Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3u0s_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 6.A N ARG 275.A O no hydrogen 3.048 N/A THR 11.A N LYS 307.A O no hydrogen 2.753 N/A LYS 12.A NZ GLU 15.A OE1 no hydrogen 2.882 N/A VAL 13.A N VAL 305.A O no hydrogen 2.781 N/A THR 14.A N VAL 305.A O no hydrogen 3.313 N/A THR 14.A OG1 GLY 69.A O no hydrogen 2.761 N/A ILE 17.A N ASN 303.A O no hydrogen 2.977 N/A ALA 20.A N ILE 17.A O no hydrogen 3.156 N/A THR 21.A N VAL 34.A O no hydrogen 2.864 N/A VAL 24.A N TYR 32.A O no hydrogen 3.087 N/A ASP 26.A N ASP 30.A O no hydrogen 2.915 N/A ASN 28.A N ASP 26.A OD1 no hydrogen 2.988 N/A GLY 29.A N ASP 26.A O no hydrogen 3.157 N/A ASP 30.A N ASP 26.A OD1 no hydrogen 2.930 N/A TYR 32.A N VAL 24.A O no hydrogen 2.840 N/A TYR 32.A OH ASP 26.A OD2 no hydrogen 2.616 N/A ILE 33.A N LEU 62.A O no hydrogen 2.972 N/A VAL 34.A N THR 21.A O no hydrogen 2.842 N/A ALA 35.A N GLU 60.A O no hydrogen 2.788 N/A SER 36.A N PRO 18.A O no hydrogen 2.751 N/A SER 36.A OG SER 39.A OG no hydrogen 2.715 N/A SER 39.A N SER 36.A OG no hydrogen 2.886 N/A SER 39.A OG SER 36.A OG no hydrogen 2.715 N/A GLU 40.A N SER 36.A O no hydrogen 3.264 N/A ALA 41.A N PRO 37.A O no hydrogen 2.928 N/A LEU 42.A N LEU 38.A O no hydrogen 2.999 N/A THR 43.A N SER 39.A O no hydrogen 3.230 N/A THR 43.A N GLU 40.A O no hydrogen 3.084 N/A THR 43.A OG1 GLU 40.A O no hydrogen 3.170 N/A LYS 44.A NZ.A GLU 50.A OE2 no hydrogen 2.809 N/A GLU 50.A N ASN 46.A O no hydrogen 3.041 N/A ALA 51.A N SER 47.A O no hydrogen 3.007 N/A TYR 52.A N PRO 48.A O no hydrogen 3.375 N/A TYR 52.A OH ASP 156.A OD2 no hydrogen 3.335 N/A LYS 53.A N ALA 49.A O no hydrogen 3.297 N/A ALA 54.A N GLU 50.A O no hydrogen 2.911 N/A SER 55.A N ALA 51.A O no hydrogen 2.877 N/A SER 55.A N TYR 52.A O no hydrogen 3.218 N/A SER 55.A OG TYR 52.A O no hydrogen 2.652 N/A ARG 56.A N.A LYS 53.A O no hydrogen 3.092 N/A ARG 56.A N.B LYS 53.A O no hydrogen 3.096 N/A GLY 57.A N ALA 54.A O no hydrogen 3.127 N/A GLY 59.A N GLY 84.A O no hydrogen 2.909 N/A GLU 60.A N ALA 35.A O no hydrogen 3.126 N/A ILE 61.A N CYS 75.A O no hydrogen 2.870 N/A LEU 62.A N ILE 33.A O no hydrogen 2.768 N/A ARG 63.A N THR 72.A O no hydrogen 2.657 N/A ILE 64.A N PHE 31.A O no hydrogen 2.885 N/A ASP 65.A N LYS 70.A O.A no hydrogen 3.078 N/A ASP 65.A N LYS 70.A O.B no hydrogen 3.121 N/A ASP 65.A N LYS 70.A O.D no hydrogen 3.054 N/A LYS 67.A N.B ASP 65.A OD1 no hydrogen 3.465 N/A THR 68.A OG1 ASP 65.A OD2 no hydrogen 2.963 N/A GLY 69.A N ASP 65.A O no hydrogen 2.820 N/A LYS 70.A N.A THR 68.A OG1 no hydrogen 3.119 N/A LYS 70.A N.B THR 68.A OG1 no hydrogen 3.124 N/A LYS 70.A N.D THR 68.A OG1 no hydrogen 3.111 N/A LYS 71.A NZ GLU 15.A O no hydrogen 2.587 N/A LYS 71.A NZ ASP 16.A O no hydrogen 3.016 N/A THR 72.A N ARG 63.A O no hydrogen 2.857 N/A ILE 74.A N ILE 61.A O no hydrogen 2.768 N/A CYS 75.A N ILE 61.A O no hydrogen 3.330 N/A CYS 75.A SG GLY 114.A O no hydrogen 3.573 N/A VAL 79.A N TYR 82.A O no hydrogen 2.954 N/A GLY 81.A N GLU 78.A OE1 no hydrogen 2.722 N/A TYR 82.A N VAL 79.A O no hydrogen 2.883 N/A GLY 84.A N PRO 77.A O no hydrogen 2.840 N/A SER 85.A N ASP 102.A OD1 no hydrogen 2.727 N/A ILE 87.A N ALA 101.A O no hydrogen 2.841 N/A GLY 88.A N ALA 133.A O no hydrogen 2.714 N/A CYS 89.A SG GLY 22.A O no hydrogen 3.589 N/A GLN 90.A N PHE 99.A O no hydrogen 2.933 N/A CYS 91.A SG ASP 92.A O no hydrogen 3.443 N/A CYS 91.A SG GLN 97.A O no hydrogen 3.780 N/A ASP 92.A N GLN 97.A O no hydrogen 2.944 N/A ARG 93.A N ASP 92.A OD1 no hydrogen 2.858 N/A ARG 93.A NE ASP 94.A OD1 no hydrogen 2.896 N/A ARG 93.A NH2 ASP 94.A OD1 no hydrogen 3.493 N/A ARG 93.A NH2 ASP 94.A OD2 no hydrogen 2.988 N/A GLN 97.A N ALA 95.A O no hydrogen 3.022 N/A GLN 97.A NE2 ASP 92.A OD2 no hydrogen 2.895 N/A LEU 98.A N VAL 110.A O no hydrogen 2.993 N/A PHE 99.A N GLN 90.A O no hydrogen 2.747 N/A VAL 100.A N LEU 108.A O no hydrogen 2.865 N/A ALA 101.A N GLY 88.A O no hydrogen 2.916 N/A ASP 102.A N GLY 106.A O no hydrogen 2.710 N/A MET 103.A N SER 85.A O no hydrogen 2.790 N/A ARG 104.A N ASP 102.A OD1 no hydrogen 2.749 N/A ARG 104.A NH1 ALA 155.A O no hydrogen 3.115 N/A ARG 104.A NH2 ALA 155.A O no hydrogen 2.997 N/A LEU 105.A N ASP 102.A OD1 no hydrogen 2.797 N/A GLY 106.A N ASP 102.A O no hydrogen 2.901 N/A LEU 108.A N VAL 100.A O no hydrogen 2.828 N/A VAL 109.A N GLU 117.A O no hydrogen 2.956 N/A VAL 110.A N LEU 98.A O no hydrogen 2.933 N/A GLN 111.A N THR 115.A O no hydrogen 2.807 N/A GLY 114.A N GLN 111.A O no hydrogen 2.861 N/A THR 115.A N ASP 113.A OD1 no hydrogen 2.959 N/A THR 115.A OG1 ASP 113.A OD1 no hydrogen 3.070 N/A GLU 117.A N VAL 109.A O no hydrogen 2.897 N/A ILE 119.A N LEU 107.A O no hydrogen 2.935 N/A LYS 121.A NZ.A GLU 118.A OE1 no hydrogen 3.405 N/A ASP 123.A N ARG 127.A O no hydrogen 2.765 N/A SER 124.A N MET 177.A O no hydrogen 2.761 N/A SER 124.A OG MET 177.A O no hydrogen 3.455 N/A GLU 125.A N ASP 123.A OD1 no hydrogen 2.875 N/A GLY 126.A N ASP 123.A O no hydrogen 3.039 N/A ARG 127.A N ASP 123.A OD1 no hydrogen 3.007 N/A ARG 127.A NE ASP 123.A OD2 no hydrogen 2.726 N/A ARG 127.A NH2 ASP 123.A OD2 no hydrogen 3.365 N/A ARG 128.A NH1 GLU 151.A OE1 no hydrogen 2.763 N/A MET 129.A N LYS 121.A O.A no hydrogen 2.941 N/A MET 129.A N LYS 121.A O.B no hydrogen 2.907 N/A GLN 130.A NE2 ALA 149.A O no hydrogen 2.990 N/A GLN 130.A NE2 PHE 165.A O no hydrogen 2.786 N/A GLY 131.A N GLY 150.A O no hydrogen 2.860 N/A CYS 132.A N ASP 102.A O no hydrogen 2.864 N/A CYS 132.A SG GLN 130.A O no hydrogen 3.554 N/A ALA 133.A N THR 146.A O no hydrogen 2.890 N/A TYR 134.A N THR 146.A OG1 no hydrogen 3.298 N/A CYS 135.A SG GLY 88.A O no hydrogen 3.906 N/A CYS 135.A SG PHE 99.A O no hydrogen 4.036 N/A ALA 136.A N TRP 144.A O no hydrogen 2.733 N/A ASP 138.A N ASN 142.A O no hydrogen 2.844 N/A TYR 139.A OH LYS 316.A O no hydrogen 2.498 N/A GLY 141.A N ASP 138.A O no hydrogen 2.926 N/A ASN 142.A N ASP 138.A OD1 no hydrogen 2.908 N/A ASN 142.A ND2 ASP 138.A OD2 no hydrogen 3.415 N/A LEU 143.A N PHE 171.A O no hydrogen 2.955 N/A TRP 144.A N ALA 136.A O no hydrogen 2.778 N/A TRP 144.A NE1 ASP 138.A OD2 no hydrogen 2.911 N/A ILE 145.A N TYR 169.A O no hydrogen 2.813 N/A THR 146.A N TYR 134.A O no hydrogen 2.882 N/A THR 146.A OG1 TYR 134.A O no hydrogen 3.368 N/A THR 146.A OG1 ALA 188.A O no hydrogen 2.694 N/A ALA 147.A N SER 167.A O no hydrogen 2.682 N/A ALA 149.A N GLY 131.A O no hydrogen 3.308 N/A GLY 150.A N THR 158.A O no hydrogen 2.866 N/A VAL 152.A N MET 129.A O no hydrogen 2.857 N/A ALA 153.A N ARG 104.A O no hydrogen 2.805 N/A ALA 155.A N VAL 152.A O no hydrogen 3.199 N/A SER 160.A N PRO 148.A O no hydrogen 2.977 N/A SER 160.A OG PRO 148.A O no hydrogen 2.980 N/A LYS 164.A NZ GLU 207.A OE2 no hydrogen 3.434 N/A PHE 165.A N GLU 163.A O no hydrogen 3.180 N/A GLY 166.A N PHE 184.A O no hydrogen 2.946 N/A SER 167.A N ALA 147.A O no hydrogen 2.861 N/A SER 167.A OG GLN 130.A OE1 no hydrogen 2.691 N/A SER 167.A OG THR 182.A OG1 no hydrogen 2.799 N/A ILE 168.A N ASP 181.A O no hydrogen 2.896 N/A TYR 169.A N ILE 145.A O no hydrogen 2.708 N/A CYS 170.A N ILE 178.A O no hydrogen 2.903 N/A PHE 171.A N LEU 143.A O no hydrogen 2.714 N/A THR 172.A N GLN 176.A O no hydrogen 2.837 N/A THR 172.A OG1 ASP 174.A OD1 no hydrogen 3.035 N/A THR 172.A OG1 GLN 176.A O no hydrogen 3.539 N/A THR 173.A N ASN 142.A OD1 no hydrogen 2.906 N/A GLY 175.A N THR 172.A O no hydrogen 2.928 N/A GLN 176.A N THR 172.A OG1 no hydrogen 3.031 N/A ILE 178.A N CYS 170.A O no hydrogen 3.035 N/A GLN 179.A NE2 TYR 169.A OH no hydrogen 3.545 N/A VAL 180.A N ILE 168.A O no hydrogen 2.850 N/A THR 182.A N ASP 181.A OD1 no hydrogen 2.842 N/A THR 182.A OG1 GLY 166.A O no hydrogen 3.569 N/A THR 182.A OG1 SER 167.A OG no hydrogen 2.799 N/A ALA 183.A N THR 182.A OG1 no hydrogen 2.697 N/A PHE 184.A N GLY 166.A O no hydrogen 2.921 N/A GLN 185.A N GLU 207.A OE2 no hydrogen 2.894 N/A GLN 185.A NE2 LEU 161.A O no hydrogen 2.836 N/A CYS 186.A N SER 160.A OG no hydrogen 2.889 N/A ALA 188.A N ALA 206.A O no hydrogen 2.857 N/A ALA 191.A N ILE 204.A O no hydrogen 2.862 N/A ARG 193.A N GLN 202.A O no hydrogen 2.813 N/A ARG 193.A NH1 GLN 202.A OE1 no hydrogen 3.075 N/A HIS 194.A ND1 GLY 198.A O no hydrogen 3.173 N/A MET 195.A N ARG 199.A O no hydrogen 2.740 N/A GLY 198.A N MET 195.A O no hydrogen 2.844 N/A ARG 199.A N ASP 197.A OD1 no hydrogen 3.200 N/A ARG 199.A NH1.B ASP 197.A OD2 no hydrogen 2.821 N/A TYR 201.A N ARG 193.A O no hydrogen 2.915 N/A GLN 202.A N ARG 193.A O no hydrogen 3.268 N/A LEU 203.A N TYR 216.A O no hydrogen 2.993 N/A ILE 204.A N ALA 191.A O no hydrogen 2.840 N/A VAL 205.A N TRP 214.A O no hydrogen 2.793 N/A ALA 206.A N GLY 189.A O no hydrogen 2.766 N/A GLU 207.A N LYS 212.A O no hydrogen 3.003 N/A GLN 208.A N CYS 186.A O no hydrogen 3.100 N/A GLN 208.A NE2 ALA 241.A O no hydrogen 2.854 N/A THR 210.A OG1 GLU 207.A O no hydrogen 3.450 N/A THR 210.A OG1 GLU 207.A OE1 no hydrogen 2.686 N/A LYS 211.A N GLN 208.A O no hydrogen 3.122 N/A LYS 211.A NZ HIS 237.A O no hydrogen 2.868 N/A LYS 211.A NZ GLY 239.A O no hydrogen 2.846 N/A LYS 212.A N GLU 207.A O no hydrogen 3.459 N/A LEU 213.A N GLY 231.A O no hydrogen 2.908 N/A TRP 214.A N VAL 205.A O no hydrogen 2.797 N/A TRP 214.A NE1 GLU 207.A OE1 no hydrogen 2.962 N/A SER 215.A N LYS 228.A O no hydrogen 2.949 N/A TYR 216.A N LEU 203.A O no hydrogen 2.963 N/A TYR 216.A OH ASP 181.A OD2 no hydrogen 2.533 N/A ASP 217.A N GLU 225.A O no hydrogen 2.785 N/A ILE 218.A N TYR 201.A O no hydrogen 2.901 N/A LYS 219.A N LYS 223.A O no hydrogen 2.701 N/A LYS 223.A N GLY 220.A O no hydrogen 2.821 N/A GLU 225.A N ASP 217.A O no hydrogen 3.034 N/A ASN 226.A ND2 ASP 217.A OD2 no hydrogen 2.923 N/A LYS 227.A NZ ASP 181.A OD2 no hydrogen 3.089 N/A LYS 228.A N SER 215.A O no hydrogen 3.029 N/A TRP 230.A N LEU 213.A O no hydrogen 2.655 N/A GLY 231.A N LEU 213.A O no hydrogen 3.120 N/A HIS 232.A N GLY 270.A O no hydrogen 3.016 N/A ILE 233.A N LYS 211.A O no hydrogen 3.009 N/A HIS 237.A NE2 ASN 256.A OD1 no hydrogen 2.876 N/A GLY 240.A N TRP 257.A O no hydrogen 3.041 N/A ALA 242.A N ALA 255.A O no hydrogen 2.851 N/A GLY 243.A N ALA 284.A O no hydrogen 2.970 N/A ASP 245.A N LEU 253.A O no hydrogen 2.937 N/A PHE 246.A N ASP 245.A OD1 no hydrogen 2.966 N/A ASP 247.A N ASN 251.A O no hydrogen 2.888 N/A GLU 248.A N ASN 313.A O no hydrogen 2.825 N/A ASP 249.A N ASP 247.A OD1 no hydrogen 2.782 N/A ASN 250.A N ASP 247.A O no hydrogen 2.936 N/A ASN 251.A N ASP 247.A OD1 no hydrogen 2.998 N/A LEU 252.A N PHE 265.A O no hydrogen 2.879 N/A LEU 253.A N ASP 245.A O no hydrogen 2.795 N/A VAL 254.A N GLU 263.A O no hydrogen 2.808 N/A ALA 255.A N GLY 243.A O no hydrogen 2.876 N/A ASN 256.A N HIS 261.A O no hydrogen 3.081 N/A ASN 256.A ND2 PRO 234.A O no hydrogen 3.065 N/A ASN 256.A ND2 GLU 263.A OE2 no hydrogen 2.838 N/A TRP 257.A N GLY 240.A O no hydrogen 2.923 N/A GLY 258.A N GLU 281.A O no hydrogen 2.888 N/A SER 259.A N ASN 256.A O no hydrogen 3.044 N/A SER 259.A OG ASN 256.A O no hydrogen 2.592 N/A SER 260.A N GLU 281.A O no hydrogen 3.032 N/A HIS 261.A N SER 259.A OG no hydrogen 3.128 N/A HIS 261.A ND1 SER 259.A O no hydrogen 2.792 N/A ILE 262.A N ILE 276.A O no hydrogen 2.985 N/A GLU 263.A N VAL 254.A O no hydrogen 2.746 N/A VAL 264.A N MET 274.A O no hydrogen 3.039 N/A PHE 265.A N LEU 252.A O no hydrogen 2.830 N/A GLY 269.A N GLY 266.A O no hydrogen 2.956 N/A GLY 270.A N TRP 230.A O no hydrogen 2.740 N/A LYS 273.A N VAL 264.A O no hydrogen 2.733 N/A ARG 275.A N PRO 4.A O no hydrogen 2.842 N/A ARG 275.A NE GLU 263.A OE1 no hydrogen 2.965 N/A ARG 275.A NE GLU 263.A OE2 no hydrogen 3.481 N/A ARG 275.A NH2 GLU 263.A OE2 no hydrogen 2.973 N/A ILE 276.A N ILE 262.A O no hydrogen 2.890 N/A ARG 277.A N ILE 6.A O no hydrogen 2.849 N/A CYS 278.A N SER 260.A O no hydrogen 2.768 N/A CYS 278.A SG ILE 276.A O no hydrogen 3.822 N/A GLU 281.A N GLU 301.A OE1 no hydrogen 2.765 N/A ALA 284.A N THR 298.A O no hydrogen 2.706 N/A ASN 285.A N THR 298.A O no hydrogen 3.431 N/A ASN 285.A ND2 THR 21.A OG1 no hydrogen 3.206 N/A LEU 286.A N ASN 285.A OD1 no hydrogen 2.835 N/A HIS 287.A N PHE 296.A O no hydrogen 2.883 N/A LYS 289.A N THR 294.A O no hydrogen 2.845 N/A THR 292.A N LYS 289.A O no hydrogen 3.065 N/A THR 292.A OG1 LYS 289.A O no hydrogen 2.896 N/A THR 294.A N THR 292.A OG1 no hydrogen 2.822 N/A THR 294.A OG1 THR 292.A OG1 no hydrogen 3.331 N/A THR 294.A OG1 GLU 309.A OE1 no hydrogen 3.114 N/A THR 294.A OG1 GLU 309.A OE2 no hydrogen 2.932 N/A ILE 295.A N PHE 308.A O no hydrogen 2.869 N/A PHE 296.A N HIS 287.A O no hydrogen 2.823 N/A VAL 297.A N TRP 306.A O no hydrogen 2.861 N/A THR 298.A N ASN 285.A O no hydrogen 2.899 N/A THR 298.A OG1 ALA 20.A O no hydrogen 2.995 N/A GLU 299.A N ALA 304.A O no hydrogen 3.135 N/A HIS 300.A N LYS 282.A O no hydrogen 2.955 N/A ASN 302.A N GLU 299.A OE1 no hydrogen 2.864 N/A ASN 303.A ND2 GLU 40.A OE2 no hydrogen 2.868 N/A ALA 304.A N GLU 299.A O no hydrogen 3.254 N/A VAL 305.A N THR 14.A O no hydrogen 2.815 N/A TRP 306.A N VAL 297.A O no hydrogen 2.828 N/A TRP 306.A NE1 GLU 299.A OE2 no hydrogen 2.713 N/A LYS 307.A N THR 11.A O no hydrogen 2.784 N/A PHE 308.A N ILE 295.A O no hydrogen 3.110 N/A TRP 310.A N LYS 293.A O no hydrogen 2.905 N/A TRP 310.A NE1 ASP 247.A OD2 no hydrogen 2.961 N/A ARG 312.A NH1 ASP 247.A OD2 no hydrogen 2.937 N/A ARG 312.A NH1 GLN 311.A OE1 no hydrogen 2.990 N/A ARG 312.A NH2 GLN 311.A OE1 no hydrogen 2.882 N/A LYS 315.A N PHE 246.A O no hydrogen 3.028 N/A LYS 315.A NZ ASN 250.A OD1 no hydrogen 3.117 N/A GLN 317.A N GLU 320.A OE2 no hydrogen 2.955 N/A GLU 320.A N GLN 317.A O no hydrogen 2.946 N/A THR 321.A N TYR 318.A O no hydrogen 3.062 N/A THR 321.A OG1 TYR 318.A O no hydrogen 2.618 N/A PHE 324.A N PHE 327.A O no hydrogen 2.954 N/A GLY 325.A N LEU 322.A O no hydrogen 2.815 N/A ILE 326.A N PHE 324.A O no hydrogen 2.712 N/A