Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3roj_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 2.A N ASP 89.A OD2 no hydrogen 3.249 N/A THR 6.A N ASP 4.A OD2 no hydrogen 3.189 N/A THR 6.A OG1 ASP 4.A OD1 no hydrogen 2.796 N/A THR 6.A OG1 GLU 10.A OE1 no hydrogen 3.050 N/A LEU 7.A N ASP 4.A O no hydrogen 3.087 N/A GLY 8.A N SER 5.A O no hydrogen 3.235 N/A LEU 9.A N THR 6.A O no hydrogen 2.900 N/A GLU 10.A N THR 6.A O no hydrogen 2.811 N/A ILE 11.A N LEU 7.A O no hydrogen 3.272 N/A ILE 12.A N LEU 9.A O no hydrogen 3.102 N/A GLU 13.A N GLU 10.A O no hydrogen 3.114 N/A VAL 15.A N ILE 11.A O no hydrogen 3.254 N/A GLU 16.A N ILE 12.A O no hydrogen 3.035 N/A GLN 17.A N GLU 13.A O no hydrogen 3.070 N/A ALA 18.A N VAL 14.A O no hydrogen 3.212 N/A ALA 19.A N VAL 15.A O no hydrogen 2.885 N/A ILE 20.A N GLU 16.A O no hydrogen 2.870 N/A ALA 21.A N GLN 17.A O no hydrogen 3.147 N/A SER 22.A N ALA 18.A O no hydrogen 3.074 N/A SER 22.A OG ALA 34.A O no hydrogen 3.029 N/A ALA 23.A N ALA 19.A O no hydrogen 2.818 N/A LYS 24.A N ALA 21.A O no hydrogen 3.365 N/A TRP 25.A N SER 22.A O no hydrogen 2.975 N/A MET 26.A N ALA 23.A O no hydrogen 3.038 N/A GLY 27.A N VAL 107.A O no hydrogen 2.858 N/A LYS 28.A N TRP 25.A O no hydrogen 3.179 N/A GLY 29.A N ALA 108.A O no hydrogen 2.872 N/A THR 33.A OG1 GLU 30.A OE1 no hydrogen 2.741 N/A ALA 34.A N GLU 30.A O no hydrogen 3.210 N/A ASP 35.A N LYS 31.A O no hydrogen 3.123 N/A GLN 36.A N ASN 32.A O no hydrogen 2.751 N/A VAL 37.A N THR 33.A O no hydrogen 3.144 N/A VAL 39.A N ASP 35.A O no hydrogen 2.920 N/A GLU 40.A N GLN 36.A O no hydrogen 2.894 N/A ALA 41.A N VAL 37.A O no hydrogen 2.968 N/A MET 42.A N ALA 38.A O no hydrogen 2.940 N/A ARG 43.A N VAL 39.A O no hydrogen 3.041 N/A ARG 43.A NE GLU 72.A OE1 no hydrogen 2.651 N/A ARG 43.A NH2 GLU 72.A OE1 no hydrogen 3.565 N/A GLU 44.A N GLU 40.A O no hydrogen 2.811 N/A ARG 45.A N ALA 41.A O no hydrogen 3.044 N/A ARG 45.A NE GLU 13.A OE2 no hydrogen 3.162 N/A ARG 45.A NH1 ARG 45.A O no hydrogen 2.554 N/A ARG 45.A NH2 GLU 13.A OE2 no hydrogen 2.489 N/A MET 46.A N MET 42.A O no hydrogen 2.944 N/A ASN 47.A N ARG 43.A O no hydrogen 3.011 N/A LYS 48.A N ARG 45.A O no hydrogen 3.276 N/A ILE 49.A N MET 46.A O no hydrogen 3.055 N/A MET 51.A N ILE 49.A O no hydrogen 2.858 N/A ARG 52.A NH1 LEU 91.A O no hydrogen 3.148 N/A GLY 53.A N VAL 74.A O no hydrogen 2.909 N/A ARG 54.A N ILE 94.A O no hydrogen 2.905 N/A ARG 54.A NE ASP 95.A OD2 no hydrogen 2.961 N/A ARG 54.A NH2 ASP 95.A OD1 no hydrogen 3.020 N/A ARG 54.A NH2 ASP 95.A OD2 no hydrogen 3.268 N/A ILE 55.A N GLU 72.A O no hydrogen 3.052 N/A VAL 56.A N ILE 96.A O no hydrogen 2.949 N/A ILE 57.A N ILE 96.A O no hydrogen 3.520 N/A GLU 59.A N LEU 68.A O no hydrogen 3.087 N/A ASP 64.A N GLU 61.A O no hydrogen 3.059 N/A ALA 65.A N GLU 61.A O no hydrogen 3.003 N/A TYR 69.A N GLU 72.A OE2 no hydrogen 3.174 N/A ILE 70.A N GLY 60.A O no hydrogen 2.721 N/A GLY 71.A N ILE 55.A O no hydrogen 2.757 N/A GLU 72.A N TYR 69.A O no hydrogen 2.990 N/A VAL 74.A N GLY 53.A O no hydrogen 2.981 N/A GLY 75.A N ASN 47.A OD1 no hydrogen 2.866 N/A ILE 76.A N ILE 49.A O no hydrogen 2.896 N/A CYS 77.A N MET 51.A O no hydrogen 2.952 N/A CYS 77.A SG GLU 90.A O no hydrogen 3.682 N/A THR 78.A N GLY 75.A O no hydrogen 3.456 N/A THR 78.A OG1 GLY 75.A O no hydrogen 2.686 N/A ARG 79.A N ILE 76.A O no hydrogen 3.239 N/A ALA 82.A N ARG 79.A O no hydrogen 3.042 N/A SER 84.A N ASP 81.A O no hydrogen 3.205 N/A PHE 85.A N ALA 82.A O no hydrogen 3.008 N/A ASN 87.A N GLU 90.A OE2 no hydrogen 3.084 N/A GLU 90.A N ASN 87.A OD1 no hydrogen 2.778 N/A LEU 91.A N ASN 87.A O no hydrogen 3.054 N/A LEU 91.A N PRO 88.A O no hydrogen 3.077 N/A VAL 92.A N ASP 89.A O no hydrogen 3.428 N/A ILE 94.A N ARG 52.A O no hydrogen 3.048 N/A ASP 95.A N SER 121.A O no hydrogen 2.730 N/A ILE 96.A N ARG 54.A O no hydrogen 2.762 N/A ALA 97.A N ALA 119.A O no hydrogen 2.834 N/A VAL 98.A N ILE 57.A O no hydrogen 2.746 N/A ASP 99.A N VAL 117.A O no hydrogen 2.917 N/A GLU 102.A N MET 115.A O no hydrogen 2.800 N/A VAL 107.A N GLY 103.A O no hydrogen 3.123 N/A ALA 108.A N THR 104.A O no hydrogen 2.973 N/A TYR 109.A N ASN 105.A O no hydrogen 2.985 N/A GLY 110.A N VAL 107.A O no hydrogen 3.046 N/A GLN 111.A N LEU 106.A O no hydrogen 2.737 N/A GLY 113.A N PRO 300.A O no hydrogen 2.907 N/A SER 114.A N THR 299.A OG1 no hydrogen 3.279 N/A SER 114.A OG THR 299.A OG1 no hydrogen 2.832 N/A MET 115.A N GLU 102.A O no hydrogen 3.070 N/A ALA 116.A N CYS 296.A O no hydrogen 2.872 N/A VAL 117.A N ASP 99.A O no hydrogen 3.106 N/A LEU 118.A N ALA 294.A O no hydrogen 2.949 N/A ALA 119.A N ALA 97.A O no hydrogen 2.809 N/A ILE 120.A N LEU 292.A O no hydrogen 2.846 N/A SER 121.A N ASP 95.A O no hydrogen 3.046 N/A SER 121.A OG GLU 122.A OE1 no hydrogen 3.541 N/A SER 121.A OG THR 290.A O no hydrogen 2.820 N/A GLU 122.A N GLU 122.A OE1 no hydrogen 2.991 N/A LYS 123.A N GLU 93.A O no hydrogen 2.849 N/A LYS 123.A NZ GLU 93.A OE2 no hydrogen 3.418 N/A GLY 124.A N ASP 95.A OD1 no hydrogen 2.686 N/A GLY 125.A N GLU 122.A O no hydrogen 2.751 N/A PHE 127.A N LEU 286.A O no hydrogen 2.944 N/A ALA 129.A N PHE 127.A O no hydrogen 2.763 N/A PHE 132.A N PRO 130.A O no hydrogen 2.791 N/A MET 134.A N GLY 223.A O no hydrogen 2.557 N/A LYS 135.A N GLN 245.A O no hydrogen 2.647 N/A LYS 135.A NZ ILE 149.A O no hydrogen 3.008 N/A LYS 136.A N GLY 221.A O no hydrogen 2.813 N/A LYS 136.A NZ ASP 202.A OD1 no hydrogen 2.732 N/A LYS 136.A NZ ASP 202.A OD2 no hydrogen 3.385 N/A LYS 136.A NZ ALA 224.A O no hydrogen 2.926 N/A LEU 137.A N GLN 243.A O no hydrogen 3.113 N/A ALA 138.A N LEU 219.A O no hydrogen 2.943 N/A ALA 139.A N HIS 241.A O no hydrogen 2.996 N/A ALA 143.A N PRO 140.A O no hydrogen 2.817 N/A LYS 144.A N PRO 141.A O no hydrogen 3.132 N/A GLY 145.A N HIS 241.A ND1 no hydrogen 3.044 N/A HIS 146.A N ALA 143.A O no hydrogen 3.006 N/A VAL 147.A N ALA 143.A O no hydrogen 3.265 N/A ASP 148.A N ASN 156.A OD1 no hydrogen 2.909 N/A ILE 149.A N GLN 243.A OE1 no hydrogen 2.862 N/A ASP 150.A N ASP 148.A OD1 no hydrogen 2.949 N/A LYS 151.A N ASP 148.A O no hydrogen 2.913 N/A SER 152.A N GLU 155.A OE1.A no hydrogen 3.086 N/A THR 154.A N GLU 187.A OE1 no hydrogen 2.973 N/A THR 154.A OG1 GLU 187.A OE1 no hydrogen 2.664 N/A GLU 155.A N SER 152.A OG no hydrogen 3.108 N/A ASN 156.A N SER 152.A O no hydrogen 2.905 N/A ASN 156.A ND2 ASP 148.A O no hydrogen 2.849 N/A LEU 157.A N ALA 153.A O no hydrogen 2.922 N/A LYS 158.A N THR 154.A O no hydrogen 3.248 N/A ILE 159.A N GLU 155.A O no hydrogen 3.063 N/A LEU 160.A N ASN 156.A O no hydrogen 2.731 N/A SER 161.A N LEU 157.A O no hydrogen 2.764 N/A SER 161.A OG ARG 166.A O no hydrogen 2.627 N/A ASP 162.A N LYS 158.A O no hydrogen 3.037 N/A CYS 163.A N ILE 159.A O no hydrogen 2.780 N/A CYS 163.A SG ALA 142.A O no hydrogen 3.886 N/A CYS 163.A SG ILE 159.A O no hydrogen 3.295 N/A LEU 164.A N LEU 160.A O no hydrogen 2.828 N/A ASN 165.A N ASP 162.A O no hydrogen 3.212 N/A ARG 166.A N SER 161.A O no hydrogen 3.105 N/A ARG 166.A NH1 GLU 170.A O no hydrogen 3.030 N/A SER 167.A N GLU 170.A OE1 no hydrogen 2.942 N/A GLU 169.A N GLU 169.A OE1 no hydrogen 2.854 N/A GLU 170.A N SER 167.A O no hydrogen 3.021 N/A GLU 170.A N SER 167.A OG no hydrogen 3.233 N/A LEU 171.A N ILE 168.A O no hydrogen 2.964 N/A VAL 172.A N HIS 217.A ND1 no hydrogen 2.841 N/A VAL 173.A N ARG 194.A O no hydrogen 2.912 N/A VAL 174.A N ALA 218.A O no hydrogen 2.868 N/A VAL 175.A N ARG 196.A O no hydrogen 3.019 N/A ASP 177.A N ILE 198.A O no hydrogen 2.697 N/A ARG 178.A NH1 ASP 177.A O no hydrogen 2.857 N/A ARG 178.A NH1 SER 199.A O no hydrogen 2.994 N/A ARG 178.A NH2 SER 199.A O no hydrogen 2.783 N/A ARG 180.A NE ILE 222.A O no hydrogen 3.207 N/A ARG 180.A NH2 ILE 222.A O no hydrogen 2.822 N/A HIS 181.A N ARG 178.A O no hydrogen 2.961 N/A HIS 181.A ND1 MET 176.A O no hydrogen 2.778 N/A LYS 182.A N PRO 179.A O no hydrogen 3.239 N/A ILE 185.A N HIS 181.A O no hydrogen 2.825 N/A GLN 186.A N LYS 182.A O no hydrogen 3.166 N/A GLN 186.A NE2 GLN 186.A O no hydrogen 3.390 N/A GLN 186.A NE2 ASN 190.A OD1 no hydrogen 2.854 N/A GLU 187.A N GLU 183.A O no hydrogen 2.888 N/A ILE 188.A N LEU 184.A O no hydrogen 3.042 N/A ARG 189.A N ILE 185.A O no hydrogen 3.001 N/A ASN 190.A N GLN 186.A O no hydrogen 2.858 N/A ALA 191.A N GLU 187.A O no hydrogen 2.921 N/A GLY 192.A N ARG 189.A O no hydrogen 3.125 N/A ALA 193.A N ILE 188.A O no hydrogen 3.289 N/A ARG 194.A N LEU 171.A O no hydrogen 3.011 N/A ARG 196.A N VAL 173.A O no hydrogen 2.933 N/A ARG 196.A NH2 ASN 215.A O no hydrogen 2.883 N/A ILE 198.A N VAL 175.A O no hydrogen 3.031 N/A VAL 203.A N GLU 102.A OE2 no hydrogen 3.202 N/A ALA 206.A N ASP 202.A O no hydrogen 3.066 N/A ILE 207.A N VAL 203.A O no hydrogen 3.231 N/A SER 208.A N SER 204.A O no hydrogen 2.959 N/A SER 208.A OG SER 204.A O no hydrogen 2.841 N/A SER 208.A OG THR 302.A OG1 no hydrogen 2.836 N/A CYS 209.A N ALA 206.A O no hydrogen 3.302 N/A CYS 209.A SG ALA 205.A O no hydrogen 3.562 N/A ALA 210.A N ILE 207.A O no hydrogen 2.937 N/A PHE 211.A N SER 208.A O no hydrogen 3.208 N/A THR 214.A N PHE 211.A O no hydrogen 3.428 N/A THR 214.A OG1 SER 208.A O no hydrogen 2.803 N/A THR 214.A OG1 PHE 211.A O no hydrogen 3.046 N/A THR 214.A OG1 ILE 216.A O no hydrogen 3.429 N/A ILE 216.A N THR 214.A OG1 no hydrogen 3.222 N/A HIS 217.A N VAL 172.A O no hydrogen 3.004 N/A LEU 219.A N ALA 138.A O no hydrogen 2.993 N/A MET 220.A N VAL 174.A O no hydrogen 3.213 N/A ILE 222.A N HIS 181.A NE2 no hydrogen 2.689 N/A GLY 223.A N MET 134.A O no hydrogen 2.861 N/A ALA 225.A N PHE 132.A O no hydrogen 2.803 N/A GLU 227.A N GLU 227.A OE2 no hydrogen 2.657 N/A GLY 228.A N ALA 224.A O no hydrogen 3.168 N/A VAL 229.A N ALA 225.A O no hydrogen 3.087 N/A ILE 230.A N PRO 226.A O no hydrogen 3.221 N/A SER 231.A N GLU 227.A O no hydrogen 2.943 N/A SER 231.A OG GLU 227.A O no hydrogen 2.940 N/A ALA 232.A N GLY 228.A O no hydrogen 2.765 N/A ALA 233.A N VAL 229.A O no hydrogen 2.915 N/A ALA 234.A N ILE 230.A O no hydrogen 3.486 N/A MET 235.A N SER 231.A O no hydrogen 2.984 N/A ARG 236.A N ALA 232.A O no hydrogen 2.839 N/A ARG 236.A NH1 ARG 236.A O no hydrogen 3.231 N/A CYS 237.A N ALA 233.A O no hydrogen 3.314 N/A CYS 237.A SG ALA 233.A O no hydrogen 3.489 N/A CYS 237.A SG VAL 291.A O no hydrogen 3.444 N/A LEU 238.A N ALA 234.A O no hydrogen 2.958 N/A GLY 240.A N MET 235.A O no hydrogen 2.889 N/A HIS 241.A N ALA 139.A O no hydrogen 2.871 N/A HIS 241.A NE2 GLN 243.A OE1 no hydrogen 2.871 N/A GLN 243.A N LEU 137.A O no hydrogen 3.088 N/A GLN 243.A NE2 ASP 148.A OD2 no hydrogen 2.967 N/A GLY 244.A N TYR 281.A O no hydrogen 2.828 N/A GLN 245.A N LYS 135.A O no hydrogen 2.897 N/A GLN 245.A NE2 ASP 278.A O no hydrogen 2.804 N/A ILE 247.A N TYR 133.A O no hydrogen 2.735 N/A TYR 248.A OH ASP 278.A OD1 no hydrogen 3.369 N/A TYR 248.A OH ASP 278.A OD2 no hydrogen 2.502 N/A GLU 251.A N ASP 249.A OD2 no hydrogen 2.962 N/A VAL 253.A N ASP 249.A O no hydrogen 2.916 N/A THR 255.A N GLU 260.A OE2 no hydrogen 2.928 N/A THR 255.A OG1 GLU 260.A OE2 no hydrogen 2.616 N/A GLY 264.A N SER 261.A OG no hydrogen 2.919 N/A ASN 265.A N SER 261.A O no hydrogen 2.844 N/A ASN 265.A ND2 TYR 248.A O no hydrogen 2.887 N/A ASN 265.A ND2 GLU 260.A OE1 no hydrogen 2.924 N/A LEU 266.A N ARG 262.A O no hydrogen 2.736 N/A GLU 267.A N GLU 263.A O no hydrogen 3.082 N/A ARG 268.A N GLY 264.A O no hydrogen 3.187 N/A LEU 269.A N ASN 265.A O no hydrogen 2.885 N/A ALA 270.A N LEU 266.A O no hydrogen 2.994 N/A SER 271.A N GLU 267.A O no hydrogen 2.727 N/A SER 271.A OG GLU 267.A O no hydrogen 2.766 N/A MET 272.A N ARG 268.A O no hydrogen 3.146 N/A GLY 273.A N ALA 270.A O no hydrogen 2.802 N/A ILE 274.A N LEU 269.A O no hydrogen 2.769 N/A GLN 279.A N ASN 276.A O no hydrogen 3.235 N/A TYR 281.A N GLY 244.A O no hydrogen 2.959 N/A ASN 282.A N GLU 285.A OE2 no hydrogen 2.845 N/A CYS 283.A SG GLY 240.A O no hydrogen 3.763 N/A CYS 283.A SG GLU 284.A OE1 no hydrogen 3.706 N/A CYS 283.A SG GLU 284.A OE2 no hydrogen 3.413 N/A GLU 285.A N ASN 282.A O no hydrogen 3.154 N/A GLU 285.A N ASN 282.A OD1 no hydrogen 3.017 N/A LEU 286.A N ASN 282.A O no hydrogen 3.145 N/A ALA 287.A N CYS 283.A O no hydrogen 2.853 N/A THR 290.A N GLU 122.A OE1 no hydrogen 2.875 N/A THR 290.A OG1 GLU 122.A OE2 no hydrogen 2.758 N/A VAL 291.A N SER 323.A OG no hydrogen 2.818 N/A LEU 292.A N ILE 120.A O no hydrogen 2.773 N/A PHE 293.A N ILE 321.A O no hydrogen 2.780 N/A ALA 294.A N LEU 118.A O no hydrogen 3.028 N/A ALA 295.A N LEU 319.A O no hydrogen 2.864 N/A CYS 296.A N ALA 116.A O no hydrogen 2.923 N/A CYS 296.A SG GLY 297.A O no hydrogen 3.719 N/A CYS 296.A SG GLN 317.A O no hydrogen 3.635 N/A CYS 296.A SG SER 318.A OG no hydrogen 3.169 N/A GLY 297.A N GLN 317.A O no hydrogen 3.047 N/A ILE 298.A N SER 114.A O no hydrogen 3.092 N/A THR 299.A N SER 114.A OG no hydrogen 3.286 N/A THR 299.A OG1 GLN 111.A O no hydrogen 2.653 N/A THR 299.A OG1 SER 114.A OG no hydrogen 2.832 N/A GLY 301.A N MET 304.A O no hydrogen 2.942 N/A THR 302.A OG1 SER 208.A OG no hydrogen 2.836 N/A GLU 305.A N GLN 317.A OE1 no hydrogen 2.633 N/A GLY 306.A N GLU 305.A OE2 no hydrogen 2.987 N/A VAL 307.A N ILE 298.A O no hydrogen 2.848 N/A ARG 308.A N ARG 315.A O no hydrogen 3.021 N/A ARG 308.A NE GLY 306.A O no hydrogen 2.737 N/A ARG 308.A NH2 GLY 306.A O no hydrogen 2.937 N/A PHE 310.A N GLY 313.A O no hydrogen 3.173 N/A GLY 313.A N PHE 310.A O no hydrogen 3.242 N/A VAL 314.A N HIS 335.A O no hydrogen 2.880 N/A ARG 315.A N ARG 308.A O no hydrogen 2.907 N/A ARG 315.A NE ASP 332.A OD1 no hydrogen 2.874 N/A ARG 315.A NH1 GLN 344.A O no hydrogen 2.848 N/A ARG 315.A NH2 ASP 332.A OD2 no hydrogen 2.787 N/A ARG 315.A NH2 LEU 345.A O no hydrogen 2.918 N/A THR 316.A N THR 333.A O no hydrogen 3.014 N/A THR 316.A OG1 HIS 335.A NE2 no hydrogen 2.880 N/A SER 318.A N VAL 331.A O no hydrogen 2.857 N/A LEU 319.A N ALA 295.A O no hydrogen 2.654 N/A VAL 320.A N ARG 329.A O no hydrogen 2.805 N/A ILE 321.A N PHE 293.A O no hydrogen 2.761 N/A SER 322.A N THR 327.A O no hydrogen 3.002 N/A SER 322.A OG SER 325.A OG no hydrogen 3.191 N/A SER 323.A N VAL 291.A O no hydrogen 2.981 N/A SER 323.A OG VAL 291.A O no hydrogen 3.336 N/A GLN 324.A N SER 322.A OG no hydrogen 3.061 N/A GLN 324.A NE2 VAL 3.A O no hydrogen 3.271 N/A SER 325.A N SER 322.A OG no hydrogen 3.030 N/A SER 325.A OG THR 327.A OG1 no hydrogen 2.763 N/A THR 327.A N SER 322.A O no hydrogen 3.135 N/A THR 327.A OG1 SER 325.A OG no hydrogen 2.763 N/A ARG 329.A N VAL 320.A O no hydrogen 2.794 N/A VAL 331.A N SER 318.A O no hydrogen 2.751 N/A THR 333.A N THR 316.A O no hydrogen 2.950 N/A THR 333.A OG1 GLU 16.A OE1 no hydrogen 2.669 N/A HIS 335.A N VAL 314.A O no hydrogen 2.679 N/A HIS 335.A NE2 THR 316.A OG1 no hydrogen 2.880 N/A LYS 337.A N GLY 312.A O no hydrogen 3.000 N/A