Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3p47_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASN 5.A N ALA 1.A O no hydrogen 2.847 N/A TYR 6.A N SER 2.A O no hydrogen 2.997 N/A ILE 7.A N MET 3.A O no hydrogen 2.847 N/A TYR 8.A N ASP 4.A O no hydrogen 3.091 N/A SER 9.A N ASN 5.A O no hydrogen 3.308 N/A SER 9.A OG TYR 6.A O no hydrogen 2.692 N/A ILE 10.A N TYR 6.A O no hydrogen 3.001 N/A ALA 11.A N ILE 7.A O no hydrogen 2.724 N/A HIS 12.A N TYR 8.A O no hydrogen 2.848 N/A HIS 12.A ND1 GLU 60.A OE1 no hydrogen 2.854 N/A GLN 13.A N SER 9.A O no hydrogen 3.077 N/A LEU 14.A N ILE 10.A O no hydrogen 2.903 N/A TYR 15.A N ALA 11.A O no hydrogen 2.883 N/A GLU 16.A N HIS 12.A O no hydrogen 3.034 N/A MET 17.A N GLN 13.A O no hydrogen 2.962 N/A TYR 18.A N LEU 14.A O no hydrogen 2.953 N/A TYR 18.A OH ASP 50.A OD1 no hydrogen 2.661 N/A LEU 19.A N TYR 15.A O no hydrogen 2.983 N/A GLN 20.A N GLU 16.A O no hydrogen 3.201 N/A GLN 20.A N MET 17.A O no hydrogen 3.121 N/A ASP 21.A N TYR 18.A O no hydrogen 3.282 N/A GLU 22.A N GLU 22.A OE1 no hydrogen 2.511 N/A PHE 25.A N GLU 22.A O no hydrogen 2.881 N/A HIS 26.A N ASP 23.A O no hydrogen 2.941 N/A HIS 26.A ND1 ASP 50.A OD2 no hydrogen 2.724 N/A SER 27.A N ASP 50.A OD2 no hydrogen 3.183 N/A SER 27.A OG TYR 31.A OH no hydrogen 2.896 N/A ARG 29.A N SER 27.A OG no hydrogen 3.139 N/A TYR 31.A OH SER 27.A OG no hydrogen 2.896 N/A LYS 34.A NZ ARG 127.A O no hydrogen 2.727 N/A VAL 36.A N GLN 41.A OE1 no hydrogen 3.048 N/A GLU 39.A N GLU 39.A OE1 no hydrogen 2.773 N/A GLN 41.A N PHE 37.A O no hydrogen 2.930 N/A GLN 41.A NE2 LYS 34.A O no hydrogen 3.203 N/A LYS 42.A N THR 38.A O no hydrogen 2.913 N/A LYS 42.A NZ GLU 66.A OE1 no hydrogen 2.855 N/A LEU 43.A N GLU 39.A O no hydrogen 2.959 N/A ARG 44.A N LEU 40.A O no hydrogen 2.872 N/A ARG 44.A NH1 GLN 133.A OE1 no hydrogen 2.825 N/A LYS 45.A N GLN 41.A O no hydrogen 3.420 N/A ILE 46.A N LYS 42.A O no hydrogen 3.050 N/A PHE 47.A N LEU 43.A O no hydrogen 2.882 N/A PHE 48.A N ARG 44.A O no hydrogen 3.061 N/A PHE 51.A N PHE 48.A O no hydrogen 3.037 N/A PHE 52.A N PRO 49.A O no hydrogen 3.267 N/A MET 53.A N PRO 49.A O no hydrogen 2.795 N/A HIS 55.A N ASP 30.A OD1 no hydrogen 3.159 N/A LYS 57.A N LYS 54.A O no hydrogen 2.432 N/A ILE 58.A N HIS 55.A O no hydrogen 3.359 N/A THR 59.A OG1 LYS 57.A O no hydrogen 3.569 N/A HIS 62.A N THR 59.A OG1 no hydrogen 2.948 N/A HIS 62.A ND1 HIS 62.A O no hydrogen 2.944 N/A ILE 63.A N THR 59.A O no hydrogen 3.197 N/A ALA 64.A N GLU 60.A O no hydrogen 2.897 N/A SER 65.A N SER 61.A O no hydrogen 3.104 N/A GLU 66.A N HIS 62.A O no hydrogen 3.060 N/A LEU 67.A N ILE 63.A O no hydrogen 2.870 N/A THR 68.A N ALA 64.A O no hydrogen 2.835 N/A THR 68.A OG1 ALA 64.A O no hydrogen 2.907 N/A LYS 69.A N SER 65.A O no hydrogen 3.039 N/A LEU 70.A N GLU 66.A O no hydrogen 2.986 N/A VAL 71.A N LEU 67.A O no hydrogen 2.851 N/A ASP 72.A N THR 68.A O no hydrogen 2.912 N/A TYR 73.A N LYS 69.A O no hydrogen 3.103 N/A ILE 74.A N LEU 70.A O no hydrogen 2.959 N/A LYS 75.A N VAL 71.A O no hydrogen 2.798 N/A ASP 76.A N ASP 72.A O no hydrogen 2.930 N/A SER 77.A N TYR 73.A O no hydrogen 3.111 N/A SER 77.A OG TYR 73.A O no hydrogen 3.438 N/A VAL 78.A N ILE 74.A O no hydrogen 2.908 N/A THR 79.A N LYS 75.A O no hydrogen 2.924 N/A THR 79.A OG1 LYS 75.A O no hydrogen 2.751 N/A ALA 80.A N ASP 76.A O no hydrogen 2.932 N/A TYR 81.A N SER 77.A O no hydrogen 3.224 N/A TYR 81.A OH GLU 155.A OE1 no hydrogen 2.704 N/A TYR 81.A OH GLU 155.A OE2 no hydrogen 2.942 N/A ASN 82.A N THR 79.A O no hydrogen 3.193 N/A PHE 86.A N ASP 83.A OD1 no hydrogen 2.884 N/A ALA 87.A N ASP 83.A O no hydrogen 2.971 N/A HIS 88.A N GLU 84.A O no hydrogen 2.954 N/A GLN 89.A N LEU 85.A O no hydrogen 3.113 N/A CYS 90.A N PHE 86.A O no hydrogen 2.980 N/A CYS 90.A SG PHE 86.A O no hydrogen 3.176 N/A VAL 91.A N ALA 87.A O no hydrogen 2.961 N/A MET 92.A N HIS 88.A O no hydrogen 2.933 N/A ALA 93.A N GLN 89.A O no hydrogen 2.944 N/A ILE 94.A N CYS 90.A O no hydrogen 2.922 N/A LEU 95.A N VAL 91.A O no hydrogen 2.922 N/A GLU 96.A N MET 92.A O no hydrogen 2.999 N/A LYS 97.A N ALA 93.A O no hydrogen 3.230 N/A LYS 97.A N ILE 94.A O no hydrogen 3.013 N/A LEU 98.A N LEU 95.A O no hydrogen 3.225 N/A SER 100.A OG LYS 97.A O no hydrogen 2.917 N/A ILE 101.A N LYS 97.A O no hydrogen 2.926 N/A LYS 102.A N LEU 98.A O no hydrogen 2.853 N/A LYS 102.A NZ ASP 21.A OD2 no hydrogen 2.750 N/A ARG 103.A N PRO 99.A O no hydrogen 3.142 N/A THR 104.A N SER 100.A O no hydrogen 2.960 N/A THR 104.A OG1 SER 100.A O no hydrogen 3.103 N/A LEU 105.A N ILE 101.A O no hydrogen 2.777 N/A LYS 106.A N LYS 102.A O no hydrogen 3.123 N/A LYS 106.A NZ ASP 21.A OD1 no hydrogen 2.843 N/A LYS 106.A NZ GLU 22.A OE1 no hydrogen 2.785 N/A THR 107.A N ARG 103.A O no hydrogen 3.375 N/A THR 107.A OG1 THR 104.A O no hydrogen 2.513 N/A ASP 108.A N THR 104.A O no hydrogen 2.943 N/A LEU 109.A N LEU 105.A O no hydrogen 3.005 N/A ILE 110.A N LYS 106.A O no hydrogen 3.066 N/A ALA 111.A N THR 107.A O no hydrogen 2.970 N/A ALA 112.A N ASP 108.A O no hydrogen 2.903 N/A TYR 113.A N LEU 109.A O no hydrogen 2.884 N/A ALA 114.A N ILE 110.A O no hydrogen 2.908 N/A GLY 115.A N ALA 111.A O no hydrogen 2.881 N/A GLY 115.A N ALA 112.A O no hydrogen 3.215 N/A ASP 116.A N TYR 113.A O no hydrogen 3.269 N/A ALA 118.A N ASP 116.A OD1 no hydrogen 2.914 N/A ALA 119.A N ASP 116.A O no hydrogen 3.000 N/A LEU 124.A N GLY 121.A O no hydrogen 3.290 N/A ILE 126.A N LEU 122.A O no hydrogen 2.867 N/A ARG 127.A N SER 123.A O no hydrogen 2.906 N/A ARG 127.A NH1 PRO 32.A O no hydrogen 3.319 N/A ARG 127.A NH1 PHE 51.A O no hydrogen 2.884 N/A ARG 127.A NH2 PRO 32.A O no hydrogen 3.038 N/A CYS 128.A N LEU 124.A O no hydrogen 2.968 N/A CYS 128.A SG LEU 124.A O no hydrogen 3.441 N/A TYR 129.A N ILE 125.A O no hydrogen 3.057 N/A TYR 129.A OH ASP 116.A OD2 no hydrogen 2.638 N/A GLN 133.A N TYR 129.A O no hydrogen 3.055 N/A GLN 133.A NE2 ILE 126.A O no hydrogen 3.000 N/A GLN 133.A NE2 TYR 129.A O no hydrogen 3.144 N/A ALA 134.A N PRO 130.A O no hydrogen 2.918 N/A VAL 135.A N GLY 131.A O no hydrogen 3.121 N/A ILE 136.A N PHE 132.A O no hydrogen 3.004 N/A VAL 137.A N GLN 133.A O no hydrogen 3.469 N/A TYR 138.A N ALA 134.A O no hydrogen 2.777 N/A TYR 138.A OH ALA 172.A O no hydrogen 2.512 N/A ARG 139.A N VAL 135.A O no hydrogen 2.951 N/A ARG 139.A NE ASP 108.A OD2 no hydrogen 2.788 N/A ARG 139.A NH1 ILE 174.A O no hydrogen 2.952 N/A ARG 139.A NH2 ASP 108.A OD1 no hydrogen 3.048 N/A ARG 139.A NH2 ASP 108.A OD2 no hydrogen 3.201 N/A ARG 139.A NH2 LYS 175.A O no hydrogen 2.929 N/A ILE 140.A N VAL 137.A O no hydrogen 3.155 N/A ALA 141.A N VAL 137.A O no hydrogen 2.879 N/A HIS 142.A N TYR 138.A O no hydrogen 2.833 N/A HIS 142.A ND1 PRO 170.A O no hydrogen 2.761 N/A VAL 143.A N ILE 140.A O no hydrogen 2.931 N/A LEU 144.A N ILE 140.A O no hydrogen 3.387 N/A TYR 145.A N ALA 141.A O no hydrogen 3.046 N/A TYR 145.A OH GLU 190.A OE1 no hydrogen 2.610 N/A GLU 146.A N HIS 142.A O no hydrogen 2.853 N/A CYS 147.A N VAL 143.A O no hydrogen 2.942 N/A CYS 147.A N LEU 144.A O no hydrogen 3.083 N/A CYS 147.A SG CYS 90.A O no hydrogen 3.937 N/A CYS 147.A SG VAL 143.A O no hydrogen 3.099 N/A GLY 148.A N TYR 145.A O no hydrogen 2.888 N/A GLU 149.A N LEU 144.A O no hydrogen 3.082 N/A ARG 150.A NH1 TYR 145.A O no hydrogen 2.894 N/A ARG 150.A NH1 GLU 149.A O no hydrogen 2.799 N/A TYR 151.A N GLU 149.A OE2 no hydrogen 3.092 N/A TYR 152.A N GLU 149.A OE2 no hydrogen 2.787 N/A TYR 152.A OH GLU 39.A OE2 no hydrogen 2.604 N/A CYS 153.A N GLU 149.A OE1 no hydrogen 2.864 N/A CYS 153.A SG GLU 149.A O no hydrogen 3.340 N/A CYS 153.A SG GLU 149.A OE1 no hydrogen 3.504 N/A ARG 154.A NE GLU 158.A OE2 no hydrogen 2.919 N/A ARG 154.A NH2 GLU 158.A OE2 no hydrogen 3.315 N/A GLU 155.A N TYR 151.A O no hydrogen 3.091 N/A MET 156.A N TYR 152.A O no hydrogen 2.730 N/A MET 157.A N CYS 153.A O no hydrogen 3.233 N/A GLU 158.A N ARG 154.A O no hydrogen 2.832 N/A SER 159.A N GLU 155.A O no hydrogen 3.112 N/A VAL 160.A N MET 156.A O no hydrogen 3.291 N/A HIS 161.A N MET 157.A O no hydrogen 2.805 N/A SER 162.A N GLU 158.A O no hydrogen 2.946 N/A SER 162.A OG GLU 158.A O no hydrogen 3.193 N/A TYR 163.A N SER 159.A O no hydrogen 3.031 N/A THR 164.A N VAL 160.A O no hydrogen 2.829 N/A THR 164.A OG1 VAL 160.A O no hydrogen 2.730 N/A SER 165.A N HIS 161.A O no hydrogen 2.833 N/A ILE 166.A N THR 164.A OG1 no hydrogen 3.160 N/A ASP 167.A N VAL 186.A O no hydrogen 2.971 N/A HIS 169.A N ILE 188.A O no hydrogen 2.943 N/A ALA 172.A N HIS 169.A O no hydrogen 3.034 N/A SER 173.A N ALA 192.A O no hydrogen 2.960 N/A ILE 174.A N TYR 138.A OH no hydrogen 3.094 N/A LYS 175.A N ILE 194.A O no hydrogen 2.950 N/A HIS 177.A N THR 107.A OG1 no hydrogen 2.919 N/A PHE 178.A N ASP 108.A OD1 no hydrogen 2.855 N/A PHE 179.A N CYS 198.A O no hydrogen 3.068 N/A ASP 181.A N ILE 200.A O no hydrogen 2.941 N/A GLY 185.A N SER 165.A O no hydrogen 3.061 N/A VAL 186.A N GLY 183.A O no hydrogen 3.002 N/A VAL 187.A N VAL 204.A O no hydrogen 2.819 N/A ILE 188.A N ASP 167.A O no hydrogen 2.815 N/A GLY 189.A N LEU 206.A O no hydrogen 2.998 N/A THR 191.A N HIS 225.A ND1 no hydrogen 3.086 N/A THR 191.A OG1 HIS 225.A ND1 no hydrogen 2.962 N/A ALA 192.A N GLY 189.A O no hydrogen 2.974 N/A ILE 193.A N PRO 226.A O no hydrogen 3.099 N/A ILE 194.A N SER 173.A O no hydrogen 2.732 N/A GLY 195.A N VAL 228.A O no hydrogen 2.916 N/A GLU 196.A N ASP 230.A OD1 no hydrogen 2.734 N/A TRP 197.A N GLY 176.A O no hydrogen 3.123 N/A CYS 198.A SG VAL 232.A O no hydrogen 3.696 N/A ARG 199.A N VAL 232.A O no hydrogen 2.956 N/A ILE 200.A N PHE 179.A O no hydrogen 2.889 N/A TYR 201.A N ILE 234.A O no hydrogen 3.212 N/A GLN 202.A N GLN 202.A OE1 no hydrogen 2.728 N/A SER 203.A N VAL 184.A O no hydrogen 2.760 N/A THR 205.A N ALA 238.A O no hydrogen 2.992 N/A LEU 206.A N VAL 187.A O no hydrogen 2.773 N/A GLY 207.A N VAL 240.A O no hydrogen 2.867 N/A ARG 220.A NH1 ILE 218.A O no hydrogen 2.770 N/A THR 222.A OG1 GLY 221.A O no hydrogen 2.618 N/A LYS 223.A NZ THR 191.A O no hydrogen 3.071 N/A LYS 223.A NZ HIS 225.A O no hydrogen 2.750 N/A LYS 223.A NZ THR 227.A OG1 no hydrogen 2.660 N/A ARG 224.A N THR 191.A OG1 no hydrogen 2.925 N/A ARG 224.A NH1 THR 222.A O no hydrogen 2.849 N/A ARG 224.A NH2 GLU 190.A OE2 no hydrogen 2.882 N/A HIS 225.A N THR 191.A OG1 no hydrogen 3.094 N/A HIS 225.A ND1 THR 191.A OG1 no hydrogen 2.962 N/A THR 227.A N ILE 244.A O no hydrogen 2.831 N/A VAL 228.A N ILE 193.A O no hydrogen 2.689 N/A GLY 229.A N VAL 246.A O no hydrogen 2.963 N/A ASP 230.A N SER 248.A OG no hydrogen 2.794 N/A TYR 231.A N GLU 196.A O no hydrogen 2.915 N/A THR 233.A N VAL 250.A O no hydrogen 3.036 N/A ILE 234.A N ARG 199.A O no hydrogen 2.897 N/A GLY 235.A N ILE 252.A O no hydrogen 2.815 N/A GLY 237.A N GLN 202.A O no hydrogen 3.084 N/A ALA 238.A N GLY 235.A O no hydrogen 3.182 N/A LYS 239.A N CYS 256.A O no hydrogen 2.766 N/A LYS 239.A NZ SER 203.A O no hydrogen 3.407 N/A LYS 239.A NZ GLY 237.A O no hydrogen 2.671 N/A VAL 240.A N THR 205.A O no hydrogen 2.798 N/A LEU 241.A N ILE 258.A O no hydrogen 2.939 N/A GLY 242.A N GLY 207.A O no hydrogen 2.897 N/A ILE 245.A N ASP 261.A OD1 no hydrogen 2.836 N/A VAL 246.A N THR 227.A O no hydrogen 2.815 N/A GLY 247.A N VAL 262.A O no hydrogen 2.768 N/A SER 248.A N SER 264.A OG no hydrogen 2.847 N/A HIS 249.A N ASP 230.A O no hydrogen 2.802 N/A ARG 251.A N GLN 266.A O no hydrogen 3.035 N/A ILE 252.A N THR 233.A O no hydrogen 2.818 N/A GLY 253.A N VAL 268.A O no hydrogen 2.734 N/A ASN 255.A N THR 236.A O no hydrogen 2.927 N/A CYS 256.A N GLY 253.A O no hydrogen 3.298 N/A CYS 256.A SG GLY 253.A O no hydrogen 3.224 N/A CYS 256.A SG VAL 268.A O no hydrogen 3.949 N/A ILE 258.A N LYS 239.A O no hydrogen 2.758 N/A ARG 260.A NH2 ASP 261.A OD1 no hydrogen 2.555 N/A VAL 262.A N ILE 245.A O no hydrogen 2.966 N/A ASN 265.A N SER 248.A O no hydrogen 2.864 N/A VAL 268.A N ARG 251.A O no hydrogen 2.871 N/A