Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4wl3_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): CYS 1.A N ASP 18.A OD2 no hydrogen 2.938 N/A CYS 1.A SG ASP 18.A O no hydrogen 3.820 N/A THR 2.A N ASN 16.A O no hydrogen 3.257 N/A ALA 3.A N LEU 167.A O no hydrogen 2.876 N/A ILE 4.A N GLY 14.A O no hydrogen 2.844 N/A THR 5.A N GLY 165.A O no hydrogen 2.903 N/A TYR 6.A N TYR 12.A O no hydrogen 3.093 N/A TYR 6.A OH SER 235.A OG no hydrogen 2.744 N/A SER 8.A N ASP 10.A O no hydrogen 2.965 N/A SER 8.A OG SER 235.A OG no hydrogen 2.991 N/A SER 8.A OG ARG 236.A O no hydrogen 3.039 N/A SER 8.A OG SER 242.A OG no hydrogen 2.734 N/A HIS 11.A N GLU 279.A OE1 no hydrogen 2.767 N/A HIS 11.A ND1 GLU 279.A OE2 no hydrogen 2.651 N/A TYR 12.A N TYR 6.A O no hydrogen 2.869 N/A TYR 12.A OH GLU 239.A OE1 no hydrogen 2.589 N/A PHE 13.A N CYS 276.A O no hydrogen 2.929 N/A GLY 14.A N ILE 4.A O no hydrogen 3.082 N/A ARG 15.A N SER 274.A OG no hydrogen 3.031 N/A ARG 15.A NE ASN 16.A O no hydrogen 2.929 N/A ARG 15.A NH1 TYR 64.A O no hydrogen 3.129 N/A ARG 15.A NH1 ASP 65.A OD1 no hydrogen 2.864 N/A ARG 15.A NH1 GLY 76.A O no hydrogen 3.441 N/A ARG 15.A NH2 GLY 76.A O no hydrogen 2.888 N/A ASN 16.A N THR 2.A O no hydrogen 2.766 N/A ASN 16.A ND2 LEU 250.A O no hydrogen 2.885 N/A PHE 17.A N TYR 272.A O no hydrogen 2.846 N/A TYR 19.A N TYR 269.A O no hydrogen 3.011 N/A GLU 20.A N GLU 20.A OE1 no hydrogen 2.931 N/A SER 22.A OG GLU 25.A OE1 no hydrogen 2.631 N/A TYR 23.A N GLU 25.A OE2 no hydrogen 2.875 N/A VAL 26.A N ALA 54.A O no hydrogen 2.905 N/A VAL 27.A N TYR 311.A O no hydrogen 2.894 N/A THR 28.A N GLY 52.A O no hydrogen 2.773 N/A ILE 29.A N ILE 309.A O no hydrogen 2.727 N/A THR 30.A N ILE 50.A O no hydrogen 2.726 N/A THR 30.A OG1 TYR 63.A OH no hydrogen 2.828 N/A ARG 32.A N LEU 303.A O no hydrogen 2.772 N/A ARG 32.A NE GLU 69.A OE1 no hydrogen 3.429 N/A ARG 32.A NE GLU 69.A OE2 no hydrogen 2.931 N/A ARG 32.A NH1 GLU 304.A OE2 no hydrogen 2.799 N/A ARG 32.A NH2 GLU 69.A OE1 no hydrogen 2.838 N/A ASN 33.A N LYS 305.A O no hydrogen 3.256 N/A ASN 33.A ND2 GLU 304.A O no hydrogen 2.816 N/A TYR 34.A N PRO 31.A O no hydrogen 3.270 N/A PHE 36.A N LEU 44.A O no hydrogen 2.890 N/A PHE 38.A N ASN 43.A OD1 no hydrogen 3.050 N/A ARG 39.A N GLU 99.A OE2 no hydrogen 2.770 N/A LEU 44.A N PHE 36.A O no hydrogen 2.924 N/A HIS 46.A ND1 ASN 33.A OD1 no hydrogen 2.641 N/A HIS 47.A N ARG 32.A O no hydrogen 2.922 N/A HIS 47.A ND1 PHE 48.A O no hydrogen 2.685 N/A HIS 47.A NE2 TYR 34.A O no hydrogen 2.613 N/A PHE 48.A N GLY 106.A O no hydrogen 2.962 N/A ALA 49.A N GLU 69.A OE2 no hydrogen 2.803 N/A ILE 50.A N THR 30.A O no hydrogen 2.961 N/A ILE 51.A N ILE 67.A O no hydrogen 2.844 N/A GLY 52.A N THR 28.A O no hydrogen 3.084 N/A ILE 53.A N ASP 65.A O no hydrogen 3.163 N/A ALA 54.A N VAL 26.A O no hydrogen 2.771 N/A ALA 55.A N LEU 62.A O no hydrogen 2.953 N/A GLY 56.A N ASN 24.A O no hydrogen 2.617 N/A ALA 58.A N ALA 55.A O no hydrogen 3.488 N/A TYR 63.A OH THR 28.A O no hydrogen 2.655 N/A TYR 63.A OH THR 30.A OG1 no hydrogen 2.828 N/A TYR 64.A N ILE 53.A O no hydrogen 2.838 N/A ALA 66.A N MET 74.A O no hydrogen 2.945 N/A ILE 67.A N ILE 51.A O no hydrogen 2.885 N/A ASN 68.A N LEU 72.A O no hydrogen 2.839 N/A ASN 68.A ND2 LEU 105.A O no hydrogen 2.937 N/A ASN 68.A ND2 CYS 108.A O no hydrogen 2.847 N/A GLU 69.A N ALA 49.A O no hydrogen 2.970 N/A LYS 70.A N ASN 68.A OD1 no hydrogen 2.867 N/A GLY 71.A N ASN 68.A O no hydrogen 3.080 N/A LEU 72.A N ASN 68.A OD1 no hydrogen 3.133 N/A GLY 73.A N ALA 142.A O no hydrogen 2.724 N/A MET 74.A N ALA 66.A O no hydrogen 2.948 N/A ALA 75.A N LEU 140.A O no hydrogen 2.924 N/A GLY 76.A N TYR 64.A O no hydrogen 2.922 N/A LEU 77.A N HIS 138.A O no hydrogen 2.766 N/A PHE 79.A N PRO 136.A O no hydrogen 3.027 N/A TYR 82.A N PHE 79.A O no hydrogen 3.089 N/A ALA 83.A N PHE 79.A O no hydrogen 2.928 N/A ASP 84.A N SER 152.A O no hydrogen 2.904 N/A TYR 85.A OH SER 135.A O no hydrogen 2.647 N/A LYS 86.A N LEU 123.A O no hydrogen 2.856 N/A LYS 86.A NZ ASP 84.A OD2 no hydrogen 2.674 N/A LYS 86.A NZ THR 153.A O no hydrogen 2.803 N/A GLU 89.A N ASN 94.A OD1 no hydrogen 2.843 N/A LYS 92.A N GLU 89.A O no hydrogen 3.267 N/A GLU 93.A N ASN 120.A O no hydrogen 2.680 N/A ASN 94.A ND2 GLU 89.A O no hydrogen 2.809 N/A VAL 95.A N ASN 122.A O no hydrogen 2.996 N/A SER 96.A N GLU 99.A OE1 no hydrogen 2.972 N/A SER 96.A OG ILE 126.A O no hydrogen 2.812 N/A PHE 98.A N SER 96.A OG no hydrogen 3.313 N/A GLU 99.A N SER 96.A O no hydrogen 2.920 N/A PHE 100.A N PRO 97.A O no hydrogen 3.268 N/A TRP 103.A N GLU 99.A O no hydrogen 2.914 N/A VAL 104.A N PHE 100.A O no hydrogen 3.049 N/A LEU 105.A N ILE 101.A O no hydrogen 2.914 N/A GLY 106.A N PRO 102.A O no hydrogen 2.748 N/A GLN 107.A N VAL 104.A O no hydrogen 3.179 N/A GLN 107.A NE2 TRP 103.A O no hydrogen 2.839 N/A CYS 108.A N VAL 104.A O no hydrogen 2.930 N/A SER 109.A N GLU 113.A OE1 no hydrogen 2.919 N/A SER 109.A OG GLU 113.A OE1 no hydrogen 3.165 N/A VAL 111.A N ASP 143.A OD2 no hydrogen 2.740 N/A GLU 113.A N THR 110.A OG1 no hydrogen 2.860 N/A ALA 114.A N THR 110.A O no hydrogen 2.959 N/A LYS 115.A N VAL 111.A O no hydrogen 2.849 N/A LYS 115.A NZ ASP 161.A OD1 no hydrogen 2.727 N/A LYS 116.A N ASP 112.A O no hydrogen 3.265 N/A LEU 117.A N GLU 113.A O no hydrogen 3.065 N/A LEU 118.A N ALA 114.A O no hydrogen 2.744 N/A LYS 119.A N LYS 116.A O no hydrogen 3.221 N/A LEU 121.A N LEU 118.A O no hydrogen 3.160 N/A ASN 122.A N GLU 93.A O no hydrogen 2.931 N/A ASN 122.A ND2 LYS 87.A O no hydrogen 2.823 N/A ASN 122.A ND2 ASN 94.A OD1 no hydrogen 2.947 N/A VAL 124.A N VAL 95.A O no hydrogen 2.943 N/A ASN 125.A N LYS 86.A O no hydrogen 2.966 N/A ILE 126.A N VAL 124.A O no hydrogen 2.834 N/A LEU 137.A N TYR 85.A OH no hydrogen 2.795 N/A HIS 138.A N LEU 77.A O no hydrogen 2.817 N/A HIS 138.A ND1 LEU 77.A O no hydrogen 3.184 N/A TRP 139.A N VAL 150.A O no hydrogen 3.084 N/A LEU 140.A N ALA 75.A O no hydrogen 2.999 N/A LEU 141.A N ILE 148.A O no hydrogen 2.980 N/A ALA 142.A N GLY 73.A O no hydrogen 2.978 N/A ASP 143.A N GLN 146.A O no hydrogen 2.899 N/A GLU 145.A N ASP 143.A OD1 no hydrogen 2.823 N/A GLN 146.A N ASP 143.A OD1 no hydrogen 2.964 N/A SER 147.A OG ASN 162.A O no hydrogen 3.438 N/A ILE 148.A N LEU 141.A O no hydrogen 2.905 N/A VAL 149.A N PHE 160.A O no hydrogen 2.783 N/A VAL 150.A N TRP 139.A O no hydrogen 2.848 N/A GLU 151.A N ARG 158.A O no hydrogen 2.884 N/A SER 152.A OG ASP 84.A O no hydrogen 2.648 N/A THR 153.A N GLY 156.A O no hydrogen 3.009 N/A THR 153.A OG1 GLU 155.A OE1 no hydrogen 2.623 N/A THR 153.A OG1 GLY 156.A O no hydrogen 3.418 N/A LYS 154.A NZ GLU 155.A OE2 no hydrogen 2.695 N/A GLY 156.A N THR 153.A O no hydrogen 2.915 N/A ARG 158.A N GLU 151.A O no hydrogen 2.762 N/A PHE 160.A N VAL 149.A O no hydrogen 2.769 N/A ASN 162.A N SER 147.A O no hydrogen 2.949 N/A ASN 162.A ND2 VAL 166.A O no hydrogen 2.984 N/A VAL 164.A N ASN 162.A OD1 no hydrogen 3.024 N/A GLY 165.A N ASN 162.A OD1 no hydrogen 2.919 N/A LEU 167.A N ALA 3.A O no hydrogen 2.944 N/A THR 168.A OG1 SER 219.A O no hydrogen 2.769 N/A THR 168.A OG1 SER 219.A OG no hydrogen 3.127 N/A ASN 169.A N SER 219.A OG no hydrogen 2.949 N/A ASN 170.A ND2 SER 80.A O no hydrogen 2.829 N/A THR 172.A OG1 ASP 174.A OD1 no hydrogen 2.550 N/A PHE 173.A N GLU 151.A OE1 no hydrogen 2.909 N/A GLN 176.A N THR 172.A O no hydrogen 3.218 N/A LEU 177.A N PHE 173.A O no hydrogen 2.962 N/A PHE 178.A N ASP 174.A O no hydrogen 2.978 N/A ASN 179.A N TYR 175.A O no hydrogen 2.898 N/A LEU 180.A N LEU 177.A O no hydrogen 3.082 N/A ASN 181.A N PHE 178.A O no hydrogen 2.921 N/A ASN 182.A N ASN 179.A O no hydrogen 2.995 N/A TYR 183.A N LEU 180.A O no hydrogen 2.946 N/A LEU 186.A N TYR 183.A O no hydrogen 3.045 N/A SER 187.A N GLY 209.A O no hydrogen 2.947 N/A ARG 189.A N SER 187.A OG no hydrogen 2.932 N/A ASN 193.A ND2 SER 196.A O no hydrogen 3.238 N/A ASN 193.A ND2 ILE 199.A O no hydrogen 3.162 N/A SER 196.A N ASN 193.A OD1 no hydrogen 3.251 N/A GLN 198.A N SER 196.A OG no hydrogen 3.106 N/A SER 205.A OG ARG 206.A O no hydrogen 2.876 N/A GLY 210.A N GLY 207.A O no hydrogen 3.199 N/A ILE 211.A N MET 208.A O no hydrogen 3.222 N/A LEU 213.A N GLY 210.A O no hydrogen 2.873 N/A SER 218.A N ASP 216.A OD2 no hydrogen 2.829 N/A SER 218.A OG ASP 216.A OD2 no hydrogen 2.591 N/A SER 218.A OG SER 221.A OG no hydrogen 3.264 N/A SER 219.A OG THR 168.A OG1 no hydrogen 3.127 N/A SER 219.A OG ASN 170.A O no hydrogen 2.548 N/A SER 221.A OG ASP 216.A OD1 no hydrogen 2.579 N/A SER 221.A OG ASP 216.A OD2 no hydrogen 3.031 N/A SER 221.A OG SER 218.A OG no hydrogen 3.264 N/A ARG 222.A N SER 218.A O no hydrogen 2.912 N/A PHE 223.A N SER 219.A O no hydrogen 3.005 N/A VAL 224.A N VAL 220.A O no hydrogen 3.019 N/A LYS 225.A N SER 221.A O no hydrogen 2.879 N/A ALA 226.A N ARG 222.A O no hydrogen 2.825 N/A THR 227.A N PHE 223.A O no hydrogen 2.994 N/A THR 227.A OG1 PHE 223.A O no hydrogen 2.678 N/A PHE 228.A N VAL 224.A O no hydrogen 2.951 N/A THR 229.A N LYS 225.A O no hydrogen 2.918 N/A THR 229.A OG1 LYS 225.A O no hydrogen 2.711 N/A LYS 230.A N ALA 226.A O no hydrogen 2.764 N/A LYS 230.A NZ THR 5.A O no hydrogen 2.789 N/A LYS 230.A NZ THR 5.A OG1 no hydrogen 3.050 N/A LYS 230.A NZ VAL 164.A O no hydrogen 2.684 N/A LYS 230.A NZ GLY 165.A O no hydrogen 3.542 N/A LEU 231.A N THR 227.A O no hydrogen 2.962 N/A ASN 232.A N PHE 228.A O no hydrogen 3.174 N/A ASN 232.A ND2 PHE 228.A O no hydrogen 2.931 N/A SER 233.A N LYS 230.A O no hydrogen 3.206 N/A SER 233.A OG THR 229.A O no hydrogen 2.768 N/A SER 235.A OG TYR 6.A OH no hydrogen 2.744 N/A SER 235.A OG SER 8.A OG no hydrogen 2.991 N/A SER 235.A OG ARG 236.A O no hydrogen 3.343 N/A ARG 236.A N GLU 241.A OE2 no hydrogen 3.004 N/A ARG 236.A NH1 GLU 241.A OE1 no hydrogen 2.610 N/A ARG 236.A NH1 GLU 241.A OE2 no hydrogen 3.069 N/A GLU 241.A N SER 238.A OG no hydrogen 3.155 N/A SER 242.A N SER 238.A O no hydrogen 2.884 N/A SER 242.A OG SER 8.A OG no hydrogen 2.734 N/A SER 242.A OG ARG 236.A O no hydrogen 3.154 N/A SER 242.A OG SER 238.A O no hydrogen 2.761 N/A ILE 243.A N GLU 239.A O no hydrogen 2.873 N/A SER 244.A N TYR 240.A O no hydrogen 3.046 N/A GLN 245.A N GLU 241.A O no hydrogen 3.138 N/A GLN 245.A NE2 SER 233.A OG no hydrogen 2.876 N/A PHE 246.A N SER 242.A O no hydrogen 2.999 N/A PHE 247.A N ILE 243.A O no hydrogen 2.919 N/A HIS 248.A N SER 244.A O no hydrogen 2.870 N/A ILE 249.A N GLN 245.A O no hydrogen 2.921 N/A LEU 250.A N PHE 246.A O no hydrogen 3.037 N/A SER 251.A N PHE 247.A O no hydrogen 2.826 N/A SER 251.A OG PHE 247.A O no hydrogen 3.032 N/A SER 252.A N HIS 248.A O no hydrogen 3.149 N/A SER 252.A N ILE 249.A O no hydrogen 3.191 N/A SER 252.A OG ILE 249.A O no hydrogen 2.667 N/A VAL 253.A N LEU 250.A O no hydrogen 3.175 N/A GLU 254.A N SER 251.A O no hydrogen 3.291 N/A GLN 255.A N THR 270.A OG1 no hydrogen 2.774 N/A GLN 255.A NE2 ASP 18.A OD2 no hydrogen 3.118 N/A GLN 255.A NE2 GLU 268.A OE2 no hydrogen 3.040 N/A LYS 257.A N TYR 288.A OH no hydrogen 2.870 N/A LEU 259.A N GLN 256.A O no hydrogen 3.224 N/A CYS 260.A SG GLN 255.A OE1 no hydrogen 3.235 N/A VAL 262.A N LYS 266.A O no hydrogen 2.951 N/A GLY 263.A N ASP 261.A OD1 no hydrogen 2.895 N/A LYS 266.A N GLY 263.A O no hydrogen 2.927 N/A GLU 268.A N CYS 260.A O no hydrogen 3.016 N/A TYR 269.A N TYR 19.A O no hydrogen 3.008 N/A THR 270.A N GLN 255.A O no hydrogen 3.027 N/A THR 270.A OG1 ASP 18.A OD1 no hydrogen 2.532 N/A ILE 271.A N PHE 17.A O no hydrogen 2.837 N/A TYR 272.A OH ASP 65.A OD1 no hydrogen 2.652 N/A SER 273.A N ARG 286.A O no hydrogen 2.909 N/A SER 273.A OG ASN 16.A OD1 no hydrogen 2.690 N/A SER 274.A N ARG 15.A O no hydrogen 2.807 N/A SER 274.A OG ARG 15.A O no hydrogen 3.486 N/A CYS 275.A N TYR 284.A O no hydrogen 2.760 N/A CYS 276.A N PHE 13.A O no hydrogen 2.758 N/A ASN 277.A N ILE 282.A O no hydrogen 2.872 N/A ASN 277.A ND2 ASP 10.A OD2 no hydrogen 2.836 N/A ASN 277.A ND2 GLU 239.A OE1 no hydrogen 3.047 N/A ASN 277.A ND2 GLU 239.A OE2 no hydrogen 3.193 N/A LEU 278.A N HIS 11.A O no hydrogen 2.896 N/A GLU 279.A N GLU 279.A OE1 no hydrogen 2.901 N/A LYS 280.A N ASN 277.A OD1 no hydrogen 2.937 N/A GLY 281.A N ASN 277.A O no hydrogen 2.870 N/A TYR 283.A N VAL 296.A O no hydrogen 2.919 N/A TYR 283.A OH ASP 65.A OD2 no hydrogen 2.485 N/A TYR 284.A N CYS 275.A O no hydrogen 2.755 N/A TYR 284.A OH GLU 239.A OE2 no hydrogen 2.550 N/A TYR 285.A N THR 294.A O no hydrogen 2.859 N/A ARG 286.A N SER 273.A O no hydrogen 2.885 N/A ARG 286.A NE SER 291.A O no hydrogen 2.989 N/A ARG 286.A NH2 SER 291.A OG no hydrogen 2.903 N/A THR 287.A N ASN 290.A O no hydrogen 3.059 N/A THR 287.A OG1 VAL 314.A O no hydrogen 3.405 N/A TYR 288.A N ILE 271.A O no hydrogen 2.993 N/A ASN 290.A N THR 287.A O no hydrogen 3.268 N/A ASN 290.A ND2 VAL 314.A O no hydrogen 3.492 N/A SER 291.A N GLN 317.A OE1 no hydrogen 2.935 N/A GLN 292.A N ASN 290.A OD1 no hydrogen 3.263 N/A THR 294.A N TYR 285.A O no hydrogen 2.877 N/A VAL 296.A N TYR 283.A O no hydrogen 2.878 N/A MET 298.A N GLY 281.A O no hydrogen 2.976 N/A ASN 299.A N ASP 297.A OD1 no hydrogen 2.832 N/A LYS 300.A N ASP 297.A O no hydrogen 3.110 N/A GLU 301.A N MET 298.A O no hydrogen 3.058 N/A GLU 304.A N ASN 302.A OD1 no hydrogen 2.976 N/A LYS 305.A N ASN 302.A O no hydrogen 3.247 N/A ILE 309.A N ILE 29.A O no hydrogen 3.005 N/A TYR 311.A N VAL 27.A O no hydrogen 2.767 N/A TYR 311.A OH GLU 301.A OE2 no hydrogen 2.445 N/A VAL 314.A N TYR 285.A OH no hydrogen 2.901 N/A GLN 318.A N ASN 290.A OD1 no hydrogen 3.061 N/A GLN 318.A NE2 THR 316.A O no hydrogen 3.050 N/A