Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1p72_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 4.A N SER 302.A O no hydrogen 2.848 N/A THR 5.A N ASP 103.A OD2 no hydrogen 2.832 N/A ILE 6.A N THR 300.A O no hydrogen 2.991 N/A VAL 7.A N LEU 104.A O no hydrogen 3.148 N/A ARG 8.A NE TYR 10.A OH no hydrogen 3.447 N/A ARG 8.A NE GLU 144.A OE2 no hydrogen 3.168 N/A ARG 8.A NH1 GLN 146.A O no hydrogen 3.239 N/A ARG 8.A NH2 GLU 144.A OE2 no hydrogen 2.734 N/A ARG 8.A NH2 PRO 145.A O no hydrogen 2.956 N/A ARG 8.A NH2 GLN 146.A O no hydrogen 3.260 N/A ILE 9.A N LEU 106.A O no hydrogen 2.818 N/A TYR 10.A N ASN 149.A O no hydrogen 2.856 N/A TYR 10.A OH GLU 144.A OE2 no hydrogen 2.849 N/A LEU 11.A N PHE 108.A O no hydrogen 2.862 N/A ASP 12.A N VAL 151.A O no hydrogen 2.844 N/A GLY 13.A N ASP 12.A OD1 no hydrogen 2.811 N/A LYS 19.A NZ ASP 109.A OD1 no hydrogen 2.719 N/A SER 20.A OG ASP 109.A OD2 no hydrogen 2.455 N/A THR 22.A N GLY 18.A O no hydrogen 3.027 N/A THR 22.A OG1 GLY 18.A O no hydrogen 2.657 N/A GLY 23.A N LYS 19.A O no hydrogen 2.896 N/A ARG 24.A N SER 20.A O no hydrogen 3.014 N/A VAL 25.A N THR 21.A O no hydrogen 3.096 N/A MET 26.A N THR 22.A O no hydrogen 2.933 N/A ALA 27.A N GLY 23.A O no hydrogen 3.037 N/A SER 28.A N ARG 24.A O no hydrogen 3.023 N/A ALA 30.A N SER 28.A OG no hydrogen 3.284 N/A SER 31.A N SER 28.A O no hydrogen 3.095 N/A SER 31.A OG VAL 25.A O no hydrogen 3.004 N/A SER 31.A OG MET 26.A O no hydrogen 3.075 N/A SER 31.A OG SER 28.A O no hydrogen 2.971 N/A GLY 32.A N ALA 29.A O no hydrogen 2.975 N/A SER 34.A N GLU 291.A OE1 no hydrogen 2.736 N/A SER 34.A OG PRO 35.A O no hydrogen 3.258 N/A SER 34.A OG THR 105.A OG1 no hydrogen 3.075 N/A THR 36.A OG1 SER 34.A O no hydrogen 2.655 N/A LEU 37.A N THR 105.A O no hydrogen 2.817 N/A TYR 38.A OH ASP 109.A OD2 no hydrogen 2.436 N/A PHE 39.A N VAL 107.A O no hydrogen 2.836 N/A MET 43.A N GLU 41.A O no hydrogen 2.784 N/A ALA 44.A N MET 321.A O no hydrogen 2.770 N/A TRP 46.A N PRO 42.A O no hydrogen 3.045 N/A TRP 46.A NE1 PHE 76.A O no hydrogen 2.977 N/A ARG 47.A N MET 43.A O no hydrogen 2.849 N/A ARG 47.A N ALA 44.A O no hydrogen 3.278 N/A ARG 47.A NE ASP 53.A OD2 no hydrogen 2.636 N/A ARG 47.A NH2 ASP 53.A OD2 no hydrogen 2.825 N/A THR 48.A N ALA 44.A O no hydrogen 2.866 N/A THR 48.A OG1 ALA 44.A O no hydrogen 3.190 N/A LEU 49.A N ALA 44.A O no hydrogen 2.782 N/A VAL 54.A N TRP 46.A O no hydrogen 3.027 N/A SER 56.A N ASP 53.A OD1 no hydrogen 3.055 N/A SER 56.A OG ASP 53.A O no hydrogen 3.318 N/A GLY 57.A N ASP 53.A O no hydrogen 2.744 N/A ILE 58.A N VAL 54.A O no hydrogen 2.818 N/A TYR 59.A N ILE 55.A O no hydrogen 3.266 N/A ASP 60.A N SER 56.A O no hydrogen 2.804 N/A THR 61.A N GLY 57.A O no hydrogen 2.924 N/A THR 61.A OG1 GLY 57.A O no hydrogen 2.746 N/A GLN 62.A NE2 ILE 58.A O no hydrogen 3.141 N/A GLN 62.A NE2 THR 69.A OG1 no hydrogen 2.663 N/A ASN 63.A N ASP 60.A O no hydrogen 2.968 N/A LEU 67.A N ASP 64.A O no hydrogen 3.210 N/A ILE 68.A N ASP 64.A O no hydrogen 3.060 N/A THR 69.A N ALA 65.A O no hydrogen 2.851 N/A THR 69.A OG1 ALA 65.A O no hydrogen 3.033 N/A ALA 70.A N ALA 66.A O no hydrogen 3.212 N/A HIS 71.A N LEU 67.A O no hydrogen 3.001 N/A TYR 72.A N ILE 68.A O no hydrogen 2.916 N/A GLN 73.A N THR 69.A O no hydrogen 3.107 N/A GLN 73.A NE2 SER 115.A O no hydrogen 2.975 N/A SER 74.A N ALA 70.A O no hydrogen 3.011 N/A SER 74.A OG ALA 70.A O no hydrogen 3.501 N/A ARG 75.A N HIS 71.A O no hydrogen 3.179 N/A ARG 75.A NE HIS 71.A NE2 no hydrogen 2.977 N/A ARG 75.A NH2 HIS 71.A NE2 no hydrogen 3.362 N/A PHE 76.A N TYR 72.A O no hydrogen 3.111 N/A THR 77.A N SER 74.A O no hydrogen 3.061 N/A THR 77.A OG1 SER 74.A O no hydrogen 2.664 N/A THR 78.A OG1 ARG 75.A O no hydrogen 3.566 N/A TYR 80.A OH ASP 109.A O no hydrogen 2.712 N/A LEU 81.A N THR 77.A O no hydrogen 2.970 N/A ILE 82.A N THR 78.A O no hydrogen 3.020 N/A LEU 83.A N PRO 79.A O no hydrogen 2.968 N/A HIS 84.A N TYR 80.A O no hydrogen 2.856 N/A HIS 84.A NE2 GLU 144.A OE1 no hydrogen 2.743 N/A ASP 85.A N LEU 81.A O no hydrogen 2.954 N/A HIS 86.A N ILE 82.A O no hydrogen 2.932 N/A THR 87.A N LEU 83.A O no hydrogen 2.860 N/A THR 87.A OG1 LEU 83.A O no hydrogen 2.902 N/A CYS 88.A N HIS 84.A O no hydrogen 3.008 N/A CYS 88.A SG HIS 84.A O no hydrogen 3.234 N/A THR 89.A OG1 HIS 86.A O no hydrogen 2.956 N/A LEU 90.A N THR 87.A O no hydrogen 2.970 N/A SER 95.A N GLN 146.A OE1 no hydrogen 2.800 N/A LEU 96.A N SER 299.A O no hydrogen 3.080 N/A GLN 97.A NE2 ASN 273.A OD1 no hydrogen 2.873 N/A ARG 98.A NH1 ASN 94.A O no hydrogen 3.182 N/A ARG 98.A NH1 SER 299.A O no hydrogen 2.886 N/A ARG 98.A NH1 SER 299.A OG no hydrogen 2.891 N/A ARG 98.A NH2 ASN 94.A O no hydrogen 2.798 N/A LEU 104.A N THR 5.A O no hydrogen 3.308 N/A THR 105.A N PRO 35.A O no hydrogen 2.844 N/A THR 105.A OG1 SER 34.A OG no hydrogen 3.075 N/A LEU 106.A N VAL 7.A O no hydrogen 2.879 N/A VAL 107.A N LEU 37.A O no hydrogen 2.713 N/A PHE 108.A N ILE 9.A O no hydrogen 2.683 N/A ASP 109.A N PHE 39.A O no hydrogen 2.900 N/A ARG 110.A N LEU 11.A O no hydrogen 2.728 N/A ARG 110.A NE GLU 41.A OE2 no hydrogen 2.716 N/A ARG 110.A NH1 GLY 13.A O no hydrogen 2.746 N/A ARG 110.A NH2 GLY 13.A O no hydrogen 3.126 N/A HIS 111.A N ASP 12.A OD2 no hydrogen 2.954 N/A HIS 111.A NE2 GLU 144.A OE1 no hydrogen 2.726 N/A VAL 113.A N HIS 111.A ND1 no hydrogen 2.910 N/A ALA 114.A N HIS 111.A O no hydrogen 3.061 N/A SER 115.A OG PRO 112.A O no hydrogen 3.551 N/A THR 116.A N PRO 112.A O no hydrogen 3.101 N/A THR 116.A OG1 PRO 112.A O no hydrogen 2.779 N/A VAL 117.A N VAL 113.A O no hydrogen 2.925 N/A CYS 118.A N VAL 113.A O no hydrogen 2.972 N/A CYS 118.A SG VAL 113.A O no hydrogen 3.826 N/A PHE 119.A N ALA 114.A O no hydrogen 2.874 N/A ALA 121.A N VAL 117.A O no hydrogen 2.787 N/A ALA 122.A N CYS 118.A O no hydrogen 2.948 N/A ARG 123.A N PHE 119.A O no hydrogen 3.036 N/A ARG 123.A NH1 ASP 128.A OD2 no hydrogen 3.250 N/A TYR 124.A N PRO 120.A O no hydrogen 2.854 N/A LEU 125.A N ALA 121.A O no hydrogen 2.907 N/A LEU 126.A N ALA 122.A O no hydrogen 3.061 N/A GLY 127.A N TYR 124.A O no hydrogen 3.009 N/A ASP 128.A N ARG 123.A O no hydrogen 2.814 N/A ALA 133.A N SER 130.A OG no hydrogen 3.036 N/A LEU 134.A N SER 130.A O no hydrogen 2.941 N/A MET 135.A N MET 131.A O no hydrogen 2.796 N/A ALA 136.A N CYS 132.A O no hydrogen 3.177 N/A MET 137.A N ALA 133.A O no hydrogen 3.166 N/A VAL 138.A N LEU 134.A O no hydrogen 2.868 N/A ALA 139.A N MET 135.A O no hydrogen 2.849 N/A THR 140.A N MET 137.A O no hydrogen 2.958 N/A THR 140.A OG1 MET 137.A O no hydrogen 2.809 N/A LEU 141.A N VAL 138.A O no hydrogen 3.095 N/A GLU 144.A N LYS 268.A O no hydrogen 3.254 N/A ASN 149.A N ARG 8.A O no hydrogen 3.232 N/A ASN 149.A ND2 ARG 8.A O no hydrogen 2.876 N/A ASN 149.A ND2 SER 298.A O no hydrogen 2.996 N/A ILE 150.A N ASN 273.A O no hydrogen 2.844 N/A VAL 151.A N TYR 10.A O no hydrogen 2.823 N/A VAL 152.A N PHE 275.A O no hydrogen 2.862 N/A THR 153.A N ASP 12.A O no hydrogen 2.797 N/A THR 153.A OG1 ASP 12.A O no hydrogen 3.220 N/A THR 154.A N ALA 277.A O no hydrogen 2.928 N/A THR 154.A OG1 ALA 277.A O no hydrogen 3.544 N/A GLU 158.A N GLU 158.A OE1 no hydrogen 2.854 N/A GLU 159.A N ASN 156.A OD1 no hydrogen 3.097 N/A HIS 160.A N ASN 156.A O no hydrogen 3.033 N/A HIS 160.A NE2 TYR 15.A O no hydrogen 2.824 N/A ILE 161.A N VAL 157.A O no hydrogen 2.840 N/A ARG 162.A N GLU 158.A O no hydrogen 3.011 N/A ARG 162.A NE GLU 159.A OE1 no hydrogen 2.757 N/A ARG 162.A NH2 GLU 159.A OE1 no hydrogen 3.482 N/A ARG 162.A NH2 GLU 159.A OE2 no hydrogen 2.628 N/A ARG 163.A N GLU 159.A O no hydrogen 2.866 N/A ARG 163.A NE GLU 159.A OE2 no hydrogen 2.801 N/A ARG 163.A NH1 ILE 17.A O no hydrogen 2.784 N/A ARG 163.A NH1 LEU 279.A O no hydrogen 2.795 N/A ARG 163.A NH2 GLU 159.A OE2 no hydrogen 3.558 N/A ARG 163.A NH2 LEU 279.A O no hydrogen 2.890 N/A LEU 164.A N HIS 160.A O no hydrogen 3.167 N/A ARG 165.A N ILE 161.A O no hydrogen 2.839 N/A THR 166.A N ARG 162.A O no hydrogen 2.979 N/A THR 166.A OG1 ARG 163.A O no hydrogen 2.919 N/A ALA 168.A N LEU 164.A O no hydrogen 3.023 N/A ILE 176.A N ILE 174.A O no hydrogen 2.794 N/A LEU 178.A N ASP 175.A OD1 no hydrogen 3.195 N/A ILE 179.A N ASP 175.A O no hydrogen 3.020 N/A ALA 180.A N ILE 176.A O no hydrogen 2.819 N/A THR 181.A N THR 177.A O no hydrogen 3.179 N/A THR 181.A OG1 THR 177.A O no hydrogen 2.873 N/A LEU 182.A N LEU 178.A O no hydrogen 2.888 N/A ARG 183.A N ILE 179.A O no hydrogen 2.929 N/A ARG 183.A NH1 LEU 155.A O no hydrogen 2.763 N/A ARG 183.A NH1 HIS 160.A ND1 no hydrogen 3.105 N/A ARG 183.A NH2 LEU 155.A O no hydrogen 2.860 N/A ASN 184.A N ALA 180.A O no hydrogen 3.280 N/A ASN 184.A ND2 ALA 220.A O no hydrogen 2.732 N/A ASN 184.A ND2 GLN 222.A O no hydrogen 2.944 N/A VAL 185.A N THR 181.A O no hydrogen 2.866 N/A TYR 186.A N LEU 182.A O no hydrogen 2.908 N/A TYR 186.A OH ASP 12.A OD1 no hydrogen 2.674 N/A PHE 187.A N ARG 183.A O no hydrogen 3.190 N/A MET 188.A N ASN 184.A O no hydrogen 2.857 N/A LEU 189.A N VAL 185.A O no hydrogen 2.814 N/A VAL 190.A N TYR 186.A O no hydrogen 2.975 N/A ASN 191.A N PHE 187.A O no hydrogen 2.790 N/A ASN 191.A ND2 GLN 227.A O no hydrogen 2.907 N/A ASN 191.A ND2 ASP 236.A O no hydrogen 3.110 N/A THR 192.A N MET 188.A O no hydrogen 2.785 N/A THR 192.A OG1 MET 188.A O no hydrogen 2.664 N/A CYS 193.A N LEU 189.A O no hydrogen 3.109 N/A CYS 193.A SG LEU 189.A O no hydrogen 3.594 N/A HIS 194.A N VAL 190.A O no hydrogen 3.073 N/A HIS 194.A NE2 GLU 228.A OE2 no hydrogen 2.904 N/A PHE 195.A N ASN 191.A O no hydrogen 2.796 N/A LEU 196.A N THR 192.A O no hydrogen 2.860 N/A ARG 197.A N CYS 193.A O no hydrogen 2.897 N/A ARG 197.A NH1 ARG 197.A O no hydrogen 2.920 N/A SER 198.A N HIS 194.A O no hydrogen 3.035 N/A SER 198.A OG PHE 195.A O no hydrogen 2.710 N/A GLY 199.A N LEU 196.A O no hydrogen 3.079 N/A ARG 200.A NE SER 198.A OG no hydrogen 3.231 N/A ARG 200.A NH1 PRO 232.A O no hydrogen 2.724 N/A ARG 200.A NH2 PRO 232.A O no hydrogen 2.483 N/A VAL 201.A N ASP 204.A OD2 no hydrogen 3.005 N/A TRP 202.A NE1 ASP 263.A OD1 no hydrogen 2.716 N/A ASP 204.A N VAL 201.A O no hydrogen 2.727 N/A TRP 206.A N ARG 203.A O no hydrogen 3.282 N/A LEU 209.A N GLY 205.A O no hydrogen 3.022 N/A SER 212.A N LYS 243.A O no hydrogen 2.685 N/A SER 212.A OG ALA 240.A O no hydrogen 2.555 N/A CYS 213.A SG THR 211.A O no hydrogen 3.870 N/A CYS 213.A SG THR 211.A OG1 no hydrogen 3.214 N/A LYS 217.A N CYS 213.A O no hydrogen 3.169 N/A HIS 218.A N GLY 214.A O no hydrogen 3.097 N/A ARG 219.A N ALA 215.A O no hydrogen 3.085 N/A ALA 220.A N TYR 216.A O no hydrogen 2.879 N/A THR 221.A N LYS 217.A O no hydrogen 3.234 N/A THR 221.A N HIS 218.A O no hydrogen 3.213 N/A THR 221.A OG1 LYS 217.A O no hydrogen 3.494 N/A THR 221.A OG1 HIS 218.A O no hydrogen 3.128 N/A GLN 222.A N ARG 219.A O no hydrogen 3.123 N/A ALA 225.A N GLN 222.A O no hydrogen 3.000 N/A PHE 226.A N ASN 184.A OD1 no hydrogen 2.877 N/A ARG 229.A N ASN 191.A OD1 no hydrogen 2.879 N/A ARG 229.A NE ASP 236.A OD1 no hydrogen 2.813 N/A ARG 229.A NH2 ASP 236.A OD1 no hydrogen 2.887 N/A GLU 233.A N ASP 236.A OD2 no hydrogen 2.802 N/A ASP 236.A N GLU 233.A O no hydrogen 3.120 N/A THR 237.A N LEU 234.A O no hydrogen 3.010 N/A THR 237.A OG1 LEU 234.A O no hydrogen 2.832 N/A LEU 238.A N THR 192.A OG1 no hydrogen 2.826 N/A PHE 239.A N THR 237.A OG1 no hydrogen 3.119 N/A PHE 242.A N PHE 239.A O no hydrogen 3.045 N/A LYS 243.A N ALA 240.A O no hydrogen 3.225 N/A LYS 243.A NZ TRP 206.A O no hydrogen 2.575 N/A LYS 243.A NZ LEU 209.A O no hydrogen 2.770 N/A THR 244.A N PHE 242.A O no hydrogen 2.883 N/A THR 244.A OG1 LEU 241.A O no hydrogen 3.105 N/A LEU 247.A N THR 244.A O no hydrogen 2.931 N/A LEU 248.A N GLN 245.A O no hydrogen 2.987 N/A ASP 249.A N VAL 253.A O no hydrogen 2.679 N/A GLY 252.A N ASP 249.A O no hydrogen 3.333 N/A VAL 253.A N ASP 249.A OD1 no hydrogen 2.928 N/A LEU 255.A N LEU 247.A O no hydrogen 3.213 N/A HIS 258.A N LEU 255.A O no hydrogen 3.094 N/A ALA 259.A N LEU 255.A O no hydrogen 3.014 N/A TRP 260.A N GLU 256.A O no hydrogen 2.820 N/A ALA 261.A N VAL 257.A O no hydrogen 3.201 N/A LEU 262.A N HIS 258.A O no hydrogen 3.057 N/A ASP 263.A N ALA 259.A O no hydrogen 2.948 N/A ALA 264.A N TRP 260.A O no hydrogen 2.985 N/A LEU 265.A N ALA 261.A O no hydrogen 3.054 N/A MET 266.A N LEU 262.A O no hydrogen 3.056 N/A LEU 267.A N ASP 263.A O no hydrogen 2.900 N/A LYS 268.A N ALA 264.A O no hydrogen 2.869 N/A LYS 268.A NZ LEU 141.A O no hydrogen 2.717 N/A LEU 269.A N LEU 265.A O no hydrogen 3.165 N/A ARG 270.A N LEU 267.A O no hydrogen 3.285 N/A ASN 271.A ND2 GLU 144.A O no hydrogen 2.781 N/A LEU 272.A N LEU 269.A O no hydrogen 3.076 N/A ASN 273.A N GLY 148.A O no hydrogen 2.978 N/A PHE 275.A N ILE 150.A O no hydrogen 2.903 N/A SER 276.A OG GLU 228.A OE1 no hydrogen 2.604 N/A SER 276.A OG GLU 228.A OE2 no hydrogen 3.522 N/A ALA 277.A N VAL 152.A O no hydrogen 2.898 N/A LEU 279.A N THR 154.A O no hydrogen 2.960 N/A SER 280.A N ASP 278.A OD2 no hydrogen 2.966 N/A SER 280.A OG ASP 278.A OD2 no hydrogen 2.481 N/A THR 282.A N GLN 285.A OE1 no hydrogen 2.977 N/A GLN 285.A N THR 282.A OG1 no hydrogen 3.292 N/A CYS 286.A N THR 282.A O no hydrogen 2.820 N/A CYS 286.A SG GLY 281.A O no hydrogen 3.466 N/A CYS 286.A SG THR 282.A O no hydrogen 3.228 N/A ALA 287.A N PRO 283.A O no hydrogen 2.965 N/A ALA 288.A N ARG 284.A O no hydrogen 3.080 N/A VAL 289.A N GLN 285.A O no hydrogen 2.856 N/A VAL 290.A N CYS 286.A O no hydrogen 3.050 N/A GLU 291.A N ALA 287.A O no hydrogen 2.952 N/A SER 292.A N ALA 288.A O no hydrogen 2.911 N/A SER 292.A OG VAL 289.A O no hydrogen 2.710 N/A LEU 293.A N VAL 290.A O no hydrogen 3.074 N/A LEU 294.A N GLU 291.A O no hydrogen 3.206 N/A LEU 296.A N LEU 293.A O no hydrogen 2.921 N/A MET 297.A N LEU 294.A O no hydrogen 2.984 N/A SER 298.A N ASN 149.A OD1 no hydrogen 2.917 N/A SER 298.A OG ASN 273.A OD1 no hydrogen 3.259 N/A SER 299.A N LEU 96.A O no hydrogen 2.893 N/A SER 299.A OG LEU 96.A O no hydrogen 3.455 N/A THR 300.A N ILE 6.A O no hydrogen 2.898 N/A THR 300.A OG1 PHE 91.A O no hydrogen 2.592 N/A LEU 301.A N GLY 93.A O no hydrogen 2.835 N/A SER 302.A N VAL 4.A O no hydrogen 2.717 N/A SER 302.A OG LEU 90.A O no hydrogen 2.672 N/A PHE 304.A N HIS 2.A O no hydrogen 2.862 N/A SER 306.A N ASP 303.A OD2 no hydrogen 2.894 N/A SER 306.A OG ASP 303.A OD2 no hydrogen 2.691 N/A ALA 307.A N ASP 303.A O no hydrogen 2.820 N/A SER 308.A N PHE 304.A O no hydrogen 2.837 N/A SER 308.A OG PHE 304.A O no hydrogen 2.729 N/A ALA 309.A N ASP 305.A O no hydrogen 2.867 N/A LEU 310.A N SER 306.A O no hydrogen 2.857 N/A GLU 311.A N ALA 307.A O no hydrogen 3.003 N/A ARG 312.A N SER 308.A O no hydrogen 3.067 N/A ALA 313.A N ALA 309.A O no hydrogen 2.838 N/A ALA 314.A N LEU 310.A O no hydrogen 2.825 N/A ARG 315.A N GLU 311.A O no hydrogen 2.896 N/A THR 316.A N ARG 312.A O no hydrogen 2.865 N/A THR 316.A OG1 ARG 312.A O no hydrogen 3.168 N/A PHE 317.A N ALA 313.A O no hydrogen 2.883 N/A ASN 318.A N ALA 314.A O no hydrogen 2.951 N/A ASN 318.A ND2 TYR 38.A O no hydrogen 2.703 N/A ASN 318.A ND2 ALA 314.A O no hydrogen 2.814 N/A ALA 319.A N ARG 315.A O no hydrogen 3.117 N/A GLU 320.A N THR 316.A O no hydrogen 2.839 N/A MET 321.A N PHE 317.A O no hydrogen 2.995 N/A