 no hydrogen 3.030 N/A SER 35.A N SER 31.A O no hydrogen 2.950 N/A SER 35.A OG GLU 32.A O no hydrogen 2.754 N/A TYR 36.A N GLU 32.A O no hydrogen 2.937 N/A GLY 37.A N GLY 33.A O no hydrogen 2.989 N/A SER 39.A N TYR 36.A O no hydrogen 2.890 N/A SER 39.A OG TYR 36.A O no hydrogen 2.758 N/A ALA 40.A N GLY 37.A O no hydrogen 2.940 N/A ALA 42.A N PHE 38.A O no hydrogen 2.862 N/A ALA 43.A N SER 39.A O no hydrogen 2.890 N/A ASN 44.A N LEU 41.A O no hydrogen 2.974 N/A ASP 45.A N ALA 40.A O no hydrogen 2.771 N/A ARG 46.A NE TYR 112.A OH no hydrogen 3.038 N/A ALA 48.A N ASP 45.A OD1 no hydrogen 3.216 N/A PHE 49.A N ASP 45.A O no hydrogen 3.064 N/A ASP 50.A N ARG 46.A O no hydrogen 2.945 N/A ASN 51.A N ALA 47.A O no hydrogen 3.066 N/A ASN 51.A ND2 GLN 15.A O no hydrogen 2.873 N/A ILE 52.A N ALA 48.A O no hydrogen 2.900 N/A LEU 53.A N PHE 49.A O no hydrogen 2.857 N/A ASP 54.A N ASP 50.A O no hydrogen 2.840 N/A TRP 55.A N ASN 51.A O no hydrogen 3.046 N/A THR 56.A N ILE 52.A O no hydrogen 2.971 N/A THR 56.A OG1 ILE 52.A O no hydrogen 2.703 N/A GLN 57.A N LEU 53.A O no hydrogen 2.949 N/A ASN 58.A N ASP 54.A O no hydrogen 3.072 N/A ASN 59.A N TRP 55.A O no hydrogen 2.878 N/A ASN 59.A ND2 TRP 55.A O no hydrogen 2.991 N/A LEU 60.A N THR 56.A O no hydrogen 2.823 N/A ALA 61.A N GLN 57.A O no hydrogen 3.245 N/A GLY 63.A N GLN 57.A O no hydrogen 2.731 N/A SER 64.A N ALA 61.A O no hydrogen 2.916 N/A LYS 66.A N SER 64.A OG no hydrogen 3.023 N/A GLU 67.A N SER 64.A O no hydrogen 3.069 N/A ARG 68.A NH1 ALA 61.A O no hydrogen 2.801 N/A ALA 71.A N LEU 60.A O no hydrogen 2.831 N/A TRP 72.A N ASN 88.A O no hydrogen 2.867 N/A TRP 72.A NE1 ASP 86.A OD2 no hydrogen 2.778 N/A TRP 74.A N THR 29.A O no hydrogen 2.902 N/A GLY 75.A N GLU 83.A O no hydrogen 3.021 N/A LYS 76.A N ARG 26.A O no hydrogen 2.978 N/A LYS 77.A N LYS 81.A O no hydrogen 2.652 N/A SER 80.A N LYS 77.A O no hydrogen 3.218 N/A SER 80.A OG ASN 79.A O no hydrogen 2.426 N/A LYS 81.A N ASN 79.A OD1 no hydrogen 2.921 N/A GLU 83.A N GLY 75.A O no hydrogen 3.023 N/A LEU 85.A N LEU 73.A O no hydrogen 2.764 N/A ASP 86.A N LEU 73.A O no hydrogen 3.299 N/A ASN 88.A N ASP 86.A OD1 no hydrogen 2.937 N/A ASN 88.A ND2 VAL 142.A O no hydrogen 2.941 N/A SER 89.A N ASN 88.A OD1 no hydrogen 2.934 N/A SER 89.A OG GLU 127.A OE1 no hydrogen 2.714 N/A SER 91.A N PRO 139.A O no hydrogen 2.933 N/A SER 91.A OG LEU 138.A O no hydrogen 2.746 N/A ASP 94.A N ALA 90.A O no hydrogen 3.133 N/A VAL 95.A N SER 91.A O no hydrogen 2.922 N/A TRP 96.A N ASP 92.A O no hydrogen 3.100 N/A TRP 98.A N VAL 95.A O no hydrogen 2.911 N/A TRP 98.A NE1 GLY 322.A O no hydrogen 2.980 N/A SER 99.A N TRP 96.A O no hydrogen 2.930 N/A SER 99.A OG TRP 96.A O no hydrogen 2.799 N/A LEU 101.A N ALA 97.A O no hydrogen 2.908 N/A GLU 102.A N TRP 98.A O no hydrogen 2.854 N/A ALA 103.A N SER 99.A O no hydrogen 2.834 N/A GLY 104.A N LEU 100.A O no hydrogen 2.859 N/A ARG 105.A N LEU 101.A O no hydrogen 3.041 N/A ARG 105.A NE GLU 102.A OE2 no hydrogen 2.871 N/A ARG 105.A NH2 GLU 102.A OE1 no hydrogen 2.766 N/A ARG 105.A NH2 LEU 324.A O no hydrogen 3.316 N/A LEU 106.A N GLU 102.A O no hydrogen 2.805 N/A TRP 107.A N ALA 103.A O no hydrogen 2.840 N/A TRP 107.A NE1 ASN 44.A OD1 no hydrogen 2.893 N/A GLU 109.A N GLY 104.A O no hydrogen 3.099 N/A GLN 110.A NE2 ASP 114.A OD1 no hydrogen 2.721 N/A ARG 111.A N GLU 109.A OE1 no hydrogen 2.951 N/A TYR 112.A N GLU 109.A O no hydrogen 3.227 N/A TYR 112.A OH ASP 50.A OD1 no hydrogen 2.460 N/A ASP 114.A N GLN 110.A O no hydrogen 2.855 N/A ILE 115.A N ARG 111.A O no hydrogen 3.076 N/A GLY 116.A N TYR 112.A O no hydrogen 2.884 N/A SER 117.A N THR 113.A O no hydrogen 2.816 N/A ALA 118.A N ASP 114.A O no hydrogen 3.133 N/A LEU 119.A N ILE 115.A O no hydrogen 2.900 N/A LEU 120.A N GLY 116.A O no hydrogen 2.874 N/A LYS 121.A N SER 117.A O no hydrogen 2.964 N/A LYS 121.A NZ SER 117.A OG no hydrogen 2.720 N/A ARG 122.A N ALA 118.A O no hydrogen 3.085 N/A ARG 122.A NH1 GLU 126.A OE2 no hydrogen 2.844 N/A ARG 122.A NH2 LYS 66.A O no hydrogen 2.961 N/A ILE 123.A N LEU 119.A O no hydrogen 2.925 N/A ALA 124.A N LEU 120.A O no hydrogen 3.118 N/A ARG 125.A N LYS 121.A O no hydrogen 2.989 N/A GLU 126.A N ARG 122.A O no hydrogen 2.807 N/A GLU 127.A N ILE 123.A O no hydrogen 2.932 N/A VAL 131.A N GLY 135.A O no hydrogen 2.881 N/A LEU 134.A N VAL 131.A O no hydrogen 3.027 N/A GLY 135.A N VAL 131.A O no hydrogen 2.770 N/A LEU 138.A N GLU 127.A O no hydrogen 2.854 N/A LYS 141.A N SER 89.A OG no hydrogen 2.870 N/A VAL 142.A N ASN 88.A OD1 no hydrogen 3.155 N/A GLU 146.A N SER 149.A O no hydrogen 2.858 N/A SER 149.A N GLU 146.A O no hydrogen 3.289 N/A TRP 150.A N TYR 198.A O no hydrogen 2.964 N/A ARG 151.A N PHE 144.A O no hydrogen 2.963 N/A ARG 151.A NH2 THR 211.A OG1 no hydrogen 3.116 N/A PHE 152.A N VAL 196.A O no hydrogen 2.817 N/A ASN 153.A ND2 ASP 217.A OD1 no hydrogen 3.073 N/A SER 155.A N ASN 153.A OD1 no hydrogen 3.168 N/A SER 155.A OG ASN 153.A OD1 no hydrogen 2.630 N/A TYR 156.A N ASN 153.A O no hydrogen 2.929 N/A ALA 162.A N PRO 158.A O no hydrogen 3.001 N/A GLN 163.A N PRO 159.A O no hydrogen 2.934 N/A TYR 164.A N THR 160.A O no hydrogen 3.065 N/A TYR 164.A OH GLU 102.A OE2 no hydrogen 2.587 N/A PHE 165.A N LEU 161.A O no hydrogen 2.964 N/A THR 166.A N GLN 163.A O no hydrogen 3.216 N/A THR 166.A OG1 GLN 163.A O no hydrogen 2.662 N/A ARG 167.A N TYR 164.A O no hydrogen 3.266 N/A ARG 167.A NE TYR 164.A O no hydrogen 2.924 N/A ARG 167.A NH1 GLU 323.A OE2 no hydrogen 3.324 N/A ARG 167.A NH2 LYS 321.A O no hydrogen 3.297 N/A ARG 167.A NH2 GLU 323.A OE2 no hydrogen 3.154 N/A PHE 168.A N PHE 165.A O no hydrogen 2.872 N/A GLY 169.A N THR 166.A O no hydrogen 3.074 N/A TRP 172.A N GLY 169.A O no hydrogen 2.818 N/A THR 173.A N GLY 169.A O no hydrogen 3.285 N/A LEU 175.A N PRO 171.A O no hydrogen 2.926 N/A ARG 176.A N TRP 172.A O no hydrogen 3.097 N/A THR 178.A N THR 174.A O no hydrogen 2.951 N/A THR 178.A OG1 SER 136.A O no hydrogen 2.760 N/A THR 178.A OG1 THR 174.A O no hydrogen 3.518 N/A THR 178.A OG1 LEU 175.A O no hydrogen 3.371 N/A ASN 179.A N LEU 175.A O no hydrogen 2.784 N/A ASN 179.A ND2 LEU 157.A O no hydrogen 2.900 N/A GLN 180.A N ARG 176.A O no hydrogen 3.219 N/A ARG 181.A N GLU 177.A O no hydrogen 3.080 N/A ARG 181.A NE GLU 185.A OE1 no hydrogen 3.487 N/A ARG 181.A NE GLU 185.A OE2 no hydrogen 2.819 N/A ARG 181.A NH1 GLY 133.A O no hydrogen 2.964 N/A ARG 181.A NH2 GLU 185.A OE1 no hydrogen 3.050 N/A LEU 182.A N THR 178.A O no hydrogen 2.884 N/A LEU 183.A N ASN 179.A O no hydrogen 3.007 N/A LEU 184.A N GLN 180.A O no hydrogen 2.916 N/A GLU 185.A N ARG 181.A O no hydrogen 2.869 N/A THR 186.A OG1 LEU 182.A O no hydrogen 2.647 N/A GLY 190.A N ALA 187.A O no hydrogen 2.990 N/A SER 192.A N TYR 222.A OH no hydrogen 2.899 N/A ASP 194.A N ILE 213.A O no hydrogen 2.701 N/A VAL 196.A N PHE 152.A O no hydrogen 2.946 N/A ARG 197.A NH1 GLU 199.A OE2 no hydrogen 2.958 N/A ARG 197.A NH2 GLU 209.A OE2 no hydrogen 3.389 N/A TYR 198.A N TRP 150.A O no hydrogen 2.876 N/A GLU 199.A N GLY 203.A O no hydrogen 2.969 N/A LYS 200.A N ASN 148.A O no hydrogen 2.921 N/A LYS 202.A N LYS 200.A O no hydrogen 2.733 N/A LYS 202.A NZ GLU 199.A OE1 no hydrogen 2.877 N/A GLY 203.A N GLU 199.A O no hydrogen 2.851 N/A TRP 204.A NE1 GLU 185.A OE1 no hydrogen 3.021 N/A GLN 205.A N ARG 197.A O no hydrogen 2.875 N/A LEU 212.A N GLU 209.A O no hydrogen 2.981 N/A SER 214.A N VAL 254.A O no hydrogen 2.847 N/A SER 214.A OG TYR 222.A OH no hydrogen 2.662 N/A SER 215.A N ASP 194.A OD1 no hydrogen 2.921 N/A SER 215.A OG ASP 194.A OD2 no hydrogen 2.524 N/A TYR 216.A N SER 215.A OG no hydrogen 2.622 N/A TYR 216.A OH GLU 252.A OE2 no hydrogen 2.515 N/A ASP 217.A N ASP 194.A OD1 no hydrogen 3.227 N/A ALA 218.A N ASP 194.A OD1 no hydrogen 2.859 N/A ILE 219.A N SER 215.A O no hydrogen 3.087 N/A ARG 220.A N ASP 217.A O no hydrogen 3.192 N/A ARG 220.A NH1 ASP 92.A OD2 no hydrogen 3.425 N/A ARG 220.A NH2 ASP 92.A OD2 no hydrogen 3.137 N/A ARG 220.A NH2 SER 155.A OG no hydrogen 2.714 N/A VAL 221.A N ALA 218.A O no hydrogen 2.810 N/A TYR 222.A OH SER 214.A OG no hydrogen 2.662 N/A TRP 223.A NE1 SER 155.A O no hydrogen 2.927 N/A VAL 224.A N VAL 221.A O no hydrogen 3.030 N/A GLY 225.A N TYR 222.A O no hydrogen 3.008 N/A ASP 229.A N PRO 226.A O no hydrogen 3.004 N/A GLN 231.A N ASP 229.A OD1 no hydrogen 2.900 N/A LYS 232.A N ASP 229.A O no hydrogen 2.905 N/A LYS 232.A NZ GLY 225.A O no hydrogen 3.173 N/A LYS 232.A NZ ASP 227.A OD1 no hydrogen 2.810 N/A ASN 236.A N ALA 233.A O no hydrogen 2.926 N/A ARG 237.A N ARG 234.A O no hydrogen 3.089 N/A ARG 237.A NE LEU 184.A O no hydrogen 2.719 N/A ARG 237.A NH2 LEU 184.A O no hydrogen 2.832 N/A LYS 239.A N ASN 236.A O no hydrogen 3.267 N/A THR 242.A N LYS 239.A O no hydrogen 2.777 N/A THR 242.A OG1 LYS 239.A O no hydrogen 3.231 N/A PHE 243.A N PRO 240.A O no hydrogen 2.979 N/A GLU 245.A N ALA 241.A O no hydrogen 2.858 N/A LYS 246.A N THR 242.A O no hydrogen 2.918 N/A ASN 247.A N PHE 243.A O no hydrogen 2.865 N/A ASN 247.A ND2 PHE 243.A O no hydrogen 2.950 N/A GLY 248.A N THR 244.A O no hydrogen 2.828 N/A GLU 252.A N GLN 262.A O no hydrogen 3.072 N/A LYS 253.A N GLN 262.A O no hydrogen 3.091 N/A VAL 254.A N SER 214.A O no hydrogen 3.120 N/A ASP 255.A N LYS 260.A O no hydrogen 2.889 N/A VAL 256.A N LEU 212.A O no hydrogen 3.225 N/A ALA 257.A N ASP 255.A OD2 no hydrogen 2.836 N/A THR 258.A N ASP 255.A OD2 no hydrogen 3.347 N/A GLY 259.A N ASP 255.A O no hydrogen 2.769 N/A LYS 260.A N THR 258.A OG1 no hydrogen 3.108 N/A GLN 262.A N LYS 253.A O no hydrogen 2.766 N/A GLY 265.A N PRO 250.A O no hydrogen 2.806 N/A GLY 268.A N ASN 301.A OD1 no hydrogen 2.774 N/A PHE 269.A N PRO 266.A O no hydrogen 2.935 N/A ALA 271.A N VAL 267.A O no hydrogen 3.035 N/A ALA 272.A N GLY 268.A O no hydrogen 2.954 N/A ALA 281.A N ASN 278.A OD1 no hydrogen 2.882 N/A GLN 282.A N ASN 278.A O no hydrogen 2.964 N/A GLN 282.A NE2 LEU 273.A O no hydrogen 2.815 N/A ALA 283.A N ARG 279.A O no hydrogen 2.994 N/A VAL 284.A N ASP 280.A O no hydrogen 2.996 N/A GLN 285.A N ALA 281.A O no hydrogen 3.138 N/A ARG 286.A N GLN 282.A O no hydrogen 2.807 N/A ARG 286.A NE ASP 312.A OD2 no hydrogen 2.767 N/A ARG 286.A NH2 ASP 312.A OD1 no hydrogen 2.834 N/A ARG 286.A NH2 ASP 312.A OD2 no hydrogen 3.528 N/A GLN 287.A N ALA 283.A O no hydrogen 2.984 N/A ARG 288.A N VAL 284.A O no hydrogen 3.205 N/A ARG 288.A NH1 GLY 265.A O no hydrogen 2.788 N/A ARG 288.A NH2 GLY 265.A O no hydrogen 2.864 N/A ARG 288.A NH2 PRO 266.A O no hydrogen 3.311 N/A ARG 288.A NH2 SER 270.A OG no hydrogen 2.828 N/A VAL 289.A N GLN 285.A O no hydrogen 3.039 N/A ALA 290.A N ARG 286.A O no hydrogen 2.940 N/A ASP 291.A N GLN 287.A O no hydrogen 2.894 N/A ASN 292.A N VAL 289.A O no hydrogen 3.312 N/A ASN 292.A ND2 ARG 288.A O no hydrogen 2.898 N/A ALA 298.A N TYR 12.A OH no hydrogen 2.846 N/A TYR 300.A OH TYR 216.A O no hydrogen 2.689 N/A TYR 302.A N ALA 298.A O no hydrogen 2.926 N/A TYR 302.A OH ALA 4.A O no hydrogen 2.802 N/A VAL 303.A N TYR 299.A O no hydrogen 2.923 N/A LEU 304.A N TYR 300.A O no hydrogen 3.198 N/A THR 305.A N ASN 301.A O no hydrogen 2.912 N/A THR 305.A OG1 ASN 301.A O no hydrogen 2.752 N/A LEU 306.A N TYR 302.A O no hydrogen 2.867 N/A PHE 307.A N VAL 303.A O no hydrogen 3.360 N/A GLY 308.A N LEU 304.A O no hydrogen 2.842 N/A GLN 309.A N THR 305.A O no hydrogen 2.806 N/A GLY 310.A N THR 305.A O no hydrogen 3.368 N/A TRP 311.A N PHE 307.A O no hydrogen 2.919 N/A ASP 312.A N GLY 308.A O no hydrogen 3.095 N/A GLN 313.A N GLN 309.A O no hydrogen 2.890 N/A GLN 313.A N GLY 310.A O no hydrogen 3.126 N/A HIS 314.A N TRP 311.A O no hydrogen 2.929 N/A ARG 315.A N GLY 310.A O no hydrogen 2.857 N/A ARG 315.A NE GLN 313.A OE1 no hydrogen 3.234 N/A ARG 315.A NH2 GLN 313.A OE1 no hydrogen 2.839 N/A ARG 317.A N LEU 325.A O no hydrogen 3.305 N/A ARG 317.A NH1 TRP 311.A O no hydrogen 2.866 N/A ARG 317.A NH1 PHE 316.A O no hydrogen 2.801 N/A ARG 317.A NH2 TRP 311.A O no hydrogen 3.076 N/A SER 319.A N GLU 323.A O no hydrogen 2.779 N/A LYS 321.A N SER 319.A OG no hydrogen 3.043 N/A GLY 322.A N SER 319.A O no hydrogen 2.908 N/A GLU 323.A N SER 319.A OG no hydrogen 3.015 N/A LEU 324.A N GLU 102.A OE1 no hydrogen 2.787 N/A LEU 325.A N ARG 317.A O no hydrogen 2.784 N/A TRP 328.A NE1 LEU 41.A O no hydrogen 3.074 N/A