Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3wsu_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 2.A N GLU 116.A O no hydrogen 2.918 N/A HIS 3.A N LEU 10.A O no hydrogen 2.894 N/A HIS 3.A ND1 GLY 1.A O no hydrogen 2.883 N/A VAL 4.A N ASN 186.A OD1 no hydrogen 2.849 N/A GLN 5.A N ARG 8.A O no hydrogen 3.013 N/A ARG 8.A N GLN 5.A O no hydrogen 2.987 N/A ARG 8.A NE ASP 16.A OD2 no hydrogen 2.846 N/A ARG 8.A NH1 LEU 244.A O no hydrogen 3.554 N/A ARG 8.A NH1 ARG 245.A O no hydrogen 3.122 N/A ARG 8.A NH2 ASP 16.A OD1 no hydrogen 2.882 N/A ARG 8.A NH2 ASP 16.A OD2 no hydrogen 3.563 N/A ARG 8.A NH2 ARG 245.A O no hydrogen 2.936 N/A LEU 10.A N HIS 3.A O no hydrogen 2.737 N/A GLU 11.A N ASN 15.A O no hydrogen 2.893 N/A ASN 13.A ND2 THR 294.A OG1 no hydrogen 2.982 N/A GLY 14.A N GLU 11.A O no hydrogen 2.789 N/A ASN 15.A N ASN 13.A OD1 no hydrogen 2.969 N/A ASN 15.A ND2 THR 294.A OG1 no hydrogen 3.023 N/A PHE 17.A N LEU 9.A O no hydrogen 2.909 N/A ARG 20.A N ASN 45.A OD1 no hydrogen 2.754 N/A ARG 20.A NE THR 289.A OG1 no hydrogen 2.900 N/A ARG 20.A NH1 MET 19.A O no hydrogen 2.856 N/A ARG 20.A NH1 LEU 246.A O no hydrogen 2.761 N/A ARG 20.A NH2 ALA 241.A O no hydrogen 3.225 N/A ARG 20.A NH2 GLU 242.A OE1 no hydrogen 2.668 N/A ARG 20.A NH2 LEU 246.A O no hydrogen 3.429 N/A GLY 21.A N TYR 248.A O no hydrogen 3.106 N/A ASN 23.A N ALA 250.A O no hydrogen 2.851 N/A ASN 23.A ND2 GLY 220.A O no hydrogen 3.125 N/A ASN 23.A ND2 ALA 250.A O no hydrogen 3.011 N/A HIS 24.A N ARG 48.A O no hydrogen 2.841 N/A HIS 26.A N HIS 24.A O no hydrogen 2.866 N/A HIS 26.A NE2 ASP 64.A OD2 no hydrogen 2.811 N/A THR 27.A N VAL 50.A O no hydrogen 2.952 N/A THR 27.A OG1 ASN 60.A OD1 no hydrogen 2.793 N/A TRP 28.A N ALA 25.A O no hydrogen 3.248 N/A TYR 29.A N ALA 25.A O no hydrogen 3.169 N/A TYR 29.A N HIS 26.A O no hydrogen 3.016 N/A TYR 29.A OH GLY 255.A O no hydrogen 2.571 N/A GLN 32.A N TYR 29.A O no hydrogen 3.084 N/A SER 35.A N GLN 32.A O no hydrogen 3.312 N/A SER 35.A OG GLN 32.A O no hydrogen 3.038 N/A ASP 38.A N ARG 34.A O no hydrogen 2.997 N/A ILE 39.A N SER 35.A O no hydrogen 2.814 N/A LYS 40.A N LEU 36.A O no hydrogen 2.937 N/A LYS 40.A NZ ARG 76.A O no hydrogen 2.968 N/A LYS 40.A NZ GLU 292.A OE2 no hydrogen 2.737 N/A ALA 41.A N ALA 37.A O no hydrogen 2.934 N/A LEU 42.A N ASP 38.A O no hydrogen 3.171 N/A LEU 42.A N ILE 39.A O no hydrogen 3.234 N/A GLY 43.A N LYS 40.A O no hydrogen 2.843 N/A ALA 44.A N ILE 39.A O no hydrogen 3.341 N/A ASN 45.A N ARG 20.A O no hydrogen 2.940 N/A ASN 45.A ND2 VAL 18.A O no hydrogen 3.010 N/A ASN 45.A ND2 ARG 291.A O.A no hydrogen 2.724 N/A ASN 45.A ND2 ARG 291.A O.B no hydrogen 2.763 N/A THR 46.A OG1 ASN 45.A OD1 no hydrogen 2.823 N/A VAL 47.A N ILE 78.A O no hydrogen 2.921 N/A ARG 48.A N VAL 22.A O no hydrogen 2.980 N/A ARG 48.A NE ASN 122.A OD1 no hydrogen 2.847 N/A ARG 48.A NH1 ASN 23.A OD1 no hydrogen 2.793 N/A ARG 48.A NH1 GLU 221.A OE2 no hydrogen 2.894 N/A ARG 48.A NH2 ASN 122.A OD1 no hydrogen 2.931 N/A ARG 48.A NH2 ASN 125.A OD1 no hydrogen 2.768 N/A VAL 49.A N VAL 80.A O no hydrogen 2.729 N/A VAL 50.A N HIS 24.A O no hydrogen 3.020 N/A LEU 51.A N GLU 82.A O no hydrogen 2.852 N/A SER 52.A N ASN 60.A OD1 no hydrogen 2.883 N/A SER 52.A OG ASP 85.A OD1 no hydrogen 3.134 N/A SER 52.A OG ASP 85.A OD2 no hydrogen 2.837 N/A ASP 53.A N ASP 85.A OD1 no hydrogen 2.858 N/A GLY 54.A N SER 52.A OG no hydrogen 2.995 N/A HIS 55.A N ASP 53.A OD1 no hydrogen 2.920 N/A ARG 56.A N ASP 85.A OD2 no hydrogen 2.813 N/A TRP 57.A N ASP 85.A OD2 no hydrogen 2.987 N/A ARG 59.A NH1.B SER 107.A OG no hydrogen 2.793 N/A ASN 60.A N SER 52.A O no hydrogen 2.986 N/A ASN 60.A ND2 ASP 64.A OD2 no hydrogen 3.033 N/A VAL 65.A N GLY 61.A O no hydrogen 2.978 N/A ALA 66.A N PRO 62.A O no hydrogen 2.807 N/A ALA 67.A N ALA 63.A O no hydrogen 2.988 N/A VAL 68.A N ASP 64.A O no hydrogen 2.929 N/A ILE 69.A N VAL 65.A O no hydrogen 2.909 N/A ASP 70.A N ALA 66.A O no hydrogen 2.948 N/A ARG 71.A N ALA 67.A O no hydrogen 2.879 N/A CYS 72.A N VAL 68.A O no hydrogen 2.938 N/A CYS 72.A SG VAL 68.A O no hydrogen 3.483 N/A LYS 73.A N ILE 69.A O no hydrogen 3.037 N/A LYS 73.A NZ GLN 115.A OE1 no hydrogen 2.939 N/A ALA 74.A N ASP 70.A O no hydrogen 2.833 N/A ASN 75.A N ARG 71.A O no hydrogen 3.111 N/A ASN 75.A N CYS 72.A O no hydrogen 3.063 N/A ASN 75.A ND2 ARG 71.A O no hydrogen 2.878 N/A ARG 76.A N LYS 73.A O no hydrogen 2.995 N/A ARG 76.A NE GLU 292.A OE1 no hydrogen 3.365 N/A ARG 76.A NE GLU 292.A OE2 no hydrogen 2.900 N/A ARG 76.A NH1 GLU 292.A OE1 no hydrogen 2.781 N/A LEU 77.A N CYS 72.A O no hydrogen 2.976 N/A ILE 78.A N ASN 45.A O no hydrogen 2.946 N/A CYS 79.A N TYR 118.A O no hydrogen 2.838 N/A VAL 80.A N VAL 47.A O no hydrogen 2.845 N/A LEU 81.A N ILE 120.A O no hydrogen 2.942 N/A GLU 82.A N VAL 49.A O no hydrogen 3.177 N/A HIS 84.A N LEU 51.A O no hydrogen 2.945 N/A HIS 84.A ND1 GLU 82.A OE1 no hydrogen 2.658 N/A THR 86.A OG1 VAL 83.A O no hydrogen 3.403 N/A THR 86.A OG1 ASN 125.A O no hydrogen 2.798 N/A THR 87.A N HIS 84.A O no hydrogen 3.103 N/A THR 87.A OG1 HIS 84.A O no hydrogen 2.670 N/A GLY 88.A N GLU 126.A O no hydrogen 2.869 N/A TYR 89.A N THR 86.A O no hydrogen 3.223 N/A GLU 91.A N GLY 88.A O no hydrogen 2.953 N/A GLU 92.A N GLY 88.A O no hydrogen 2.869 N/A ALA 94.A N GLU 92.A OE2 no hydrogen 2.850 N/A ALA 95.A N GLU 92.A O no hydrogen 3.151 N/A GLY 96.A N ASP 85.A O no hydrogen 2.845 N/A HIS 100.A N THR 97.A OG1 no hydrogen 3.004 N/A HIS 100.A ND1 ASP 53.A OD2 no hydrogen 2.765 N/A ALA 101.A N THR 97.A O no hydrogen 3.101 N/A ALA 102.A N LEU 98.A O no hydrogen 2.833 N/A ASP 103.A N ASP 99.A O no hydrogen 2.978 N/A TYR 104.A N HIS 100.A O no hydrogen 3.128 N/A TYR 104.A OH ASN 60.A O no hydrogen 2.680 N/A TRP 105.A N ALA 101.A O no hydrogen 2.974 N/A TRP 105.A NE1 ILE 123.A O no hydrogen 2.826 N/A ILE 106.A N ALA 102.A O no hydrogen 2.969 N/A SER 107.A N ASP 103.A O no hydrogen 3.030 N/A SER 107.A OG TYR 104.A O no hydrogen 2.664 N/A LEU 108.A N TYR 104.A O no hydrogen 3.172 N/A LEU 108.A N TRP 105.A O no hydrogen 2.994 N/A MET 109.A N ILE 106.A O no hydrogen 3.172 N/A VAL 111.A N LEU 108.A O no hydrogen 2.976 N/A LEU 112.A N LEU 108.A O no hydrogen 2.905 N/A GLN 115.A N LEU 112.A O no hydrogen 3.050 N/A GLN 115.A NE2 ALA 113.A O no hydrogen 3.482 N/A GLU 116.A N GLU 116.A OE1 no hydrogen 2.757 N/A TYR 118.A N GLN 115.A O no hydrogen 2.845 N/A VAL 119.A N GLN 115.A O no hydrogen 2.919 N/A ILE 120.A N CYS 79.A O no hydrogen 2.863 N/A VAL 121.A N THR 155.A O no hydrogen 3.006 N/A ASN 122.A N LEU 81.A O no hydrogen 2.830 N/A ASN 122.A ND2 MET 157.A O no hydrogen 2.923 N/A ASN 122.A ND2 ASP 159.A OD1 no hydrogen 2.957 N/A ILE 123.A N MET 157.A O no hydrogen 3.126 N/A ASN 125.A N VAL 83.A O no hydrogen 2.845 N/A ASN 125.A ND2 THR 87.A OG1 no hydrogen 2.806 N/A GLU 126.A N ASP 159.A OD2 no hydrogen 2.944 N/A TRP 128.A NE1 THR 131.A O no hydrogen 2.920 N/A GLY 129.A N TYR 89.A O no hydrogen 2.918 N/A ASN 130.A N GLU 91.A OE1 no hydrogen 2.741 N/A GLY 135.A N ASP 132.A O no hydrogen 2.896 N/A TRP 136.A N PRO 133.A O no hydrogen 3.021 N/A TRP 136.A NE1 ASP 159.A O no hydrogen 2.816 N/A THR 137.A OG1 ASP 174.A OD2 no hydrogen 2.633 N/A THR 140.A N TRP 136.A O no hydrogen 3.182 N/A THR 140.A OG1 TRP 136.A O no hydrogen 2.842 N/A ILE 141.A N THR 137.A O no hydrogen 2.850 N/A ALA 142.A N ALA 138.A O no hydrogen 2.873 N/A ALA 143.A N PRO 139.A O no hydrogen 2.920 N/A VAL 144.A N THR 140.A O no hydrogen 3.054 N/A LYS 145.A N ILE 141.A O no hydrogen 3.048 N/A LYS 146.A N ALA 142.A O no hydrogen 2.882 N/A LYS 146.A NZ ASP 99.A OD1 no hydrogen 2.805 N/A LYS 146.A NZ ASP 103.A OD1 no hydrogen 2.796 N/A LEU 147.A N ALA 143.A O no hydrogen 2.968 N/A ARG 148.A N VAL 144.A O no hydrogen 3.036 N/A ARG 148.A NE ASP 182.A OD1 no hydrogen 2.886 N/A ARG 148.A NE ASP 182.A OD2 no hydrogen 3.364 N/A ARG 148.A NH1 LEU 152.A O no hydrogen 2.839 N/A ARG 148.A NH1 HIS 154.A O no hydrogen 2.767 N/A ARG 148.A NH2 HIS 154.A O no hydrogen 3.044 N/A ARG 148.A NH2 ASP 182.A OD2 no hydrogen 2.856 N/A ALA 149.A N LYS 145.A O no hydrogen 2.804 N/A ALA 150.A N LYS 146.A O no hydrogen 2.999 N/A GLY 151.A N ARG 148.A O no hydrogen 3.001 N/A LEU 152.A N LEU 147.A O no hydrogen 3.171 N/A HIS 154.A NE2 LEU 112.A O no hydrogen 2.764 N/A THR 155.A OG1 LEU 2.A O no hydrogen 2.748 N/A LEU 156.A N ASN 186.A O no hydrogen 2.933 N/A MET 157.A N VAL 121.A O no hydrogen 2.824 N/A ILE 158.A N LEU 188.A O no hydrogen 2.804 N/A ASN 162.A N GLY 129.A O no hydrogen 2.927 N/A ASN 162.A ND2 ASN 130.A OD1 no hydrogen 2.852 N/A ASN 162.A ND2 GLN 168.A OE1 no hydrogen 3.042 N/A TRP 163.A N TRP 128.A O no hydrogen 2.840 N/A TRP 163.A NE1 GLU 91.A OE1 no hydrogen 2.979 N/A GLY 164.A N ALA 160.A O no hydrogen 3.141 N/A GLN 165.A N ASN 162.A O no hydrogen 3.123 N/A ASP 166.A N PRO 161.A O no hydrogen 3.088 N/A GLN 168.A N ASN 162.A OD1 no hydrogen 3.188 N/A GLY 169.A N ASP 166.A O no hydrogen 2.816 N/A MET 171.A N ASP 166.A OD1 no hydrogen 2.797 N/A ARG 172.A N ASP 166.A OD2 no hydrogen 2.963 N/A ALA 173.A N GLY 169.A O no hydrogen 2.892 N/A ASP 174.A N VAL 170.A O no hydrogen 2.873 N/A SER 177.A OG ASP 174.A O no hydrogen 2.706 N/A VAL 178.A N ASP 174.A O no hydrogen 3.077 N/A TYR 179.A N ALA 175.A O no hydrogen 2.737 N/A TYR 179.A OH GLY 185.A O no hydrogen 2.544 N/A GLU 180.A N ARG 176.A O no hydrogen 2.934 N/A ALA 181.A N VAL 178.A O no hydrogen 3.069 N/A ASP 182.A N TYR 179.A O no hydrogen 3.086 N/A THR 184.A N ASP 182.A OD1 no hydrogen 2.927 N/A THR 184.A OG1 ASP 182.A OD1 no hydrogen 2.772 N/A THR 184.A OG1 ASP 182.A OD2 no hydrogen 3.308 N/A GLY 185.A N ASP 182.A O no hydrogen 2.909 N/A ASN 186.A N THR 184.A OG1 no hydrogen 3.072 N/A LEU 188.A N LEU 156.A O no hydrogen 2.741 N/A PHE 189.A N PRO 216.A O no hydrogen 3.036 N/A SER 190.A N ILE 158.A O no hydrogen 2.827 N/A ILE 191.A N VAL 218.A O no hydrogen 2.972 N/A HIS 192.A N GLY 164.A O no hydrogen 2.914 N/A HIS 192.A ND1 GLU 126.A OE2 no hydrogen 2.661 N/A MET 193.A N GLU 221.A O no hydrogen 2.918 N/A TYR 194.A N GLN 165.A OE1 no hydrogen 2.926 N/A TYR 194.A OH GLU 221.A OE1 no hydrogen 2.640 N/A SER 195.A OG.A ASP 227.A OD1 no hydrogen 2.706 N/A SER 195.A OG.A GLY 230.A O no hydrogen 2.783 N/A SER 195.A OG.B ASP 227.A OD1 no hydrogen 3.259 N/A VAL 196.A N GLN 165.A OE1 no hydrogen 3.152 N/A PHE 197.A N TYR 194.A O no hydrogen 2.844 N/A GLU 202.A N THR 199.A OG1 no hydrogen 3.395 N/A ILE 203.A N THR 199.A O no hydrogen 3.326 N/A ASP 204.A N ALA 200.A O no hydrogen 2.878 N/A ASP 205.A N ALA 201.A O no hydrogen 2.872 N/A TYR 206.A N GLU 202.A O no hydrogen 3.248 N/A TYR 206.A OH ASP 166.A OD2 no hydrogen 2.668 N/A LEU 207.A N ILE 203.A O no hydrogen 3.054 N/A GLU 208.A N ASP 204.A O no hydrogen 2.951 N/A ALA 209.A N ASP 205.A O no hydrogen 3.008 N/A VAL 211.A N LEU 207.A O no hydrogen 3.068 N/A ASP 212.A N GLU 208.A O no hydrogen 2.799 N/A ALA 213.A N PHE 210.A O no hydrogen 3.037 N/A GLY 214.A N VAL 211.A O no hydrogen 3.000 N/A LEU 215.A N PHE 210.A O no hydrogen 3.038 N/A VAL 218.A N PHE 189.A O no hydrogen 2.841 N/A ILE 219.A N GLY 247.A O no hydrogen 2.836 N/A GLY 220.A N ILE 191.A O no hydrogen 3.095 N/A GLY 223.A N MET 193.A O no hydrogen 3.095 N/A ASP 227.A N GLY 230.A O no hydrogen 2.891 N/A TRP 229.A N ASP 227.A OD1 no hydrogen 2.813 N/A GLY 230.A N ASP 227.A O no hydrogen 3.322 N/A GLY 230.A N ASP 227.A OD1 no hydrogen 3.163 N/A ASP 233.A N PHE 197.A O no hydrogen 3.002 N/A GLU 234.A N GLU 234.A OE1 no hydrogen 2.783 N/A THR 236.A N ASP 233.A OD1 no hydrogen 3.201 N/A THR 236.A OG1 ASP 233.A OD2 no hydrogen 2.567 N/A MET 237.A N ASP 233.A O no hydrogen 3.176 N/A LEU 238.A N GLU 234.A O no hydrogen 2.920 N/A ALA 239.A N ASP 235.A O no hydrogen 3.040 N/A ALA 240.A N THR 236.A O no hydrogen 2.731 N/A ALA 241.A N MET 237.A O no hydrogen 2.889 N/A GLU 242.A N LEU 238.A O no hydrogen 3.024 N/A ARG 243.A N ALA 239.A O no hydrogen 2.901 N/A ARG 243.A NH1 GLU 208.A OE2 no hydrogen 3.316 N/A ARG 243.A NH2 ASP 204.A OD1 no hydrogen 3.183 N/A ARG 243.A NH2 GLU 208.A OE2 no hydrogen 2.789 N/A LEU 244.A N ALA 240.A O no hydrogen 2.873 N/A ARG 245.A N GLU 242.A O no hydrogen 3.297 N/A ARG 245.A NH1 GLU 242.A OE1 no hydrogen 2.631 N/A LEU 246.A N ALA 241.A O no hydrogen 2.890 N/A TYR 248.A N MET 19.A O no hydrogen 2.852 N/A TYR 248.A OH HIS 284.A O no hydrogen 2.679 N/A LEU 249.A N ILE 219.A O no hydrogen 2.816 N/A ALA 250.A N GLY 21.A O no hydrogen 2.922 N/A TRP 251.A N PHE 222.A O no hydrogen 3.132 N/A TRP 251.A NE1 ASN 256.A OD1 no hydrogen 2.777 N/A SER 252.A N LEU 261.A O no hydrogen 3.000 N/A TRP 253.A N ASN 23.A O no hydrogen 2.792 N/A SER 254.A OG ASP 262.A OD2 no hydrogen 3.481 N/A SER 254.A OG ALA 264.A O no hydrogen 2.660 N/A GLY 255.A N ASP 262.A OD2 no hydrogen 3.043 N/A ASN 256.A N ASP 262.A OD1 no hydrogen 2.936 N/A ASN 256.A ND2 SER 252.A OG no hydrogen 2.862 N/A ASN 256.A ND2 ASP 262.A OD1 no hydrogen 2.891 N/A VAL 260.A N ASP 258.A OD1 no hydrogen 3.101 N/A ASP 262.A N PRO 259.A O no hydrogen 2.968 N/A LEU 263.A N SER 252.A O no hydrogen 2.902 N/A ALA 264.A N TRP 253.A O no hydrogen 2.825 N/A ILE 265.A N ARG 271.A O no hydrogen 2.827 N/A PHE 267.A N SER 254.A OG no hydrogen 3.012 N/A ASP 268.A N ILE 265.A O no hydrogen 3.048 N/A ASP 270.A N ASP 268.A OD1 no hydrogen 2.992 N/A ARG 271.A N ASP 268.A O no hydrogen 2.918 N/A SER 273.A N LEU 263.A O no hydrogen 2.947 N/A SER 273.A OG ASP 262.A O no hydrogen 2.702 N/A SER 273.A OG LEU 263.A O no hydrogen 3.243 N/A TRP 275.A NE1 TRP 251.A O no hydrogen 2.900 N/A GLY 276.A N SER 273.A OG no hydrogen 2.976 N/A GLN 277.A N SER 273.A O no hydrogen 2.859 N/A GLN 277.A NE2 LEU 272.A O no hydrogen 3.253 N/A ARG 278.A N GLY 274.A O no hydrogen 2.955 N/A ARG 278.A NE ASP 235.A OD1 no hydrogen 2.937 N/A ARG 278.A NH1 ARG 278.A O no hydrogen 2.940 N/A ARG 278.A NH1 VAL 283.A O no hydrogen 2.864 N/A ARG 278.A NH2 ASP 235.A OD1 no hydrogen 2.899 N/A ARG 278.A NH2 VAL 283.A O no hydrogen 3.204 N/A VAL 279.A N TRP 275.A O no hydrogen 3.018 N/A PHE 280.A N GLY 276.A O no hydrogen 2.880 N/A HIS 281.A N GLN 277.A O no hydrogen 2.798 N/A GLY 282.A N ARG 278.A O no hydrogen 3.118 N/A HIS 284.A N GLU 288.A OE2 no hydrogen 2.878 N/A GLY 285.A N GLY 282.A O no hydrogen 2.979 N/A ILE 286.A N VAL 279.A O no hydrogen 2.851 N/A GLY 287.A N PHE 280.A O no hydrogen 2.864 N/A THR 289.A N GLY 285.A O no hydrogen 2.969 N/A THR 289.A N ILE 286.A O no hydrogen 3.261 N/A THR 289.A OG1 GLY 285.A O no hydrogen 2.769 N/A SER 290.A N ILE 286.A O no hydrogen 2.954 N/A SER 290.A OG GLY 43.A O no hydrogen 2.734 N/A THR 294.A N GLU 11.A OE2 no hydrogen 2.776 N/A THR 294.A OG1 GLU 11.A OE2 no hydrogen 2.705 N/A VAL 295.A N GLU 11.A OE1 no hydrogen 2.911 N/A PHE 296.A N ALA 293.A O no hydrogen 3.432 N/A GLY 297.A N THR 294.A O no hydrogen 2.966 N/A